Complet list of 1pu1 con file
Complete list of 1pu1.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 349
C A 0001 MET C 2.488 C A 0002 SER CA
C A 0001 MET C 3.730 C A 0002 SER C
C A 0001 MET C 3.235 C A 0002 SER CB
C A 0002 SER C 2.492 C A 0003 LEU CA
C A 0002 SER C 3.531 C A 0003 LEU C
C A 0002 SER C 3.510 C A 0003 LEU CB
C A 0003 LEU C 2.512 C A 0004 ARG CA
C A 0003 LEU C 3.569 C A 0004 ARG C
C A 0003 LEU C 3.511 C A 0004 ARG CB
C A 0003 LEU C 3.723 C A 0004 ARG CG
C A 0003 LEU CD1 3.608 C A 0006 LEU CD2
C A 0004 ARG C 2.483 C A 0005 LYS CA
C A 0004 ARG C 3.062 C A 0005 LYS C
C A 0004 ARG C 3.773 C A 0005 LYS CB
C A 0005 LYS C 2.448 C A 0006 LEU CA
C A 0005 LYS C 3.140 C A 0006 LEU C
C A 0005 LYS C 3.709 C A 0006 LEU CB
C A 0006 LEU C 2.485 H A 0007 THR CA
C A 0006 LEU C 3.578 H A 0007 THR C
C A 0006 LEU C 3.426 H A 0007 THR CB
C A 0006 LEU CA 3.788 H A 0010 ASP CG
C A 0006 LEU CD2 3.561 H A 0010 ASP CB
H A 0007 THR C 2.498 H A 0008 GLU CA
H A 0007 THR C 3.006 H A 0008 GLU C
H A 0007 THR C 3.733 H A 0008 GLU CB
H A 0008 GLU C 2.474 H A 0009 GLY CA
H A 0008 GLU C 3.103 H A 0009 GLY C
H A 0009 GLY C 2.480 H A 0010 ASP CA
H A 0009 GLY C 3.074 H A 0010 ASP C
H A 0009 GLY C 3.744 H A 0010 ASP CB
H A 0010 ASP C 2.467 H A 0011 LEU CA
H A 0010 ASP C 3.108 H A 0011 LEU C
H A 0010 ASP C 3.704 H A 0011 LEU CB
H A 0011 LEU C 2.471 H A 0012 ASP CA
H A 0011 LEU C 3.211 H A 0012 ASP C
H A 0011 LEU C 3.757 H A 0012 ASP CB
H A 0011 LEU CB 3.749 E A 0044 VAL CG1
H A 0011 LEU CD2 3.743 E A 0044 VAL CG2
H A 0012 ASP C 2.444 H A 0013 GLU CA
H A 0012 ASP C 2.956 H A 0013 GLU C
H A 0012 ASP C 3.752 H A 0013 GLU CB
H A 0013 GLU C 2.475 H A 0014 ILE CA
H A 0013 GLU C 3.143 H A 0014 ILE C
H A 0013 GLU C 3.738 H A 0014 ILE CB
H A 0014 ILE C 2.479 H A 0015 SER CA
H A 0014 ILE C 3.056 H A 0015 SER C
H A 0014 ILE C 3.781 H A 0015 SER CB
H A 0014 ILE CG2 3.771 H A 0018 LEU CD1
H A 0015 SER C 2.489 H A 0016 SER CA
H A 0015 SER C 3.153 H A 0016 SER C
H A 0015 SER C 3.718 H A 0016 SER CB
H A 0016 SER C 2.464 H A 0017 PHE CA
H A 0016 SER C 3.052 H A 0017 PHE C
H A 0016 SER C 3.736 H A 0017 PHE CB
H A 0017 PHE C 2.471 H A 0018 LEU CA
H A 0017 PHE C 3.110 H A 0018 LEU C
H A 0017 PHE C 3.722 H A 0018 LEU CB
H A 0018 LEU C 2.466 H A 0019 HIS CA
H A 0018 LEU C 3.045 H A 0019 HIS C
H A 0018 LEU C 3.733 H A 0019 HIS CB
H A 0018 LEU CD1 3.656 E A 0042 VAL CG1
H A 0019 HIS C 2.454 H A 0020 ASN CA
H A 0019 HIS C 3.030 H A 0020 ASN C
H A 0019 HIS C 3.760 H A 0020 ASN CB
H A 0019 HIS CD2 3.748 E A 0040 ILE CB
H A 0019 HIS CD2 3.678 E A 0040 ILE CG2
H A 0020 ASN C 2.463 H A 0021 THR CA
H A 0020 ASN C 3.035 H A 0021 THR C
H A 0020 ASN C 3.759 H A 0021 THR CB
H A 0021 THR C 2.467 H A 0022 ILE CA
H A 0021 THR C 3.087 H A 0022 ILE C
H A 0021 THR C 3.760 H A 0022 ILE CB
H A 0022 ILE C 2.467 H A 0023 SER CA
H A 0022 ILE C 3.067 H A 0023 SER C
H A 0022 ILE C 3.725 H A 0023 SER CB
H A 0022 ILE CG2 3.455 E A 0040 ILE CD1
H A 0022 ILE CD1 3.362 E A 0054 ILE CG2
H A 0022 ILE CG2 3.577 H A 0074 ALA CB
H A 0022 ILE CG1 3.561 H A 0078 ALA CB
H A 0023 SER C 2.474 H A 0024 ASP CA
H A 0023 SER C 3.103 H A 0024 ASP C
H A 0023 SER C 3.741 H A 0024 ASP CB
H A 0024 ASP C 2.453 H A 0025 PHE CA
H A 0024 ASP C 3.088 H A 0025 PHE C
H A 0024 ASP C 3.727 H A 0025 PHE CB
H A 0025 PHE C 2.461 H A 0026 ILE CA
H A 0025 PHE C 3.003 H A 0026 ILE C
H A 0025 PHE C 3.733 H A 0026 ILE CB
H A 0025 PHE CD1 3.710 C A 0029 ARG CD
H A 0025 PHE CE1 3.770 C A 0029 ARG CG
H A 0025 PHE CE1 3.175 C A 0029 ARG CD
H A 0025 PHE CZ 3.634 C A 0029 ARG CD
H A 0025 PHE CE1 3.546 H A 0073 GLU C
H A 0025 PHE CE1 3.387 H A 0073 GLU CB
H A 0025 PHE CZ 3.707 H A 0073 GLU CB
H A 0025 PHE CD1 3.375 H A 0074 ALA CA
H A 0025 PHE CD1 3.591 H A 0074 ALA CB
H A 0025 PHE CD2 3.359 H A 0077 ALA CB
H A 0025 PHE CE2 3.405 H A 0077 ALA CB
H A 0026 ILE C 2.471 H A 0027 LEU CA
H A 0026 ILE C 3.139 H A 0027 LEU C
H A 0026 ILE C 3.734 H A 0027 LEU CB
H A 0026 ILE CG2 3.487 E A 0035 ILE CD1
H A 0026 ILE CG1 3.798 H A 0074 ALA CB
H A 0027 LEU C 2.496 H A 0028 LYS CA
H A 0027 LEU C 3.343 H A 0028 LYS C
H A 0027 LEU C 3.695 H A 0028 LYS CB
H A 0028 LYS C 2.506 C A 0029 ARG CA
H A 0028 LYS C 3.551 C A 0029 ARG C
H A 0028 LYS C 3.538 C A 0029 ARG CB
H A 0028 LYS C 3.760 C A 0029 ARG CD
C A 0029 ARG C 2.495 C A 0030 VAL CA
C A 0029 ARG C 3.710 C A 0030 VAL C
C A 0029 ARG C 3.239 C A 0030 VAL CB
C A 0029 ARG CB 3.555 H A 0070 ILE CG1
C A 0029 ARG CB 3.748 H A 0070 ILE CD1
C A 0029 ARG CG 3.359 H A 0070 ILE CG1
C A 0030 VAL C 2.472 C A 0031 SER CA
C A 0030 VAL C 3.176 C A 0031 SER C
C A 0030 VAL C 3.744 C A 0031 SER CB
C A 0030 VAL CG2 3.736 E A 0060 LEU CD2
C A 0031 SER C 2.485 C A 0032 ALA CA
C A 0031 SER C 3.047 C A 0032 ALA C
C A 0031 SER C 3.721 C A 0032 ALA CB
C A 0031 SER CB 3.794 C A 0034 GLU CG
C A 0031 SER CB 3.766 C A 0034 GLU CD
C A 0032 ALA C 2.497 C A 0033 LYS CA
C A 0032 ALA C 3.408 C A 0033 LYS C
C A 0032 ALA C 3.638 C A 0033 LYS CB
C A 0033 LYS C 2.508 C A 0034 GLU CA
C A 0033 LYS C 3.371 C A 0034 GLU C
C A 0033 LYS C 3.692 C A 0034 GLU CB
C A 0034 GLU C 2.547 E A 0035 ILE CA
C A 0034 GLU C 3.298 E A 0035 ILE C
C A 0034 GLU C 3.724 E A 0035 ILE CB
C A 0034 GLU C 3.620 E A 0060 LEU CD2
E A 0035 ILE C 2.477 E A 0036 VAL CA
E A 0035 ILE C 3.131 E A 0036 VAL C
E A 0035 ILE C 3.738 E A 0036 VAL CB
E A 0035 ILE CG2 3.623 E A 0037 ASP CA
E A 0035 ILE CG2 3.515 E A 0037 ASP C
E A 0035 ILE CG1 3.721 E A 0058 LEU CD2
E A 0035 ILE CD1 3.609 E A 0058 LEU CD2
E A 0035 ILE CG1 3.755 E A 0060 LEU CD2
E A 0036 VAL C 2.477 E A 0037 ASP CA
E A 0036 VAL C 3.776 E A 0037 ASP C
E A 0036 VAL C 3.158 E A 0037 ASP CB
E A 0036 VAL CG2 3.645 C A 0061 ASP CA
E A 0037 ASP C 2.493 E A 0038 ILE CA
E A 0037 ASP C 3.609 E A 0038 ILE C
E A 0037 ASP C 3.473 E A 0038 ILE CB
E A 0037 ASP C 3.563 E A 0038 ILE CG2
E A 0038 ILE C 2.472 E A 0039 ASP CA
E A 0038 ILE C 3.538 E A 0039 ASP C
E A 0038 ILE C 3.451 E A 0039 ASP CB
E A 0038 ILE C 3.672 E A 0039 ASP CG
E A 0038 ILE CG2 3.766 E A 0058 LEU CD2
E A 0039 ASP C 2.470 E A 0040 ILE CA
E A 0039 ASP C 3.558 E A 0040 ILE C
E A 0039 ASP C 3.440 E A 0040 ILE CB
E A 0039 ASP C 3.479 E A 0040 ILE CG1
E A 0040 ILE C 2.476 E A 0041 THR CA
E A 0040 ILE C 3.487 E A 0041 THR C
E A 0040 ILE C 3.531 E A 0041 THR CB
E A 0040 ILE CG1 3.708 E A 0056 ALA CB
E A 0041 THR C 2.468 E A 0042 VAL CA
E A 0041 THR C 3.364 E A 0042 VAL C
E A 0041 THR C 3.608 E A 0042 VAL CB
E A 0041 THR C 3.775 E A 0042 VAL CG2
E A 0041 THR CG2 3.746 E A 0043 LEU CD1
E A 0042 VAL C 2.467 E A 0043 LEU CA
E A 0042 VAL C 3.471 E A 0043 LEU C
E A 0042 VAL C 3.536 E A 0043 LEU CB
E A 0042 VAL C 3.671 E A 0043 LEU CG
E A 0043 LEU C 2.460 E A 0044 VAL CA
E A 0043 LEU C 3.599 E A 0044 VAL C
E A 0043 LEU C 3.318 E A 0044 VAL CB
E A 0044 VAL C 2.471 E A 0045 GLU CA
E A 0044 VAL C 3.657 E A 0045 GLU C
E A 0044 VAL C 3.302 E A 0045 GLU CB
E A 0045 GLU C 2.448 E A 0046 TYR CA
E A 0045 GLU C 3.616 E A 0046 TYR C
E A 0045 GLU C 3.304 E A 0046 TYR CB
E A 0046 TYR C 2.489 C A 0047 THR CA
E A 0046 TYR C 3.586 C A 0047 THR C
E A 0046 TYR C 3.430 C A 0047 THR CB
E A 0046 TYR CE1 3.752 C A 0048 ASP CA
E A 0046 TYR CE1 3.388 C A 0048 ASP C
E A 0046 TYR CE2 3.725 E A 0050 LEU CB
C A 0047 THR C 2.531 C A 0048 ASP CA
C A 0047 THR C 3.188 C A 0048 ASP C
C A 0047 THR C 3.178 C A 0048 ASP CB
C A 0048 ASP C 2.502 C A 0049 GLU CA
C A 0048 ASP C 3.469 C A 0049 GLU C
C A 0048 ASP C 3.604 C A 0049 GLU CB
C A 0049 GLU C 2.501 E A 0050 LEU CA
C A 0049 GLU C 3.340 E A 0050 LEU C
C A 0049 GLU C 3.641 E A 0050 LEU CB
E A 0050 LEU C 2.475 E A 0051 LYS CA
E A 0050 LEU C 3.554 E A 0051 LYS C
E A 0050 LEU C 3.488 E A 0051 LYS CB
E A 0050 LEU CD2 3.713 E A 0052 VAL CG2
E A 0051 LYS C 2.496 E A 0052 VAL CA
E A 0051 LYS C 3.574 E A 0052 VAL C
E A 0051 LYS C 3.474 E A 0052 VAL CB
E A 0051 LYS C 3.481 E A 0052 VAL CG2
E A 0052 VAL C 2.467 E A 0053 ASP CA
E A 0052 VAL C 3.566 E A 0053 ASP C
E A 0052 VAL C 3.410 E A 0053 ASP CB
E A 0052 VAL C 3.367 E A 0053 ASP CG
E A 0053 ASP C 2.457 E A 0054 ILE CA
E A 0053 ASP C 3.482 E A 0054 ILE C
E A 0053 ASP C 3.494 E A 0054 ILE CB
E A 0053 ASP C 3.542 E A 0054 ILE CG1
E A 0054 ILE C 2.475 E A 0055 SER CA
E A 0054 ILE C 3.519 E A 0055 SER C
E A 0054 ILE C 3.474 E A 0055 SER CB
E A 0054 ILE CG2 3.448 H A 0075 VAL CG1
E A 0054 ILE CB 3.680 H A 0079 TYR CZ
E A 0054 ILE CG1 3.729 H A 0079 TYR CE1
E A 0054 ILE CD1 3.762 H A 0079 TYR CE1
E A 0055 SER C 2.466 E A 0056 ALA CA
E A 0055 SER C 3.590 E A 0056 ALA C
E A 0055 SER C 3.396 E A 0056 ALA CB
E A 0056 ALA C 2.488 E A 0057 GLU CA
E A 0056 ALA C 3.567 E A 0057 GLU C
E A 0056 ALA C 3.460 E A 0057 GLU CB
E A 0057 GLU C 2.481 E A 0058 LEU CA
E A 0057 GLU C 3.536 E A 0058 LEU C
E A 0057 GLU C 3.385 E A 0058 LEU CB
E A 0057 GLU CB 3.712 E A 0059 TYR CZ
E A 0057 GLU CD 3.386 E A 0059 TYR CE1
E A 0057 GLU CD 3.466 E A 0059 TYR CZ
E A 0058 LEU C 2.449 E A 0059 TYR CA
E A 0058 LEU C 3.431 E A 0059 TYR C
E A 0058 LEU C 3.495 E A 0059 TYR CB
E A 0058 LEU C 3.632 E A 0059 TYR CG
E A 0058 LEU C 3.591 E A 0059 TYR CD1
E A 0058 LEU CD1 3.722 E A 0060 LEU CG
E A 0058 LEU CD1 3.777 E A 0060 LEU CD1
E A 0058 LEU CB 3.734 H A 0071 VAL CG1
E A 0058 LEU CB 3.731 H A 0071 VAL CG2
E A 0059 TYR C 2.494 E A 0060 LEU CA
E A 0059 TYR C 3.290 E A 0060 LEU C
E A 0059 TYR C 3.691 E A 0060 LEU CB
E A 0060 LEU C 2.459 C A 0061 ASP CA
E A 0060 LEU C 3.059 C A 0061 ASP C
E A 0060 LEU C 3.745 C A 0061 ASP CB
E A 0060 LEU CD1 3.702 C A 0066 ALA CB
C A 0061 ASP C 2.546 C A 0062 GLU CA
C A 0061 ASP C 3.252 C A 0062 GLU C
C A 0061 ASP C 3.761 C A 0062 GLU CB
C A 0062 GLU C 2.520 C A 0063 LEU CA
C A 0062 GLU C 3.753 C A 0063 LEU C
C A 0062 GLU C 3.181 C A 0063 LEU CB
C A 0063 LEU C 2.498 C A 0064 SER CA
C A 0063 LEU C 3.148 C A 0064 SER C
C A 0063 LEU C 3.728 C A 0064 SER CB
C A 0064 SER C 2.487 C A 0065 ASP CA
C A 0064 SER C 3.666 C A 0065 ASP C
C A 0064 SER C 3.252 C A 0065 ASP CB
C A 0065 ASP C 2.494 C A 0066 ALA CA
C A 0065 ASP C 3.673 C A 0066 ALA C
C A 0065 ASP C 3.334 C A 0066 ALA CB
C A 0066 ALA C 2.452 C A 0067 ASP CA
C A 0066 ALA C 3.284 C A 0067 ASP C
C A 0066 ALA C 3.671 C A 0067 ASP CB
C A 0067 ASP CA 2.930 C A 0068 PRO CD
C A 0067 ASP C 2.524 C A 0068 PRO CA
C A 0067 ASP C 3.272 C A 0068 PRO C
C A 0067 ASP C 3.686 C A 0068 PRO CB
C A 0067 ASP C 3.711 C A 0068 PRO CG
C A 0067 ASP C 2.497 C A 0068 PRO CD
C A 0067 ASP CB 3.625 C A 0068 PRO CD
C A 0068 PRO C 2.504 H A 0069 GLY CA
H A 0069 GLY C 2.495 H A 0070 ILE CA
H A 0069 GLY C 3.146 H A 0070 ILE C
H A 0069 GLY C 3.725 H A 0070 ILE CB
H A 0070 ILE C 2.493 H A 0071 VAL CA
H A 0070 ILE C 3.222 H A 0071 VAL C
H A 0070 ILE C 3.765 H A 0071 VAL CB
H A 0071 VAL C 2.495 H A 0072 ASP CA
H A 0071 VAL C 3.049 H A 0072 ASP C
H A 0071 VAL C 3.746 H A 0072 ASP CB
H A 0072 ASP C 2.466 H A 0073 GLU CA
H A 0072 ASP C 3.056 H A 0073 GLU C
H A 0072 ASP C 3.760 H A 0073 GLU CB
H A 0073 GLU C 2.452 H A 0074 ALA CA
H A 0073 GLU C 3.114 H A 0074 ALA C
H A 0073 GLU C 3.714 H A 0074 ALA CB
H A 0074 ALA C 2.455 H A 0075 VAL CA
H A 0074 ALA C 3.084 H A 0075 VAL C
H A 0074 ALA C 3.756 H A 0075 VAL CB
H A 0075 VAL C 2.492 H A 0076 ASP CA
H A 0075 VAL C 3.083 H A 0076 ASP C
H A 0075 VAL C 3.732 H A 0076 ASP CB
H A 0075 VAL C 3.509 H A 0079 TYR CD2
H A 0075 VAL CG1 3.409 H A 0079 TYR CE2
H A 0076 ASP C 2.447 H A 0077 ALA CA
H A 0076 ASP C 3.045 H A 0077 ALA C
H A 0076 ASP C 3.719 H A 0077 ALA CB
H A 0077 ALA C 2.449 H A 0078 ALA CA
H A 0077 ALA C 3.069 H A 0078 ALA C
H A 0077 ALA C 3.723 H A 0078 ALA CB
H A 0078 ALA C 2.447 H A 0079 TYR CA
H A 0078 ALA C 3.079 H A 0079 TYR C
H A 0078 ALA C 3.731 H A 0079 TYR CB
H A 0079 TYR C 2.463 H A 0080 ARG CA
H A 0079 TYR C 3.178 H A 0080 ARG C
H A 0079 TYR C 3.719 H A 0080 ARG CB
H A 0080 ARG C 2.450 H A 0081 SER CA
H A 0080 ARG C 3.090 H A 0081 SER C
H A 0080 ARG C 3.743 H A 0081 SER CB
H A 0081 SER C 2.466 H A 0082 LEU CA
H A 0081 SER C 3.089 H A 0082 LEU C
H A 0081 SER C 3.727 H A 0082 LEU CB
H A 0082 LEU C 2.461 H A 0083 GLU CA
H A 0082 LEU C 3.042 H A 0083 GLU C
H A 0082 LEU C 3.742 H A 0083 GLU CB
H A 0083 GLU C 2.445 H A 0084 SER CA
H A 0083 GLU C 3.208 H A 0084 SER C
H A 0083 GLU C 3.700 H A 0084 SER CB
H A 0084 SER C 2.437 H A 0085 PHE CA
H A 0084 SER C 3.003 H A 0085 PHE C
H A 0084 SER C 3.716 H A 0085 PHE CB
H A 0084 SER CA 3.781 H A 0087 ASP CG
H A 0084 SER C 3.724 H A 0087 ASP CG
H A 0085 PHE C 2.460 H A 0086 LEU CA
H A 0085 PHE C 3.182 H A 0086 LEU C
H A 0085 PHE C 3.734 H A 0086 LEU CB
H A 0085 PHE CZ 3.776 H A 0089 PHE CE2
H A 0086 LEU C 2.454 H A 0087 ASP CA
H A 0086 LEU C 3.008 H A 0087 ASP C
H A 0086 LEU C 3.787 H A 0087 ASP CB
H A 0087 ASP C 2.489 H A 0088 GLY CA
H A 0087 ASP C 3.211 H A 0088 GLY C
H A 0088 GLY C 2.484 H A 0089 PHE CA
H A 0088 GLY C 3.686 H A 0089 PHE C
H A 0088 GLY C 3.390 H A 0089 PHE CB
H A 0088 GLY C 3.494 H A 0089 PHE CG
H A 0088 GLY C 3.711 H A 0089 PHE CD1
H A 0089 PHE C 2.503 H A 0090 ARG CA
H A 0089 PHE C 3.570 H A 0090 ARG C
H A 0089 PHE C 3.554 H A 0090 ARG CB
H A 0089 PHE C 3.342 H A 0090 ARG CD
H A 0089 PHE CB 3.653 H A 0090 ARG CD
H A 0090 ARG C 2.507 H A 0091 GLU CA
H A 0090 ARG C 3.059 H A 0091 GLU C
H A 0090 ARG C 3.230 H A 0091 GLU CB
CHARGE_ATTR 2.00 12.00 72
H A 0010 ASP OD1 9.678 C A 0004 ARG NH1
H A 0010 ASP OD1 10.01 C A 0004 ARG NH2
H A 0010 ASP OD2 7.965 C A 0004 ARG NH1
H A 0010 ASP OD2 8.119 C A 0004 ARG NH2
H A 0010 ASP OD1 10.22 C A 0005 LYS NZ
H A 0010 ASP OD2 9.706 C A 0005 LYS NZ
H A 0010 ASP OD1 11.13 H A 0090 ARG NH2
H A 0010 ASP OD2 11.67 H A 0090 ARG NH1
H A 0010 ASP OD2 10.25 H A 0090 ARG NH2
H A 0012 ASP OD1 8.766 H A 0019 HIS ND1
H A 0012 ASP OD1 10.67 H A 0019 HIS NE2
H A 0012 ASP OD2 10.46 H A 0019 HIS ND1
H A 0013 GLU OE1 10.75 C A 0004 ARG NH1
H A 0013 GLU OE1 11.16 C A 0004 ARG NH2
H A 0013 GLU OE2 11.85 C A 0004 ARG NH1
H A 0024 ASP OD1 9.658 H A 0019 HIS ND1
H A 0024 ASP OD1 9.207 H A 0019 HIS NE2
H A 0024 ASP OD2 8.762 H A 0019 HIS ND1
H A 0024 ASP OD2 8.715 H A 0019 HIS NE2
H A 0024 ASP OD1 8.886 H A 0028 LYS NZ
H A 0024 ASP OD2 9.001 H A 0028 LYS NZ
C A 0034 GLU OE1 11.85 C A 0029 ARG NH1
C A 0034 GLU OE1 11.06 C A 0029 ARG NH2
C A 0034 GLU OE1 10.57 C A 0033 LYS NZ
C A 0034 GLU OE2 11.20 C A 0033 LYS NZ
E A 0037 ASP OD1 10.47 H A 0019 HIS ND1
E A 0037 ASP OD1 8.532 H A 0019 HIS NE2
E A 0037 ASP OD2 10.28 H A 0019 HIS NE2
E A 0039 ASP OD1 10.38 H A 0019 HIS ND1
E A 0039 ASP OD1 8.926 H A 0019 HIS NE2
E A 0039 ASP OD2 11.60 H A 0019 HIS ND1
E A 0039 ASP OD2 9.860 H A 0019 HIS NE2
E A 0045 GLU OE1 7.778 E A 0051 LYS NZ
E A 0045 GLU OE2 9.710 E A 0051 LYS NZ
C A 0048 ASP OD1 11.91 E A 0051 LYS NZ
C A 0048 ASP OD2 10.60 E A 0051 LYS NZ
C A 0049 GLU OE1 4.811 E A 0051 LYS NZ
C A 0049 GLU OE2 2.633 E A 0051 LYS NZ
E A 0053 ASP OD1 6.696 E A 0051 LYS NZ
E A 0053 ASP OD2 7.018 E A 0051 LYS NZ
C A 0067 ASP OD1 6.109 C A 0029 ARG NH1
C A 0067 ASP OD1 6.693 C A 0029 ARG NH2
C A 0067 ASP OD2 6.746 C A 0029 ARG NH1
C A 0067 ASP OD2 7.458 C A 0029 ARG NH2
H A 0072 ASP OD2 11.36 C A 0029 ARG NH1
H A 0072 ASP OD1 11.64 H A 0080 ARG NH1
H A 0072 ASP OD1 9.715 H A 0080 ARG NH2
H A 0072 ASP OD2 10.47 H A 0080 ARG NH1
H A 0072 ASP OD2 8.463 H A 0080 ARG NH2
H A 0073 GLU OE1 9.627 H A 0028 LYS NZ
H A 0073 GLU OE2 11.75 H A 0028 LYS NZ
H A 0073 GLU OE1 2.679 C A 0029 ARG NH1
H A 0073 GLU OE1 4.884 C A 0029 ARG NH2
H A 0073 GLU OE2 3.858 C A 0029 ARG NH1
H A 0073 GLU OE2 5.974 C A 0029 ARG NH2
H A 0073 GLU OE1 10.69 H A 0080 ARG NH1
H A 0073 GLU OE1 8.714 H A 0080 ARG NH2
H A 0073 GLU OE2 11.84 H A 0080 ARG NH1
H A 0073 GLU OE2 9.751 H A 0080 ARG NH2
H A 0076 ASP OD1 11.99 C A 0029 ARG NH1
H A 0076 ASP OD2 9.840 C A 0029 ARG NH1
H A 0076 ASP OD2 11.78 C A 0029 ARG NH2
H A 0076 ASP OD1 4.802 H A 0080 ARG NH1
H A 0076 ASP OD1 3.527 H A 0080 ARG NH2
H A 0076 ASP OD2 4.680 H A 0080 ARG NH1
H A 0076 ASP OD2 2.636 H A 0080 ARG NH2
H A 0083 GLU OE1 7.473 H A 0080 ARG NH1
H A 0083 GLU OE1 8.126 H A 0080 ARG NH2
H A 0083 GLU OE2 8.769 H A 0080 ARG NH1
H A 0083 GLU OE2 9.745 H A 0080 ARG NH2
H A 0087 ASP OD2 11.76 H A 0080 ARG NH1
H A 0091 GLU OE1 11.68 H A 0090 ARG NH1
CHARGE_REPU 2.00 12.00 107
C A 0004 ARG NH1 7.418 C A 0005 LYS NZ
C A 0004 ARG NH2 7.391 C A 0005 LYS NZ
C A 0004 ARG NH2 11.33 H A 0090 ARG NH1
C A 0004 ARG NH2 11.44 H A 0090 ARG NH2
H A 0008 GLU OE1 8.560 H A 0010 ASP OD1
H A 0008 GLU OE1 10.75 H A 0010 ASP OD2
H A 0008 GLU OE2 9.787 H A 0010 ASP OD1
H A 0008 GLU OE2 11.99 H A 0010 ASP OD2
H A 0008 GLU OE1 9.885 H A 0012 ASP OD1
H A 0008 GLU OE1 7.905 H A 0012 ASP OD2
H A 0008 GLU OE2 8.734 H A 0012 ASP OD1
H A 0008 GLU OE2 6.742 H A 0012 ASP OD2
H A 0010 ASP OD1 10.15 H A 0012 ASP OD1
H A 0010 ASP OD1 9.479 H A 0012 ASP OD2
H A 0010 ASP OD2 11.48 H A 0012 ASP OD1
H A 0010 ASP OD2 11.09 H A 0012 ASP OD2
H A 0010 ASP OD1 5.732 H A 0013 GLU OE1
H A 0010 ASP OD1 7.937 H A 0013 GLU OE2
H A 0010 ASP OD2 5.045 H A 0013 GLU OE1
H A 0010 ASP OD2 7.154 H A 0013 GLU OE2
H A 0012 ASP OD1 9.735 H A 0013 GLU OE1
H A 0012 ASP OD1 10.52 H A 0013 GLU OE2
H A 0012 ASP OD2 9.687 H A 0013 GLU OE1
H A 0012 ASP OD2 10.64 H A 0013 GLU OE2
H A 0028 LYS NZ 8.705 C A 0029 ARG NH1
H A 0028 LYS NZ 8.027 C A 0029 ARG NH2
C A 0029 ARG NH1 10.43 H A 0080 ARG NH2
C A 0034 GLU OE1 11.33 C A 0061 ASP OD1
C A 0034 GLU OE1 10.07 C A 0061 ASP OD2
C A 0034 GLU OE2 10.71 C A 0061 ASP OD1
C A 0034 GLU OE2 9.219 C A 0061 ASP OD2
C A 0034 GLU OE1 10.89 C A 0065 ASP OD1
C A 0034 GLU OE1 11.08 C A 0065 ASP OD2
C A 0034 GLU OE2 9.742 C A 0065 ASP OD1
C A 0034 GLU OE2 9.616 C A 0065 ASP OD2
C A 0034 GLU OE1 9.436 C A 0067 ASP OD1
C A 0034 GLU OE1 11.46 C A 0067 ASP OD2
C A 0034 GLU OE2 9.640 C A 0067 ASP OD1
C A 0034 GLU OE2 11.46 C A 0067 ASP OD2
E A 0037 ASP OD1 6.068 E A 0039 ASP OD1
E A 0037 ASP OD1 5.452 E A 0039 ASP OD2
E A 0037 ASP OD2 6.078 E A 0039 ASP OD1
E A 0037 ASP OD2 5.476 E A 0039 ASP OD2
E A 0037 ASP OD1 11.17 E A 0057 GLU OE1
E A 0037 ASP OD1 11.44 E A 0057 GLU OE2
E A 0037 ASP OD2 11.93 E A 0057 GLU OE1
E A 0037 ASP OD2 11.81 E A 0057 GLU OE2
E A 0039 ASP OD1 8.943 E A 0057 GLU OE1
E A 0039 ASP OD1 8.368 E A 0057 GLU OE2
E A 0039 ASP OD2 7.482 E A 0057 GLU OE1
E A 0039 ASP OD2 6.971 E A 0057 GLU OE2
E A 0045 GLU OE1 11.87 C A 0048 ASP OD2
E A 0045 GLU OE1 9.385 C A 0049 GLU OE1
E A 0045 GLU OE1 8.170 C A 0049 GLU OE2
E A 0045 GLU OE2 11.61 C A 0049 GLU OE1
E A 0045 GLU OE2 10.33 C A 0049 GLU OE2
E A 0045 GLU OE1 7.867 E A 0053 ASP OD1
E A 0045 GLU OE1 6.305 E A 0053 ASP OD2
E A 0045 GLU OE2 8.414 E A 0053 ASP OD1
E A 0045 GLU OE2 6.602 E A 0053 ASP OD2
C A 0048 ASP OD1 8.270 C A 0049 GLU OE1
C A 0048 ASP OD1 9.617 C A 0049 GLU OE2
C A 0048 ASP OD2 6.483 C A 0049 GLU OE1
C A 0048 ASP OD2 8.122 C A 0049 GLU OE2
C A 0049 GLU OE1 11.29 E A 0053 ASP OD1
C A 0049 GLU OE1 11.25 E A 0053 ASP OD2
C A 0049 GLU OE2 9.138 E A 0053 ASP OD1
C A 0049 GLU OE2 9.154 E A 0053 ASP OD2
E A 0057 GLU OE1 10.59 H A 0072 ASP OD1
C A 0061 ASP OD1 6.542 C A 0062 GLU OE1
C A 0061 ASP OD1 7.143 C A 0062 GLU OE2
C A 0061 ASP OD2 8.061 C A 0062 GLU OE1
C A 0061 ASP OD2 8.933 C A 0062 GLU OE2
C A 0062 GLU OE1 10.46 C A 0065 ASP OD1
C A 0062 GLU OE1 11.87 C A 0065 ASP OD2
C A 0065 ASP OD1 7.896 C A 0067 ASP OD1
C A 0065 ASP OD1 8.283 C A 0067 ASP OD2
C A 0065 ASP OD2 8.512 C A 0067 ASP OD1
C A 0065 ASP OD2 8.695 C A 0067 ASP OD2
C A 0067 ASP OD1 6.739 H A 0073 GLU OE1
C A 0067 ASP OD1 5.354 H A 0073 GLU OE2
C A 0067 ASP OD2 7.320 H A 0073 GLU OE1
C A 0067 ASP OD2 5.712 H A 0073 GLU OE2
H A 0072 ASP OD1 9.936 H A 0073 GLU OE1
H A 0072 ASP OD1 9.383 H A 0073 GLU OE2
H A 0072 ASP OD2 8.745 H A 0073 GLU OE1
H A 0072 ASP OD2 8.059 H A 0073 GLU OE2
H A 0072 ASP OD1 7.264 H A 0076 ASP OD1
H A 0072 ASP OD1 7.269 H A 0076 ASP OD2
H A 0072 ASP OD2 6.661 H A 0076 ASP OD1
H A 0072 ASP OD2 6.255 H A 0076 ASP OD2
H A 0073 GLU OE1 9.738 H A 0076 ASP OD1
H A 0073 GLU OE1 7.644 H A 0076 ASP OD2
H A 0073 GLU OE2 10.50 H A 0076 ASP OD1
H A 0073 GLU OE2 8.494 H A 0076 ASP OD2
H A 0076 ASP OD1 6.294 H A 0083 GLU OE1
H A 0076 ASP OD1 8.127 H A 0083 GLU OE2
H A 0076 ASP OD2 8.188 H A 0083 GLU OE1
H A 0076 ASP OD2 10.08 H A 0083 GLU OE2
H A 0083 GLU OE1 11.54 H A 0087 ASP OD1
H A 0083 GLU OE1 9.651 H A 0087 ASP OD2
H A 0083 GLU OE2 11.18 H A 0087 ASP OD1
H A 0083 GLU OE2 9.428 H A 0087 ASP OD2
H A 0087 ASP OD1 7.481 H A 0091 GLU OE1
H A 0087 ASP OD1 8.369 H A 0091 GLU OE2
H A 0087 ASP OD2 9.040 H A 0091 GLU OE1
H A 0087 ASP OD2 9.514 H A 0091 GLU OE2
HB_MM 2.00 3.20 163
C A 0001 MET N 2.764 H A 0089 PHE O
C A 0002 SER N 2.262 C A 0001 MET O
C A 0003 LEU N 2.254 C A 0002 SER O
C A 0004 ARG N 2.249 C A 0003 LEU O
C A 0005 LYS N 2.255 C A 0004 ARG O
C A 0006 LEU N 2.254 C A 0005 LYS O
H A 0007 THR N 3.095 C A 0005 LYS O
H A 0007 THR N 2.259 C A 0006 LEU O
H A 0008 GLU N 2.246 H A 0007 THR O
H A 0009 GLY N 3.041 H A 0007 THR O
H A 0009 GLY N 2.251 H A 0008 GLU O
H A 0010 ASP N 3.067 H A 0007 THR O
H A 0010 ASP N 2.247 H A 0009 GLY O
H A 0011 LEU N 2.880 H A 0007 THR O
H A 0011 LEU N 2.259 H A 0010 ASP O
H A 0012 ASP N 2.836 H A 0008 GLU O
H A 0012 ASP N 2.249 H A 0011 LEU O
H A 0013 GLU N 2.816 H A 0009 GLY O
H A 0013 GLU N 2.230 H A 0012 ASP O
H A 0014 ILE N 3.045 H A 0010 ASP O
H A 0014 ILE N 2.254 H A 0013 GLU O
H A 0015 SER N 2.777 H A 0011 LEU O
H A 0015 SER N 3.171 H A 0012 ASP O
H A 0015 SER N 2.245 H A 0014 ILE O
H A 0016 SER N 2.753 H A 0012 ASP O
H A 0016 SER N 2.254 H A 0015 SER O
H A 0017 PHE N 2.925 H A 0013 GLU O
H A 0017 PHE N 3.187 H A 0014 ILE O
H A 0017 PHE N 2.252 H A 0016 SER O
H A 0018 LEU N 2.851 H A 0014 ILE O
H A 0018 LEU N 2.251 H A 0017 PHE O
H A 0019 HIS N 2.854 H A 0015 SER O
H A 0019 HIS N 2.250 H A 0018 LEU O
H A 0020 ASN N 2.825 H A 0016 SER O
H A 0020 ASN N 2.257 H A 0019 HIS O
H A 0021 THR N 2.881 H A 0017 PHE O
H A 0021 THR N 3.130 H A 0018 LEU O
H A 0021 THR N 2.246 H A 0020 ASN O
H A 0022 ILE N 2.979 H A 0018 LEU O
H A 0022 ILE N 2.249 H A 0021 THR O
H A 0023 SER N 2.889 H A 0019 HIS O
H A 0023 SER N 3.182 H A 0020 ASN O
H A 0023 SER N 2.248 H A 0022 ILE O
H A 0024 ASP N 2.770 H A 0020 ASN O
H A 0024 ASP N 2.243 H A 0023 SER O
H A 0025 PHE N 3.001 H A 0021 THR O
H A 0025 PHE N 2.246 H A 0024 ASP O
H A 0026 ILE N 2.776 H A 0022 ILE O
H A 0026 ILE N 2.238 H A 0025 PHE O
H A 0027 LEU N 2.862 H A 0023 SER O
H A 0027 LEU N 2.243 H A 0026 ILE O
H A 0028 LYS N 2.884 H A 0024 ASP O
H A 0028 LYS N 3.101 H A 0025 PHE O
H A 0028 LYS N 2.249 H A 0027 LEU O
C A 0029 ARG N 3.043 H A 0025 PHE O
C A 0029 ARG N 2.886 H A 0026 ILE O
C A 0029 ARG N 2.252 H A 0028 LYS O
C A 0030 VAL N 2.782 H A 0026 ILE O
C A 0030 VAL N 2.249 C A 0029 ARG O
C A 0031 SER N 2.239 C A 0030 VAL O
C A 0032 ALA N 2.250 C A 0031 SER O
C A 0033 LYS N 3.002 C A 0031 SER O
C A 0033 LYS N 2.252 C A 0032 ALA O
C A 0034 GLU N 2.813 C A 0031 SER O
C A 0034 GLU N 2.241 C A 0033 LYS O
E A 0035 ILE N 3.024 C A 0031 SER O
E A 0035 ILE N 2.278 C A 0034 GLU O
E A 0036 VAL N 2.251 E A 0035 ILE O
E A 0036 VAL N 2.719 E A 0059 TYR O
E A 0037 ASP N 2.261 E A 0036 VAL O
E A 0037 ASP N 3.092 E A 0059 TYR O
E A 0038 ILE N 2.255 E A 0037 ASP O
E A 0039 ASP N 2.247 E A 0038 ILE O
E A 0039 ASP N 2.921 E A 0057 GLU O
E A 0040 ILE N 2.245 E A 0039 ASP O
E A 0041 THR N 2.262 E A 0040 ILE O
E A 0041 THR N 2.807 E A 0055 SER O
E A 0042 VAL N 2.256 E A 0041 THR O
E A 0043 LEU N 2.256 E A 0042 VAL O
E A 0043 LEU N 2.804 E A 0053 ASP O
E A 0044 VAL N 2.245 E A 0043 LEU O
E A 0045 GLU N 2.251 E A 0044 VAL O
E A 0045 GLU N 2.852 E A 0051 LYS O
E A 0046 TYR N 2.254 E A 0045 GLU O
C A 0047 THR N 2.250 E A 0046 TYR O
C A 0047 THR N 2.846 C A 0049 GLU O
C A 0048 ASP N 2.263 C A 0047 THR O
C A 0049 GLU N 2.759 C A 0047 THR O
C A 0049 GLU N 2.253 C A 0048 ASP O
E A 0050 LEU N 2.254 C A 0049 GLU O
E A 0051 LYS N 2.831 E A 0045 GLU O
E A 0051 LYS N 2.254 E A 0050 LEU O
E A 0052 VAL N 2.258 E A 0051 LYS O
E A 0053 ASP N 2.802 E A 0043 LEU O
E A 0053 ASP N 2.255 E A 0052 VAL O
E A 0054 ILE N 2.248 E A 0053 ASP O
E A 0055 SER N 2.902 E A 0041 THR O
E A 0055 SER N 2.264 E A 0054 ILE O
E A 0056 ALA N 2.255 E A 0055 SER O
E A 0057 GLU N 2.742 E A 0039 ASP O
E A 0057 GLU N 2.258 E A 0056 ALA O
E A 0058 LEU N 2.264 E A 0057 GLU O
E A 0059 TYR N 2.896 E A 0037 ASP O
E A 0059 TYR N 2.255 E A 0058 LEU O
E A 0060 LEU N 2.257 E A 0059 TYR O
C A 0061 ASP N 2.919 C A 0034 GLU O
C A 0061 ASP N 2.255 E A 0060 LEU O
C A 0062 GLU N 2.264 C A 0061 ASP O
C A 0063 LEU N 2.728 C A 0061 ASP O
C A 0063 LEU N 2.244 C A 0062 GLU O
C A 0064 SER N 2.994 C A 0061 ASP O
C A 0064 SER N 2.256 C A 0063 LEU O
C A 0065 ASP N 2.243 C A 0064 SER O
C A 0066 ALA N 2.252 C A 0065 ASP O
C A 0067 ASP N 2.236 C A 0066 ALA O
C A 0068 PRO N 2.264 C A 0067 ASP O
H A 0069 GLY N 2.724 C A 0067 ASP O
H A 0069 GLY N 2.245 C A 0068 PRO O
H A 0070 ILE N 3.063 C A 0067 ASP O
H A 0070 ILE N 2.246 H A 0069 GLY O
H A 0071 VAL N 3.037 H A 0069 GLY O
H A 0071 VAL N 2.252 H A 0070 ILE O
H A 0072 ASP N 2.994 H A 0069 GLY O
H A 0072 ASP N 2.261 H A 0071 VAL O
H A 0073 GLU N 2.888 H A 0069 GLY O
H A 0073 GLU N 2.262 H A 0072 ASP O
H A 0074 ALA N 2.828 H A 0071 VAL O
H A 0074 ALA N 2.246 H A 0073 GLU O
H A 0075 VAL N 3.173 H A 0071 VAL O
H A 0075 VAL N 2.260 H A 0074 ALA O
H A 0076 ASP N 2.914 H A 0072 ASP O
H A 0076 ASP N 2.247 H A 0075 VAL O
H A 0077 ALA N 2.852 H A 0073 GLU O
H A 0077 ALA N 2.246 H A 0076 ASP O
H A 0078 ALA N 2.903 H A 0074 ALA O
H A 0078 ALA N 3.161 H A 0075 VAL O
H A 0078 ALA N 2.252 H A 0077 ALA O
H A 0079 TYR N 2.797 H A 0075 VAL O
H A 0079 TYR N 2.249 H A 0078 ALA O
H A 0080 ARG N 2.815 H A 0076 ASP O
H A 0080 ARG N 2.246 H A 0079 TYR O
H A 0081 SER N 2.806 H A 0077 ALA O
H A 0081 SER N 2.251 H A 0080 ARG O
H A 0082 LEU N 2.830 H A 0078 ALA O
H A 0082 LEU N 2.255 H A 0081 SER O
H A 0083 GLU N 2.882 H A 0079 TYR O
H A 0083 GLU N 2.253 H A 0082 LEU O
H A 0084 SER N 3.031 H A 0080 ARG O
H A 0084 SER N 2.251 H A 0083 GLU O
H A 0085 PHE N 2.852 H A 0081 SER O
H A 0085 PHE N 2.218 H A 0084 SER O
H A 0086 LEU N 2.785 H A 0082 LEU O
H A 0086 LEU N 2.250 H A 0085 PHE O
H A 0087 ASP N 2.997 H A 0083 GLU O
H A 0087 ASP N 2.939 H A 0084 SER O
H A 0087 ASP N 2.247 H A 0086 LEU O
H A 0088 GLY N 2.254 H A 0087 ASP O
H A 0089 PHE N 2.835 H A 0086 LEU O
H A 0089 PHE N 3.136 H A 0087 ASP O
H A 0089 PHE N 2.246 H A 0088 GLY O
H A 0090 ARG N 2.721 H A 0086 LEU O
H A 0090 ARG N 2.247 H A 0089 PHE O
H A 0091 GLU N 2.273 H A 0090 ARG O
HB_MS 2.00 3.20 15
C A 0003 LEU O 2.795 C A 0004 ARG NH2
H A 0007 THR N 2.850 H A 0010 ASP OD1
H A 0008 GLU N 2.799 H A 0007 THR OG1
H A 0012 ASP O 3.185 H A 0015 SER OG
H A 0016 SER N 2.972 H A 0015 SER OG
H A 0017 PHE O 2.556 H A 0021 THR OG1
C A 0031 SER N 2.763 C A 0034 GLU OE1
C A 0032 ALA N 3.085 C A 0031 SER OG
C A 0033 LYS N 3.149 C A 0031 SER OG
C A 0034 GLU O 2.852 C A 0064 SER OG
E A 0038 ILE N 2.750 E A 0037 ASP OD1
C A 0048 ASP O 2.641 E A 0046 TYR OH
E A 0054 ILE N 3.149 H A 0079 TYR OH
C A 0062 GLU N 2.797 C A 0061 ASP OD1
H A 0088 GLY N 3.168 H A 0087 ASP OD1
HB_SS 2.00 3.20 4
H A 0012 ASP OD1 2.400 H A 0015 SER OG
H A 0024 ASP OD2 2.686 H A 0020 ASN ND2
E A 0057 GLU OE2 2.450 E A 0059 TYR OH
H A 0087 ASP OD2 2.401 H A 0084 SER OG
AROMATIC 0.00 8.00 4
H A 0028 LYS 6.707 H A 0025 PHE
C A 0029 ARG 5.752 H A 0025 PHE
H A 0085 PHE 5.487 H A 0089 PHE
H A 0090 ARG 7.637 H A 0089 PHE