Complet list of 1pih con file
Complete list of 1pih.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 355
C A 0001 ALA C 2.452 C A 0002 SER CA
C A 0001 ALA C 3.083 C A 0002 SER C
C A 0001 ALA C 3.675 C A 0002 SER CB
C A 0001 ALA CA 3.739 C A 0003 GLU CD
C A 0001 ALA C 3.590 C A 0003 GLU CD
C A 0002 SER C 2.456 C A 0003 GLU CA
C A 0002 SER C 2.962 C A 0003 GLU C
C A 0002 SER C 3.730 C A 0003 GLU CB
C A 0003 GLU CA 2.939 C A 0004 PRO CD
C A 0003 GLU C 2.450 C A 0004 PRO CA
C A 0003 GLU C 3.030 C A 0004 PRO C
C A 0003 GLU C 3.672 C A 0004 PRO CB
C A 0003 GLU C 3.662 C A 0004 PRO CG
C A 0003 GLU C 2.495 C A 0004 PRO CD
C A 0003 GLU CB 3.476 C A 0004 PRO CD
C A 0004 PRO C 2.467 C A 0005 ARG CA
C A 0004 PRO C 3.021 C A 0005 ARG C
C A 0004 PRO C 3.673 C A 0005 ARG CB
C A 0005 ARG C 2.474 C A 0006 ALA CA
C A 0005 ARG C 3.070 C A 0006 ALA C
C A 0005 ARG C 3.720 C A 0006 ALA CB
C A 0005 ARG CB 3.565 E A 0047 TRP CZ3
C A 0005 ARG CB 3.617 E A 0047 TRP CH2
C A 0005 ARG CG 3.623 E A 0047 TRP CD2
C A 0005 ARG CG 3.597 E A 0047 TRP CE2
C A 0005 ARG CG 3.735 E A 0047 TRP CE3
C A 0005 ARG CG 3.780 E A 0047 TRP CZ2
C A 0005 ARG CD 3.704 E A 0047 TRP CE2
C A 0005 ARG CD 3.760 E A 0047 TRP CZ2
C A 0005 ARG CZ 3.775 E A 0047 TRP CD1
C A 0006 ALA C 2.454 C A 0007 GLU CA
C A 0006 ALA C 3.111 C A 0007 GLU C
C A 0006 ALA C 3.718 C A 0007 GLU CB
C A 0006 ALA CB 3.638 C A 0014 TYR CE1
C A 0006 ALA CB 3.523 C A 0058 VAL CG2
C A 0007 GLU CA 3.767 C A 0008 ASP CA
C A 0007 GLU C 2.420 C A 0008 ASP CA
C A 0007 GLU C 2.919 C A 0008 ASP C
C A 0007 GLU C 3.674 C A 0008 ASP CB
C A 0007 GLU CD 3.704 C A 0010 HIS CB
C A 0007 GLU CD 3.740 C A 0010 HIS CG
C A 0008 ASP C 2.457 C A 0009 GLY CA
C A 0008 ASP C 3.278 C A 0009 GLY C
C A 0009 GLY C 2.467 C A 0010 HIS CA
C A 0009 GLY C 2.951 C A 0010 HIS C
C A 0009 GLY C 3.729 C A 0010 HIS CB
C A 0010 HIS C 2.469 C A 0011 ALA CA
C A 0010 HIS C 3.658 C A 0011 ALA C
C A 0010 HIS C 3.226 C A 0011 ALA CB
C A 0010 HIS CD2 3.658 C A 0011 ALA CB
C A 0010 HIS CE1 3.584 H A 0057 GLU CD
C A 0010 HIS CG 3.694 C A 0058 VAL CG2
C A 0010 HIS CD2 3.609 C A 0058 VAL CG2
C A 0010 HIS CE1 3.797 C A 0058 VAL CG1
C A 0011 ALA C 2.485 C A 0012 HIS CA
C A 0011 ALA C 3.007 C A 0012 HIS C
C A 0011 ALA C 3.187 C A 0012 HIS CB
C A 0011 ALA C 3.610 C A 0012 HIS CG
C A 0011 ALA C 3.636 C A 0012 HIS CD2
C A 0011 ALA CB 3.413 C A 0012 HIS CD2
C A 0012 HIS C 2.458 C A 0013 ASP CA
C A 0012 HIS C 3.029 C A 0013 ASP C
C A 0012 HIS C 3.105 C A 0013 ASP CB
C A 0012 HIS C 3.282 C A 0013 ASP CG
C A 0012 HIS CG 3.790 H A 0055 PHE CE2
C A 0012 HIS CD2 3.763 H A 0055 PHE CD2
C A 0012 HIS CD2 3.187 H A 0055 PHE CE2
C A 0012 HIS CD2 3.667 H A 0055 PHE CZ
C A 0012 HIS CB 3.709 C A 0068 VAL CG1
C A 0012 HIS CG 3.380 C A 0068 VAL CG1
C A 0012 HIS CE1 3.339 C A 0068 VAL CG1
C A 0013 ASP C 2.436 C A 0014 TYR CA
C A 0013 ASP C 3.017 C A 0014 TYR C
C A 0013 ASP C 3.723 C A 0014 TYR CB
C A 0013 ASP CB 3.554 H A 0024 HIS CD2
C A 0013 ASP CG 3.790 H A 0024 HIS CD2
C A 0014 TYR C 2.466 C A 0015 VAL CA
C A 0014 TYR C 3.529 C A 0015 VAL C
C A 0014 TYR C 3.449 C A 0015 VAL CB
C A 0014 TYR C 3.473 C A 0015 VAL CG1
C A 0014 TYR CD1 3.746 C A 0015 VAL C
C A 0014 TYR CE1 3.598 C A 0015 VAL C
C A 0014 TYR CE1 3.727 C A 0016 ASN CG
C A 0014 TYR CE2 3.755 E A 0060 VAL CG1
C A 0015 VAL C 2.460 C A 0016 ASN CA
C A 0015 VAL C 3.164 C A 0016 ASN C
C A 0015 VAL C 3.726 C A 0016 ASN CB
C A 0015 VAL CG2 3.714 H A 0017 GLU C
C A 0015 VAL CB 3.794 H A 0020 ASP CB
C A 0015 VAL CG2 3.744 H A 0021 ALA CB
C A 0016 ASN C 2.462 H A 0017 GLU CA
C A 0016 ASN C 3.424 H A 0017 GLU C
C A 0016 ASN C 3.525 H A 0017 GLU CB
C A 0016 ASN CG 3.763 E A 0047 TRP CH2
C A 0016 ASN C 3.690 C A 0064 GLY CA
H A 0017 GLU C 2.464 H A 0018 ALA CA
H A 0017 GLU C 2.920 H A 0018 ALA C
H A 0017 GLU C 3.704 H A 0018 ALA CB
H A 0018 ALA C 2.462 H A 0019 ALA CA
H A 0018 ALA C 3.001 H A 0019 ALA C
H A 0018 ALA C 3.726 H A 0019 ALA CB
H A 0018 ALA C 3.682 C A 0027 TYR CZ
H A 0018 ALA CB 3.725 H A 0032 LEU CD1
H A 0019 ALA C 2.445 H A 0020 ASP CA
H A 0019 ALA C 2.931 H A 0020 ASP C
H A 0019 ALA C 3.731 H A 0020 ASP CB
H A 0020 ASP C 2.452 H A 0021 ALA CA
H A 0020 ASP C 3.168 H A 0021 ALA C
H A 0020 ASP C 3.709 H A 0021 ALA CB
H A 0021 ALA C 2.459 H A 0022 SER CA
H A 0021 ALA C 3.017 H A 0022 SER C
H A 0021 ALA C 3.709 H A 0022 SER CB
H A 0021 ALA C 3.745 C A 0027 TYR CG
H A 0021 ALA C 3.720 C A 0027 TYR CD2
H A 0021 ALA CB 3.671 C A 0027 TYR CD1
H A 0021 ALA CB 3.584 C A 0065 TRP CE3
H A 0022 SER C 2.462 H A 0023 GLY CA
H A 0022 SER C 3.175 H A 0023 GLY C
H A 0022 SER CA 3.767 C A 0027 TYR CD2
H A 0023 GLY C 2.469 H A 0024 HIS CA
H A 0023 GLY C 3.205 H A 0024 HIS C
H A 0023 GLY C 3.681 H A 0024 HIS CB
H A 0024 HIS CA 3.002 C A 0025 PRO CD
H A 0024 HIS C 2.469 C A 0025 PRO CA
H A 0024 HIS C 3.002 C A 0025 PRO C
H A 0024 HIS C 3.675 C A 0025 PRO CB
H A 0024 HIS C 3.679 C A 0025 PRO CG
H A 0024 HIS C 2.500 C A 0025 PRO CD
H A 0024 HIS CE1 3.279 C A 0026 ARG CB
H A 0024 HIS CE1 3.784 C A 0067 SER CB
C A 0025 PRO C 2.450 C A 0026 ARG CA
C A 0025 PRO C 3.102 C A 0026 ARG C
C A 0025 PRO C 3.744 C A 0026 ARG CB
C A 0026 ARG C 2.446 C A 0027 TYR CA
C A 0026 ARG C 3.141 C A 0027 TYR C
C A 0026 ARG C 3.707 C A 0027 TYR CB
C A 0026 ARG CD 3.737 C A 0065 TRP CZ2
C A 0027 TYR C 2.496 C A 0028 GLN CA
C A 0027 TYR C 3.522 C A 0028 GLN C
C A 0027 TYR C 3.494 C A 0028 GLN CB
C A 0027 TYR C 3.649 C A 0028 GLN CG
C A 0027 TYR C 3.288 C A 0028 GLN CD
C A 0027 TYR CD2 3.704 C A 0028 GLN C
C A 0027 TYR CE2 3.755 C A 0028 GLN C
C A 0027 TYR CA 3.624 C A 0065 TRP CZ2
C A 0027 TYR CD1 3.729 C A 0065 TRP CD2
C A 0027 TYR CD1 3.571 C A 0065 TRP CE2
C A 0028 GLN C 2.441 C A 0029 GLU CA
C A 0028 GLN C 3.075 C A 0029 GLU C
C A 0028 GLN C 3.723 C A 0029 GLU CB
C A 0029 GLU C 2.470 C A 0030 GLY CA
C A 0029 GLU C 3.236 C A 0030 GLY C
C A 0030 GLY C 2.444 C A 0031 GLN CA
C A 0030 GLY C 3.067 C A 0031 GLN C
C A 0030 GLY C 3.694 C A 0031 GLN CB
C A 0031 GLN C 2.485 H A 0032 LEU CA
C A 0031 GLN C 3.493 H A 0032 LEU C
C A 0031 GLN C 3.524 H A 0032 LEU CB
C A 0031 GLN C 3.683 H A 0032 LEU CD1
C A 0031 GLN CB 3.681 C A 0065 TRP CD1
C A 0031 GLN CB 3.774 C A 0069 TYR CE2
C A 0031 GLN CB 3.669 C A 0069 TYR CZ
C A 0031 GLN CG 3.501 C A 0069 TYR CE1
C A 0031 GLN CG 3.605 C A 0069 TYR CZ
C A 0031 GLN CD 3.649 C A 0069 TYR CD1
C A 0031 GLN CD 3.434 C A 0069 TYR CE1
H A 0032 LEU C 2.475 H A 0033 CYS CA
H A 0032 LEU C 2.926 H A 0033 CYS C
H A 0032 LEU C 3.707 H A 0033 CYS CB
H A 0032 LEU CG 3.708 C A 0063 GLU CA
H A 0032 LEU CD2 3.676 C A 0063 GLU CA
H A 0033 CYS C 2.430 H A 0034 GLU CA
H A 0033 CYS C 3.032 H A 0034 GLU C
H A 0033 CYS C 3.718 H A 0034 GLU CB
H A 0033 CYS C 3.534 E A 0039 TRP CE3
H A 0033 CYS CB 3.798 E A 0039 TRP CZ3
H A 0034 GLU C 2.485 H A 0035 ASN CA
H A 0034 GLU C 3.480 H A 0035 ASN C
H A 0034 GLU C 3.567 H A 0035 ASN CB
H A 0034 GLU CA 3.721 E A 0039 TRP CD2
H A 0035 ASN C 2.468 C A 0036 CYS CA
H A 0035 ASN C 3.229 C A 0036 CYS C
H A 0035 ASN C 3.614 C A 0036 CYS CB
C A 0036 CYS C 2.444 C A 0037 ALA CA
C A 0036 CYS C 3.033 C A 0037 ALA C
C A 0036 CYS C 3.712 C A 0037 ALA CB
C A 0036 CYS CA 3.475 C A 0069 TYR CE2
C A 0036 CYS CB 3.657 C A 0069 TYR CD2
C A 0036 CYS CB 3.623 C A 0069 TYR CE2
C A 0037 ALA C 2.448 C A 0038 PHE CA
C A 0037 ALA C 3.300 C A 0038 PHE C
C A 0037 ALA C 3.647 C A 0038 PHE CB
C A 0038 PHE C 2.426 E A 0039 TRP CA
C A 0038 PHE C 2.943 E A 0039 TRP C
C A 0038 PHE C 3.703 E A 0039 TRP CB
C A 0038 PHE CG 3.500 H A 0052 HIS CE1
C A 0038 PHE CD1 3.588 H A 0052 HIS CE1
C A 0038 PHE CD2 3.546 H A 0052 HIS CE1
C A 0038 PHE CE1 3.767 H A 0052 HIS CE1
C A 0038 PHE CE2 3.704 H A 0052 HIS CE1
E A 0039 TRP C 2.443 E A 0040 GLY CA
E A 0039 TRP C 3.187 E A 0040 GLY C
E A 0039 TRP CE2 3.719 E A 0041 GLU C
E A 0039 TRP CZ2 3.661 E A 0041 GLU C
E A 0039 TRP CZ2 3.705 E A 0042 ALA CA
E A 0039 TRP CH2 3.392 E A 0048 GLY CA
E A 0039 TRP CH2 3.645 C A 0062 ALA CA
E A 0040 GLY C 2.464 E A 0041 GLU CA
E A 0040 GLY C 3.661 E A 0041 GLU C
E A 0040 GLY C 3.160 E A 0041 GLU CB
E A 0041 GLU C 2.443 E A 0042 ALA CA
E A 0041 GLU C 3.113 E A 0042 ALA C
E A 0041 GLU C 3.707 E A 0042 ALA CB
E A 0042 ALA C 2.462 E A 0043 VAL CA
E A 0042 ALA C 3.380 E A 0043 VAL C
E A 0042 ALA C 3.557 E A 0043 VAL CB
E A 0042 ALA C 3.690 E A 0043 VAL CG2
E A 0042 ALA CA 3.777 E A 0048 GLY CA
E A 0043 VAL C 2.453 E A 0044 GLN CA
E A 0043 VAL C 3.702 E A 0044 GLN C
E A 0043 VAL C 3.144 E A 0044 GLN CB
E A 0043 VAL C 3.762 E A 0044 GLN CG
E A 0043 VAL CG2 3.617 E A 0048 GLY CA
E A 0043 VAL CG2 3.342 E A 0049 ARG CG
E A 0043 VAL CG2 3.778 C A 0059 LEU CD1
E A 0044 GLN C 2.517 C A 0045 ASP CA
E A 0044 GLN C 3.219 C A 0045 ASP C
E A 0044 GLN C 3.736 C A 0045 ASP CB
C A 0045 ASP C 2.458 C A 0046 GLY CA
C A 0045 ASP C 3.127 C A 0046 GLY C
C A 0045 ASP C 3.602 E A 0047 TRP CD1
C A 0045 ASP CG 3.708 E A 0047 TRP CD1
C A 0046 GLY C 2.473 E A 0047 TRP CA
C A 0046 GLY C 3.557 E A 0047 TRP C
C A 0046 GLY C 3.425 E A 0047 TRP CB
C A 0046 GLY C 3.518 E A 0047 TRP CG
C A 0046 GLY C 3.594 E A 0047 TRP CD1
C A 0046 GLY C 3.782 C A 0062 ALA CB
E A 0047 TRP C 2.452 E A 0048 GLY CA
E A 0047 TRP C 3.680 E A 0048 GLY C
E A 0047 TRP CB 3.613 C A 0059 LEU CD2
E A 0047 TRP CE3 3.446 E A 0060 VAL C
E A 0047 TRP CE3 3.348 E A 0061 LYS CA
E A 0047 TRP CE3 3.727 E A 0061 LYS CB
E A 0047 TRP CZ2 3.593 E A 0061 LYS CD
E A 0047 TRP CZ2 3.774 E A 0061 LYS CE
E A 0047 TRP CZ3 3.615 E A 0061 LYS CA
E A 0047 TRP CZ3 3.489 E A 0061 LYS CB
E A 0047 TRP CH2 3.741 E A 0061 LYS CB
E A 0047 TRP CH2 3.710 E A 0061 LYS CD
E A 0048 GLY CA 3.788 E A 0049 ARG CA
E A 0048 GLY C 2.443 E A 0049 ARG CA
E A 0048 GLY C 3.271 E A 0049 ARG C
E A 0048 GLY C 3.593 E A 0049 ARG CB
E A 0048 GLY C 3.743 E A 0049 ARG CG
E A 0048 GLY C 3.770 C A 0059 LEU CD1
E A 0049 ARG C 2.486 E A 0050 CYS CA
E A 0049 ARG C 3.579 E A 0050 CYS C
E A 0049 ARG C 3.370 E A 0050 CYS CB
E A 0049 ARG CZ 3.757 H A 0056 ASP CG
E A 0050 CYS C 2.474 C A 0051 THR CA
E A 0050 CYS C 3.175 C A 0051 THR C
E A 0050 CYS C 3.721 C A 0051 THR CB
E A 0050 CYS CB 3.589 E A 0060 VAL CG2
C A 0051 THR C 2.473 H A 0052 HIS CA
C A 0051 THR C 3.594 H A 0052 HIS C
C A 0051 THR C 3.322 H A 0052 HIS CB
C A 0051 THR C 3.752 H A 0052 HIS CG
H A 0052 HIS CA 2.989 H A 0053 PRO CD
H A 0052 HIS C 2.446 H A 0053 PRO CA
H A 0052 HIS C 2.974 H A 0053 PRO C
H A 0052 HIS C 3.674 H A 0053 PRO CB
H A 0052 HIS C 3.668 H A 0053 PRO CG
H A 0052 HIS C 2.503 H A 0053 PRO CD
H A 0052 HIS CD2 3.691 C A 0068 VAL CG2
H A 0053 PRO C 2.507 H A 0054 ASP CA
H A 0053 PRO C 3.191 H A 0054 ASP C
H A 0053 PRO C 3.723 H A 0054 ASP CB
H A 0054 ASP C 2.475 H A 0055 PHE CA
H A 0054 ASP C 3.739 H A 0055 PHE C
H A 0054 ASP C 3.087 H A 0055 PHE CB
H A 0054 ASP C 3.657 H A 0055 PHE CG
H A 0055 PHE C 2.487 H A 0056 ASP CA
H A 0055 PHE C 3.086 H A 0056 ASP C
H A 0055 PHE C 3.750 H A 0056 ASP CB
H A 0055 PHE C 3.729 H A 0057 GLU CG
H A 0055 PHE CD1 3.755 E A 0060 VAL CG1
H A 0055 PHE CE2 3.634 C A 0066 CYS CB
H A 0055 PHE CZ 3.352 C A 0066 CYS CB
H A 0056 ASP C 2.491 H A 0057 GLU CA
H A 0056 ASP C 2.931 H A 0057 GLU C
H A 0056 ASP C 3.758 H A 0057 GLU CB
H A 0057 GLU C 2.458 C A 0058 VAL CA
H A 0057 GLU C 3.462 C A 0058 VAL C
H A 0057 GLU C 3.505 C A 0058 VAL CB
H A 0057 GLU C 3.598 C A 0058 VAL CG1
C A 0058 VAL C 2.435 C A 0059 LEU CA
C A 0058 VAL C 3.139 C A 0059 LEU C
C A 0058 VAL C 3.633 C A 0059 LEU CB
C A 0059 LEU C 2.421 E A 0060 VAL CA
C A 0059 LEU C 3.199 E A 0060 VAL C
C A 0059 LEU C 3.650 E A 0060 VAL CB
E A 0060 VAL CA 3.795 E A 0061 LYS CA
E A 0060 VAL C 2.426 E A 0061 LYS CA
E A 0060 VAL C 2.987 E A 0061 LYS C
E A 0060 VAL C 3.688 E A 0061 LYS CB
E A 0061 LYS C 2.442 C A 0062 ALA CA
E A 0061 LYS C 2.974 C A 0062 ALA C
E A 0061 LYS C 3.692 C A 0062 ALA CB
C A 0062 ALA C 2.440 C A 0063 GLU CA
C A 0062 ALA C 3.272 C A 0063 GLU C
C A 0062 ALA C 3.687 C A 0063 GLU CB
C A 0063 GLU C 2.430 C A 0064 GLY CA
C A 0063 GLU C 3.076 C A 0064 GLY C
C A 0064 GLY C 2.450 C A 0065 TRP CA
C A 0064 GLY C 3.648 C A 0065 TRP C
C A 0064 GLY C 3.168 C A 0065 TRP CB
C A 0065 TRP C 2.466 C A 0066 CYS CA
C A 0065 TRP C 3.653 C A 0066 CYS C
C A 0065 TRP C 3.294 C A 0066 CYS CB
C A 0065 TRP CD2 3.631 C A 0066 CYS C
C A 0065 TRP CE3 3.491 C A 0066 CYS CA
C A 0065 TRP CE3 3.397 C A 0066 CYS C
C A 0065 TRP CZ3 3.500 C A 0066 CYS C
C A 0065 TRP CH2 3.770 C A 0067 SER CA
C A 0065 TRP CD1 3.750 C A 0069 TYR CD2
C A 0066 CYS C 2.430 C A 0067 SER CA
C A 0066 CYS C 3.149 C A 0067 SER C
C A 0066 CYS C 3.682 C A 0067 SER CB
C A 0067 SER C 2.445 C A 0068 VAL CA
C A 0067 SER C 3.131 C A 0068 VAL C
C A 0067 SER C 3.772 C A 0068 VAL CB
C A 0068 VAL C 2.469 C A 0069 TYR CA
C A 0068 VAL C 2.949 C A 0069 TYR C
C A 0068 VAL C 3.750 C A 0069 TYR CB
C A 0069 TYR C 2.475 C A 0070 ALA CA
C A 0069 TYR C 3.524 C A 0070 ALA C
C A 0069 TYR C 3.436 C A 0070 ALA CB
C A 0069 TYR CD1 3.748 C A 0070 ALA CA
C A 0069 TYR CD1 3.621 C A 0070 ALA C
C A 0069 TYR CE1 3.409 C A 0070 ALA C
C A 0069 TYR CE1 3.524 C A 0071 PRO CA
C A 0070 ALA CA 2.981 C A 0071 PRO CD
C A 0070 ALA C 2.443 C A 0071 PRO CA
C A 0070 ALA C 3.100 C A 0071 PRO C
C A 0070 ALA C 3.653 C A 0071 PRO CB
C A 0070 ALA C 3.684 C A 0071 PRO CG
C A 0070 ALA C 2.503 C A 0071 PRO CD
C A 0070 ALA CB 3.787 C A 0071 PRO CD
C A 0071 PRO C 2.459 C A 0072 ALA CA
C A 0071 PRO C 3.335 C A 0072 ALA C
C A 0071 PRO C 3.597 C A 0072 ALA CB
C A 0072 ALA C 2.503 C A 0073 SER CA
C A 0072 ALA C 3.665 C A 0073 SER C
C A 0072 ALA C 3.211 C A 0073 SER CB
CHARGE_ATTR 2.00 12.00 96
C A 0003 GLU OE1 11.79 C A 0005 ARG NH2
C A 0003 GLU OE2 11.96 C A 0005 ARG NH2
C A 0003 GLU OE1 11.85 C A 0010 HIS NE2
C A 0003 GLU OE1 2.631 E A 0049 ARG NH1
C A 0003 GLU OE1 2.644 E A 0049 ARG NH2
C A 0003 GLU OE2 4.734 E A 0049 ARG NH1
C A 0003 GLU OE2 4.639 E A 0049 ARG NH2
C A 0007 GLU OE1 2.763 C A 0010 HIS ND1
C A 0007 GLU OE1 4.691 C A 0010 HIS NE2
C A 0007 GLU OE2 2.704 C A 0010 HIS ND1
C A 0007 GLU OE2 4.856 C A 0010 HIS NE2
C A 0007 GLU OE1 11.32 C A 0012 HIS NE2
C A 0007 GLU OE2 11.45 C A 0012 HIS NE2
C A 0008 ASP OD2 11.32 C A 0005 ARG NH1
C A 0008 ASP OD1 10.69 C A 0010 HIS ND1
C A 0008 ASP OD1 12.00 C A 0010 HIS NE2
C A 0008 ASP OD2 10.23 C A 0010 HIS ND1
C A 0008 ASP OD2 11.82 C A 0010 HIS NE2
C A 0008 ASP OD1 10.00 E A 0061 LYS NZ
C A 0008 ASP OD2 9.896 E A 0061 LYS NZ
C A 0013 ASP OD1 11.92 C A 0010 HIS NE2
C A 0013 ASP OD1 7.216 C A 0012 HIS ND1
C A 0013 ASP OD1 8.821 C A 0012 HIS NE2
C A 0013 ASP OD2 6.753 C A 0012 HIS ND1
C A 0013 ASP OD2 8.580 C A 0012 HIS NE2
C A 0013 ASP OD1 6.413 H A 0024 HIS ND1
C A 0013 ASP OD1 4.234 H A 0024 HIS NE2
C A 0013 ASP OD2 4.752 H A 0024 HIS ND1
C A 0013 ASP OD2 2.643 H A 0024 HIS NE2
C A 0013 ASP OD1 11.89 C A 0026 ARG NH1
C A 0013 ASP OD2 9.698 C A 0026 ARG NH1
C A 0013 ASP OD2 10.33 C A 0026 ARG NH2
H A 0017 GLU OE1 8.084 E A 0061 LYS NZ
H A 0017 GLU OE2 9.281 E A 0061 LYS NZ
H A 0020 ASP OD1 11.77 H A 0024 HIS ND1
H A 0020 ASP OD1 11.73 H A 0024 HIS NE2
H A 0020 ASP OD2 9.772 H A 0024 HIS ND1
H A 0020 ASP OD2 9.579 H A 0024 HIS NE2
C A 0029 GLU OE2 11.80 H A 0024 HIS ND1
C A 0029 GLU OE1 11.68 C A 0026 ARG NH1
C A 0029 GLU OE2 11.76 C A 0026 ARG NH1
H A 0034 GLU OE1 8.473 E A 0061 LYS NZ
H A 0034 GLU OE2 9.903 E A 0061 LYS NZ
E A 0041 GLU OE1 9.617 E A 0049 ARG NH1
E A 0041 GLU OE1 10.99 E A 0049 ARG NH2
E A 0041 GLU OE2 11.63 E A 0049 ARG NH1
C A 0045 ASP OD1 3.859 C A 0005 ARG NH1
C A 0045 ASP OD1 2.670 C A 0005 ARG NH2
C A 0045 ASP OD2 2.613 C A 0005 ARG NH1
C A 0045 ASP OD2 3.015 C A 0005 ARG NH2
C A 0045 ASP OD1 11.87 E A 0049 ARG NH1
C A 0045 ASP OD1 8.236 E A 0061 LYS NZ
C A 0045 ASP OD2 6.802 E A 0061 LYS NZ
H A 0054 ASP OD1 10.85 C A 0010 HIS ND1
H A 0054 ASP OD1 8.708 C A 0010 HIS NE2
H A 0054 ASP OD2 10.18 C A 0010 HIS ND1
H A 0054 ASP OD2 8.177 C A 0010 HIS NE2
H A 0054 ASP OD1 6.412 C A 0012 HIS ND1
H A 0054 ASP OD1 4.636 C A 0012 HIS NE2
H A 0054 ASP OD2 4.206 C A 0012 HIS ND1
H A 0054 ASP OD2 2.515 C A 0012 HIS NE2
H A 0054 ASP OD1 5.085 H A 0052 HIS ND1
H A 0054 ASP OD1 4.708 H A 0052 HIS NE2
H A 0054 ASP OD2 5.588 H A 0052 HIS ND1
H A 0054 ASP OD2 4.635 H A 0052 HIS NE2
H A 0056 ASP OD1 11.81 C A 0010 HIS ND1
H A 0056 ASP OD1 10.48 C A 0010 HIS NE2
H A 0056 ASP OD2 11.57 C A 0010 HIS ND1
H A 0056 ASP OD2 10.20 C A 0010 HIS NE2
H A 0056 ASP OD1 4.604 E A 0049 ARG NH1
H A 0056 ASP OD1 3.329 E A 0049 ARG NH2
H A 0056 ASP OD2 4.756 E A 0049 ARG NH1
H A 0056 ASP OD2 2.662 E A 0049 ARG NH2
H A 0056 ASP OD1 9.378 H A 0052 HIS ND1
H A 0056 ASP OD1 11.26 H A 0052 HIS NE2
H A 0056 ASP OD2 10.36 H A 0052 HIS ND1
H A 0057 GLU OE1 4.537 C A 0010 HIS ND1
H A 0057 GLU OE1 3.183 C A 0010 HIS NE2
H A 0057 GLU OE2 4.745 C A 0010 HIS ND1
H A 0057 GLU OE2 2.653 C A 0010 HIS NE2
H A 0057 GLU OE1 10.71 C A 0012 HIS ND1
H A 0057 GLU OE1 8.778 C A 0012 HIS NE2
H A 0057 GLU OE2 8.643 C A 0012 HIS ND1
H A 0057 GLU OE2 6.649 C A 0012 HIS NE2
H A 0057 GLU OE1 11.68 E A 0049 ARG NH1
H A 0057 GLU OE1 9.939 E A 0049 ARG NH2
H A 0057 GLU OE2 11.89 E A 0049 ARG NH1
H A 0057 GLU OE2 10.12 E A 0049 ARG NH2
H A 0057 GLU OE2 10.33 H A 0052 HIS ND1
H A 0057 GLU OE2 10.56 H A 0052 HIS NE2
C A 0063 GLU OE1 9.186 C A 0005 ARG NH1
C A 0063 GLU OE1 10.21 C A 0005 ARG NH2
C A 0063 GLU OE2 9.681 C A 0005 ARG NH1
C A 0063 GLU OE2 11.06 C A 0005 ARG NH2
C A 0063 GLU OE1 2.601 E A 0061 LYS NZ
C A 0063 GLU OE2 2.544 E A 0061 LYS NZ
CHARGE_REPU 2.00 12.00 95
C A 0003 GLU OE1 5.934 H A 0056 ASP OD1
C A 0003 GLU OE1 5.092 H A 0056 ASP OD2
C A 0003 GLU OE2 7.906 H A 0056 ASP OD1
C A 0003 GLU OE2 6.748 H A 0056 ASP OD2
C A 0003 GLU OE1 10.62 H A 0057 GLU OE1
C A 0003 GLU OE1 11.28 H A 0057 GLU OE2
C A 0003 GLU OE2 10.71 H A 0057 GLU OE1
C A 0003 GLU OE2 11.77 H A 0057 GLU OE2
C A 0005 ARG NH2 11.40 E A 0049 ARG NH1
C A 0005 ARG NH1 7.240 E A 0061 LYS NZ
C A 0005 ARG NH2 8.691 E A 0061 LYS NZ
C A 0007 GLU OE1 9.250 C A 0008 ASP OD1
C A 0007 GLU OE1 8.342 C A 0008 ASP OD2
C A 0007 GLU OE2 10.14 C A 0008 ASP OD1
C A 0007 GLU OE2 9.238 C A 0008 ASP OD2
C A 0007 GLU OE1 6.626 H A 0057 GLU OE1
C A 0007 GLU OE1 7.127 H A 0057 GLU OE2
C A 0007 GLU OE2 6.567 H A 0057 GLU OE1
C A 0007 GLU OE2 7.282 H A 0057 GLU OE2
C A 0008 ASP OD1 11.64 C A 0013 ASP OD1
C A 0008 ASP OD1 7.894 H A 0017 GLU OE1
C A 0008 ASP OD1 9.334 H A 0017 GLU OE2
C A 0008 ASP OD2 8.726 H A 0017 GLU OE1
C A 0008 ASP OD2 10.50 H A 0017 GLU OE2
C A 0008 ASP OD1 5.938 H A 0020 ASP OD1
C A 0008 ASP OD1 5.620 H A 0020 ASP OD2
C A 0008 ASP OD2 7.492 H A 0020 ASP OD1
C A 0008 ASP OD2 7.513 H A 0020 ASP OD2
C A 0008 ASP OD1 10.92 C A 0063 GLU OE1
C A 0008 ASP OD1 10.92 C A 0063 GLU OE2
C A 0008 ASP OD2 11.25 C A 0063 GLU OE1
C A 0008 ASP OD2 11.25 C A 0063 GLU OE2
C A 0010 HIS ND1 10.37 C A 0012 HIS ND1
C A 0010 HIS ND1 9.020 C A 0012 HIS NE2
C A 0010 HIS NE2 8.946 C A 0012 HIS ND1
C A 0010 HIS NE2 7.321 C A 0012 HIS NE2
C A 0010 HIS ND1 11.97 E A 0049 ARG NH2
C A 0010 HIS NE2 11.02 E A 0049 ARG NH2
C A 0010 HIS NE2 11.75 H A 0052 HIS ND1
C A 0010 HIS NE2 11.93 H A 0052 HIS NE2
C A 0012 HIS ND1 10.70 H A 0024 HIS ND1
C A 0012 HIS ND1 9.060 H A 0024 HIS NE2
C A 0012 HIS NE2 10.89 H A 0024 HIS NE2
C A 0012 HIS ND1 11.53 C A 0026 ARG NH2
C A 0012 HIS ND1 8.244 H A 0052 HIS ND1
C A 0012 HIS ND1 6.794 H A 0052 HIS NE2
C A 0012 HIS NE2 7.262 H A 0052 HIS ND1
C A 0012 HIS NE2 6.199 H A 0052 HIS NE2
C A 0013 ASP OD1 10.12 H A 0020 ASP OD2
C A 0013 ASP OD2 10.44 H A 0020 ASP OD2
C A 0013 ASP OD1 11.26 H A 0054 ASP OD2
C A 0013 ASP OD2 10.85 H A 0054 ASP OD2
H A 0017 GLU OE1 6.820 H A 0020 ASP OD1
H A 0017 GLU OE1 8.257 H A 0020 ASP OD2
H A 0017 GLU OE2 7.275 H A 0020 ASP OD1
H A 0017 GLU OE2 8.580 H A 0020 ASP OD2
H A 0017 GLU OE1 10.59 C A 0029 GLU OE1
H A 0017 GLU OE1 9.465 C A 0029 GLU OE2
H A 0017 GLU OE2 8.649 C A 0029 GLU OE1
H A 0017 GLU OE2 7.515 C A 0029 GLU OE2
H A 0017 GLU OE1 8.866 C A 0063 GLU OE1
H A 0017 GLU OE1 7.364 C A 0063 GLU OE2
H A 0017 GLU OE2 9.520 C A 0063 GLU OE1
H A 0017 GLU OE2 8.003 C A 0063 GLU OE2
H A 0020 ASP OD1 10.48 C A 0029 GLU OE2
H A 0020 ASP OD2 10.48 C A 0029 GLU OE2
H A 0024 HIS ND1 6.899 C A 0026 ARG NH1
H A 0024 HIS ND1 8.480 C A 0026 ARG NH2
H A 0024 HIS NE2 8.295 C A 0026 ARG NH1
H A 0024 HIS NE2 9.465 C A 0026 ARG NH2
C A 0026 ARG NH2 11.82 H A 0052 HIS ND1
C A 0026 ARG NH2 10.98 H A 0052 HIS NE2
C A 0029 GLU OE1 11.10 H A 0034 GLU OE2
H A 0034 GLU OE1 5.954 C A 0063 GLU OE1
H A 0034 GLU OE1 7.227 C A 0063 GLU OE2
H A 0034 GLU OE2 7.365 C A 0063 GLU OE1
H A 0034 GLU OE2 8.214 C A 0063 GLU OE2
E A 0041 GLU OE1 10.36 H A 0056 ASP OD1
E A 0041 GLU OE1 11.83 H A 0056 ASP OD2
C A 0045 ASP OD1 9.395 C A 0063 GLU OE1
C A 0045 ASP OD1 10.26 C A 0063 GLU OE2
C A 0045 ASP OD2 8.432 C A 0063 GLU OE1
C A 0045 ASP OD2 8.918 C A 0063 GLU OE2
H A 0054 ASP OD1 9.911 H A 0056 ASP OD1
H A 0054 ASP OD1 9.911 H A 0056 ASP OD2
H A 0054 ASP OD2 11.12 H A 0056 ASP OD1
H A 0054 ASP OD2 11.33 H A 0056 ASP OD2
H A 0054 ASP OD1 8.652 H A 0057 GLU OE1
H A 0054 ASP OD1 6.718 H A 0057 GLU OE2
H A 0054 ASP OD2 8.841 H A 0057 GLU OE1
H A 0054 ASP OD2 6.719 H A 0057 GLU OE2
H A 0056 ASP OD1 9.902 H A 0057 GLU OE1
H A 0056 ASP OD1 9.352 H A 0057 GLU OE2
H A 0056 ASP OD2 8.969 H A 0057 GLU OE1
H A 0056 ASP OD2 8.779 H A 0057 GLU OE2
HB_MM 2.00 3.20 126
C A 0002 SER N 2.259 C A 0001 ALA O
C A 0003 GLU N 2.882 C A 0001 ALA O
C A 0003 GLU N 2.256 C A 0002 SER O
C A 0004 PRO N 2.247 C A 0003 GLU O
C A 0005 ARG N 2.252 C A 0004 PRO O
C A 0006 ALA N 2.257 C A 0005 ARG O
C A 0006 ALA N 2.776 C A 0059 LEU O
C A 0007 GLU N 2.254 C A 0006 ALA O
C A 0008 ASP N 2.249 C A 0007 GLU O
C A 0009 GLY N 3.092 C A 0007 GLU O
C A 0009 GLY N 2.247 C A 0008 ASP O
C A 0009 GLY N 2.751 C A 0014 TYR O
C A 0010 HIS N 2.844 C A 0007 GLU O
C A 0010 HIS N 2.251 C A 0009 GLY O
C A 0011 ALA N 2.251 C A 0010 HIS O
C A 0012 HIS N 2.261 C A 0011 ALA O
C A 0013 ASP N 3.075 C A 0011 ALA O
C A 0013 ASP N 2.255 C A 0012 HIS O
C A 0014 TYR N 2.928 C A 0011 ALA O
C A 0014 TYR N 2.987 C A 0012 HIS O
C A 0014 TYR N 2.252 C A 0013 ASP O
C A 0015 VAL N 2.256 C A 0014 TYR O
C A 0015 VAL N 2.865 C A 0065 TRP O
C A 0016 ASN N 2.259 C A 0015 VAL O
H A 0017 GLU N 2.257 C A 0016 ASN O
H A 0018 ALA N 2.253 H A 0017 GLU O
H A 0018 ALA N 2.770 C A 0063 GLU O
H A 0019 ALA N 3.094 H A 0017 GLU O
H A 0019 ALA N 2.258 H A 0018 ALA O
H A 0020 ASP N 2.821 H A 0017 GLU O
H A 0020 ASP N 3.087 H A 0018 ALA O
H A 0020 ASP N 2.256 H A 0019 ALA O
H A 0021 ALA N 2.829 H A 0018 ALA O
H A 0021 ALA N 3.037 H A 0019 ALA O
H A 0021 ALA N 2.246 H A 0020 ASP O
H A 0022 SER N 2.904 H A 0019 ALA O
H A 0022 SER N 2.940 H A 0020 ASP O
H A 0022 SER N 2.236 H A 0021 ALA O
H A 0023 GLY N 3.004 H A 0021 ALA O
H A 0023 GLY N 2.244 H A 0022 SER O
H A 0024 HIS N 2.779 H A 0021 ALA O
H A 0024 HIS N 2.239 H A 0023 GLY O
C A 0025 PRO N 2.237 H A 0024 HIS O
C A 0026 ARG N 3.162 H A 0024 HIS O
C A 0026 ARG N 2.242 C A 0025 PRO O
C A 0027 TYR N 2.821 H A 0024 HIS O
C A 0027 TYR N 3.140 C A 0025 PRO O
C A 0027 TYR N 2.237 C A 0026 ARG O
C A 0028 GLN N 2.254 C A 0027 TYR O
C A 0029 GLU N 2.268 C A 0028 GLN O
C A 0030 GLY N 2.251 C A 0029 GLU O
C A 0031 GLN N 3.011 C A 0029 GLU O
C A 0031 GLN N 2.244 C A 0030 GLY O
H A 0032 LEU N 3.154 C A 0030 GLY O
H A 0032 LEU N 2.254 C A 0031 GLN O
H A 0033 CYS N 2.252 H A 0032 LEU O
H A 0033 CYS N 2.776 C A 0064 GLY O
H A 0034 GLU N 3.074 H A 0032 LEU O
H A 0034 GLU N 2.230 H A 0033 CYS O
H A 0034 GLU N 2.900 C A 0062 ALA O
H A 0035 ASN N 2.784 H A 0032 LEU O
H A 0035 ASN N 3.005 H A 0033 CYS O
H A 0035 ASN N 2.254 H A 0034 GLU O
C A 0036 CYS N 2.867 H A 0033 CYS O
C A 0036 CYS N 2.248 H A 0035 ASN O
C A 0037 ALA N 2.234 C A 0036 CYS O
C A 0037 ALA N 2.809 C A 0070 ALA O
C A 0038 PHE N 3.137 C A 0036 CYS O
C A 0038 PHE N 2.251 C A 0037 ALA O
E A 0039 TRP N 2.852 C A 0036 CYS O
E A 0039 TRP N 2.233 C A 0038 PHE O
E A 0040 GLY N 2.248 E A 0039 TRP O
E A 0040 GLY N 2.782 E A 0049 ARG O
E A 0041 GLU N 2.252 E A 0040 GLY O
E A 0042 ALA N 2.266 E A 0041 GLU O
E A 0043 VAL N 2.252 E A 0042 ALA O
E A 0043 VAL N 2.792 E A 0047 TRP O
E A 0044 GLN N 2.254 E A 0043 VAL O
E A 0044 GLN N 2.973 E A 0047 TRP O
C A 0045 ASP N 2.253 E A 0044 GLN O
C A 0046 GLY N 2.675 E A 0044 GLN O
C A 0046 GLY N 2.241 C A 0045 ASP O
E A 0047 TRP N 2.243 C A 0046 GLY O
E A 0048 GLY N 2.264 E A 0047 TRP O
E A 0048 GLY N 2.823 E A 0060 VAL O
E A 0049 ARG N 2.839 E A 0041 GLU O
E A 0049 ARG N 2.253 E A 0048 GLY O
E A 0050 CYS N 2.264 E A 0049 ARG O
C A 0051 THR N 2.744 C A 0038 PHE O
C A 0051 THR N 2.243 E A 0050 CYS O
H A 0052 HIS N 2.761 E A 0050 CYS O
H A 0052 HIS N 2.237 C A 0051 THR O
H A 0053 PRO N 2.251 H A 0052 HIS O
H A 0054 ASP N 2.249 H A 0053 PRO O
H A 0055 PHE N 3.105 H A 0052 HIS O
H A 0055 PHE N 2.801 H A 0053 PRO O
H A 0055 PHE N 2.258 H A 0054 ASP O
H A 0056 ASP N 2.810 H A 0052 HIS O
H A 0056 ASP N 2.254 H A 0055 PHE O
H A 0057 GLU N 3.008 H A 0055 PHE O
H A 0057 GLU N 2.262 H A 0056 ASP O
C A 0058 VAL N 2.894 H A 0055 PHE O
C A 0058 VAL N 3.016 H A 0056 ASP O
C A 0058 VAL N 2.256 H A 0057 GLU O
C A 0059 LEU N 2.806 C A 0004 PRO O
C A 0059 LEU N 2.236 C A 0058 VAL O
E A 0060 VAL N 2.952 E A 0048 GLY O
E A 0060 VAL N 2.240 C A 0059 LEU O
E A 0061 LYS N 2.240 E A 0060 VAL O
C A 0062 ALA N 2.799 C A 0046 GLY O
C A 0062 ALA N 2.243 E A 0061 LYS O
C A 0063 GLU N 2.258 C A 0062 ALA O
C A 0064 GLY N 2.792 E A 0061 LYS O
C A 0064 GLY N 2.245 C A 0063 GLU O
C A 0065 TRP N 2.953 C A 0015 VAL O
C A 0065 TRP N 2.246 C A 0064 GLY O
C A 0066 CYS N 2.265 C A 0065 TRP O
C A 0067 SER N 2.859 C A 0012 HIS O
C A 0067 SER N 2.243 C A 0066 CYS O
C A 0068 VAL N 2.253 C A 0067 SER O
C A 0069 TYR N 3.105 C A 0066 CYS O
C A 0069 TYR N 2.256 C A 0068 VAL O
C A 0070 ALA N 2.259 C A 0069 TYR O
C A 0071 PRO N 2.250 C A 0070 ALA O
C A 0072 ALA N 2.257 C A 0071 PRO O
C A 0073 SER N 2.245 C A 0072 ALA O
HB_MS 2.00 3.20 19
C A 0001 ALA N 2.632 C A 0003 GLU OE1
C A 0001 ALA N 2.555 C A 0003 GLU OE2
C A 0001 ALA O 3.056 E A 0049 ARG NH1
C A 0006 ALA O 2.805 C A 0016 ASN ND2
C A 0012 HIS O 2.847 C A 0067 SER OG
C A 0016 ASN N 2.689 C A 0008 ASP OD1
H A 0019 ALA O 2.734 H A 0022 SER OG
C A 0026 ARG O 2.715 C A 0028 GLN NE2
C A 0027 TYR O 3.002 C A 0028 GLN NE2
C A 0028 GLN O 2.845 C A 0031 GLN NE2
C A 0030 GLY N 2.709 C A 0029 GLU OE1
C A 0030 GLY O 2.787 H A 0035 ASN ND2
H A 0032 LEU N 2.981 H A 0035 ASN OD1
H A 0035 ASN O 2.823 C A 0069 TYR OH
C A 0038 PHE O 2.725 C A 0051 THR OG1
C A 0051 THR O 2.694 H A 0052 HIS ND1
E A 0061 LYS N 2.807 C A 0014 TYR OH
C A 0069 TYR O 2.661 C A 0026 ARG NH2
C A 0072 ALA O 2.763 C A 0073 SER OG
HB_SS 2.00 3.20 8
C A 0008 ASP OD2 2.688 C A 0016 ASN ND2
C A 0013 ASP OD2 2.659 C A 0067 SER OG
C A 0014 TYR OH 2.695 C A 0016 ASN OD1
C A 0026 ARG NH1 2.691 C A 0028 GLN OE1
C A 0029 GLU OE2 2.624 C A 0027 TYR OH
C A 0031 GLN NE2 2.853 C A 0028 GLN OE1
C A 0045 ASP OD1 2.690 E A 0044 GLN NE2
C A 0069 TYR OH 2.698 H A 0035 ASN OD1
AROMATIC 0.00 8.00 3
C A 0027 TYR 5.245 C A 0065 TRP
C A 0005 ARG 4.981 E A 0047 TRP
C A 0026 ARG 5.103 C A 0069 TYR