Complet list of 1grx con file
Complete list of 1grx.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 367
C A 0001 MET C 2.457 E A 0002 GLN CA
C A 0001 MET C 3.682 E A 0002 GLN C
C A 0001 MET C 3.195 E A 0002 GLN CB
C A 0001 MET C 3.677 E A 0031 PHE CB
C A 0001 MET CB 3.739 E A 0031 PHE CB
E A 0002 GLN C 2.454 E A 0003 THR CA
E A 0002 GLN C 3.357 E A 0003 THR C
E A 0002 GLN C 3.554 E A 0003 THR CB
E A 0002 GLN CD 3.628 E A 0032 GLN CB
E A 0003 THR C 2.465 E A 0004 VAL CA
E A 0003 THR C 3.525 E A 0004 VAL C
E A 0003 THR C 3.449 E A 0004 VAL CB
E A 0003 THR C 3.368 E A 0004 VAL CG2
E A 0003 THR CB 3.705 E A 0033 TYR CB
E A 0003 THR CG2 3.417 E A 0062 ILE CG2
E A 0004 VAL C 2.469 E A 0005 ILE CA
E A 0004 VAL C 3.359 E A 0005 ILE C
E A 0004 VAL C 3.639 E A 0005 ILE CB
E A 0004 VAL C 3.776 E A 0005 ILE CD1
E A 0004 VAL CG1 3.575 E A 0006 PHE CE1
E A 0004 VAL CG1 3.405 E A 0036 VAL CG2
E A 0005 ILE C 2.435 E A 0006 PHE CA
E A 0005 ILE C 3.316 E A 0006 PHE C
E A 0005 ILE C 3.576 E A 0006 PHE CB
E A 0005 ILE CG1 3.461 E A 0033 TYR CD2
E A 0005 ILE CG1 3.550 E A 0033 TYR CE2
E A 0005 ILE CD1 3.545 E A 0033 TYR CD2
E A 0005 ILE CB 3.756 E A 0035 TYR CG
E A 0005 ILE CB 3.386 E A 0035 TYR CD2
E A 0005 ILE CG1 3.693 E A 0035 TYR CD2
E A 0005 ILE CG2 3.476 E A 0035 TYR CD2
E A 0005 ILE CG2 3.646 E A 0035 TYR CE2
E A 0005 ILE CD1 3.555 E A 0062 ILE CG1
E A 0006 PHE C 2.440 E A 0007 GLY CA
E A 0006 PHE C 3.098 E A 0007 GLY C
E A 0006 PHE CD2 3.701 H A 0048 LEU CD2
E A 0006 PHE CD1 3.381 E A 0063 PHE CD1
E A 0006 PHE CD1 3.731 E A 0063 PHE CE1
E A 0006 PHE CE1 3.347 E A 0063 PHE CD1
E A 0006 PHE CE1 3.692 E A 0063 PHE CE1
E A 0007 GLY C 2.448 C A 0008 ARG CA
E A 0007 GLY C 3.661 C A 0008 ARG C
E A 0007 GLY C 3.251 C A 0008 ARG CB
C A 0008 ARG CA 3.782 C A 0009 SER CA
C A 0008 ARG C 2.458 C A 0009 SER CA
C A 0008 ARG C 3.201 C A 0009 SER C
C A 0008 ARG C 3.620 C A 0009 SER CB
C A 0009 SER CA 3.795 C A 0010 GLY CA
C A 0009 SER C 2.463 C A 0010 GLY CA
C A 0009 SER C 3.388 C A 0010 GLY C
C A 0009 SER CA 3.424 C A 0059 VAL CG2
C A 0009 SER CB 3.707 C A 0059 VAL CG2
C A 0010 GLY C 2.464 C A 0011 CYS CA
C A 0010 GLY C 3.078 C A 0011 CYS C
C A 0010 GLY C 3.741 C A 0011 CYS CB
C A 0011 CYS CA 2.983 C A 0012 PRO CD
C A 0011 CYS C 2.462 C A 0012 PRO CA
C A 0011 CYS C 3.007 C A 0012 PRO C
C A 0011 CYS C 3.681 C A 0012 PRO CB
C A 0011 CYS C 3.636 C A 0012 PRO CG
C A 0011 CYS C 2.484 C A 0012 PRO CD
C A 0012 PRO C 2.456 H A 0013 TYR CA
C A 0012 PRO C 2.999 H A 0013 TYR C
C A 0012 PRO C 3.690 H A 0013 TYR CB
H A 0013 TYR CA 3.800 H A 0014 SER CA
H A 0013 TYR C 2.429 H A 0014 SER CA
H A 0013 TYR C 3.087 H A 0014 SER C
H A 0013 TYR C 3.584 H A 0014 SER CB
H A 0014 SER C 2.505 H A 0015 VAL CA
H A 0014 SER C 3.033 H A 0015 VAL C
H A 0014 SER C 3.771 H A 0015 VAL CB
H A 0014 SER CB 3.700 C A 0060 PRO CD
H A 0015 VAL C 2.456 H A 0016 ARG CA
H A 0015 VAL C 2.890 H A 0016 ARG C
H A 0015 VAL C 3.716 H A 0016 ARG CB
H A 0016 ARG C 2.457 H A 0017 ALA CA
H A 0016 ARG C 3.032 H A 0017 ALA C
H A 0016 ARG C 3.722 H A 0017 ALA CB
H A 0016 ARG CB 3.750 H A 0072 TYR CG
H A 0016 ARG CB 3.702 H A 0072 TYR CD1
H A 0016 ARG CB 3.645 H A 0072 TYR CD2
H A 0016 ARG CB 3.636 H A 0072 TYR CE1
H A 0016 ARG CB 3.508 H A 0072 TYR CE2
H A 0016 ARG CB 3.517 H A 0072 TYR CZ
H A 0016 ARG CG 3.722 H A 0072 TYR CE2
H A 0017 ALA C 2.438 H A 0018 LYS CA
H A 0017 ALA C 2.939 H A 0018 LYS C
H A 0017 ALA C 3.737 H A 0018 LYS CB
H A 0017 ALA C 3.751 E A 0062 ILE CD1
H A 0017 ALA CB 3.275 E A 0062 ILE CD1
H A 0017 ALA CB 3.515 H A 0072 TYR CA
H A 0017 ALA CB 3.779 H A 0072 TYR CB
H A 0018 LYS C 2.451 H A 0019 ASP CA
H A 0018 LYS C 2.933 H A 0019 ASP C
H A 0018 LYS C 3.715 H A 0019 ASP CB
H A 0019 ASP C 2.461 H A 0020 LEU CA
H A 0019 ASP C 3.010 H A 0020 LEU C
H A 0019 ASP C 3.712 H A 0020 LEU CB
H A 0020 LEU C 2.437 H A 0021 ALA CA
H A 0020 LEU C 2.965 H A 0021 ALA C
H A 0020 LEU C 3.727 H A 0021 ALA CB
H A 0021 ALA CA 3.797 H A 0022 GLU CA
H A 0021 ALA C 2.414 H A 0022 GLU CA
H A 0021 ALA C 2.938 H A 0022 GLU C
H A 0021 ALA C 3.706 H A 0022 GLU CB
H A 0021 ALA CA 3.694 H A 0075 PHE CE2
H A 0021 ALA CA 3.778 H A 0075 PHE CZ
H A 0021 ALA CB 3.697 H A 0075 PHE CE2
H A 0021 ALA CB 3.656 H A 0075 PHE CZ
H A 0022 GLU C 2.439 H A 0023 LYS CA
H A 0022 GLU C 2.974 H A 0023 LYS C
H A 0022 GLU C 3.715 H A 0023 LYS CB
H A 0022 GLU CA 3.519 E A 0033 TYR CE1
H A 0022 GLU CB 3.540 E A 0033 TYR CE1
H A 0023 LYS C 2.431 H A 0024 LEU CA
H A 0023 LYS C 2.976 H A 0024 LEU C
H A 0023 LYS C 3.710 H A 0024 LEU CB
H A 0024 LEU C 2.461 H A 0025 SER CA
H A 0024 LEU C 3.227 H A 0025 SER C
H A 0024 LEU C 3.675 H A 0025 SER CB
H A 0024 LEU CD2 3.565 H A 0028 ARG CZ
H A 0024 LEU C 3.458 E A 0031 PHE CE1
H A 0024 LEU C 3.610 E A 0031 PHE CZ
H A 0024 LEU CB 3.726 E A 0031 PHE CE1
H A 0024 LEU CB 3.488 E A 0031 PHE CZ
H A 0025 SER C 2.478 H A 0026 ASN CA
H A 0025 SER C 3.400 H A 0026 ASN C
H A 0025 SER C 3.635 H A 0026 ASN CB
H A 0026 ASN C 2.454 H A 0027 GLU CA
H A 0026 ASN C 3.112 H A 0027 GLU C
H A 0026 ASN C 3.713 H A 0027 GLU CB
H A 0027 GLU C 2.454 H A 0028 ARG CA
H A 0027 GLU C 3.247 H A 0028 ARG C
H A 0027 GLU C 3.646 H A 0028 ARG CB
H A 0028 ARG C 2.463 C A 0029 ASP CA
H A 0028 ARG C 3.556 C A 0029 ASP C
H A 0028 ARG C 3.428 C A 0029 ASP CB
H A 0028 ARG C 3.441 C A 0029 ASP CG
H A 0028 ARG CZ 3.534 H A 0083 LEU CD1
C A 0029 ASP C 2.461 C A 0030 ASP CA
C A 0029 ASP C 3.632 C A 0030 ASP C
C A 0029 ASP C 3.288 C A 0030 ASP CB
C A 0030 ASP CA 3.741 E A 0031 PHE CA
C A 0030 ASP C 2.398 E A 0031 PHE CA
C A 0030 ASP C 3.096 E A 0031 PHE C
C A 0030 ASP C 3.613 E A 0031 PHE CB
E A 0031 PHE CA 3.741 E A 0032 GLN CA
E A 0031 PHE C 2.414 E A 0032 GLN CA
E A 0031 PHE C 3.064 E A 0032 GLN C
E A 0031 PHE C 3.642 E A 0032 GLN CB
E A 0032 GLN CA 3.736 E A 0033 TYR CA
E A 0032 GLN C 2.399 E A 0033 TYR CA
E A 0032 GLN C 3.322 E A 0033 TYR C
E A 0032 GLN C 3.508 E A 0033 TYR CB
E A 0033 TYR CA 3.798 E A 0034 GLN CA
E A 0033 TYR C 2.438 E A 0034 GLN CA
E A 0033 TYR C 3.544 E A 0034 GLN C
E A 0033 TYR C 3.351 E A 0034 GLN CB
E A 0033 TYR CD2 3.745 E A 0034 GLN CA
E A 0033 TYR CD2 3.540 E A 0034 GLN C
E A 0034 GLN CA 3.794 E A 0035 TYR CA
E A 0034 GLN C 2.425 E A 0035 TYR CA
E A 0034 GLN C 3.300 E A 0035 TYR C
E A 0034 GLN C 3.557 E A 0035 TYR CB
E A 0035 TYR C 2.477 E A 0036 VAL CA
E A 0035 TYR C 3.566 E A 0036 VAL C
E A 0035 TYR C 3.381 E A 0036 VAL CB
E A 0035 TYR C 3.396 E A 0036 VAL CG2
E A 0036 VAL C 2.459 E A 0037 ASP CA
E A 0036 VAL C 3.344 E A 0037 ASP C
E A 0036 VAL C 3.668 E A 0037 ASP CB
E A 0036 VAL CG1 3.514 C A 0041 GLU CD
E A 0037 ASP CA 3.777 C A 0038 ILE CA
E A 0037 ASP C 2.454 C A 0038 ILE CA
E A 0037 ASP C 2.972 C A 0038 ILE C
E A 0037 ASP C 3.730 C A 0038 ILE CB
E A 0037 ASP CB 3.591 C A 0039 ARG CG
C A 0038 ILE C 2.448 C A 0039 ARG CA
C A 0038 ILE C 3.154 C A 0039 ARG C
C A 0038 ILE C 3.741 C A 0039 ARG CB
C A 0038 ILE CG2 3.738 C A 0043 ILE CG2
C A 0039 ARG C 2.435 C A 0040 ALA CA
C A 0039 ARG C 3.146 C A 0040 ALA C
C A 0039 ARG C 3.664 C A 0040 ALA CB
C A 0040 ALA CA 3.791 C A 0041 GLU CA
C A 0040 ALA C 2.439 C A 0041 GLU CA
C A 0040 ALA C 3.147 C A 0041 GLU C
C A 0040 ALA C 3.653 C A 0041 GLU CB
C A 0041 GLU C 2.446 C A 0042 GLY CA
C A 0041 GLU C 3.148 C A 0042 GLY C
C A 0042 GLY C 2.472 C A 0043 ILE CA
C A 0042 GLY C 3.545 C A 0043 ILE C
C A 0042 GLY C 3.397 C A 0043 ILE CB
C A 0042 GLY C 3.720 C A 0043 ILE CG1
C A 0043 ILE C 2.456 H A 0044 THR CA
C A 0043 ILE C 3.274 H A 0044 THR C
C A 0043 ILE C 3.621 H A 0044 THR CB
C A 0043 ILE CG1 3.779 H A 0047 ASP CG
C A 0043 ILE CG2 3.790 H A 0048 LEU CG
H A 0044 THR C 2.445 H A 0045 LYS CA
H A 0044 THR C 3.000 H A 0045 LYS C
H A 0044 THR C 3.683 H A 0045 LYS CB
H A 0045 LYS C 2.460 H A 0046 GLU CA
H A 0045 LYS C 2.982 H A 0046 GLU C
H A 0045 LYS C 3.713 H A 0046 GLU CB
H A 0046 GLU C 2.457 H A 0047 ASP CA
H A 0046 GLU C 2.880 H A 0047 ASP C
H A 0046 GLU C 3.759 H A 0047 ASP CB
H A 0047 ASP CA 3.771 H A 0048 LEU CA
H A 0047 ASP C 2.429 H A 0048 LEU CA
H A 0047 ASP C 2.919 H A 0048 LEU C
H A 0047 ASP C 3.688 H A 0048 LEU CB
H A 0048 LEU C 2.428 H A 0049 GLN CA
H A 0048 LEU C 3.073 H A 0049 GLN C
H A 0048 LEU C 3.637 H A 0049 GLN CB
H A 0048 LEU CD2 3.758 E A 0061 GLN CD
H A 0049 GLN C 2.455 H A 0050 GLN CA
H A 0049 GLN C 2.964 H A 0050 GLN C
H A 0049 GLN C 3.737 H A 0050 GLN CB
H A 0049 GLN CG 3.737 C A 0055 PRO CA
H A 0050 GLN C 2.458 H A 0051 LYS CA
H A 0050 GLN C 3.024 H A 0051 LYS C
H A 0050 GLN C 3.712 H A 0051 LYS CB
H A 0051 LYS C 2.463 H A 0052 ALA CA
H A 0051 LYS C 3.009 H A 0052 ALA C
H A 0051 LYS C 3.724 H A 0052 ALA CB
H A 0052 ALA C 2.450 H A 0053 GLY CA
H A 0052 ALA C 3.292 H A 0053 GLY C
H A 0052 ALA CB 3.671 C A 0056 VAL CG1
H A 0052 ALA CA 3.695 E A 0068 HIS CG
H A 0052 ALA CB 3.380 E A 0068 HIS CG
H A 0052 ALA CB 3.236 E A 0068 HIS CD2
H A 0053 GLY C 2.449 C A 0054 LYS CA
H A 0053 GLY C 3.696 C A 0054 LYS C
H A 0053 GLY C 3.091 C A 0054 LYS CB
C A 0054 LYS CA 2.948 C A 0055 PRO CD
C A 0054 LYS C 2.451 C A 0055 PRO CA
C A 0054 LYS C 3.119 C A 0055 PRO C
C A 0054 LYS C 3.650 C A 0055 PRO CB
C A 0054 LYS C 3.675 C A 0055 PRO CG
C A 0054 LYS C 2.490 C A 0055 PRO CD
C A 0054 LYS CB 3.496 C A 0055 PRO CD
C A 0055 PRO C 2.427 C A 0056 VAL CA
C A 0055 PRO C 3.062 C A 0056 VAL C
C A 0055 PRO C 3.728 C A 0056 VAL CB
C A 0056 VAL CA 3.771 C A 0057 GLU CA
C A 0056 VAL C 2.463 C A 0057 GLU CA
C A 0056 VAL C 3.537 C A 0057 GLU C
C A 0056 VAL C 3.412 C A 0057 GLU CB
C A 0057 GLU C 2.424 C A 0058 THR CA
C A 0057 GLU C 3.112 C A 0058 THR C
C A 0057 GLU C 3.677 C A 0058 THR CB
C A 0058 THR C 2.450 C A 0059 VAL CA
C A 0058 THR C 3.507 C A 0059 VAL C
C A 0058 THR C 3.398 C A 0059 VAL CB
C A 0058 THR C 3.328 C A 0059 VAL CG1
C A 0059 VAL CA 3.018 C A 0060 PRO CA
C A 0059 VAL CA 3.272 C A 0060 PRO C
C A 0059 VAL C 2.502 C A 0060 PRO CA
C A 0059 VAL C 3.139 C A 0060 PRO C
C A 0059 VAL C 3.677 C A 0060 PRO CB
C A 0059 VAL C 3.662 C A 0060 PRO CG
C A 0059 VAL C 2.455 C A 0060 PRO CD
C A 0059 VAL CB 3.481 C A 0060 PRO CA
C A 0060 PRO CA 3.766 E A 0061 GLN CA
C A 0060 PRO C 2.429 E A 0061 GLN CA
C A 0060 PRO C 3.288 E A 0061 GLN C
C A 0060 PRO C 3.588 E A 0061 GLN CB
E A 0061 GLN C 2.460 E A 0062 ILE CA
E A 0061 GLN C 3.476 E A 0062 ILE C
E A 0061 GLN C 3.465 E A 0062 ILE CB
E A 0061 GLN C 3.776 E A 0062 ILE CG1
E A 0062 ILE CA 3.794 E A 0063 PHE CA
E A 0062 ILE C 2.437 E A 0063 PHE CA
E A 0062 ILE C 3.260 E A 0063 PHE C
E A 0062 ILE C 3.616 E A 0063 PHE CB
E A 0063 PHE C 2.451 E A 0064 VAL CA
E A 0063 PHE C 3.430 E A 0064 VAL C
E A 0063 PHE C 3.522 E A 0064 VAL CB
E A 0063 PHE C 3.586 E A 0064 VAL CG2
E A 0063 PHE CD2 3.716 C A 0066 GLN C
E A 0063 PHE CD2 3.398 E A 0067 GLN C
E A 0063 PHE CD2 3.439 E A 0068 HIS CA
E A 0063 PHE CE2 3.481 E A 0068 HIS CA
E A 0063 PHE CE2 3.406 E A 0068 HIS CB
E A 0063 PHE CZ 3.747 E A 0068 HIS CB
E A 0064 VAL C 2.474 C A 0065 ASP CA
E A 0064 VAL C 2.910 C A 0065 ASP C
E A 0064 VAL C 3.214 C A 0065 ASP CB
E A 0064 VAL CG2 3.773 H A 0075 PHE CE1
E A 0064 VAL CG1 3.711 H A 0078 TRP CZ3
E A 0064 VAL CG1 3.476 H A 0078 TRP CH2
C A 0065 ASP C 2.480 C A 0066 GLN CA
C A 0065 ASP C 3.115 C A 0066 GLN C
C A 0065 ASP C 3.092 C A 0066 GLN CB
C A 0065 ASP C 3.493 C A 0066 GLN CG
C A 0066 GLN C 2.471 E A 0067 GLN CA
C A 0066 GLN C 3.370 E A 0067 GLN C
C A 0066 GLN C 3.573 E A 0067 GLN CB
E A 0067 GLN C 2.462 E A 0068 HIS CA
E A 0067 GLN C 3.026 E A 0068 HIS C
E A 0067 GLN C 3.703 E A 0068 HIS CB
E A 0068 HIS C 2.430 E A 0069 ILE CA
E A 0068 HIS C 3.272 E A 0069 ILE C
E A 0068 HIS C 3.620 E A 0069 ILE CB
E A 0068 HIS CE1 3.668 E A 0069 ILE C
E A 0068 HIS CE1 3.479 C A 0070 GLY CA
E A 0069 ILE C 2.459 C A 0070 GLY CA
E A 0069 ILE C 3.560 C A 0070 GLY C
E A 0069 ILE CG2 3.573 H A 0074 ASP C
E A 0069 ILE CG2 3.545 H A 0075 PHE CA
E A 0069 ILE CG2 3.637 H A 0078 TRP CB
E A 0069 ILE CD1 3.413 H A 0078 TRP CG
E A 0069 ILE CD1 3.294 H A 0078 TRP CD1
C A 0070 GLY C 2.440 H A 0071 GLY CA
C A 0070 GLY C 3.298 H A 0071 GLY C
C A 0070 GLY CA 3.733 H A 0074 ASP CB
C A 0070 GLY CA 3.712 H A 0074 ASP CG
H A 0071 GLY C 2.468 H A 0072 TYR CA
H A 0071 GLY C 2.991 H A 0072 TYR C
H A 0071 GLY C 3.692 H A 0072 TYR CB
H A 0072 TYR C 2.424 H A 0073 THR CA
H A 0072 TYR C 3.033 H A 0073 THR C
H A 0072 TYR C 3.661 H A 0073 THR CB
H A 0073 THR C 2.448 H A 0074 ASP CA
H A 0073 THR C 2.953 H A 0074 ASP C
H A 0073 THR C 3.757 H A 0074 ASP CB
H A 0074 ASP C 2.439 H A 0075 PHE CA
H A 0074 ASP C 3.048 H A 0075 PHE C
H A 0074 ASP C 3.684 H A 0075 PHE CB
H A 0075 PHE C 2.436 H A 0076 ALA CA
H A 0075 PHE C 2.925 H A 0076 ALA C
H A 0075 PHE C 3.713 H A 0076 ALA CB
H A 0076 ALA C 2.449 H A 0077 ALA CA
H A 0076 ALA C 2.970 H A 0077 ALA C
H A 0076 ALA C 3.727 H A 0077 ALA CB
H A 0077 ALA C 2.433 H A 0078 TRP CA
H A 0077 ALA C 2.988 H A 0078 TRP C
H A 0077 ALA C 3.717 H A 0078 TRP CB
H A 0078 TRP C 2.451 H A 0079 VAL CA
H A 0078 TRP C 2.960 H A 0079 VAL C
H A 0078 TRP C 3.747 H A 0079 VAL CB
H A 0078 TRP CE3 3.712 H A 0079 VAL CA
H A 0078 TRP CE3 3.786 H A 0079 VAL CG2
H A 0078 TRP CE2 3.380 H A 0082 ASN CG
H A 0078 TRP CZ2 3.420 H A 0082 ASN CG
H A 0079 VAL C 2.417 H A 0080 LYS CA
H A 0079 VAL C 2.973 H A 0080 LYS C
H A 0079 VAL C 3.710 H A 0080 LYS CB
H A 0080 LYS C 2.421 H A 0081 GLU CA
H A 0080 LYS C 3.001 H A 0081 GLU C
H A 0080 LYS C 3.728 H A 0081 GLU CB
H A 0080 LYS CE 3.433 C A 0084 ASP CG
H A 0080 LYS C 3.551 C A 0085 ALA C
H A 0081 GLU C 2.462 H A 0082 ASN CA
H A 0081 GLU C 3.274 H A 0082 ASN C
H A 0081 GLU C 3.682 H A 0082 ASN CB
H A 0082 ASN C 2.463 H A 0083 LEU CA
H A 0082 ASN C 3.441 H A 0083 LEU C
H A 0082 ASN C 3.588 H A 0083 LEU CB
H A 0082 ASN C 3.768 H A 0083 LEU CG
H A 0083 LEU C 2.481 C A 0084 ASP CA
H A 0083 LEU C 3.180 C A 0084 ASP C
H A 0083 LEU C 3.726 C A 0084 ASP CB
C A 0084 ASP C 2.534 C A 0085 ALA CA
C A 0084 ASP C 3.496 C A 0085 ALA C
C A 0084 ASP C 3.019 C A 0085 ALA CB
CHARGE_ATTR 2.00 12.00 79
H A 0019 ASP OD1 11.12 C A 0008 ARG NH1
H A 0019 ASP OD1 9.765 C A 0008 ARG NH2
H A 0019 ASP OD2 11.08 C A 0008 ARG NH2
H A 0019 ASP OD1 4.388 H A 0016 ARG NH1
H A 0019 ASP OD1 5.909 H A 0016 ARG NH2
H A 0019 ASP OD2 2.725 H A 0016 ARG NH1
H A 0019 ASP OD2 3.767 H A 0016 ARG NH2
H A 0019 ASP OD1 6.996 H A 0018 LYS NZ
H A 0019 ASP OD2 8.579 H A 0018 LYS NZ
H A 0019 ASP OD1 8.239 H A 0023 LYS NZ
H A 0019 ASP OD2 8.070 H A 0023 LYS NZ
H A 0022 GLU OE1 9.082 C A 0008 ARG NH1
H A 0022 GLU OE1 8.682 C A 0008 ARG NH2
H A 0022 GLU OE2 10.76 C A 0008 ARG NH1
H A 0022 GLU OE2 9.992 C A 0008 ARG NH2
H A 0022 GLU OE1 10.73 H A 0016 ARG NH1
H A 0022 GLU OE1 11.90 H A 0016 ARG NH2
H A 0022 GLU OE2 10.47 H A 0016 ARG NH1
H A 0022 GLU OE2 11.66 H A 0016 ARG NH2
H A 0022 GLU OE1 5.257 H A 0018 LYS NZ
H A 0022 GLU OE2 6.525 H A 0018 LYS NZ
H A 0022 GLU OE1 10.83 H A 0023 LYS NZ
H A 0022 GLU OE2 9.271 H A 0023 LYS NZ
H A 0027 GLU OE1 11.51 H A 0016 ARG NH2
H A 0027 GLU OE2 10.34 H A 0016 ARG NH1
H A 0027 GLU OE2 9.509 H A 0016 ARG NH2
H A 0027 GLU OE1 2.813 H A 0023 LYS NZ
H A 0027 GLU OE2 2.707 H A 0023 LYS NZ
H A 0027 GLU OE1 8.377 H A 0028 ARG NH1
H A 0027 GLU OE1 9.161 H A 0028 ARG NH2
H A 0027 GLU OE2 7.918 H A 0028 ARG NH1
H A 0027 GLU OE2 8.208 H A 0028 ARG NH2
C A 0029 ASP OD1 10.44 H A 0023 LYS NZ
C A 0029 ASP OD2 10.87 H A 0023 LYS NZ
C A 0029 ASP OD1 10.11 H A 0028 ARG NH1
C A 0029 ASP OD1 11.73 H A 0028 ARG NH2
C A 0029 ASP OD2 9.178 H A 0028 ARG NH1
C A 0029 ASP OD2 11.09 H A 0028 ARG NH2
C A 0030 ASP OD1 11.62 H A 0028 ARG NH1
C A 0030 ASP OD2 10.20 H A 0028 ARG NH1
C A 0030 ASP OD2 10.91 H A 0028 ARG NH2
E A 0037 ASP OD1 6.148 C A 0008 ARG NH1
E A 0037 ASP OD1 8.233 C A 0008 ARG NH2
E A 0037 ASP OD2 7.561 C A 0008 ARG NH1
E A 0037 ASP OD2 9.525 C A 0008 ARG NH2
E A 0037 ASP OD1 10.01 H A 0018 LYS NZ
E A 0037 ASP OD2 10.79 H A 0018 LYS NZ
E A 0037 ASP OD1 5.971 C A 0039 ARG NH1
E A 0037 ASP OD1 6.671 C A 0039 ARG NH2
E A 0037 ASP OD2 6.395 C A 0039 ARG NH1
E A 0037 ASP OD2 7.729 C A 0039 ARG NH2
C A 0041 GLU OE1 7.901 H A 0051 LYS NZ
C A 0041 GLU OE2 7.049 H A 0051 LYS NZ
H A 0046 GLU OE1 11.69 H A 0045 LYS NZ
H A 0047 ASP OD1 5.011 H A 0051 LYS NZ
H A 0047 ASP OD2 6.454 H A 0051 LYS NZ
H A 0047 ASP OD1 11.15 E A 0068 HIS ND1
H A 0047 ASP OD1 10.16 E A 0068 HIS NE2
H A 0047 ASP OD2 11.99 E A 0068 HIS NE2
C A 0057 GLU OE1 2.590 H A 0045 LYS NZ
C A 0057 GLU OE2 4.189 H A 0045 LYS NZ
C A 0057 GLU OE1 10.93 C A 0054 LYS NZ
C A 0057 GLU OE2 11.91 C A 0054 LYS NZ
C A 0057 GLU OE1 10.74 E A 0068 HIS NE2
H A 0074 ASP OD1 5.377 C A 0054 LYS NZ
H A 0074 ASP OD2 5.836 C A 0054 LYS NZ
H A 0074 ASP OD1 7.154 E A 0068 HIS ND1
H A 0074 ASP OD1 7.439 E A 0068 HIS NE2
H A 0074 ASP OD2 7.299 E A 0068 HIS ND1
H A 0074 ASP OD2 6.914 E A 0068 HIS NE2
H A 0081 GLU OE2 11.85 C A 0054 LYS NZ
H A 0081 GLU OE2 11.51 E A 0068 HIS ND1
H A 0081 GLU OE2 11.47 H A 0080 LYS NZ
C A 0084 ASP OD1 9.033 H A 0028 ARG NH1
C A 0084 ASP OD1 7.970 H A 0028 ARG NH2
C A 0084 ASP OD2 7.639 H A 0028 ARG NH1
C A 0084 ASP OD2 6.785 H A 0028 ARG NH2
C A 0084 ASP OD1 3.185 H A 0080 LYS NZ
C A 0084 ASP OD2 3.456 H A 0080 LYS NZ
CHARGE_REPU 2.00 12.00 69
C A 0008 ARG NH2 11.56 H A 0016 ARG NH1
C A 0008 ARG NH1 4.560 H A 0018 LYS NZ
C A 0008 ARG NH2 3.532 H A 0018 LYS NZ
C A 0008 ARG NH1 9.507 C A 0039 ARG NH1
C A 0008 ARG NH1 9.384 C A 0039 ARG NH2
C A 0008 ARG NH2 10.70 C A 0039 ARG NH1
C A 0008 ARG NH2 10.46 C A 0039 ARG NH2
H A 0016 ARG NH1 9.763 H A 0018 LYS NZ
H A 0016 ARG NH2 11.49 H A 0018 LYS NZ
H A 0016 ARG NH1 10.15 H A 0023 LYS NZ
H A 0016 ARG NH2 9.877 H A 0023 LYS NZ
H A 0016 ARG NH2 11.54 H A 0080 LYS NZ
H A 0019 ASP OD1 6.735 H A 0022 GLU OE1
H A 0019 ASP OD1 6.151 H A 0022 GLU OE2
H A 0019 ASP OD2 8.415 H A 0022 GLU OE1
H A 0019 ASP OD2 7.981 H A 0022 GLU OE2
H A 0019 ASP OD1 10.34 H A 0027 GLU OE1
H A 0019 ASP OD1 9.138 H A 0027 GLU OE2
H A 0019 ASP OD2 10.02 H A 0027 GLU OE1
H A 0019 ASP OD2 8.446 H A 0027 GLU OE2
H A 0022 GLU OE1 11.91 H A 0027 GLU OE1
H A 0022 GLU OE1 11.70 H A 0027 GLU OE2
H A 0022 GLU OE2 10.58 H A 0027 GLU OE1
H A 0022 GLU OE2 10.55 H A 0027 GLU OE2
H A 0023 LYS NZ 10.50 H A 0028 ARG NH1
H A 0023 LYS NZ 10.81 H A 0028 ARG NH2
H A 0027 GLU OE1 8.213 C A 0029 ASP OD1
H A 0027 GLU OE1 8.317 C A 0029 ASP OD2
H A 0027 GLU OE2 9.950 C A 0029 ASP OD1
H A 0027 GLU OE2 9.998 C A 0029 ASP OD2
H A 0027 GLU OE2 11.35 C A 0084 ASP OD2
H A 0028 ARG NH1 9.933 H A 0080 LYS NZ
H A 0028 ARG NH2 8.410 H A 0080 LYS NZ
C A 0029 ASP OD1 9.524 C A 0030 ASP OD1
C A 0029 ASP OD1 9.979 C A 0030 ASP OD2
C A 0029 ASP OD2 9.561 C A 0030 ASP OD1
C A 0029 ASP OD2 9.957 C A 0030 ASP OD2
C A 0030 ASP OD1 9.005 C A 0065 ASP OD1
C A 0030 ASP OD1 9.579 C A 0065 ASP OD2
C A 0030 ASP OD2 7.226 C A 0065 ASP OD1
C A 0030 ASP OD2 7.828 C A 0065 ASP OD2
E A 0037 ASP OD1 9.517 C A 0041 GLU OE1
E A 0037 ASP OD1 8.593 C A 0041 GLU OE2
E A 0037 ASP OD2 9.116 C A 0041 GLU OE1
E A 0037 ASP OD2 8.703 C A 0041 GLU OE2
C A 0041 GLU OE1 7.898 H A 0047 ASP OD1
C A 0041 GLU OE1 8.894 H A 0047 ASP OD2
C A 0041 GLU OE2 6.708 H A 0047 ASP OD1
C A 0041 GLU OE2 8.113 H A 0047 ASP OD2
H A 0045 LYS NZ 11.85 C A 0054 LYS NZ
H A 0045 LYS NZ 10.97 E A 0068 HIS NE2
H A 0046 GLU OE1 9.420 H A 0047 ASP OD1
H A 0046 GLU OE1 8.550 H A 0047 ASP OD2
H A 0046 GLU OE2 8.011 H A 0047 ASP OD1
H A 0046 GLU OE2 6.784 H A 0047 ASP OD2
H A 0046 GLU OE1 9.980 C A 0057 GLU OE1
H A 0046 GLU OE1 10.00 C A 0057 GLU OE2
H A 0046 GLU OE2 11.20 C A 0057 GLU OE1
H A 0046 GLU OE2 11.55 C A 0057 GLU OE2
H A 0047 ASP OD1 11.81 C A 0057 GLU OE1
H A 0051 LYS NZ 8.462 E A 0068 HIS ND1
H A 0051 LYS NZ 8.076 E A 0068 HIS NE2
C A 0054 LYS NZ 5.748 E A 0068 HIS ND1
C A 0054 LYS NZ 6.098 E A 0068 HIS NE2
H A 0074 ASP OD1 10.37 H A 0081 GLU OE1
H A 0074 ASP OD1 8.423 H A 0081 GLU OE2
H A 0074 ASP OD2 10.31 H A 0081 GLU OE2
H A 0081 GLU OE1 11.49 C A 0084 ASP OD1
H A 0081 GLU OE2 11.29 C A 0084 ASP OD1
HB_MM 2.00 3.20 154
E A 0002 GLN N 2.244 C A 0001 MET O
E A 0003 THR N 2.243 E A 0002 GLN O
E A 0003 THR N 3.071 E A 0032 GLN O
E A 0004 VAL N 2.236 E A 0003 THR O
E A 0004 VAL N 2.810 E A 0063 PHE O
E A 0005 ILE N 2.244 E A 0004 VAL O
E A 0005 ILE N 2.795 E A 0034 GLN O
E A 0006 PHE N 2.239 E A 0005 ILE O
E A 0006 PHE N 2.826 E A 0061 GLN O
E A 0007 GLY N 2.250 E A 0006 PHE O
E A 0007 GLY N 2.946 E A 0036 VAL O
C A 0008 ARG N 2.238 E A 0007 GLY O
C A 0009 SER N 2.243 C A 0008 ARG O
C A 0010 GLY N 2.251 C A 0009 SER O
C A 0011 CYS N 2.248 C A 0010 GLY O
C A 0012 PRO N 2.239 C A 0011 CYS O
H A 0013 TYR N 3.192 C A 0011 CYS O
H A 0013 TYR N 2.247 C A 0012 PRO O
H A 0014 SER N 2.221 H A 0013 TYR O
H A 0015 VAL N 3.107 C A 0011 CYS O
H A 0015 VAL N 3.176 C A 0012 PRO O
H A 0015 VAL N 2.256 H A 0014 SER O
H A 0016 ARG N 3.114 C A 0012 PRO O
H A 0016 ARG N 3.057 H A 0014 SER O
H A 0016 ARG N 2.258 H A 0015 VAL O
H A 0017 ALA N 2.817 H A 0014 SER O
H A 0017 ALA N 2.923 H A 0015 VAL O
H A 0017 ALA N 2.231 H A 0016 ARG O
H A 0018 LYS N 2.781 H A 0015 VAL O
H A 0018 LYS N 2.247 H A 0017 ALA O
H A 0019 ASP N 3.112 H A 0015 VAL O
H A 0019 ASP N 2.265 H A 0018 LYS O
H A 0020 LEU N 2.782 H A 0016 ARG O
H A 0020 LEU N 2.247 H A 0019 ASP O
H A 0021 ALA N 2.956 H A 0017 ALA O
H A 0021 ALA N 3.056 H A 0018 LYS O
H A 0021 ALA N 2.241 H A 0020 LEU O
H A 0022 GLU N 2.900 H A 0018 LYS O
H A 0022 GLU N 2.247 H A 0021 ALA O
H A 0023 LYS N 2.799 H A 0019 ASP O
H A 0023 LYS N 2.241 H A 0022 GLU O
H A 0024 LEU N 2.794 H A 0020 LEU O
H A 0024 LEU N 2.240 H A 0023 LYS O
H A 0025 SER N 2.968 H A 0021 ALA O
H A 0025 SER N 2.742 H A 0022 GLU O
H A 0025 SER N 2.236 H A 0024 LEU O
H A 0026 ASN N 2.794 H A 0023 LYS O
H A 0026 ASN N 2.230 H A 0025 SER O
H A 0027 GLU N 2.913 H A 0023 LYS O
H A 0027 GLU N 3.123 H A 0024 LEU O
H A 0027 GLU N 2.244 H A 0026 ASN O
H A 0028 ARG N 2.797 H A 0024 LEU O
H A 0028 ARG N 2.250 H A 0027 GLU O
C A 0029 ASP N 2.260 H A 0028 ARG O
C A 0030 ASP N 2.251 C A 0029 ASP O
E A 0031 PHE N 2.247 C A 0030 ASP O
E A 0032 GLN N 2.249 E A 0031 PHE O
E A 0033 TYR N 2.245 E A 0032 GLN O
E A 0034 GLN N 2.808 E A 0003 THR O
E A 0034 GLN N 2.243 E A 0033 TYR O
E A 0035 TYR N 2.226 E A 0034 GLN O
E A 0036 VAL N 2.779 E A 0005 ILE O
E A 0036 VAL N 2.260 E A 0035 TYR O
E A 0037 ASP N 2.256 E A 0036 VAL O
C A 0038 ILE N 2.252 E A 0037 ASP O
C A 0039 ARG N 3.032 E A 0037 ASP O
C A 0039 ARG N 2.242 C A 0038 ILE O
C A 0040 ALA N 2.863 E A 0037 ASP O
C A 0040 ALA N 2.230 C A 0039 ARG O
C A 0041 GLU N 2.978 E A 0037 ASP O
C A 0041 GLU N 2.250 C A 0040 ALA O
C A 0042 GLY N 2.780 C A 0038 ILE O
C A 0042 GLY N 2.241 C A 0041 GLU O
C A 0043 ILE N 2.260 C A 0042 GLY O
H A 0044 THR N 2.251 C A 0043 ILE O
H A 0045 LYS N 2.237 H A 0044 THR O
H A 0046 GLU N 2.258 H A 0045 LYS O
H A 0047 ASP N 2.266 H A 0046 GLU O
H A 0048 LEU N 2.913 H A 0044 THR O
H A 0048 LEU N 2.246 H A 0047 ASP O
H A 0049 GLN N 3.085 H A 0045 LYS O
H A 0049 GLN N 3.055 H A 0046 GLU O
H A 0049 GLN N 2.232 H A 0048 LEU O
H A 0050 GLN N 2.809 H A 0046 GLU O
H A 0050 GLN N 2.941 H A 0047 ASP O
H A 0050 GLN N 2.236 H A 0049 GLN O
H A 0051 LYS N 2.749 H A 0047 ASP O
H A 0051 LYS N 2.242 H A 0050 GLN O
H A 0052 ALA N 2.776 H A 0048 LEU O
H A 0052 ALA N 2.249 H A 0051 LYS O
H A 0053 GLY N 2.993 H A 0049 GLN O
H A 0053 GLY N 2.886 H A 0050 GLN O
H A 0053 GLY N 3.108 H A 0051 LYS O
H A 0053 GLY N 2.248 H A 0052 ALA O
C A 0054 LYS N 2.954 H A 0049 GLN O
C A 0054 LYS N 2.247 H A 0053 GLY O
C A 0055 PRO N 2.249 C A 0054 LYS O
C A 0056 VAL N 2.716 C A 0054 LYS O
C A 0056 VAL N 2.232 C A 0055 PRO O
C A 0057 GLU N 2.263 C A 0056 VAL O
C A 0058 THR N 2.230 C A 0057 GLU O
C A 0059 VAL N 2.241 C A 0058 THR O
C A 0060 PRO N 2.233 C A 0059 VAL O
E A 0061 GLN N 2.256 C A 0060 PRO O
E A 0062 ILE N 2.251 E A 0061 GLN O
E A 0063 PHE N 2.866 E A 0004 VAL O
E A 0063 PHE N 2.250 E A 0062 ILE O
E A 0064 VAL N 2.243 E A 0063 PHE O
E A 0064 VAL N 2.918 E A 0067 GLN O
C A 0065 ASP N 2.808 E A 0002 GLN O
C A 0065 ASP N 2.252 E A 0064 VAL O
C A 0066 GLN N 3.184 E A 0064 VAL O
C A 0066 GLN N 2.253 C A 0065 ASP O
E A 0067 GLN N 2.817 E A 0064 VAL O
E A 0067 GLN N 2.894 C A 0065 ASP O
E A 0067 GLN N 2.244 C A 0066 GLN O
E A 0068 HIS N 2.257 E A 0067 GLN O
E A 0069 ILE N 3.151 E A 0062 ILE O
E A 0069 ILE N 2.249 E A 0068 HIS O
C A 0070 GLY N 2.242 E A 0069 ILE O
H A 0071 GLY N 2.240 C A 0070 GLY O
H A 0072 TYR N 2.237 H A 0071 GLY O
H A 0073 THR N 2.230 H A 0072 TYR O
H A 0074 ASP N 2.245 H A 0073 THR O
H A 0075 PHE N 2.813 H A 0071 GLY O
H A 0075 PHE N 2.963 H A 0072 TYR O
H A 0075 PHE N 2.234 H A 0074 ASP O
H A 0076 ALA N 2.878 H A 0072 TYR O
H A 0076 ALA N 2.248 H A 0075 PHE O
H A 0077 ALA N 2.866 H A 0073 THR O
H A 0077 ALA N 3.151 H A 0074 ASP O
H A 0077 ALA N 2.252 H A 0076 ALA O
H A 0078 TRP N 2.767 H A 0074 ASP O
H A 0078 TRP N 2.244 H A 0077 ALA O
H A 0079 VAL N 3.022 H A 0075 PHE O
H A 0079 VAL N 2.252 H A 0078 TRP O
H A 0080 LYS N 2.849 H A 0076 ALA O
H A 0080 LYS N 3.066 H A 0077 ALA O
H A 0080 LYS N 3.151 H A 0078 TRP O
H A 0080 LYS N 2.242 H A 0079 VAL O
H A 0081 GLU N 2.889 H A 0077 ALA O
H A 0081 GLU N 2.230 H A 0080 LYS O
H A 0082 ASN N 2.882 H A 0078 TRP O
H A 0082 ASN N 2.809 H A 0080 LYS O
H A 0082 ASN N 2.254 H A 0081 GLU O
H A 0083 LEU N 2.782 H A 0079 VAL O
H A 0083 LEU N 3.074 H A 0080 LYS O
H A 0083 LEU N 2.243 H A 0082 ASN O
C A 0084 ASP N 2.910 H A 0079 VAL O
C A 0084 ASP N 3.164 H A 0080 LYS O
C A 0084 ASP N 2.245 H A 0083 LEU O
C A 0085 ALA N 2.688 H A 0080 LYS O
C A 0085 ALA N 3.186 H A 0083 LEU O
C A 0085 ALA N 2.248 C A 0084 ASP O
HB_MS 2.00 3.20 16
C A 0001 MET N 2.742 C A 0030 ASP OD2
E A 0002 GLN N 2.789 C A 0065 ASP OD1
E A 0007 GLY O 2.708 E A 0035 TYR OH
C A 0010 GLY N 2.786 C A 0009 SER OG
C A 0011 CYS O 2.672 H A 0014 SER OG
H A 0015 VAL N 2.769 H A 0014 SER OG
H A 0022 GLU O 2.771 H A 0026 ASN ND2
E A 0031 PHE O 2.866 H A 0025 SER OG
E A 0032 GLN N 3.180 E A 0002 GLN OE1
E A 0035 TYR O 2.937 E A 0034 GLN NE2
H A 0046 GLU O 2.931 H A 0050 GLN NE2
H A 0047 ASP N 2.837 H A 0044 THR OG1
H A 0048 LEU N 3.183 H A 0047 ASP OD1
C A 0057 GLU O 2.659 H A 0045 LYS NZ
H A 0071 GLY N 2.741 H A 0074 ASP OD2
H A 0078 TRP O 2.845 H A 0082 ASN ND2
HB_SS 2.00 3.20 2
C A 0008 ARG NH1 2.783 E A 0035 TYR OH
H A 0022 GLU OE1 2.653 E A 0033 TYR OH
AROMATIC 0.00 8.00 8
H A 0028 ARG 7.124 E A 0031 PHE
H A 0013 TYR 5.977 H A 0072 TYR
H A 0018 LYS 7.787 E A 0033 TYR
C A 0008 ARG 4.079 E A 0035 TYR
H A 0051 LYS 4.670 E A 0006 PHE
H A 0051 LYS 7.618 E A 0068 HIS
C A 0054 LYS 6.419 E A 0068 HIS
E A 0063 PHE 5.132 E A 0068 HIS