Complet list of 1wr1 con file
Complete list of 1wr1.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 303
C A 0001 MET C 2.497 C A 0002 GLN CA
C A 0001 MET C 3.627 C A 0002 GLN C
C A 0001 MET C 3.424 C A 0002 GLN CB
C A 0002 GLN C 2.494 E A 0003 ILE CA
C A 0002 GLN C 3.667 E A 0003 ILE C
C A 0002 GLN C 3.362 E A 0003 ILE CB
C A 0002 GLN C 3.286 E A 0003 ILE CG2
C A 0002 GLN CG 3.711 C A 0064 GLU CG
C A 0002 GLN CD 3.783 C A 0064 GLU CG
E A 0003 ILE C 2.481 E A 0004 PHE CA
E A 0003 ILE C 3.554 E A 0004 PHE C
E A 0003 ILE C 3.476 E A 0004 PHE CB
E A 0003 ILE C 3.652 E A 0004 PHE CG
E A 0003 ILE C 3.369 E A 0004 PHE CD1
E A 0003 ILE CD1 3.676 E A 0005 VAL CG2
E A 0003 ILE CG1 3.553 C A 0017 VAL CG2
E A 0004 PHE C 2.486 E A 0005 VAL CA
E A 0004 PHE C 3.621 E A 0005 VAL C
E A 0004 PHE C 3.453 E A 0005 VAL CB
E A 0004 PHE C 3.387 E A 0005 VAL CG2
E A 0004 PHE CE2 3.590 E A 0014 THR CG2
E A 0004 PHE CZ 3.687 E A 0014 THR CG2
E A 0004 PHE CE1 3.741 C A 0064 GLU CA
E A 0005 VAL C 2.478 E A 0006 LYS CA
E A 0005 VAL C 3.554 E A 0006 LYS C
E A 0005 VAL C 3.427 E A 0006 LYS CB
E A 0005 VAL CG2 3.565 E A 0015 LEU CD1
E A 0005 VAL CG1 3.509 E A 0069 LEU CD2
E A 0006 LYS C 2.479 C A 0007 THR CA
E A 0006 LYS C 3.154 C A 0007 THR C
E A 0006 LYS C 3.776 C A 0007 THR CB
E A 0006 LYS CD 3.772 C A 0010 GLY C
E A 0006 LYS CE 3.604 C A 0010 GLY CA
E A 0006 LYS CE 3.491 C A 0010 GLY C
E A 0006 LYS CB 3.765 E A 0068 HIS CD2
E A 0006 LYS C 3.534 E A 0069 LEU CD2
C A 0007 THR C 2.483 C A 0008 LEU CA
C A 0007 THR C 3.169 C A 0008 LEU C
C A 0007 THR C 3.745 C A 0008 LEU CB
C A 0008 LEU C 2.497 C A 0009 THR CA
C A 0008 LEU C 3.198 C A 0009 THR C
C A 0008 LEU C 3.755 C A 0009 THR CB
C A 0009 THR C 2.491 C A 0010 GLY CA
C A 0009 THR C 3.729 C A 0010 GLY C
C A 0010 GLY C 2.508 C A 0011 LYS CA
C A 0010 GLY C 3.234 C A 0011 LYS C
C A 0010 GLY C 3.716 C A 0011 LYS CB
C A 0011 LYS C 2.495 E A 0012 THR CA
C A 0011 LYS C 3.439 E A 0012 THR C
C A 0011 LYS C 3.642 E A 0012 THR CB
E A 0012 THR C 2.511 E A 0013 ILE CA
E A 0012 THR C 3.308 E A 0013 ILE C
E A 0012 THR C 3.724 E A 0013 ILE CB
E A 0013 ILE C 2.500 E A 0014 THR CA
E A 0013 ILE C 3.604 E A 0014 THR C
E A 0013 ILE C 3.476 E A 0014 THR CB
E A 0013 ILE CG2 3.653 C A 0033 LYS CB
E A 0013 ILE CG2 3.607 C A 0033 LYS CG
E A 0013 ILE CD1 3.510 C A 0034 GLU CG
E A 0014 THR C 2.496 E A 0015 LEU CA
E A 0014 THR C 3.658 E A 0015 LEU C
E A 0014 THR C 3.417 E A 0015 LEU CB
E A 0014 THR C 3.545 E A 0015 LEU CG
E A 0015 LEU C 2.498 C A 0016 GLU CA
E A 0015 LEU C 3.511 C A 0016 GLU C
E A 0015 LEU C 3.546 C A 0016 GLU CB
E A 0015 LEU CD1 3.686 H A 0029 LYS CB
E A 0015 LEU CD2 3.760 H A 0029 LYS C
E A 0015 LEU CD2 3.363 H A 0029 LYS CB
E A 0015 LEU CD1 3.764 H A 0030 ILE CD1
E A 0015 LEU CD2 3.615 C A 0033 LYS CG
C A 0016 GLU C 2.516 C A 0017 VAL CA
C A 0016 GLU C 3.662 C A 0017 VAL C
C A 0016 GLU C 3.466 C A 0017 VAL CB
C A 0016 GLU C 3.578 C A 0017 VAL CG1
C A 0017 VAL C 2.505 C A 0018 GLU CA
C A 0017 VAL C 3.498 C A 0018 GLU C
C A 0017 VAL C 3.578 C A 0018 GLU CB
C A 0017 VAL CB 3.755 C A 0021 ASP CG
C A 0017 VAL CG2 3.479 H A 0056 LEU CD1
C A 0018 GLU C 2.473 C A 0019 SER CA
C A 0018 GLU C 3.113 C A 0019 SER C
C A 0018 GLU C 3.737 C A 0019 SER CB
C A 0019 SER C 2.514 C A 0020 SER CA
C A 0019 SER C 3.416 C A 0020 SER C
C A 0019 SER C 3.685 C A 0020 SER CB
C A 0020 SER C 2.468 C A 0021 ASP CA
C A 0020 SER C 3.024 C A 0021 ASP C
C A 0020 SER C 3.777 C A 0021 ASP CB
C A 0021 ASP C 2.464 H A 0022 THR CA
C A 0021 ASP C 3.216 H A 0022 THR C
C A 0021 ASP C 3.735 H A 0022 THR CB
H A 0022 THR C 2.479 H A 0023 ILE CA
H A 0022 THR C 3.035 H A 0023 ILE C
H A 0022 THR C 3.739 H A 0023 ILE CB
H A 0023 ILE C 2.489 H A 0024 ASP CA
H A 0023 ILE C 3.055 H A 0024 ASP C
H A 0023 ILE C 3.724 H A 0024 ASP CB
H A 0023 ILE CD1 3.656 C A 0050 LEU CD1
H A 0024 ASP C 2.475 H A 0025 ASN CA
H A 0024 ASP C 3.109 H A 0025 ASN C
H A 0024 ASP C 3.738 H A 0025 ASN CB
H A 0025 ASN C 2.480 H A 0026 VAL CA
H A 0025 ASN C 3.122 H A 0026 VAL C
H A 0025 ASN C 3.758 H A 0026 VAL CB
H A 0026 VAL C 2.497 H A 0027 LYS CA
H A 0026 VAL C 3.008 H A 0027 LYS C
H A 0026 VAL C 3.746 H A 0027 LYS CB
H A 0026 VAL CG1 3.719 E A 0043 LEU CD1
H A 0026 VAL CG2 3.706 H A 0056 LEU CD2
H A 0027 LYS C 2.493 H A 0028 SER CA
H A 0027 LYS C 3.160 H A 0028 SER C
H A 0027 LYS C 3.729 H A 0028 SER CB
H A 0027 LYS CA 3.615 H A 0030 ILE CD1
H A 0027 LYS CB 3.668 C A 0038 PRO CB
H A 0027 LYS CB 3.641 E A 0041 GLN CD
H A 0027 LYS CE 3.682 E A 0042 ARG CA
H A 0028 SER C 2.474 H A 0029 LYS CA
H A 0028 SER C 3.254 H A 0029 LYS C
H A 0028 SER C 3.727 H A 0029 LYS CB
H A 0029 LYS C 2.494 H A 0030 ILE CA
H A 0029 LYS C 3.062 H A 0030 ILE C
H A 0029 LYS C 3.788 H A 0030 ILE CB
H A 0030 ILE C 2.476 H A 0031 GLN CA
H A 0030 ILE C 3.122 H A 0031 GLN C
H A 0030 ILE C 3.719 H A 0031 GLN CB
H A 0031 GLN C 2.492 C A 0032 ASP CA
H A 0031 GLN C 3.327 C A 0032 ASP C
H A 0031 GLN C 3.682 C A 0032 ASP CB
H A 0031 GLN CA 3.785 C A 0035 GLY CA
C A 0032 ASP C 2.518 C A 0033 LYS CA
C A 0032 ASP C 3.483 C A 0033 LYS C
C A 0032 ASP C 3.645 C A 0033 LYS CB
C A 0032 ASP C 3.785 C A 0033 LYS CG
C A 0032 ASP C 3.740 C A 0033 LYS CD
C A 0033 LYS C 2.508 C A 0034 GLU CA
C A 0033 LYS C 3.660 C A 0034 GLU C
C A 0033 LYS C 3.462 C A 0034 GLU CB
C A 0033 LYS C 3.586 C A 0034 GLU CG
C A 0034 GLU C 2.485 C A 0035 GLY CA
C A 0034 GLU C 3.411 C A 0035 GLY C
C A 0034 GLU CB 3.764 C A 0036 ILE CD1
C A 0035 GLY C 2.499 C A 0036 ILE CA
C A 0035 GLY C 3.128 C A 0036 ILE C
C A 0035 GLY C 3.766 C A 0036 ILE CB
C A 0036 ILE CA 2.950 C A 0037 PRO CD
C A 0036 ILE C 2.468 C A 0037 PRO CA
C A 0036 ILE C 3.126 C A 0037 PRO C
C A 0036 ILE C 3.685 C A 0037 PRO CB
C A 0036 ILE C 3.696 C A 0037 PRO CG
C A 0036 ILE C 2.492 C A 0037 PRO CD
C A 0036 ILE CG2 3.779 C A 0037 PRO CD
C A 0037 PRO CA 2.976 C A 0038 PRO CD
C A 0037 PRO C 2.485 C A 0038 PRO CA
C A 0037 PRO C 3.202 C A 0038 PRO C
C A 0037 PRO C 3.695 C A 0038 PRO CB
C A 0037 PRO C 3.695 C A 0038 PRO CG
C A 0037 PRO C 2.505 C A 0038 PRO CD
C A 0037 PRO CG 3.793 C A 0040 GLN CD
C A 0038 PRO C 2.475 C A 0039 ASP CA
C A 0038 PRO C 3.363 C A 0039 ASP C
C A 0038 PRO C 3.642 C A 0039 ASP CB
C A 0039 ASP C 2.475 C A 0040 GLN CA
C A 0039 ASP C 3.309 C A 0040 GLN C
C A 0039 ASP C 3.679 C A 0040 GLN CB
C A 0040 GLN C 2.469 E A 0041 GLN CA
C A 0040 GLN C 3.340 E A 0041 GLN C
C A 0040 GLN C 3.661 E A 0041 GLN CB
C A 0040 GLN CA 3.560 C A 0072 ARG CD
C A 0040 GLN CB 3.724 C A 0073 LEU CD2
C A 0040 GLN CG 3.458 C A 0073 LEU CD2
E A 0041 GLN C 2.560 E A 0042 ARG CA
E A 0041 GLN C 3.618 E A 0042 ARG C
E A 0041 GLN C 3.518 E A 0042 ARG CB
E A 0041 GLN C 3.606 E A 0042 ARG CG
E A 0042 ARG C 2.481 E A 0043 LEU CA
E A 0042 ARG C 3.565 E A 0043 LEU C
E A 0042 ARG C 3.506 E A 0043 LEU CB
E A 0042 ARG C 3.660 E A 0043 LEU CG
E A 0043 LEU C 2.514 E A 0044 ILE CA
E A 0043 LEU C 3.625 E A 0044 ILE C
E A 0043 LEU C 3.511 E A 0044 ILE CB
E A 0043 LEU C 3.591 E A 0044 ILE CG1
E A 0043 LEU CD2 3.688 E A 0069 LEU CB
E A 0044 ILE C 2.498 E A 0045 PHE CA
E A 0044 ILE C 3.680 E A 0045 PHE C
E A 0044 ILE C 3.378 E A 0045 PHE CB
E A 0044 ILE CG2 3.712 C A 0047 GLY C
E A 0044 ILE CD1 3.763 E A 0049 GLN CA
E A 0044 ILE CG1 3.502 E A 0070 VAL CG2
E A 0045 PHE C 2.503 C A 0046 ALA CA
E A 0045 PHE C 3.067 C A 0046 ALA C
E A 0045 PHE C 3.205 C A 0046 ALA CB
E A 0045 PHE CD2 3.316 C A 0061 ILE CD1
E A 0045 PHE CE2 3.561 C A 0061 ILE CD1
E A 0045 PHE CB 3.644 E A 0067 LEU CD1
E A 0045 PHE CG 3.331 E A 0067 LEU CD1
E A 0045 PHE CD1 3.197 E A 0067 LEU CD1
E A 0045 PHE CE1 3.723 E A 0067 LEU CD1
C A 0046 ALA C 2.508 C A 0047 GLY CA
C A 0046 ALA C 3.319 C A 0047 GLY C
C A 0047 GLY C 2.503 E A 0048 LYS CA
C A 0047 GLY C 3.310 E A 0048 LYS C
C A 0047 GLY C 3.676 E A 0048 LYS CB
E A 0048 LYS C 2.488 E A 0049 GLN CA
E A 0048 LYS C 3.198 E A 0049 GLN C
E A 0048 LYS C 3.711 E A 0049 GLN CB
E A 0049 GLN C 2.491 C A 0050 LEU CA
E A 0049 GLN C 3.255 C A 0050 LEU C
E A 0049 GLN C 3.712 C A 0050 LEU CB
C A 0050 LEU C 2.492 C A 0051 GLU CA
C A 0050 LEU C 3.363 C A 0051 GLU C
C A 0050 LEU C 3.648 C A 0051 GLU CB
C A 0050 LEU CD2 3.760 H A 0059 TYR CD1
C A 0050 LEU CD2 3.709 H A 0059 TYR CE1
C A 0050 LEU CD2 3.727 H A 0059 TYR CZ
C A 0051 GLU C 2.499 C A 0052 ASP CA
C A 0051 GLU C 3.141 C A 0052 ASP C
C A 0051 GLU C 3.751 C A 0052 ASP CB
C A 0052 ASP C 2.483 C A 0053 GLY CA
C A 0052 ASP C 3.319 C A 0053 GLY C
C A 0053 GLY C 2.484 C A 0054 ARG CA
C A 0053 GLY C 3.251 C A 0054 ARG C
C A 0053 GLY C 3.723 C A 0054 ARG CB
C A 0054 ARG C 2.481 C A 0055 THR CA
C A 0054 ARG C 3.371 C A 0055 THR C
C A 0054 ARG C 3.669 C A 0055 THR CB
C A 0054 ARG CD 3.680 H A 0058 ASP CG
C A 0054 ARG CB 3.546 H A 0059 TYR CE2
C A 0055 THR C 2.460 H A 0056 LEU CA
C A 0055 THR C 3.107 H A 0056 LEU C
C A 0055 THR C 3.688 H A 0056 LEU CB
H A 0056 LEU C 2.491 H A 0057 SER CA
H A 0056 LEU C 3.094 H A 0057 SER C
H A 0056 LEU C 3.742 H A 0057 SER CB
H A 0056 LEU CA 3.779 C A 0061 ILE CG1
H A 0056 LEU C 3.761 C A 0061 ILE CB
H A 0056 LEU CB 3.788 C A 0061 ILE CB
H A 0057 SER C 2.495 H A 0058 ASP CA
H A 0057 SER C 3.120 H A 0058 ASP C
H A 0057 SER C 3.760 H A 0058 ASP CB
H A 0058 ASP C 2.482 H A 0059 TYR CA
H A 0058 ASP C 3.497 H A 0059 TYR C
H A 0058 ASP C 3.537 H A 0059 TYR CB
H A 0058 ASP C 3.682 H A 0059 TYR CG
H A 0059 TYR C 2.510 H A 0060 ASN CA
H A 0059 TYR C 3.108 H A 0060 ASN C
H A 0059 TYR C 3.204 H A 0060 ASN CB
H A 0060 ASN C 2.500 C A 0061 ILE CA
H A 0060 ASN C 3.014 C A 0061 ILE C
H A 0060 ASN C 3.747 C A 0061 ILE CB
C A 0061 ILE C 2.484 C A 0062 GLN CA
C A 0061 ILE C 3.487 C A 0062 GLN C
C A 0061 ILE C 3.568 C A 0062 GLN CB
C A 0061 ILE C 3.729 C A 0062 GLN CG
C A 0061 ILE CD1 3.794 E A 0067 LEU CG
C A 0061 ILE CD1 3.598 E A 0067 LEU CD1
C A 0062 GLN C 2.445 C A 0063 LYS CA
C A 0062 GLN C 3.021 C A 0063 LYS C
C A 0062 GLN C 3.760 C A 0063 LYS CB
C A 0063 LYS C 2.492 C A 0064 GLU CA
C A 0063 LYS C 3.141 C A 0064 GLU C
C A 0063 LYS C 3.201 C A 0064 GLU CB
C A 0063 LYS C 3.676 C A 0064 GLU CG
C A 0064 GLU C 2.475 E A 0065 SER CA
C A 0064 GLU C 3.058 E A 0065 SER C
C A 0064 GLU C 3.768 E A 0065 SER CB
E A 0065 SER C 2.502 E A 0066 THR CA
E A 0065 SER C 3.518 E A 0066 THR C
E A 0065 SER C 3.571 E A 0066 THR CB
E A 0065 SER C 3.736 E A 0066 THR CG2
E A 0065 SER CB 3.772 E A 0067 LEU CD2
E A 0066 THR C 2.481 E A 0067 LEU CA
E A 0066 THR C 3.285 E A 0067 LEU C
E A 0066 THR C 3.680 E A 0067 LEU CB
E A 0066 THR C 3.762 E A 0067 LEU CD1
E A 0067 LEU C 2.474 E A 0068 HIS CA
E A 0067 LEU C 3.584 E A 0068 HIS C
E A 0067 LEU C 3.451 E A 0068 HIS CB
E A 0067 LEU C 3.668 E A 0068 HIS CG
E A 0068 HIS C 2.480 E A 0069 LEU CA
E A 0068 HIS C 3.572 E A 0069 LEU C
E A 0068 HIS C 3.483 E A 0069 LEU CB
E A 0069 LEU C 2.518 E A 0070 VAL CA
E A 0069 LEU C 3.617 E A 0070 VAL C
E A 0069 LEU C 3.454 E A 0070 VAL CB
E A 0069 LEU C 3.500 E A 0070 VAL CG2
E A 0070 VAL C 2.451 E A 0071 LEU CA
E A 0070 VAL C 3.234 E A 0071 LEU C
E A 0070 VAL C 3.667 E A 0071 LEU CB
E A 0071 LEU C 2.519 C A 0072 ARG CA
E A 0071 LEU C 3.211 C A 0072 ARG C
E A 0071 LEU C 3.760 C A 0072 ARG CB
C A 0072 ARG C 2.525 C A 0073 LEU CA
C A 0072 ARG C 3.609 C A 0073 LEU C
C A 0072 ARG C 3.523 C A 0073 LEU CB
C A 0073 LEU C 2.555 C A 0074 ARG CA
C A 0073 LEU C 3.250 C A 0074 ARG C
C A 0073 LEU C 3.200 C A 0074 ARG CB
C A 0074 ARG C 2.489 C A 0075 GLY CA
C A 0074 ARG C 3.285 C A 0075 GLY C
C A 0075 GLY C 2.508 C A 0076 GLY CA
C A 0075 GLY C 3.782 C A 0076 GLY C
CHARGE_ATTR 2.00 12.00 62
C A 0016 GLU OE1 10.51 H A 0029 LYS NZ
C A 0016 GLU OE2 9.060 H A 0029 LYS NZ
C A 0016 GLU OE1 8.839 C A 0033 LYS NZ
C A 0016 GLU OE2 9.235 C A 0033 LYS NZ
C A 0018 GLU OE1 10.39 H A 0029 LYS NZ
C A 0018 GLU OE2 8.600 H A 0029 LYS NZ
C A 0021 ASP OD1 4.688 H A 0029 LYS NZ
C A 0021 ASP OD2 2.790 H A 0029 LYS NZ
H A 0024 ASP OD1 6.599 H A 0027 LYS NZ
H A 0024 ASP OD2 8.153 H A 0027 LYS NZ
H A 0024 ASP OD1 9.615 H A 0029 LYS NZ
H A 0024 ASP OD2 7.977 H A 0029 LYS NZ
H A 0024 ASP OD1 10.63 C A 0072 ARG NH1
C A 0032 ASP OD1 10.31 H A 0029 LYS NZ
C A 0032 ASP OD2 9.934 H A 0029 LYS NZ
C A 0032 ASP OD1 6.531 C A 0033 LYS NZ
C A 0032 ASP OD2 4.381 C A 0033 LYS NZ
C A 0034 GLU OE1 4.639 C A 0011 LYS NZ
C A 0034 GLU OE2 2.751 C A 0011 LYS NZ
C A 0034 GLU OE1 10.41 C A 0033 LYS NZ
C A 0034 GLU OE2 9.278 C A 0033 LYS NZ
C A 0039 ASP OD1 7.212 H A 0027 LYS NZ
C A 0039 ASP OD2 8.897 H A 0027 LYS NZ
C A 0039 ASP OD1 11.13 E A 0042 ARG NH1
C A 0039 ASP OD1 9.481 E A 0042 ARG NH2
C A 0039 ASP OD2 11.89 E A 0042 ARG NH1
C A 0039 ASP OD2 10.10 E A 0042 ARG NH2
C A 0039 ASP OD1 3.960 C A 0072 ARG NH1
C A 0039 ASP OD1 5.857 C A 0072 ARG NH2
C A 0039 ASP OD2 3.968 C A 0072 ARG NH1
C A 0039 ASP OD2 5.643 C A 0072 ARG NH2
C A 0051 GLU OE1 10.78 H A 0027 LYS NZ
C A 0051 GLU OE2 10.76 H A 0027 LYS NZ
C A 0051 GLU OE1 7.796 E A 0048 LYS NZ
C A 0051 GLU OE2 7.242 E A 0048 LYS NZ
C A 0051 GLU OE1 2.814 C A 0054 ARG NH1
C A 0051 GLU OE1 5.008 C A 0054 ARG NH2
C A 0051 GLU OE2 4.841 C A 0054 ARG NH1
C A 0051 GLU OE2 7.066 C A 0054 ARG NH2
C A 0052 ASP OD1 3.153 H A 0027 LYS NZ
C A 0052 ASP OD2 2.752 H A 0027 LYS NZ
C A 0052 ASP OD1 8.585 E A 0042 ARG NH1
C A 0052 ASP OD1 8.207 E A 0042 ARG NH2
C A 0052 ASP OD2 10.23 E A 0042 ARG NH1
C A 0052 ASP OD2 9.737 E A 0042 ARG NH2
C A 0052 ASP OD1 10.33 E A 0048 LYS NZ
C A 0052 ASP OD1 9.951 C A 0054 ARG NH1
C A 0052 ASP OD1 11.41 C A 0054 ARG NH2
C A 0052 ASP OD2 10.67 C A 0054 ARG NH1
C A 0052 ASP OD2 11.78 C A 0054 ARG NH2
C A 0052 ASP OD1 7.935 C A 0072 ARG NH1
C A 0052 ASP OD1 9.203 C A 0072 ARG NH2
C A 0052 ASP OD2 8.229 C A 0072 ARG NH1
C A 0052 ASP OD2 9.889 C A 0072 ARG NH2
H A 0058 ASP OD1 11.50 E A 0048 LYS NZ
H A 0058 ASP OD2 11.43 E A 0048 LYS NZ
H A 0058 ASP OD1 5.915 C A 0054 ARG NH1
H A 0058 ASP OD1 4.821 C A 0054 ARG NH2
H A 0058 ASP OD2 5.043 C A 0054 ARG NH1
H A 0058 ASP OD2 3.870 C A 0054 ARG NH2
C A 0064 GLU OE1 9.093 C A 0063 LYS NZ
C A 0064 GLU OE2 7.059 C A 0063 LYS NZ
CHARGE_REPU 2.00 12.00 60
E A 0006 LYS NZ 11.80 C A 0011 LYS NZ
E A 0006 LYS NZ 5.687 E A 0068 HIS ND1
E A 0006 LYS NZ 3.894 E A 0068 HIS NE2
C A 0011 LYS NZ 9.598 C A 0033 LYS NZ
C A 0016 GLU OE1 10.79 C A 0018 GLU OE1
C A 0016 GLU OE1 10.13 C A 0018 GLU OE2
C A 0016 GLU OE2 9.671 C A 0018 GLU OE1
C A 0016 GLU OE2 8.664 C A 0018 GLU OE2
C A 0016 GLU OE1 10.26 C A 0021 ASP OD1
C A 0016 GLU OE1 10.92 C A 0021 ASP OD2
C A 0016 GLU OE2 8.992 C A 0021 ASP OD1
C A 0016 GLU OE2 9.551 C A 0021 ASP OD2
C A 0016 GLU OE1 10.34 C A 0032 ASP OD2
C A 0016 GLU OE2 11.20 C A 0032 ASP OD1
C A 0016 GLU OE2 9.808 C A 0032 ASP OD2
C A 0018 GLU OE1 6.301 C A 0021 ASP OD1
C A 0018 GLU OE1 8.342 C A 0021 ASP OD2
C A 0018 GLU OE2 5.023 C A 0021 ASP OD1
C A 0018 GLU OE2 6.798 C A 0021 ASP OD2
C A 0021 ASP OD1 10.25 H A 0024 ASP OD2
C A 0021 ASP OD2 10.17 H A 0024 ASP OD1
C A 0021 ASP OD2 8.365 H A 0024 ASP OD2
H A 0024 ASP OD1 7.480 C A 0039 ASP OD1
H A 0024 ASP OD1 9.290 C A 0039 ASP OD2
H A 0024 ASP OD2 9.640 C A 0039 ASP OD1
H A 0024 ASP OD2 11.38 C A 0039 ASP OD2
H A 0024 ASP OD1 6.732 C A 0052 ASP OD1
H A 0024 ASP OD1 4.661 C A 0052 ASP OD2
H A 0024 ASP OD2 8.325 C A 0052 ASP OD1
H A 0024 ASP OD2 6.302 C A 0052 ASP OD2
H A 0027 LYS NZ 8.584 E A 0042 ARG NH1
H A 0027 LYS NZ 8.415 E A 0042 ARG NH2
H A 0027 LYS NZ 11.64 E A 0048 LYS NZ
H A 0027 LYS NZ 7.688 C A 0072 ARG NH1
H A 0027 LYS NZ 9.359 C A 0072 ARG NH2
H A 0029 LYS NZ 11.07 C A 0033 LYS NZ
C A 0032 ASP OD1 11.71 C A 0034 GLU OE1
C A 0032 ASP OD1 11.80 C A 0034 GLU OE2
C A 0032 ASP OD2 11.22 C A 0034 GLU OE1
C A 0032 ASP OD2 10.91 C A 0034 GLU OE2
C A 0039 ASP OD1 7.376 C A 0052 ASP OD1
C A 0039 ASP OD1 6.728 C A 0052 ASP OD2
C A 0039 ASP OD2 9.391 C A 0052 ASP OD1
C A 0039 ASP OD2 8.782 C A 0052 ASP OD2
E A 0042 ARG NH1 10.23 E A 0048 LYS NZ
E A 0042 ARG NH2 11.67 E A 0048 LYS NZ
E A 0042 ARG NH1 8.090 C A 0072 ARG NH1
E A 0042 ARG NH1 7.676 C A 0072 ARG NH2
E A 0042 ARG NH2 6.192 C A 0072 ARG NH1
E A 0042 ARG NH2 5.522 C A 0072 ARG NH2
E A 0048 LYS NZ 9.988 C A 0054 ARG NH1
E A 0048 LYS NZ 11.75 C A 0054 ARG NH2
C A 0051 GLU OE1 8.186 C A 0052 ASP OD1
C A 0051 GLU OE1 9.394 C A 0052 ASP OD2
C A 0051 GLU OE2 7.949 C A 0052 ASP OD1
C A 0051 GLU OE2 9.532 C A 0052 ASP OD2
C A 0051 GLU OE1 7.777 H A 0058 ASP OD1
C A 0051 GLU OE1 6.952 H A 0058 ASP OD2
C A 0051 GLU OE2 9.814 H A 0058 ASP OD1
C A 0051 GLU OE2 9.113 H A 0058 ASP OD2
HB_MM 2.00 3.20 124
C A 0002 GLN N 2.246 C A 0001 MET O
E A 0003 ILE N 2.249 C A 0002 GLN O
E A 0003 ILE N 3.021 E A 0015 LEU O
E A 0004 PHE N 2.237 E A 0003 ILE O
E A 0004 PHE N 2.830 E A 0065 SER O
E A 0005 VAL N 2.252 E A 0004 PHE O
E A 0005 VAL N 2.930 E A 0013 ILE O
E A 0006 LYS N 2.234 E A 0005 VAL O
E A 0006 LYS N 2.806 E A 0067 LEU O
C A 0007 THR N 2.234 E A 0006 LYS O
C A 0007 THR N 2.865 C A 0011 LYS O
C A 0008 LEU N 2.247 C A 0007 THR O
C A 0009 THR N 2.251 C A 0008 LEU O
C A 0010 GLY N 2.254 C A 0009 THR O
C A 0011 LYS N 2.244 C A 0010 GLY O
E A 0012 THR N 2.247 C A 0011 LYS O
E A 0013 ILE N 2.756 E A 0005 VAL O
E A 0013 ILE N 2.247 E A 0012 THR O
E A 0014 THR N 2.243 E A 0013 ILE O
E A 0015 LEU N 2.824 E A 0003 ILE O
E A 0015 LEU N 2.246 E A 0014 THR O
C A 0016 GLU N 2.244 E A 0015 LEU O
C A 0017 VAL N 2.252 C A 0016 GLU O
C A 0018 GLU N 2.235 C A 0017 VAL O
C A 0019 SER N 2.230 C A 0018 GLU O
C A 0020 SER N 2.987 C A 0018 GLU O
C A 0020 SER N 2.255 C A 0019 SER O
C A 0021 ASP N 2.977 C A 0018 GLU O
C A 0021 ASP N 2.244 C A 0020 SER O
H A 0022 THR N 2.249 C A 0021 ASP O
H A 0023 ILE N 2.233 H A 0022 THR O
H A 0023 ILE N 2.831 C A 0054 ARG O
H A 0024 ASP N 2.242 H A 0023 ILE O
H A 0024 ASP N 3.135 C A 0052 ASP O
H A 0025 ASN N 3.085 H A 0022 THR O
H A 0025 ASN N 2.249 H A 0024 ASP O
H A 0026 VAL N 2.933 H A 0022 THR O
H A 0026 VAL N 2.249 H A 0025 ASN O
H A 0027 LYS N 3.044 H A 0023 ILE O
H A 0027 LYS N 2.256 H A 0026 VAL O
H A 0028 SER N 3.171 H A 0024 ASP O
H A 0028 SER N 3.152 H A 0026 VAL O
H A 0028 SER N 2.252 H A 0027 LYS O
H A 0029 LYS N 2.877 H A 0026 VAL O
H A 0029 LYS N 3.183 H A 0027 LYS O
H A 0029 LYS N 2.248 H A 0028 SER O
H A 0030 ILE N 3.175 H A 0027 LYS O
H A 0030 ILE N 2.242 H A 0029 LYS O
H A 0031 GLN N 3.131 H A 0029 LYS O
H A 0031 GLN N 2.238 H A 0030 ILE O
C A 0032 ASP N 2.879 H A 0029 LYS O
C A 0032 ASP N 3.106 H A 0030 ILE O
C A 0032 ASP N 2.231 H A 0031 GLN O
C A 0033 LYS N 2.897 H A 0030 ILE O
C A 0033 LYS N 2.254 C A 0032 ASP O
C A 0034 GLU N 2.927 H A 0030 ILE O
C A 0034 GLU N 2.251 C A 0033 LYS O
C A 0035 GLY N 2.250 C A 0034 GLU O
C A 0036 ILE N 2.250 C A 0035 GLY O
C A 0037 PRO N 2.255 C A 0036 ILE O
C A 0038 PRO N 2.253 C A 0037 PRO O
C A 0039 ASP N 3.001 C A 0037 PRO O
C A 0039 ASP N 2.241 C A 0038 PRO O
C A 0040 GLN N 2.976 C A 0037 PRO O
C A 0040 GLN N 2.251 C A 0039 ASP O
E A 0041 GLN N 2.238 C A 0040 GLN O
E A 0042 ARG N 2.250 E A 0041 GLN O
E A 0042 ARG N 2.757 E A 0070 VAL O
E A 0043 LEU N 2.244 E A 0042 ARG O
E A 0044 ILE N 2.254 E A 0043 LEU O
E A 0044 ILE N 2.941 E A 0068 HIS O
E A 0045 PHE N 2.257 E A 0044 ILE O
E A 0045 PHE N 3.109 E A 0048 LYS O
C A 0046 ALA N 2.249 E A 0045 PHE O
C A 0047 GLY N 3.137 E A 0045 PHE O
C A 0047 GLY N 2.248 C A 0046 ALA O
E A 0048 LYS N 2.914 E A 0045 PHE O
E A 0048 LYS N 2.247 C A 0047 GLY O
E A 0049 GLN N 2.252 E A 0048 LYS O
C A 0050 LEU N 2.948 E A 0043 LEU O
C A 0050 LEU N 2.253 E A 0049 GLN O
C A 0051 GLU N 2.247 C A 0050 LEU O
C A 0052 ASP N 2.237 C A 0051 GLU O
C A 0053 GLY N 2.257 C A 0052 ASP O
C A 0054 ARG N 3.092 C A 0051 GLU O
C A 0054 ARG N 2.253 C A 0053 GLY O
C A 0055 THR N 2.250 C A 0054 ARG O
H A 0056 LEU N 3.079 C A 0021 ASP O
H A 0056 LEU N 2.236 C A 0055 THR O
H A 0057 SER N 3.008 C A 0019 SER O
H A 0057 SER N 2.242 H A 0056 LEU O
H A 0058 ASP N 2.243 H A 0057 SER O
H A 0059 TYR N 3.115 H A 0056 LEU O
H A 0059 TYR N 3.168 H A 0057 SER O
H A 0059 TYR N 2.253 H A 0058 ASP O
H A 0060 ASN N 2.968 H A 0057 SER O
H A 0060 ASN N 2.251 H A 0059 TYR O
C A 0061 ILE N 3.084 H A 0056 LEU O
C A 0061 ILE N 2.252 H A 0060 ASN O
C A 0062 GLN N 2.247 C A 0061 ILE O
C A 0063 LYS N 2.247 C A 0062 GLN O
C A 0064 GLU N 2.804 C A 0002 GLN O
C A 0064 GLU N 2.240 C A 0063 LYS O
E A 0065 SER N 3.122 C A 0063 LYS O
E A 0065 SER N 2.244 C A 0064 GLU O
E A 0066 THR N 2.249 E A 0065 SER O
E A 0067 LEU N 2.924 E A 0004 PHE O
E A 0067 LEU N 2.249 E A 0066 THR O
E A 0068 HIS N 3.187 E A 0044 ILE O
E A 0068 HIS N 2.238 E A 0067 LEU O
E A 0069 LEU N 3.018 E A 0006 LYS O
E A 0069 LEU N 2.262 E A 0068 HIS O
E A 0070 VAL N 2.836 E A 0042 ARG O
E A 0070 VAL N 2.253 E A 0069 LEU O
E A 0071 LEU N 2.233 E A 0070 VAL O
C A 0072 ARG N 2.853 C A 0040 GLN O
C A 0072 ARG N 2.253 E A 0071 LEU O
C A 0073 LEU N 3.107 E A 0071 LEU O
C A 0073 LEU N 2.255 C A 0072 ARG O
C A 0074 ARG N 2.989 E A 0071 LEU O
C A 0074 ARG N 2.257 C A 0073 LEU O
C A 0075 GLY N 2.827 C A 0073 LEU O
C A 0075 GLY N 2.243 C A 0074 ARG O
C A 0076 GLY N 2.253 C A 0075 GLY O
HB_MS 2.00 3.20 16
C A 0010 GLY N 2.898 C A 0007 THR OG1
C A 0011 LYS N 3.005 C A 0007 THR OG1
C A 0018 GLU N 2.851 C A 0021 ASP OD1
H A 0024 ASP O 2.865 H A 0028 SER OG
H A 0025 ASN N 3.046 H A 0022 THR OG1
H A 0025 ASN O 2.902 H A 0029 LYS NZ
H A 0027 LYS O 2.997 E A 0041 GLN NE2
C A 0039 ASP O 2.914 C A 0072 ARG NH1
E A 0041 GLN O 2.911 H A 0027 LYS NZ
E A 0049 GLN O 2.843 E A 0048 LYS NZ
C A 0051 GLU N 3.080 H A 0059 TYR OH
C A 0055 THR N 2.913 H A 0058 ASP OD2
H A 0058 ASP N 2.972 C A 0055 THR OG1
H A 0060 ASN O 2.899 C A 0062 GLN NE2
C A 0062 GLN N 3.029 E A 0065 SER OG
C A 0062 GLN O 3.088 E A 0065 SER OG
HB_SS 2.00 3.20 3
H A 0025 ASN ND2 3.123 H A 0022 THR OG1
E A 0042 ARG NH1 2.864 E A 0049 GLN OE1
H A 0058 ASP OD2 3.041 C A 0055 THR OG1
AROMATIC 0.00 8.00 2
E A 0006 LYS 4.989 E A 0068 HIS
E A 0048 LYS 6.427 H A 0059 TYR
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 12
C A 0008 LEU CD2 3.742 H B 0361 VAL CG1
C A 0008 LEU CD1 3.502 H B 0362 GLN CG
C A 0047 GLY CA 3.289 C B 0344 PHE CE2
C A 0047 GLY CA 3.532 C B 0344 PHE CZ
E A 0068 HIS CE1 3.547 H B 0341 ASP C
E A 0068 HIS CE1 3.513 H B 0341 ASP CG
E A 0068 HIS CB 3.630 H B 0342 MET CG
E A 0068 HIS CG 3.261 H B 0342 MET CG
E A 0068 HIS CD2 3.389 H B 0342 MET CG
E A 0070 VAL CG1 3.629 H B 0362 GLN CG
E A 0070 VAL CG1 3.505 H B 0362 GLN CD
E A 0070 VAL CG2 3.450 H B 0362 GLN CD
CHARGE_ATTR 2.00 12.00 11
E A 0006 LYS NZ 5.008 H B 0341 ASP OD1
E A 0006 LYS NZ 2.843 H B 0341 ASP OD2
E A 0042 ARG NH1 7.346 H B 0366 ASP OD1
E A 0042 ARG NH1 9.170 H B 0366 ASP OD2
E A 0042 ARG NH2 8.878 H B 0366 ASP OD1
E A 0042 ARG NH2 10.57 H B 0366 ASP OD2
E A 0048 LYS NZ 11.13 H B 0366 ASP OD1
E A 0068 HIS ND1 5.257 H B 0341 ASP OD1
E A 0068 HIS ND1 4.600 H B 0341 ASP OD2
E A 0068 HIS NE2 4.833 H B 0341 ASP OD1
E A 0068 HIS NE2 3.449 H B 0341 ASP OD2
CHARGE_REPU 2.00 12.00 6
E A 0006 LYS NZ 10.86 H B 0334 HIS ND1
E A 0006 LYS NZ 9.839 H B 0334 HIS NE2
E A 0006 LYS NZ 10.18 H B 0337 ARG NH1
E A 0006 LYS NZ 11.58 H B 0337 ARG NH2
C A 0074 ARG NH2 10.65 H B 0334 HIS ND1
C A 0074 ARG NH2 11.81 H B 0334 HIS NE2
HB_MM 2.00 3.20 1
C A 0047 GLY N 2.838 H B 0342 MET O
HB_MS 2.00 3.20 2
C A 0007 THR O 2.878 H B 0338 GLN NE2
C A 0008 LEU O 2.845 H B 0338 GLN NE2
HB_SS 2.00 3.20 1
E A 0006 LYS NZ 2.774 H B 0338 GLN OE1
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 194
C B 0316 PRO C 2.490 C B 0317 GLY CA
C B 0316 PRO C 3.322 C B 0317 GLY C
C B 0317 GLY C 2.502 C B 0318 ILE CA
C B 0317 GLY C 3.201 C B 0318 ILE C
C B 0317 GLY C 3.765 C B 0318 ILE CB
C B 0318 ILE C 2.517 C B 0319 SER CA
C B 0318 ILE C 3.191 C B 0319 SER C
C B 0318 ILE C 3.155 C B 0319 SER CB
C B 0319 SER C 2.497 C B 0320 GLY CA
C B 0319 SER C 3.782 C B 0320 GLY C
C B 0320 GLY C 2.484 C B 0321 GLY CA
C B 0320 GLY C 3.185 C B 0321 GLY C
C B 0321 GLY C 2.487 C B 0322 GLY CA
C B 0321 GLY C 3.779 C B 0322 GLY C
C B 0322 GLY C 2.489 H B 0323 GLY CA
C B 0322 GLY C 3.747 H B 0323 GLY C
H B 0323 GLY C 2.492 H B 0324 GLY CA
H B 0323 GLY C 3.064 H B 0324 GLY C
H B 0324 GLY C 2.509 H B 0325 ILE CA
H B 0324 GLY C 3.215 H B 0325 ILE C
H B 0324 GLY C 3.773 H B 0325 ILE CB
H B 0325 ILE C 2.499 H B 0326 LEU CA
H B 0325 ILE C 3.600 H B 0326 LEU C
H B 0325 ILE C 3.431 H B 0326 LEU CB
H B 0326 LEU C 2.469 H B 0327 ASP CA
H B 0326 LEU C 3.093 H B 0327 ASP C
H B 0326 LEU C 3.749 H B 0327 ASP CB
H B 0326 LEU CD1 3.730 H B 0331 ARG CD
H B 0327 ASP CA 2.977 H B 0328 PRO CD
H B 0327 ASP C 2.487 H B 0328 PRO CA
H B 0327 ASP C 3.139 H B 0328 PRO C
H B 0327 ASP C 3.698 H B 0328 PRO CB
H B 0327 ASP C 3.673 H B 0328 PRO CG
H B 0327 ASP C 2.504 H B 0328 PRO CD
H B 0327 ASP CB 3.542 H B 0328 PRO CD
H B 0328 PRO C 2.496 H B 0329 GLU CA
H B 0328 PRO C 3.152 H B 0329 GLU C
H B 0328 PRO C 3.749 H B 0329 GLU CB
H B 0328 PRO CB 3.798 H B 0332 TYR CD2
H B 0328 PRO CG 3.584 H B 0351 VAL CG1
H B 0329 GLU C 2.493 H B 0330 GLU CA
H B 0329 GLU C 3.646 H B 0330 GLU C
H B 0329 GLU C 3.429 H B 0330 GLU CB
H B 0330 GLU C 2.499 H B 0331 ARG CA
H B 0330 GLU C 3.127 H B 0331 ARG C
H B 0330 GLU C 3.754 H B 0331 ARG CB
H B 0331 ARG C 2.497 H B 0332 TYR CA
H B 0331 ARG C 3.649 H B 0332 TYR C
H B 0331 ARG C 3.450 H B 0332 TYR CB
H B 0331 ARG C 3.544 H B 0332 TYR CG
H B 0331 ARG C 3.546 H B 0332 TYR CD1
H B 0331 ARG CZ 3.761 H B 0332 TYR CZ
H B 0332 TYR C 2.466 H B 0333 GLU CA
H B 0332 TYR C 3.091 H B 0333 GLU C
H B 0332 TYR C 3.765 H B 0333 GLU CB
H B 0332 TYR CD2 3.635 H B 0354 LEU CB
H B 0332 TYR CE1 3.485 C B 0359 GLY CA
H B 0333 GLU C 2.471 H B 0334 HIS CA
H B 0333 GLU C 3.087 H B 0334 HIS C
H B 0333 GLU C 3.727 H B 0334 HIS CB
H B 0334 HIS C 2.475 H B 0335 GLN CA
H B 0334 HIS C 3.102 H B 0335 GLN C
H B 0334 HIS C 3.725 H B 0335 GLN CB
H B 0335 GLN C 2.482 H B 0336 LEU CA
H B 0335 GLN C 3.047 H B 0336 LEU C
H B 0335 GLN C 3.753 H B 0336 LEU CB
H B 0335 GLN CG 3.537 H B 0361 VAL CG2
H B 0336 LEU C 2.487 H B 0337 ARG CA
H B 0336 LEU C 3.073 H B 0337 ARG C
H B 0336 LEU C 3.772 H B 0337 ARG CB
H B 0336 LEU CD2 3.685 H B 0350 ASN CB
H B 0336 LEU CD2 3.573 H B 0354 LEU CD1
H B 0337 ARG C 2.472 H B 0338 GLN CA
H B 0337 ARG C 3.105 H B 0338 GLN C
H B 0337 ARG C 3.754 H B 0338 GLN CB
H B 0338 GLN C 2.482 H B 0339 LEU CA
H B 0338 GLN C 3.088 H B 0339 LEU C
H B 0338 GLN C 3.750 H B 0339 LEU CB
H B 0339 LEU C 2.465 H B 0340 ASN CA
H B 0339 LEU C 3.015 H B 0340 ASN C
H B 0339 LEU C 3.760 H B 0340 ASN CB
H B 0339 LEU CD1 3.755 H B 0350 ASN CB
H B 0340 ASN C 2.502 H B 0341 ASP CA
H B 0340 ASN C 3.168 H B 0341 ASP C
H B 0340 ASN C 3.737 H B 0341 ASP CB
H B 0341 ASP C 2.482 H B 0342 MET CA
H B 0341 ASP C 3.214 H B 0342 MET C
H B 0341 ASP C 3.744 H B 0342 MET CB
H B 0342 MET C 2.489 H B 0343 GLY CA
H B 0342 MET C 3.759 H B 0343 GLY C
H B 0342 MET CE 3.522 H B 0361 VAL CG1
H B 0342 MET CE 3.301 H B 0365 LEU CD1
H B 0343 GLY C 2.479 C B 0344 PHE CA
H B 0343 GLY C 3.439 C B 0344 PHE C
H B 0343 GLY C 3.603 C B 0344 PHE CB
C B 0344 PHE C 2.468 C B 0345 PHE CA
C B 0344 PHE C 3.268 C B 0345 PHE C
C B 0344 PHE C 3.676 C B 0345 PHE CB
C B 0344 PHE CE2 3.605 H B 0365 LEU CD1
C B 0344 PHE CE1 3.683 H B 0368 LEU CB
C B 0345 PHE C 2.501 H B 0346 ASP CA
C B 0345 PHE C 3.214 H B 0346 ASP C
C B 0345 PHE C 3.740 H B 0346 ASP CB
H B 0346 ASP C 2.499 H B 0347 PHE CA
H B 0346 ASP C 3.057 H B 0347 PHE C
H B 0346 ASP C 3.745 H B 0347 PHE CB
H B 0347 PHE C 2.484 H B 0348 ASP CA
H B 0347 PHE C 3.102 H B 0348 ASP C
H B 0347 PHE C 3.729 H B 0348 ASP CB
H B 0348 ASP C 2.485 H B 0349 ARG CA
H B 0348 ASP C 3.106 H B 0349 ARG C
H B 0348 ASP C 3.772 H B 0349 ARG CB
H B 0349 ARG C 2.472 H B 0350 ASN CA
H B 0349 ARG C 3.043 H B 0350 ASN C
H B 0349 ARG C 3.748 H B 0350 ASN CB
H B 0349 ARG CB 3.565 H B 0368 LEU CD2
H B 0349 ARG CZ 3.739 H B 0368 LEU CD2
H B 0350 ASN C 2.488 H B 0351 VAL CA
H B 0350 ASN C 3.044 H B 0351 VAL C
H B 0350 ASN C 3.765 H B 0351 VAL CB
H B 0351 VAL C 2.456 H B 0352 ALA CA
H B 0351 VAL C 3.083 H B 0352 ALA C
H B 0351 VAL C 3.706 H B 0352 ALA CB
H B 0351 VAL CG1 3.732 H B 0355 ARG CZ
H B 0352 ALA C 2.489 H B 0353 ALA CA
H B 0352 ALA C 3.237 H B 0353 ALA C
H B 0352 ALA C 3.688 H B 0353 ALA CB
H B 0352 ALA C 3.759 C B 0373 VAL CG1
H B 0352 ALA CB 3.606 C B 0373 VAL CG1
H B 0353 ALA C 2.476 H B 0354 LEU CA
H B 0353 ALA C 3.105 H B 0354 LEU C
H B 0353 ALA C 3.737 H B 0354 LEU CB
H B 0353 ALA CB 3.752 H B 0364 ALA CA
H B 0353 ALA CB 3.622 H B 0364 ALA CB
H B 0354 LEU C 2.506 H B 0355 ARG CA
H B 0354 LEU C 3.145 H B 0355 ARG C
H B 0354 LEU C 3.760 H B 0355 ARG CB
H B 0354 LEU CD2 3.785 H B 0364 ALA CB
H B 0355 ARG C 2.501 H B 0356 ARG CA
H B 0355 ARG C 3.519 H B 0356 ARG C
H B 0355 ARG C 3.561 H B 0356 ARG CB
H B 0356 ARG C 2.480 H B 0357 SER CA
H B 0356 ARG C 3.181 H B 0357 SER C
H B 0356 ARG C 3.720 H B 0357 SER CB
H B 0356 ARG CZ 3.663 C B 0373 VAL CG1
H B 0357 SER C 2.489 H B 0358 GLY CA
H B 0357 SER C 3.339 H B 0358 GLY C
H B 0357 SER CB 3.560 H B 0363 GLY C
H B 0358 GLY C 2.487 C B 0359 GLY CA
H B 0358 GLY C 3.404 C B 0359 GLY C
C B 0359 GLY C 2.485 H B 0360 SER CA
C B 0359 GLY C 3.193 H B 0360 SER C
C B 0359 GLY C 3.729 H B 0360 SER CB
H B 0360 SER C 2.494 H B 0361 VAL CA
H B 0360 SER C 3.049 H B 0361 VAL C
H B 0360 SER C 3.792 H B 0361 VAL CB
H B 0361 VAL C 2.479 H B 0362 GLN CA
H B 0361 VAL C 3.144 H B 0362 GLN C
H B 0361 VAL C 3.723 H B 0362 GLN CB
H B 0362 GLN C 2.466 H B 0363 GLY CA
H B 0362 GLN C 3.074 H B 0363 GLY C
H B 0362 GLN CA 3.721 H B 0365 LEU CB
H B 0363 GLY C 2.463 H B 0364 ALA CA
H B 0363 GLY C 3.112 H B 0364 ALA C
H B 0363 GLY C 3.713 H B 0364 ALA CB
H B 0364 ALA C 2.492 H B 0365 LEU CA
H B 0364 ALA C 3.103 H B 0365 LEU C
H B 0364 ALA C 3.720 H B 0365 LEU CB
H B 0365 LEU C 2.473 H B 0366 ASP CA
H B 0365 LEU C 3.072 H B 0366 ASP C
H B 0365 LEU C 3.727 H B 0366 ASP CB
H B 0365 LEU CD2 3.669 H B 0369 LEU CD1
H B 0366 ASP C 2.485 H B 0367 SER CA
H B 0366 ASP C 3.132 H B 0367 SER C
H B 0366 ASP C 3.751 H B 0367 SER CB
H B 0367 SER C 2.494 H B 0368 LEU CA
H B 0367 SER C 3.118 H B 0368 LEU C
H B 0367 SER C 3.744 H B 0368 LEU CB
H B 0368 LEU C 2.495 H B 0369 LEU CA
H B 0368 LEU C 3.159 H B 0369 LEU C
H B 0368 LEU C 3.756 H B 0369 LEU CB
H B 0368 LEU CD2 3.707 C B 0373 VAL CG2
H B 0369 LEU C 2.481 H B 0370 ASN CA
H B 0369 LEU C 3.212 H B 0370 ASN C
H B 0369 LEU C 3.718 H B 0370 ASN CB
H B 0370 ASN C 2.478 H B 0371 GLY CA
H B 0370 ASN C 3.238 H B 0371 GLY C
H B 0371 GLY C 2.494 C B 0372 ASP CA
H B 0371 GLY C 3.175 C B 0372 ASP C
H B 0371 GLY C 3.721 C B 0372 ASP CB
C B 0372 ASP C 2.539 C B 0373 VAL CA
C B 0372 ASP C 3.587 C B 0373 VAL C
C B 0372 ASP C 3.569 C B 0373 VAL CB
C B 0372 ASP C 3.739 C B 0373 VAL CG1
CHARGE_ATTR 2.00 12.00 69
H B 0327 ASP OD1 6.211 H B 0331 ARG NH1
H B 0327 ASP OD1 7.983 H B 0331 ARG NH2
H B 0327 ASP OD2 7.704 H B 0331 ARG NH1
H B 0327 ASP OD2 9.648 H B 0331 ARG NH2
H B 0327 ASP OD1 7.719 H B 0355 ARG NH1
H B 0327 ASP OD1 5.506 H B 0355 ARG NH2
H B 0327 ASP OD2 9.690 H B 0355 ARG NH1
H B 0327 ASP OD2 7.522 H B 0355 ARG NH2
H B 0329 GLU OE1 9.907 H B 0331 ARG NH1
H B 0329 GLU OE1 11.17 H B 0331 ARG NH2
H B 0329 GLU OE2 11.09 H B 0331 ARG NH1
H B 0329 GLU OE1 11.96 H B 0337 ARG NH1
H B 0329 GLU OE1 11.47 H B 0337 ARG NH2
H B 0329 GLU OE2 10.61 H B 0337 ARG NH1
H B 0329 GLU OE2 9.843 H B 0337 ARG NH2
H B 0329 GLU OE1 9.282 H B 0355 ARG NH1
H B 0329 GLU OE1 7.795 H B 0355 ARG NH2
H B 0329 GLU OE2 11.30 H B 0355 ARG NH1
H B 0329 GLU OE2 9.847 H B 0355 ARG NH2
H B 0330 GLU OE1 9.879 H B 0331 ARG NH1
H B 0330 GLU OE1 11.62 H B 0331 ARG NH2
H B 0330 GLU OE2 10.00 H B 0331 ARG NH1
H B 0330 GLU OE2 11.75 H B 0331 ARG NH2
H B 0330 GLU OE1 11.20 H B 0334 HIS ND1
H B 0330 GLU OE1 10.88 H B 0337 ARG NH1
H B 0330 GLU OE1 10.66 H B 0337 ARG NH2
H B 0330 GLU OE2 10.78 H B 0337 ARG NH1
H B 0330 GLU OE2 10.31 H B 0337 ARG NH2
H B 0330 GLU OE2 11.91 H B 0355 ARG NH2
H B 0333 GLU OE1 5.872 H B 0334 HIS ND1
H B 0333 GLU OE1 5.927 H B 0334 HIS NE2
H B 0333 GLU OE2 6.131 H B 0334 HIS ND1
H B 0333 GLU OE2 6.670 H B 0334 HIS NE2
H B 0333 GLU OE1 2.779 H B 0337 ARG NH1
H B 0333 GLU OE1 2.914 H B 0337 ARG NH2
H B 0333 GLU OE2 4.777 H B 0337 ARG NH1
H B 0333 GLU OE2 4.862 H B 0337 ARG NH2
H B 0341 ASP OD2 11.83 H B 0334 HIS NE2
H B 0341 ASP OD1 11.42 H B 0337 ARG NH1
H B 0341 ASP OD2 10.74 H B 0337 ARG NH1
H B 0341 ASP OD2 11.85 H B 0337 ARG NH2
H B 0346 ASP OD1 5.892 H B 0349 ARG NH1
H B 0346 ASP OD1 7.716 H B 0349 ARG NH2
H B 0346 ASP OD2 4.252 H B 0349 ARG NH1
H B 0346 ASP OD2 6.350 H B 0349 ARG NH2
H B 0348 ASP OD1 11.10 H B 0349 ARG NH1
H B 0348 ASP OD1 11.36 H B 0349 ARG NH2
H B 0348 ASP OD2 9.348 H B 0349 ARG NH1
H B 0348 ASP OD2 9.480 H B 0349 ARG NH2
H B 0348 ASP OD1 6.111 H B 0355 ARG NH1
H B 0348 ASP OD1 7.457 H B 0355 ARG NH2
H B 0348 ASP OD2 7.369 H B 0355 ARG NH1
H B 0348 ASP OD2 9.065 H B 0355 ARG NH2
H B 0348 ASP OD1 11.21 H B 0356 ARG NH1
H B 0348 ASP OD1 9.444 H B 0356 ARG NH2
H B 0348 ASP OD2 10.13 H B 0356 ARG NH1
H B 0348 ASP OD2 8.655 H B 0356 ARG NH2
H B 0366 ASP OD1 11.24 H B 0349 ARG NH2
H B 0366 ASP OD2 10.94 H B 0349 ARG NH2
H B 0366 ASP OD2 10.20 H B 0356 ARG NH1
H B 0366 ASP OD2 11.99 H B 0356 ARG NH2
C B 0372 ASP OD1 11.41 H B 0349 ARG NH1
C B 0372 ASP OD1 9.294 H B 0349 ARG NH2
C B 0372 ASP OD2 10.70 H B 0349 ARG NH1
C B 0372 ASP OD2 8.783 H B 0349 ARG NH2
C B 0372 ASP OD1 4.029 H B 0356 ARG NH1
C B 0372 ASP OD1 6.228 H B 0356 ARG NH2
C B 0372 ASP OD2 2.756 H B 0356 ARG NH1
C B 0372 ASP OD2 4.896 H B 0356 ARG NH2
CHARGE_REPU 2.00 12.00 48
H B 0327 ASP OD1 5.716 H B 0329 GLU OE1
H B 0327 ASP OD1 7.353 H B 0329 GLU OE2
H B 0327 ASP OD2 5.236 H B 0329 GLU OE1
H B 0327 ASP OD2 6.426 H B 0329 GLU OE2
H B 0327 ASP OD1 8.663 H B 0330 GLU OE1
H B 0327 ASP OD1 7.612 H B 0330 GLU OE2
H B 0327 ASP OD2 7.341 H B 0330 GLU OE1
H B 0327 ASP OD2 6.111 H B 0330 GLU OE2
H B 0327 ASP OD1 11.66 H B 0348 ASP OD1
H B 0329 GLU OE1 8.285 H B 0330 GLU OE1
H B 0329 GLU OE1 6.319 H B 0330 GLU OE2
H B 0329 GLU OE2 7.373 H B 0330 GLU OE1
H B 0329 GLU OE2 5.307 H B 0330 GLU OE2
H B 0329 GLU OE1 11.37 H B 0333 GLU OE1
H B 0329 GLU OE1 10.56 H B 0333 GLU OE2
H B 0329 GLU OE2 9.826 H B 0333 GLU OE1
H B 0329 GLU OE2 9.071 H B 0333 GLU OE2
H B 0329 GLU OE1 10.02 H B 0348 ASP OD1
H B 0329 GLU OE2 11.63 H B 0348 ASP OD1
H B 0330 GLU OE1 8.660 H B 0333 GLU OE1
H B 0330 GLU OE1 6.593 H B 0333 GLU OE2
H B 0330 GLU OE2 8.841 H B 0333 GLU OE1
H B 0330 GLU OE2 7.063 H B 0333 GLU OE2
H B 0331 ARG NH1 8.306 H B 0355 ARG NH1
H B 0331 ARG NH1 6.829 H B 0355 ARG NH2
H B 0331 ARG NH2 8.042 H B 0355 ARG NH1
H B 0331 ARG NH2 7.111 H B 0355 ARG NH2
H B 0331 ARG NH2 11.61 H B 0356 ARG NH2
H B 0334 HIS ND1 6.149 H B 0337 ARG NH1
H B 0334 HIS ND1 7.941 H B 0337 ARG NH2
H B 0334 HIS NE2 6.072 H B 0337 ARG NH1
H B 0334 HIS NE2 7.666 H B 0337 ARG NH2
H B 0346 ASP OD1 9.248 H B 0348 ASP OD1
H B 0346 ASP OD1 7.975 H B 0348 ASP OD2
H B 0346 ASP OD2 10.49 H B 0348 ASP OD1
H B 0346 ASP OD2 9.090 H B 0348 ASP OD2
H B 0349 ARG NH1 10.90 H B 0356 ARG NH1
H B 0349 ARG NH1 11.24 H B 0356 ARG NH2
H B 0349 ARG NH2 9.170 H B 0356 ARG NH1
H B 0349 ARG NH2 9.816 H B 0356 ARG NH2
H B 0355 ARG NH1 9.876 H B 0356 ARG NH1
H B 0355 ARG NH1 7.698 H B 0356 ARG NH2
H B 0355 ARG NH2 11.86 H B 0356 ARG NH1
H B 0355 ARG NH2 9.713 H B 0356 ARG NH2
H B 0366 ASP OD1 9.955 C B 0372 ASP OD1
H B 0366 ASP OD1 9.510 C B 0372 ASP OD2
H B 0366 ASP OD2 8.200 C B 0372 ASP OD1
H B 0366 ASP OD2 7.645 C B 0372 ASP OD2
HB_MM 2.00 3.20 97
C B 0317 GLY N 2.251 C B 0316 PRO O
C B 0318 ILE N 2.251 C B 0317 GLY O
C B 0319 SER N 2.257 C B 0318 ILE O
C B 0320 GLY N 2.242 C B 0319 SER O
C B 0321 GLY N 2.254 C B 0320 GLY O
C B 0322 GLY N 2.250 C B 0321 GLY O
H B 0323 GLY N 2.254 C B 0322 GLY O
H B 0324 GLY N 2.251 H B 0323 GLY O
H B 0325 ILE N 3.200 H B 0323 GLY O
H B 0325 ILE N 2.253 H B 0324 GLY O
H B 0326 LEU N 2.938 H B 0323 GLY O
H B 0326 LEU N 3.080 H B 0324 GLY O
H B 0326 LEU N 2.246 H B 0325 ILE O
H B 0327 ASP N 2.228 H B 0326 LEU O
H B 0328 PRO N 2.249 H B 0327 ASP O
H B 0329 GLU N 3.162 H B 0327 ASP O
H B 0329 GLU N 2.248 H B 0328 PRO O
H B 0330 GLU N 3.046 H B 0327 ASP O
H B 0330 GLU N 3.128 H B 0328 PRO O
H B 0330 GLU N 2.249 H B 0329 GLU O
H B 0331 ARG N 2.858 H B 0327 ASP O
H B 0331 ARG N 2.246 H B 0330 GLU O
H B 0332 TYR N 3.065 H B 0328 PRO O
H B 0332 TYR N 2.257 H B 0331 ARG O
H B 0333 GLU N 2.232 H B 0332 TYR O
H B 0334 HIS N 3.079 H B 0332 TYR O
H B 0334 HIS N 2.237 H B 0333 GLU O
H B 0335 GLN N 3.005 H B 0332 TYR O
H B 0335 GLN N 2.241 H B 0334 HIS O
H B 0336 LEU N 2.901 H B 0332 TYR O
H B 0336 LEU N 2.248 H B 0335 GLN O
H B 0337 ARG N 3.184 H B 0333 GLU O
H B 0337 ARG N 2.254 H B 0336 LEU O
H B 0338 GLN N 2.941 H B 0334 HIS O
H B 0338 GLN N 2.239 H B 0337 ARG O
H B 0339 LEU N 2.919 H B 0335 GLN O
H B 0339 LEU N 2.243 H B 0338 GLN O
H B 0340 ASN N 2.989 H B 0336 LEU O
H B 0340 ASN N 2.248 H B 0339 LEU O
H B 0341 ASP N 2.846 H B 0337 ARG O
H B 0341 ASP N 2.248 H B 0340 ASN O
H B 0342 MET N 3.024 H B 0338 GLN O
H B 0342 MET N 2.246 H B 0341 ASP O
H B 0343 GLY N 3.095 H B 0339 LEU O
H B 0343 GLY N 2.975 H B 0340 ASN O
H B 0343 GLY N 2.254 H B 0342 MET O
C B 0344 PHE N 2.917 H B 0339 LEU O
C B 0344 PHE N 2.244 H B 0343 GLY O
C B 0345 PHE N 2.238 C B 0344 PHE O
H B 0346 ASP N 2.241 C B 0345 PHE O
H B 0347 PHE N 2.960 C B 0345 PHE O
H B 0347 PHE N 2.243 H B 0346 ASP O
H B 0348 ASP N 2.240 H B 0347 PHE O
H B 0349 ARG N 3.110 H B 0346 ASP O
H B 0349 ARG N 2.253 H B 0348 ASP O
H B 0350 ASN N 2.994 H B 0346 ASP O
H B 0350 ASN N 2.251 H B 0349 ARG O
H B 0351 VAL N 2.887 H B 0347 PHE O
H B 0351 VAL N 2.246 H B 0350 ASN O
H B 0352 ALA N 3.030 H B 0348 ASP O
H B 0352 ALA N 2.247 H B 0351 VAL O
H B 0353 ALA N 2.914 H B 0349 ARG O
H B 0353 ALA N 2.250 H B 0352 ALA O
H B 0354 LEU N 2.886 H B 0350 ASN O
H B 0354 LEU N 2.237 H B 0353 ALA O
H B 0355 ARG N 2.999 H B 0351 VAL O
H B 0355 ARG N 2.254 H B 0354 LEU O
H B 0356 ARG N 2.256 H B 0355 ARG O
H B 0357 SER N 2.920 H B 0353 ALA O
H B 0357 SER N 2.251 H B 0356 ARG O
H B 0358 GLY N 3.155 H B 0354 LEU O
H B 0358 GLY N 2.253 H B 0357 SER O
C B 0359 GLY N 3.010 H B 0354 LEU O
C B 0359 GLY N 2.253 H B 0358 GLY O
H B 0360 SER N 2.246 C B 0359 GLY O
H B 0361 VAL N 2.257 H B 0360 SER O
H B 0362 GLN N 2.239 H B 0361 VAL O
H B 0363 GLY N 2.242 H B 0362 GLN O
H B 0364 ALA N 2.925 H B 0360 SER O
H B 0364 ALA N 2.249 H B 0363 GLY O
H B 0365 LEU N 2.889 H B 0361 VAL O
H B 0365 LEU N 2.244 H B 0364 ALA O
H B 0366 ASP N 2.899 H B 0362 GLN O
H B 0366 ASP N 2.240 H B 0365 LEU O
H B 0367 SER N 3.123 H B 0364 ALA O
H B 0367 SER N 2.243 H B 0366 ASP O
H B 0368 LEU N 2.932 H B 0364 ALA O
H B 0368 LEU N 2.253 H B 0367 SER O
H B 0369 LEU N 2.952 H B 0365 LEU O
H B 0369 LEU N 2.258 H B 0368 LEU O
H B 0370 ASN N 2.995 H B 0366 ASP O
H B 0370 ASN N 2.251 H B 0369 LEU O
H B 0371 GLY N 3.068 H B 0367 SER O
H B 0371 GLY N 2.247 H B 0370 ASN O
C B 0372 ASP N 3.027 H B 0367 SER O
C B 0372 ASP N 2.249 H B 0371 GLY O
C B 0373 VAL N 2.260 C B 0372 ASP O
HB_MS 2.00 3.20 13
H B 0326 LEU O 2.781 H B 0331 ARG NH1
H B 0333 GLU O 2.860 H B 0337 ARG NH1
C B 0344 PHE O 2.814 H B 0340 ASN ND2
C B 0344 PHE O 2.836 H B 0350 ASN ND2
H B 0358 GLY N 3.189 H B 0357 SER OG
C B 0359 GLY O 2.890 H B 0335 GLN NE2
C B 0359 GLY N 3.199 H B 0357 SER OG
H B 0360 SER N 3.095 H B 0357 SER OG
H B 0360 SER O 3.135 H B 0357 SER OG
H B 0363 GLY N 3.031 H B 0360 SER OG
H B 0366 ASP O 2.829 H B 0370 ASN ND2
H B 0368 LEU O 2.923 H B 0349 ARG NH2
C B 0372 ASP O 3.021 H B 0356 ARG NH1
HB_SS 2.00 3.20 1
H B 0331 ARG NH2 2.910 H B 0332 TYR OH
AROMATIC 0.00 8.00 2
H B 0331 ARG 4.289 H B 0332 TYR
H B 0349 ARG 5.770 C B 0344 PHE