Complet list of 2gdw con file
Complete list of 2gdw.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 332
C A 0001 MET C 2.491 C A 0002 GLY CA
C A 0001 MET C 3.553 C A 0002 GLY C
C A 0002 GLY C 2.509 C A 0003 VAL CA
C A 0002 GLY C 3.149 C A 0003 VAL C
C A 0002 GLY C 3.150 C A 0003 VAL CB
C A 0002 GLY C 3.629 C A 0003 VAL CG2
C A 0003 VAL C 2.468 C A 0004 THR CA
C A 0003 VAL C 3.473 C A 0004 THR C
C A 0003 VAL C 3.590 C A 0004 THR CB
C A 0004 THR C 2.479 C A 0005 GLU CA
C A 0004 THR C 3.603 C A 0005 GLU C
C A 0004 THR C 3.425 C A 0005 GLU CB
C A 0005 GLU C 2.520 C A 0006 ALA CA
C A 0005 GLU C 3.217 C A 0006 ALA C
C A 0005 GLU C 3.195 C A 0006 ALA CB
C A 0005 GLU CG 3.760 C A 0030 SER CB
C A 0005 GLU CB 3.574 C A 0031 GLY C
C A 0006 ALA C 2.513 C A 0007 GLN CA
C A 0006 ALA C 3.156 C A 0007 GLN C
C A 0006 ALA C 3.720 C A 0007 GLN CB
C A 0007 GLN C 2.496 C A 0008 TYR CA
C A 0007 GLN C 3.785 C A 0008 TYR C
C A 0007 GLN C 3.053 C A 0008 TYR CB
C A 0008 TYR C 2.525 C A 0009 VAL CA
C A 0008 TYR C 3.162 C A 0009 VAL C
C A 0008 TYR C 3.229 C A 0009 VAL CB
C A 0008 TYR C 3.512 C A 0009 VAL CG2
C A 0008 TYR CE2 3.613 C A 0010 ALA CB
C A 0009 VAL C 2.475 C A 0010 ALA CA
C A 0009 VAL C 3.625 C A 0010 ALA C
C A 0009 VAL C 3.400 C A 0010 ALA CB
C A 0010 ALA CA 2.941 C A 0011 PRO CD
C A 0010 ALA C 2.490 C A 0011 PRO CA
C A 0010 ALA C 3.209 C A 0011 PRO C
C A 0010 ALA C 3.660 C A 0011 PRO CB
C A 0010 ALA C 3.692 C A 0011 PRO CG
C A 0010 ALA C 2.514 C A 0011 PRO CD
C A 0010 ALA C 3.426 C A 0034 ILE CG1
C A 0011 PRO C 2.485 C A 0012 THR CA
C A 0011 PRO C 3.728 C A 0012 THR C
C A 0011 PRO C 3.248 C A 0012 THR CB
C A 0011 PRO CA 3.609 C A 0034 ILE CD1
C A 0012 THR C 2.486 H A 0013 ASN CA
C A 0012 THR C 3.494 H A 0013 ASN C
C A 0012 THR C 3.546 H A 0013 ASN CB
C A 0012 THR CB 3.724 H A 0016 GLU CG
H A 0013 ASN C 2.490 H A 0014 ALA CA
H A 0013 ASN C 3.037 H A 0014 ALA C
H A 0013 ASN C 3.745 H A 0014 ALA CB
H A 0014 ALA C 2.494 H A 0015 VAL CA
H A 0014 ALA C 3.049 H A 0015 VAL C
H A 0014 ALA C 3.770 H A 0015 VAL CB
H A 0015 VAL C 2.493 H A 0016 GLU CA
H A 0015 VAL C 3.052 H A 0016 GLU C
H A 0015 VAL C 3.743 H A 0016 GLU CB
H A 0016 GLU C 2.478 H A 0017 SER CA
H A 0016 GLU C 3.158 H A 0017 SER C
H A 0016 GLU C 3.738 H A 0017 SER CB
H A 0016 GLU CA 3.763 H A 0074 ILE CD1
H A 0016 GLU CD 3.736 H A 0074 ILE CG2
H A 0017 SER C 2.478 H A 0018 LYS CA
H A 0017 SER C 3.083 H A 0018 LYS C
H A 0017 SER C 3.752 H A 0018 LYS CB
H A 0018 LYS C 2.445 H A 0019 LEU CA
H A 0018 LYS C 3.146 H A 0019 LEU C
H A 0018 LYS C 3.745 H A 0019 LEU CB
H A 0019 LEU C 2.464 H A 0020 ALA CA
H A 0019 LEU C 3.036 H A 0020 ALA C
H A 0019 LEU C 3.740 H A 0020 ALA CB
H A 0019 LEU C 3.551 H A 0023 TRP CD1
H A 0019 LEU CD2 3.621 H A 0058 GLU CD
H A 0019 LEU CG 3.667 C A 0059 TYR CE1
H A 0019 LEU CD1 3.782 C A 0059 TYR CE1
H A 0019 LEU CB 3.600 H A 0074 ILE CG1
H A 0019 LEU CB 3.708 H A 0074 ILE CD1
H A 0020 ALA C 2.504 H A 0021 GLU CA
H A 0020 ALA C 3.102 H A 0021 GLU C
H A 0020 ALA C 3.732 H A 0021 GLU CB
H A 0021 GLU C 2.490 H A 0022 ILE CA
H A 0021 GLU C 3.036 H A 0022 ILE C
H A 0021 GLU C 3.771 H A 0022 ILE CB
H A 0021 GLU CA 3.655 H A 0024 GLU CG
H A 0021 GLU CA 3.788 H A 0024 GLU CD
H A 0021 GLU C 3.741 H A 0024 GLU CG
H A 0022 ILE C 2.477 H A 0023 TRP CA
H A 0022 ILE C 3.063 H A 0023 TRP C
H A 0022 ILE C 3.761 H A 0023 TRP CB
H A 0023 TRP C 2.471 H A 0024 GLU CA
H A 0023 TRP C 3.152 H A 0024 GLU C
H A 0023 TRP C 3.750 H A 0024 GLU CB
H A 0023 TRP CB 3.733 C A 0032 ILE CD1
H A 0023 TRP CZ3 3.773 H A 0051 VAL CG2
H A 0023 TRP CH2 3.526 H A 0051 VAL CG1
H A 0024 GLU C 2.483 H A 0025 ARG CA
H A 0024 GLU C 3.217 H A 0025 ARG C
H A 0024 GLU C 3.699 H A 0025 ARG CB
H A 0024 GLU CB 3.569 C A 0031 GLY CA
H A 0024 GLU CB 3.741 C A 0032 ILE CG1
H A 0025 ARG C 2.508 H A 0026 VAL CA
H A 0025 ARG C 3.137 H A 0026 VAL C
H A 0025 ARG C 3.765 H A 0026 VAL CB
H A 0026 VAL C 2.496 H A 0027 LEU CA
H A 0026 VAL C 3.158 H A 0027 LEU C
H A 0026 VAL C 3.717 H A 0027 LEU CB
H A 0027 LEU C 2.485 C A 0028 GLY CA
H A 0027 LEU C 3.515 C A 0028 GLY C
H A 0027 LEU CD1 3.765 C A 0040 GLN C
H A 0027 LEU CD2 3.663 C A 0040 GLN CD
C A 0028 GLY C 2.528 C A 0029 VAL CA
C A 0028 GLY C 2.993 C A 0029 VAL C
C A 0028 GLY C 3.705 C A 0029 VAL CB
C A 0029 VAL C 2.476 C A 0030 SER CA
C A 0029 VAL C 3.708 C A 0030 SER C
C A 0029 VAL C 3.314 C A 0030 SER CB
C A 0030 SER C 2.476 C A 0031 GLY CA
C A 0030 SER C 3.605 C A 0031 GLY C
C A 0031 GLY C 2.467 C A 0032 ILE CA
C A 0031 GLY C 3.410 C A 0032 ILE C
C A 0031 GLY C 3.640 C A 0032 ILE CB
C A 0032 ILE C 2.472 C A 0033 GLY CA
C A 0032 ILE C 3.428 C A 0033 GLY C
C A 0033 GLY C 2.487 C A 0034 ILE CA
C A 0033 GLY C 3.072 C A 0034 ILE C
C A 0033 GLY C 3.731 C A 0034 ILE CB
C A 0034 ILE C 2.509 C A 0035 LEU CA
C A 0034 ILE C 3.179 C A 0035 LEU C
C A 0034 ILE C 3.757 C A 0035 LEU CB
C A 0034 ILE CG2 3.672 H A 0074 ILE CG2
C A 0034 ILE CD1 3.664 H A 0074 ILE CG2
C A 0035 LEU C 2.513 C A 0036 ASP CA
C A 0035 LEU C 3.049 C A 0036 ASP C
C A 0035 LEU C 3.160 C A 0036 ASP CB
C A 0035 LEU C 3.721 C A 0036 ASP CG
C A 0035 LEU CA 3.681 H A 0073 THR CB
C A 0036 ASP C 2.451 C A 0037 ASN CA
C A 0036 ASP C 3.387 C A 0037 ASN C
C A 0036 ASP C 3.539 C A 0037 ASN CB
C A 0037 ASN C 2.539 C A 0038 PHE CA
C A 0037 ASN C 3.210 C A 0038 PHE C
C A 0037 ASN C 3.403 C A 0038 PHE CB
C A 0037 ASN C 3.376 C A 0038 PHE CG
C A 0037 ASN C 3.420 C A 0038 PHE CD2
C A 0038 PHE C 2.486 C A 0039 PHE CA
C A 0038 PHE C 3.537 C A 0039 PHE C
C A 0038 PHE C 3.464 C A 0039 PHE CB
C A 0038 PHE CA 3.637 C A 0041 ILE CD1
C A 0038 PHE C 3.650 C A 0041 ILE CD1
C A 0038 PHE CA 3.733 C A 0072 PRO CB
C A 0039 PHE C 2.501 C A 0040 GLN CA
C A 0039 PHE C 3.194 C A 0040 GLN C
C A 0039 PHE C 3.753 C A 0040 GLN CB
C A 0040 GLN C 2.485 C A 0041 ILE CA
C A 0040 GLN C 3.121 C A 0041 ILE C
C A 0041 ILE C 2.486 C A 0042 GLY CA
C A 0041 ILE C 3.151 C A 0042 GLY C
C A 0042 GLY C 2.496 C A 0043 GLY CA
C A 0042 GLY C 3.146 C A 0043 GLY C
C A 0042 GLY CA 3.764 H A 0068 LEU CB
C A 0042 GLY CA 3.692 H A 0068 LEU CD2
C A 0042 GLY CA 3.655 H A 0069 PHE CE1
C A 0043 GLY C 2.502 C A 0044 HIS CA
C A 0043 GLY C 3.275 C A 0044 HIS C
C A 0043 GLY C 3.715 C A 0044 HIS CB
C A 0043 GLY CA 3.511 H A 0047 LYS CB
C A 0044 HIS C 2.512 H A 0045 SER CA
C A 0044 HIS C 3.740 H A 0045 SER C
C A 0044 HIS C 3.175 H A 0045 SER CB
H A 0045 SER C 2.494 H A 0046 LEU CA
H A 0045 SER C 3.108 H A 0046 LEU C
H A 0045 SER C 3.780 H A 0046 LEU CB
H A 0046 LEU C 2.489 H A 0047 LYS CA
H A 0046 LEU C 3.053 H A 0047 LYS C
H A 0046 LEU C 3.747 H A 0047 LYS CB
H A 0047 LYS C 2.475 H A 0048 ALA CA
H A 0047 LYS C 3.035 H A 0048 ALA C
H A 0047 LYS C 3.732 H A 0048 ALA CB
H A 0048 ALA C 2.493 H A 0049 MET CA
H A 0048 ALA C 3.168 H A 0049 MET C
H A 0048 ALA C 3.756 H A 0049 MET CB
H A 0049 MET C 2.485 H A 0050 ALA CA
H A 0049 MET C 3.105 H A 0050 ALA C
H A 0049 MET C 3.736 H A 0050 ALA CB
H A 0050 ALA C 2.477 H A 0051 VAL CA
H A 0050 ALA C 3.094 H A 0051 VAL C
H A 0050 ALA C 3.767 H A 0051 VAL CB
H A 0051 VAL C 2.481 H A 0052 ALA CA
H A 0051 VAL C 3.062 H A 0052 ALA C
H A 0051 VAL C 3.756 H A 0052 ALA CB
H A 0051 VAL CG1 3.685 H A 0068 LEU CG
H A 0051 VAL CG1 3.778 H A 0068 LEU CD1
H A 0052 ALA C 2.476 H A 0053 ALA CA
H A 0052 ALA C 3.068 H A 0053 ALA C
H A 0052 ALA C 3.738 H A 0053 ALA CB
H A 0052 ALA CB 3.651 C A 0064 PRO CB
H A 0053 ALA C 2.495 H A 0054 GLN CA
H A 0053 ALA C 3.144 H A 0054 GLN C
H A 0053 ALA C 3.743 H A 0054 GLN CB
H A 0054 GLN C 2.498 H A 0055 VAL CA
H A 0054 GLN C 3.129 H A 0055 VAL C
H A 0054 GLN C 3.758 H A 0055 VAL CB
H A 0055 VAL C 2.470 H A 0056 HIS CA
H A 0055 VAL C 3.125 H A 0056 HIS C
H A 0055 VAL C 3.699 H A 0056 HIS CB
H A 0055 VAL CA 3.402 C A 0059 TYR CB
H A 0055 VAL CA 3.710 C A 0059 TYR CG
H A 0055 VAL C 3.564 C A 0059 TYR CB
H A 0055 VAL CG2 3.785 C A 0059 TYR CD2
H A 0055 VAL CG1 3.682 C A 0062 GLU CA
H A 0056 HIS C 2.488 H A 0057 ARG CA
H A 0056 HIS C 3.215 H A 0057 ARG C
H A 0056 HIS C 3.751 H A 0057 ARG CB
H A 0056 HIS CD2 3.684 C A 0062 GLU CB
H A 0056 HIS CD2 3.683 C A 0062 GLU CD
H A 0057 ARG C 2.478 H A 0058 GLU CA
H A 0057 ARG C 3.477 H A 0058 GLU C
H A 0057 ARG C 3.562 H A 0058 GLU CB
H A 0058 GLU C 2.466 C A 0059 TYR CA
H A 0058 GLU C 3.395 C A 0059 TYR C
H A 0058 GLU C 3.654 C A 0059 TYR CB
H A 0058 GLU C 3.729 C A 0059 TYR CD1
C A 0059 TYR C 2.532 C A 0060 GLN CA
C A 0059 TYR C 3.259 C A 0060 GLN C
C A 0059 TYR C 3.157 C A 0060 GLN CB
C A 0059 TYR CB 3.526 H A 0081 VAL CG1
C A 0059 TYR CG 3.604 H A 0081 VAL CG1
C A 0059 TYR CD2 3.478 H A 0081 VAL CG1
C A 0060 GLN C 2.474 C A 0061 VAL CA
C A 0060 GLN C 3.432 C A 0061 VAL C
C A 0060 GLN C 3.626 C A 0061 VAL CB
C A 0060 GLN C 3.738 C A 0061 VAL CG2
C A 0061 VAL C 2.526 C A 0062 GLU CA
C A 0061 VAL C 3.205 C A 0062 GLU C
C A 0061 VAL C 3.322 C A 0062 GLU CB
C A 0061 VAL C 3.365 C A 0062 GLU CG
C A 0061 VAL CB 3.749 C A 0063 LEU CD2
C A 0061 VAL CG1 3.675 C A 0063 LEU CD2
C A 0062 GLU C 2.469 C A 0063 LEU CA
C A 0062 GLU C 3.542 C A 0063 LEU C
C A 0062 GLU C 3.537 C A 0063 LEU CB
C A 0062 GLU C 3.749 C A 0064 PRO CD
C A 0063 LEU CA 2.952 C A 0064 PRO CD
C A 0063 LEU C 2.490 C A 0064 PRO CA
C A 0063 LEU C 3.133 C A 0064 PRO C
C A 0063 LEU C 3.691 C A 0064 PRO CB
C A 0063 LEU C 3.688 C A 0064 PRO CG
C A 0063 LEU C 2.522 C A 0064 PRO CD
C A 0063 LEU CG 3.629 H A 0067 VAL CB
C A 0063 LEU CD2 3.709 H A 0067 VAL CB
C A 0064 PRO C 2.524 H A 0065 LEU CA
C A 0064 PRO C 3.207 H A 0065 LEU C
C A 0064 PRO C 3.192 H A 0065 LEU CB
H A 0065 LEU C 2.485 H A 0066 LYS CA
H A 0065 LEU C 3.071 H A 0066 LYS C
H A 0065 LEU C 3.719 H A 0066 LYS CB
H A 0065 LEU C 3.780 H A 0068 LEU CB
H A 0065 LEU CG 3.602 H A 0069 PHE CD1
H A 0066 LYS C 2.468 H A 0067 VAL CA
H A 0066 LYS C 3.123 H A 0067 VAL C
H A 0066 LYS C 3.738 H A 0067 VAL CB
H A 0067 VAL C 2.505 H A 0068 LEU CA
H A 0067 VAL C 3.242 H A 0068 LEU C
H A 0067 VAL C 3.742 H A 0068 LEU CB
H A 0067 VAL CG1 3.635 H A 0068 LEU CD1
H A 0067 VAL CA 3.715 H A 0071 GLN CD
H A 0067 VAL CG2 3.572 H A 0071 GLN CD
H A 0067 VAL CG2 3.631 H A 0077 LEU CD2
H A 0068 LEU C 2.493 H A 0069 PHE CA
H A 0068 LEU C 3.490 H A 0069 PHE C
H A 0068 LEU C 3.606 H A 0069 PHE CB
H A 0069 PHE C 2.477 H A 0070 ALA CA
H A 0069 PHE C 3.209 H A 0070 ALA C
H A 0069 PHE C 3.723 H A 0070 ALA CB
H A 0069 PHE C 3.787 C A 0072 PRO CD
H A 0070 ALA C 2.473 H A 0071 GLN CA
H A 0070 ALA C 3.557 H A 0071 GLN C
H A 0070 ALA C 3.498 H A 0071 GLN CB
H A 0070 ALA C 3.626 H A 0071 GLN CG
H A 0070 ALA C 3.340 C A 0072 PRO CD
H A 0071 GLN CA 2.988 C A 0072 PRO CD
H A 0071 GLN C 2.505 C A 0072 PRO CA
H A 0071 GLN C 3.307 C A 0072 PRO C
H A 0071 GLN C 3.633 C A 0072 PRO CB
H A 0071 GLN C 3.712 C A 0072 PRO CG
H A 0071 GLN C 2.522 C A 0072 PRO CD
H A 0071 GLN CB 3.656 H A 0076 ALA CB
C A 0072 PRO C 2.512 H A 0073 THR CA
C A 0072 PRO C 3.707 H A 0073 THR C
C A 0072 PRO C 3.299 H A 0073 THR CB
C A 0072 PRO C 3.734 H A 0073 THR CG2
H A 0073 THR C 2.461 H A 0074 ILE CA
H A 0073 THR C 3.104 H A 0074 ILE C
H A 0073 THR C 3.734 H A 0074 ILE CB
H A 0073 THR C 3.758 H A 0077 LEU CG
H A 0074 ILE C 2.479 H A 0075 LYS CA
H A 0074 ILE C 3.044 H A 0075 LYS C
H A 0074 ILE C 3.721 H A 0075 LYS CB
H A 0074 ILE CA 3.740 H A 0077 LEU CB
H A 0074 ILE CA 3.660 H A 0077 LEU CD1
H A 0075 LYS C 2.466 H A 0076 ALA CA
H A 0075 LYS C 3.165 H A 0076 ALA C
H A 0075 LYS C 3.708 H A 0076 ALA CB
H A 0076 ALA C 2.485 H A 0077 LEU CA
H A 0076 ALA C 3.063 H A 0077 LEU C
H A 0076 ALA C 3.767 H A 0077 LEU CB
H A 0077 LEU C 2.486 H A 0078 ALA CA
H A 0077 LEU C 3.103 H A 0078 ALA C
H A 0077 LEU C 3.753 H A 0078 ALA CB
H A 0078 ALA C 2.474 H A 0079 GLN CA
H A 0078 ALA C 3.175 H A 0079 GLN C
H A 0078 ALA C 3.716 H A 0079 GLN CB
H A 0079 GLN C 2.475 H A 0080 TYR CA
H A 0079 GLN C 3.296 H A 0080 TYR C
H A 0079 GLN C 3.698 H A 0080 TYR CB
H A 0079 GLN C 3.799 C A 0083 THR CB
H A 0080 TYR C 2.457 H A 0081 VAL CA
H A 0080 TYR C 3.596 H A 0081 VAL C
H A 0080 TYR C 3.482 H A 0081 VAL CB
H A 0080 TYR C 3.458 H A 0081 VAL CG1
H A 0080 TYR CA 3.674 C A 0084 ARG CD
H A 0080 TYR C 3.539 C A 0084 ARG CD
H A 0081 VAL C 2.488 H A 0082 ALA CA
H A 0081 VAL C 3.511 H A 0082 ALA C
H A 0081 VAL C 3.504 H A 0082 ALA CB
H A 0082 ALA C 2.495 C A 0083 THR CA
H A 0082 ALA C 3.725 C A 0083 THR C
H A 0082 ALA C 3.234 C A 0083 THR CB
C A 0083 THR C 2.463 C A 0084 ARG CA
C A 0083 THR C 3.446 C A 0084 ARG C
C A 0083 THR C 3.616 C A 0084 ARG CB
C A 0084 ARG C 2.503 C A 0085 SER CA
C A 0084 ARG C 3.181 C A 0085 SER C
C A 0084 ARG C 3.117 C A 0085 SER CB
CHARGE_ATTR 2.00 12.00 29
H A 0016 GLU OE1 9.570 H A 0075 LYS NZ
H A 0016 GLU OE2 8.358 H A 0075 LYS NZ
H A 0021 GLU OE1 3.762 H A 0018 LYS NZ
H A 0021 GLU OE2 3.448 H A 0018 LYS NZ
H A 0021 GLU OE1 8.873 H A 0025 ARG NH1
H A 0021 GLU OE1 9.992 H A 0025 ARG NH2
H A 0021 GLU OE2 7.542 H A 0025 ARG NH1
H A 0021 GLU OE2 8.296 H A 0025 ARG NH2
H A 0024 GLU OE1 11.55 H A 0018 LYS NZ
H A 0024 GLU OE2 10.01 H A 0018 LYS NZ
H A 0024 GLU OE1 9.104 H A 0025 ARG NH1
H A 0024 GLU OE1 11.15 H A 0025 ARG NH2
H A 0024 GLU OE2 7.357 H A 0025 ARG NH1
H A 0024 GLU OE2 9.433 H A 0025 ARG NH2
C A 0036 ASP OD1 11.00 H A 0047 LYS NZ
C A 0036 ASP OD2 11.07 H A 0047 LYS NZ
C A 0036 ASP OD1 11.61 H A 0075 LYS NZ
C A 0036 ASP OD2 10.69 H A 0075 LYS NZ
H A 0058 GLU OE1 9.240 H A 0018 LYS NZ
H A 0058 GLU OE2 7.561 H A 0018 LYS NZ
H A 0058 GLU OE1 11.90 H A 0056 HIS ND1
H A 0058 GLU OE1 7.561 H A 0057 ARG NH1
H A 0058 GLU OE1 7.692 H A 0057 ARG NH2
H A 0058 GLU OE2 8.186 H A 0057 ARG NH1
H A 0058 GLU OE2 8.867 H A 0057 ARG NH2
C A 0062 GLU OE1 5.149 H A 0056 HIS ND1
C A 0062 GLU OE1 3.863 H A 0056 HIS NE2
C A 0062 GLU OE2 5.339 H A 0056 HIS ND1
C A 0062 GLU OE2 3.508 H A 0056 HIS NE2
CHARGE_REPU 2.00 12.00 32
C A 0005 GLU OE1 10.01 H A 0024 GLU OE1
C A 0005 GLU OE1 11.33 H A 0024 GLU OE2
C A 0005 GLU OE2 8.610 H A 0024 GLU OE1
C A 0005 GLU OE2 9.662 H A 0024 GLU OE2
H A 0016 GLU OE1 10.66 H A 0024 GLU OE1
H A 0016 GLU OE1 11.72 H A 0024 GLU OE2
H A 0016 GLU OE1 8.312 C A 0036 ASP OD1
H A 0016 GLU OE1 9.012 C A 0036 ASP OD2
H A 0016 GLU OE2 8.853 C A 0036 ASP OD1
H A 0016 GLU OE2 9.013 C A 0036 ASP OD2
H A 0018 LYS NZ 10.73 H A 0025 ARG NH1
H A 0018 LYS NZ 11.13 H A 0025 ARG NH2
H A 0021 GLU OE1 8.081 H A 0024 GLU OE1
H A 0021 GLU OE1 6.468 H A 0024 GLU OE2
H A 0021 GLU OE2 8.724 H A 0024 GLU OE1
H A 0021 GLU OE2 6.986 H A 0024 GLU OE2
H A 0021 GLU OE1 10.36 H A 0058 GLU OE1
H A 0021 GLU OE1 9.181 H A 0058 GLU OE2
H A 0021 GLU OE2 10.18 H A 0058 GLU OE1
H A 0021 GLU OE2 9.114 H A 0058 GLU OE2
H A 0024 GLU OE1 7.645 C A 0036 ASP OD1
H A 0024 GLU OE1 9.777 C A 0036 ASP OD2
H A 0024 GLU OE2 9.570 C A 0036 ASP OD1
H A 0024 GLU OE2 11.62 C A 0036 ASP OD2
C A 0044 HIS NE2 11.61 H A 0047 LYS NZ
H A 0047 LYS NZ 10.99 H A 0057 ARG NH2
H A 0056 HIS ND1 9.515 H A 0057 ARG NH1
H A 0056 HIS ND1 8.851 H A 0057 ARG NH2
H A 0056 HIS NE2 11.33 H A 0057 ARG NH1
H A 0056 HIS NE2 10.79 H A 0057 ARG NH2
H A 0066 LYS NZ 11.42 C A 0084 ARG NH1
H A 0075 LYS NZ 11.62 C A 0084 ARG NH2
HB_MM 2.00 3.20 152
C A 0002 GLY N 2.262 C A 0001 MET O
C A 0003 VAL N 2.273 C A 0002 GLY O
C A 0004 THR N 2.251 C A 0003 VAL O
C A 0005 GLU N 2.249 C A 0004 THR O
C A 0006 ALA N 2.253 C A 0005 GLU O
C A 0006 ALA N 2.759 C A 0031 GLY O
C A 0007 GLN N 3.080 C A 0005 GLU O
C A 0007 GLN N 2.240 C A 0006 ALA O
C A 0008 TYR N 2.909 C A 0006 ALA O
C A 0008 TYR N 2.258 C A 0007 GLN O
C A 0009 VAL N 2.262 C A 0008 TYR O
C A 0010 ALA N 2.248 C A 0009 VAL O
C A 0011 PRO N 2.258 C A 0010 ALA O
C A 0012 THR N 2.249 C A 0011 PRO O
H A 0013 ASN N 2.249 C A 0012 THR O
H A 0014 ALA N 2.267 H A 0013 ASN O
H A 0015 VAL N 2.250 H A 0014 ALA O
H A 0016 GLU N 2.260 H A 0015 VAL O
H A 0017 SER N 2.911 H A 0013 ASN O
H A 0017 SER N 3.177 H A 0014 ALA O
H A 0017 SER N 2.262 H A 0016 GLU O
H A 0018 LYS N 2.730 H A 0014 ALA O
H A 0018 LYS N 2.254 H A 0017 SER O
H A 0019 LEU N 2.892 H A 0015 VAL O
H A 0019 LEU N 2.248 H A 0018 LYS O
H A 0020 ALA N 3.030 H A 0016 GLU O
H A 0020 ALA N 3.142 H A 0017 SER O
H A 0020 ALA N 2.252 H A 0019 LEU O
H A 0021 GLU N 2.846 H A 0017 SER O
H A 0021 GLU N 3.198 H A 0018 LYS O
H A 0021 GLU N 2.263 H A 0020 ALA O
H A 0022 ILE N 2.765 H A 0018 LYS O
H A 0022 ILE N 3.187 H A 0019 LEU O
H A 0022 ILE N 2.257 H A 0021 GLU O
H A 0023 TRP N 2.717 H A 0019 LEU O
H A 0023 TRP N 2.253 H A 0022 ILE O
H A 0024 GLU N 2.930 H A 0020 ALA O
H A 0024 GLU N 2.248 H A 0023 TRP O
H A 0025 ARG N 2.963 H A 0021 GLU O
H A 0025 ARG N 3.103 H A 0023 TRP O
H A 0025 ARG N 2.267 H A 0024 GLU O
H A 0026 VAL N 2.765 H A 0022 ILE O
H A 0026 VAL N 2.258 H A 0025 ARG O
H A 0027 LEU N 2.787 H A 0023 TRP O
H A 0027 LEU N 2.255 H A 0026 VAL O
C A 0028 GLY N 2.965 H A 0025 ARG O
C A 0028 GLY N 3.130 H A 0026 VAL O
C A 0028 GLY N 2.271 H A 0027 LEU O
C A 0029 VAL N 2.924 H A 0025 ARG O
C A 0029 VAL N 2.273 C A 0028 GLY O
C A 0030 SER N 3.089 H A 0024 GLU O
C A 0030 SER N 2.908 C A 0028 GLY O
C A 0030 SER N 2.261 C A 0029 VAL O
C A 0031 GLY N 2.268 C A 0030 SER O
C A 0032 ILE N 2.252 C A 0031 GLY O
C A 0033 GLY N 2.263 C A 0032 ILE O
C A 0034 ILE N 2.252 C A 0033 GLY O
C A 0035 LEU N 2.268 C A 0034 ILE O
C A 0036 ASP N 2.794 C A 0033 GLY O
C A 0036 ASP N 2.986 C A 0034 ILE O
C A 0036 ASP N 2.253 C A 0035 LEU O
C A 0037 ASN N 2.240 C A 0036 ASP O
C A 0038 PHE N 2.259 C A 0037 ASN O
C A 0039 PHE N 2.730 C A 0037 ASN O
C A 0039 PHE N 2.250 C A 0038 PHE O
C A 0040 GLN N 2.249 C A 0039 PHE O
C A 0041 ILE N 3.044 C A 0039 PHE O
C A 0041 ILE N 2.253 C A 0040 GLN O
C A 0042 GLY N 3.167 C A 0039 PHE O
C A 0042 GLY N 2.275 C A 0041 ILE O
C A 0043 GLY N 3.085 C A 0040 GLN O
C A 0043 GLY N 2.279 C A 0042 GLY O
C A 0044 HIS N 2.267 C A 0043 GLY O
H A 0045 SER N 2.758 C A 0043 GLY O
H A 0045 SER N 2.253 C A 0044 HIS O
H A 0046 LEU N 2.248 H A 0045 SER O
H A 0047 LYS N 3.035 H A 0045 SER O
H A 0047 LYS N 2.260 H A 0046 LEU O
H A 0048 ALA N 2.258 H A 0047 LYS O
H A 0049 MET N 3.063 H A 0046 LEU O
H A 0049 MET N 3.116 H A 0047 LYS O
H A 0049 MET N 2.256 H A 0048 ALA O
H A 0050 ALA N 2.852 H A 0046 LEU O
H A 0050 ALA N 3.062 H A 0047 LYS O
H A 0050 ALA N 2.255 H A 0049 MET O
H A 0051 VAL N 2.735 H A 0047 LYS O
H A 0051 VAL N 2.255 H A 0050 ALA O
H A 0052 ALA N 2.830 H A 0048 ALA O
H A 0052 ALA N 3.149 H A 0049 MET O
H A 0052 ALA N 2.250 H A 0051 VAL O
H A 0053 ALA N 2.959 H A 0049 MET O
H A 0053 ALA N 2.257 H A 0052 ALA O
H A 0054 GLN N 2.991 H A 0051 VAL O
H A 0054 GLN N 2.256 H A 0053 ALA O
H A 0055 VAL N 2.739 H A 0051 VAL O
H A 0055 VAL N 2.254 H A 0054 GLN O
H A 0056 HIS N 2.754 H A 0052 ALA O
H A 0056 HIS N 2.246 H A 0055 VAL O
H A 0057 ARG N 3.008 H A 0053 ALA O
H A 0057 ARG N 2.234 H A 0056 HIS O
H A 0058 GLU N 2.778 H A 0054 GLN O
H A 0058 GLU N 2.250 H A 0057 ARG O
C A 0059 TYR N 2.249 H A 0058 GLU O
C A 0060 GLN N 3.040 H A 0055 VAL O
C A 0060 GLN N 2.796 H A 0056 HIS O
C A 0060 GLN N 2.256 C A 0059 TYR O
C A 0061 VAL N 2.926 C A 0059 TYR O
C A 0061 VAL N 2.244 C A 0060 GLN O
C A 0062 GLU N 2.929 H A 0055 VAL O
C A 0062 GLU N 2.240 C A 0061 VAL O
C A 0063 LEU N 3.072 C A 0061 VAL O
C A 0063 LEU N 2.239 C A 0062 GLU O
C A 0064 PRO N 2.257 C A 0063 LEU O
H A 0065 LEU N 2.271 C A 0064 PRO O
H A 0066 LYS N 2.710 C A 0064 PRO O
H A 0066 LYS N 2.243 H A 0065 LEU O
H A 0067 VAL N 2.249 H A 0066 LYS O
H A 0068 LEU N 3.096 H A 0065 LEU O
H A 0068 LEU N 3.074 H A 0066 LYS O
H A 0068 LEU N 2.248 H A 0067 VAL O
H A 0069 PHE N 2.787 H A 0065 LEU O
H A 0069 PHE N 2.264 H A 0068 LEU O
H A 0070 ALA N 2.807 H A 0066 LYS O
H A 0070 ALA N 2.253 H A 0069 PHE O
H A 0071 GLN N 3.104 H A 0067 VAL O
H A 0071 GLN N 2.256 H A 0070 ALA O
C A 0072 PRO N 2.248 H A 0071 GLN O
H A 0073 THR N 2.717 H A 0071 GLN O
H A 0073 THR N 2.252 C A 0072 PRO O
H A 0074 ILE N 2.863 C A 0034 ILE O
H A 0074 ILE N 2.262 H A 0073 THR O
H A 0075 LYS N 3.096 H A 0073 THR O
H A 0075 LYS N 2.248 H A 0074 ILE O
H A 0076 ALA N 3.051 H A 0073 THR O
H A 0076 ALA N 2.250 H A 0075 LYS O
H A 0077 LEU N 2.963 H A 0073 THR O
H A 0077 LEU N 2.258 H A 0076 ALA O
H A 0078 ALA N 2.736 H A 0074 ILE O
H A 0078 ALA N 2.252 H A 0077 LEU O
H A 0079 GLN N 3.176 H A 0076 ALA O
H A 0079 GLN N 2.249 H A 0078 ALA O
H A 0080 TYR N 2.943 H A 0076 ALA O
H A 0080 TYR N 3.107 H A 0077 LEU O
H A 0080 TYR N 2.249 H A 0079 GLN O
H A 0081 VAL N 3.044 H A 0077 LEU O
H A 0081 VAL N 3.020 H A 0078 ALA O
H A 0081 VAL N 2.245 H A 0080 TYR O
H A 0082 ALA N 2.672 H A 0078 ALA O
H A 0082 ALA N 2.247 H A 0081 VAL O
C A 0083 THR N 2.256 H A 0082 ALA O
C A 0084 ARG N 2.260 C A 0083 THR O
C A 0085 SER N 2.254 C A 0084 ARG O
HB_MS 2.00 3.20 15
C A 0003 VAL O 3.191 C A 0037 ASN ND2
C A 0011 PRO O 2.746 C A 0012 THR OG1
H A 0015 VAL N 3.152 H A 0013 ASN OD1
H A 0016 GLU N 2.872 H A 0013 ASN OD1
H A 0026 VAL O 3.016 H A 0047 LYS NZ
C A 0028 GLY O 2.717 C A 0030 SER OG
C A 0031 GLY N 2.958 C A 0030 SER OG
C A 0034 ILE O 3.071 H A 0073 THR OG1
C A 0036 ASP O 2.947 C A 0007 GLN NE2
H A 0046 LEU N 2.974 H A 0045 SER OG
H A 0050 ALA O 2.927 H A 0054 GLN NE2
H A 0075 LYS O 2.817 H A 0079 GLN NE2
H A 0079 GLN O 3.191 C A 0083 THR OG1
H A 0081 VAL O 2.617 C A 0085 SER OG
H A 0082 ALA O 2.716 C A 0083 THR OG1
HB_SS 2.00 3.20 2
C A 0040 GLN NE2 2.797 C A 0004 THR OG1
C A 0040 GLN NE2 2.988 C A 0037 ASN OD1
AROMATIC 0.00 8.00 2
C A 0084 ARG 4.038 H A 0080 TYR
H A 0047 LYS 7.257 H A 0023 TRP