Complet list of 1kx7 con file
Complete list of 1kx7.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 337
C A -001 LEU C 2.454 C A 0001 GLN CA
C A -001 LEU C 3.318 C A 0001 GLN C
C A -001 LEU C 3.647 C A 0001 GLN CB
C A -001 LEU CA 3.773 H A 0006 ILE CG1
C A -001 LEU CB 3.770 H A 0006 ILE CD1
C A -001 LEU CB 3.776 H A 0066 ASP CB
C A -001 LEU CB 3.765 H A 0066 ASP CG
C A -002 ASP C 2.485 C A -001 LEU CA
C A -002 ASP C 3.432 C A -001 LEU C
C A -002 ASP C 3.577 C A -001 LEU CB
C A -003 ALA C 2.471 C A -002 ASP CA
C A -003 ALA C 3.688 C A -002 ASP C
C A -003 ALA C 3.202 C A -002 ASP CB
C A -003 ALA C 3.612 C A -002 ASP CG
C A 0001 GLN C 2.447 H A 0002 ASP CA
C A 0001 GLN C 3.627 H A 0002 ASP C
C A 0001 GLN C 3.244 H A 0002 ASP CB
H A 0002 ASP C 2.454 H A 0003 ALA CA
H A 0002 ASP C 3.021 H A 0003 ALA C
H A 0002 ASP C 3.666 H A 0003 ALA CB
H A 0003 ALA C 2.434 H A 0004 GLU CA
H A 0003 ALA C 2.971 H A 0004 GLU C
H A 0003 ALA C 3.750 H A 0004 GLU CB
H A 0003 ALA CB 3.493 H A 0069 ALA C
H A 0003 ALA CB 3.350 H A 0069 ALA CB
H A 0004 GLU C 2.433 H A 0005 ALA CA
H A 0004 GLU C 3.055 H A 0005 ALA C
H A 0004 GLU C 3.706 H A 0005 ALA CB
H A 0004 GLU CA 3.627 H A 0007 TYR CD2
H A 0004 GLU CA 3.590 H A 0007 TYR CE2
H A 0004 GLU CG 3.667 H A 0007 TYR CE2
H A 0004 GLU CD 3.366 H A 0073 PHE CE2
H A 0004 GLU CD 3.514 H A 0073 PHE CZ
H A 0005 ALA C 2.435 H A 0006 ILE CA
H A 0005 ALA C 3.038 H A 0006 ILE C
H A 0005 ALA C 3.713 H A 0006 ILE CB
H A 0006 ILE C 2.406 H A 0007 TYR CA
H A 0006 ILE C 3.035 H A 0007 TYR C
H A 0006 ILE C 3.731 H A 0007 TYR CB
H A 0006 ILE CG2 3.714 H A 0070 ALA CB
H A 0007 TYR C 2.480 H A 0008 ASN CA
H A 0007 TYR C 3.167 H A 0008 ASN C
H A 0007 TYR C 3.703 H A 0008 ASN CB
H A 0007 TYR CD2 3.757 H A 0073 PHE CG
H A 0007 TYR CD2 3.565 H A 0073 PHE CD1
H A 0007 TYR CE2 3.563 H A 0073 PHE CG
H A 0007 TYR CE2 3.147 H A 0073 PHE CD1
H A 0007 TYR CE2 3.238 H A 0073 PHE CE1
H A 0007 TYR CE2 3.642 H A 0073 PHE CZ
H A 0007 TYR CZ 3.515 H A 0073 PHE CE1
H A 0008 ASN C 2.464 H A 0009 LYS CA
H A 0008 ASN C 3.346 H A 0009 LYS C
H A 0008 ASN C 3.645 H A 0009 LYS CB
H A 0008 ASN C 3.535 C A 0012 THR CB
H A 0008 ASN C 3.779 C A 0012 THR CG2
H A 0009 LYS C 2.485 H A 0010 ALA CA
H A 0009 LYS C 3.491 H A 0010 ALA C
H A 0009 LYS C 3.577 H A 0010 ALA CB
H A 0009 LYS C 3.356 C A 0012 THR CG2
H A 0010 ALA C 2.486 C A 0011 CYS CA
H A 0010 ALA C 3.204 C A 0011 CYS C
H A 0010 ALA C 3.710 C A 0011 CYS CB
C A 0011 CYS C 2.489 C A 0012 THR CA
C A 0011 CYS C 3.595 C A 0012 THR C
C A 0011 CYS C 3.473 C A 0012 THR CB
C A 0012 THR C 2.457 C A 0013 VAL CA
C A 0012 THR C 3.378 C A 0013 VAL C
C A 0012 THR C 3.537 C A 0013 VAL CB
C A 0012 THR C 3.622 C A 0013 VAL CG2
C A 0012 THR C 3.752 C A 0016 SER CB
C A 0013 VAL C 2.487 C A 0014 CYS CA
C A 0013 VAL C 3.335 C A 0014 CYS C
C A 0013 VAL C 3.589 C A 0014 CYS CB
C A 0014 CYS C 2.476 C A 0015 HIS CA
C A 0014 CYS C 3.219 C A 0015 HIS C
C A 0014 CYS C 3.685 C A 0015 HIS CB
C A 0014 CYS C 3.732 C A 0022 ALA CB
C A 0014 CYS CB 3.640 C A 0022 ALA CB
C A 0015 HIS C 2.471 C A 0016 SER CA
C A 0015 HIS C 3.022 C A 0016 SER C
C A 0015 HIS C 3.742 C A 0016 SER CB
C A 0015 HIS CE1 3.493 C A 0023 PRO CG
C A 0015 HIS CE1 3.664 C A 0023 PRO CD
C A 0016 SER C 2.477 C A 0017 MET CA
C A 0016 SER C 3.428 C A 0017 MET C
C A 0016 SER C 3.585 C A 0017 MET CB
C A 0017 MET C 2.479 C A 0018 GLY CA
C A 0017 MET C 3.342 C A 0018 GLY C
C A 0018 GLY C 2.486 C A 0019 VAL CA
C A 0018 GLY C 3.321 C A 0019 VAL C
C A 0018 GLY C 3.653 C A 0019 VAL CB
C A 0019 VAL C 2.479 C A 0020 ALA CA
C A 0019 VAL C 3.106 C A 0020 ALA C
C A 0019 VAL C 3.103 C A 0020 ALA CB
C A 0020 ALA C 2.479 C A 0021 GLY CA
C A 0020 ALA C 3.249 C A 0021 GLY C
C A 0021 GLY C 2.452 C A 0022 ALA CA
C A 0021 GLY C 3.176 C A 0022 ALA C
C A 0021 GLY C 3.688 C A 0022 ALA CB
C A 0022 ALA CA 2.890 C A 0023 PRO CD
C A 0022 ALA C 2.485 C A 0023 PRO CA
C A 0022 ALA C 3.182 C A 0023 PRO C
C A 0022 ALA C 3.649 C A 0023 PRO CB
C A 0022 ALA C 3.676 C A 0023 PRO CG
C A 0022 ALA C 2.478 C A 0023 PRO CD
C A 0022 ALA CB 3.513 C A 0023 PRO CD
C A 0023 PRO C 2.462 C A 0024 LYS CA
C A 0023 PRO C 3.099 C A 0024 LYS C
C A 0023 PRO C 3.711 C A 0024 LYS CB
C A 0023 PRO CA 3.692 C A 0030 ASP CG
C A 0023 PRO CB 3.393 C A 0030 ASP CG
C A 0023 PRO CB 3.529 C A 0078 LYS CD
C A 0023 PRO CG 3.555 C A 0078 LYS CD
C A 0023 PRO CG 3.540 C A 0078 LYS CE
C A 0024 LYS C 2.479 C A 0025 SER CA
C A 0024 LYS C 3.041 C A 0025 SER C
C A 0024 LYS C 3.727 C A 0025 SER CB
C A 0025 SER C 2.472 C A 0026 HIS CA
C A 0025 SER C 3.598 C A 0026 HIS C
C A 0025 SER C 3.376 C A 0026 HIS CB
C A 0026 HIS C 2.475 C A 0027 ASN CA
C A 0026 HIS C 3.672 C A 0027 ASN C
C A 0026 HIS C 3.231 C A 0027 ASN CB
C A 0027 ASN C 2.448 C A 0028 THR CA
C A 0027 ASN C 3.451 C A 0028 THR C
C A 0027 ASN C 3.538 C A 0028 THR CB
C A 0027 ASN CB 3.339 C A 0030 ASP CB
C A 0027 ASN CG 3.684 C A 0030 ASP CB
C A 0027 ASN C 3.551 C A 0031 TRP CD1
C A 0027 ASN CB 3.595 C A 0031 TRP CD1
C A 0028 THR C 2.473 C A 0029 ALA CA
C A 0028 THR C 3.279 C A 0029 ALA C
C A 0028 THR C 3.675 C A 0029 ALA CB
C A 0029 ALA C 2.498 C A 0030 ASP CA
C A 0029 ALA C 3.218 C A 0030 ASP C
C A 0029 ALA C 3.647 C A 0030 ASP CB
C A 0030 ASP C 2.500 C A 0031 TRP CA
C A 0030 ASP C 3.378 C A 0031 TRP C
C A 0030 ASP C 3.627 C A 0031 TRP CB
C A 0031 TRP C 2.492 C A 0032 GLU CA
C A 0031 TRP C 3.047 C A 0032 GLU C
C A 0031 TRP C 3.765 C A 0032 GLU CB
C A 0031 TRP C 3.562 C A 0033 PRO CD
C A 0031 TRP CZ2 3.305 H A 0074 MET CB
C A 0031 TRP CH2 3.144 H A 0074 MET CB
C A 0031 TRP CD2 3.671 H A 0075 SER CB
C A 0031 TRP CE3 3.450 H A 0075 SER CB
C A 0031 TRP CE3 3.719 C A 0077 ALA CB
C A 0031 TRP CZ3 3.711 C A 0077 ALA C
C A 0031 TRP CD2 3.500 C A 0078 LYS CG
C A 0031 TRP CE2 3.679 C A 0078 LYS CG
C A 0031 TRP CE2 3.645 C A 0078 LYS CD
C A 0031 TRP CE2 3.560 C A 0078 LYS CE
C A 0031 TRP CE3 3.604 C A 0078 LYS CG
C A 0031 TRP CZ2 3.219 C A 0078 LYS CE
C A 0031 TRP CZ3 3.677 C A 0078 LYS CA
C A 0031 TRP CZ3 3.466 C A 0078 LYS C
C A 0031 TRP CH2 3.354 C A 0078 LYS C
C A 0031 TRP CH2 3.660 C A 0078 LYS CE
C A 0032 GLU CA 3.027 C A 0033 PRO CD
C A 0032 GLU C 2.470 C A 0033 PRO CA
C A 0032 GLU C 3.152 C A 0033 PRO C
C A 0032 GLU C 3.678 C A 0033 PRO CB
C A 0032 GLU C 3.694 C A 0033 PRO CG
C A 0032 GLU C 2.518 C A 0033 PRO CD
C A 0032 GLU CB 3.344 C A 0033 PRO CD
C A 0033 PRO C 2.473 C A 0034 ARG CA
C A 0033 PRO C 3.300 C A 0034 ARG C
C A 0033 PRO C 3.616 C A 0034 ARG CB
C A 0033 PRO C 3.782 C A 0034 ARG CG
C A 0034 ARG C 2.502 C A 0035 LEU CA
C A 0034 ARG C 3.188 C A 0035 LEU C
C A 0034 ARG C 3.735 C A 0035 LEU CB
C A 0034 ARG CD 3.714 H A 0042 LEU CD1
C A 0034 ARG CB 3.461 C A 0077 ALA CB
C A 0035 LEU C 2.462 C A 0036 ALA CA
C A 0035 LEU C 3.256 C A 0036 ALA C
C A 0035 LEU C 3.646 C A 0036 ALA CB
C A 0035 LEU CG 3.795 C A 0077 ALA CB
C A 0035 LEU CD1 3.765 C A 0077 ALA CB
C A 0036 ALA C 2.467 C A 0037 LYS CA
C A 0036 ALA C 3.326 C A 0037 LYS C
C A 0036 ALA C 3.630 C A 0037 LYS CB
C A 0037 LYS C 2.462 C A 0038 GLY CA
C A 0037 LYS C 3.715 C A 0038 GLY C
C A 0038 GLY C 2.473 H A 0039 VAL CA
C A 0038 GLY C 3.574 H A 0039 VAL C
C A 0038 GLY C 3.429 H A 0039 VAL CB
C A 0038 GLY C 3.326 H A 0039 VAL CG2
H A 0039 VAL C 2.492 H A 0040 ASP CA
H A 0039 VAL C 3.038 H A 0040 ASP C
H A 0039 VAL C 3.690 H A 0040 ASP CB
H A 0040 ASP C 2.494 H A 0041 ASN CA
H A 0040 ASP C 3.051 H A 0041 ASN C
H A 0040 ASP C 3.754 H A 0041 ASN CB
H A 0040 ASP CG 3.657 H A 0068 LYS CE
H A 0041 ASN C 2.468 H A 0042 LEU CA
H A 0041 ASN C 3.341 H A 0042 LEU C
H A 0041 ASN C 3.597 H A 0042 LEU CB
H A 0041 ASN C 3.793 H A 0042 LEU CD1
H A 0041 ASN CA 3.593 H A 0044 LYS CG
H A 0041 ASN C 3.405 H A 0044 LYS CG
H A 0042 LEU C 2.476 H A 0043 VAL CA
H A 0042 LEU C 3.017 H A 0043 VAL C
H A 0042 LEU C 3.795 H A 0043 VAL CB
H A 0042 LEU CG 3.767 C A 0077 ALA C
H A 0043 VAL C 2.430 H A 0044 LYS CA
H A 0043 VAL C 3.093 H A 0044 LYS C
H A 0043 VAL C 3.734 H A 0044 LYS CB
H A 0043 VAL CA 3.355 H A 0046 VAL CG1
H A 0043 VAL C 3.482 H A 0046 VAL CG1
H A 0043 VAL CG2 3.784 H A 0067 TYR CB
H A 0043 VAL CB 3.787 H A 0068 LYS CD
H A 0044 LYS C 2.464 H A 0045 SER CA
H A 0044 LYS C 3.057 H A 0045 SER C
H A 0044 LYS C 3.735 H A 0045 SER CB
H A 0045 SER C 2.464 H A 0046 VAL CA
H A 0045 SER C 3.099 H A 0046 VAL C
H A 0045 SER C 3.715 H A 0046 VAL CB
H A 0046 VAL C 2.429 H A 0047 LYS CA
H A 0046 VAL C 3.012 H A 0047 LYS C
H A 0046 VAL C 3.721 H A 0047 LYS CB
H A 0046 VAL CA 3.644 C A 0053 MET CE
H A 0046 VAL CG2 3.577 C A 0053 MET CE
H A 0046 VAL CG1 3.555 H A 0067 TYR CE1
H A 0046 VAL CG2 3.608 H A 0067 TYR CE1
H A 0047 LYS C 2.458 H A 0048 THR CA
H A 0047 LYS C 3.176 H A 0048 THR C
H A 0047 LYS C 3.705 H A 0048 THR CB
H A 0047 LYS C 3.718 C A 0056 GLY CA
H A 0048 THR C 2.457 H A 0049 GLY CA
H A 0048 THR C 3.263 H A 0049 GLY C
H A 0049 GLY CA 3.793 C A 0050 LEU CA
H A 0049 GLY C 2.448 C A 0050 LEU CA
H A 0049 GLY C 3.131 C A 0050 LEU C
H A 0049 GLY C 3.665 C A 0050 LEU CB
H A 0049 GLY CA 3.731 C A 0055 PRO CA
C A 0050 LEU C 2.467 C A 0051 ASN CA
C A 0050 LEU C 3.104 C A 0051 ASN C
C A 0050 LEU C 3.735 C A 0051 ASN CB
C A 0051 ASN CA 3.794 C A 0052 ALA CA
C A 0051 ASN C 2.471 C A 0052 ALA CA
C A 0051 ASN C 3.251 C A 0052 ALA C
C A 0051 ASN C 3.643 C A 0052 ALA CB
C A 0052 ALA C 2.468 C A 0053 MET CA
C A 0052 ALA C 3.489 C A 0053 MET C
C A 0052 ALA C 3.547 C A 0053 MET CB
C A 0053 MET CA 2.972 C A 0054 PRO CD
C A 0053 MET C 2.444 C A 0054 PRO CA
C A 0053 MET C 3.093 C A 0054 PRO C
C A 0053 MET C 3.654 C A 0054 PRO CB
C A 0053 MET C 3.678 C A 0054 PRO CG
C A 0053 MET C 2.501 C A 0054 PRO CD
C A 0053 MET CB 3.738 C A 0054 PRO CD
C A 0054 PRO CA 2.938 C A 0055 PRO CD
C A 0054 PRO C 2.466 C A 0055 PRO CA
C A 0054 PRO C 3.064 C A 0055 PRO C
C A 0054 PRO C 3.676 C A 0055 PRO CB
C A 0054 PRO C 3.679 C A 0055 PRO CG
C A 0054 PRO C 2.497 C A 0055 PRO CD
C A 0054 PRO CB 3.611 C A 0055 PRO CD
C A 0054 PRO CG 3.715 C A 0058 MET CB
C A 0055 PRO C 2.448 C A 0056 GLY CA
C A 0055 PRO C 3.470 C A 0056 GLY C
C A 0056 GLY C 2.481 C A 0057 GLY CA
C A 0056 GLY C 3.062 C A 0057 GLY C
C A 0057 GLY C 2.493 C A 0058 MET CA
C A 0057 GLY C 3.123 C A 0058 MET C
C A 0057 GLY C 3.122 C A 0058 MET CB
C A 0058 MET C 2.497 C A 0059 CYS CA
C A 0058 MET C 3.508 C A 0059 CYS C
C A 0058 MET C 3.501 C A 0059 CYS CB
C A 0059 CYS C 2.472 C A 0060 THR CA
C A 0059 CYS C 3.674 C A 0060 THR C
C A 0059 CYS C 3.284 C A 0060 THR CB
C A 0059 CYS C 3.773 C A 0060 THR CG2
C A 0059 CYS CB 3.676 C A 0062 CYS CB
C A 0060 THR C 2.471 C A 0061 ASP CA
C A 0060 THR C 3.429 C A 0061 ASP C
C A 0060 THR C 3.522 C A 0061 ASP CB
C A 0060 THR C 3.559 C A 0061 ASP CG
C A 0061 ASP C 2.478 C A 0062 CYS CA
C A 0061 ASP C 3.296 C A 0062 CYS C
C A 0061 ASP C 3.650 C A 0062 CYS CB
C A 0062 CYS C 2.456 H A 0063 THR CA
C A 0062 CYS C 3.242 H A 0063 THR C
C A 0062 CYS C 3.654 H A 0063 THR CB
H A 0063 THR C 2.475 H A 0064 ASP CA
H A 0063 THR C 3.028 H A 0064 ASP C
H A 0063 THR C 3.719 H A 0064 ASP CB
H A 0064 ASP C 2.450 H A 0065 GLU CA
H A 0064 ASP C 2.954 H A 0065 GLU C
H A 0064 ASP C 3.718 H A 0065 GLU CB
H A 0065 GLU C 2.448 H A 0066 ASP CA
H A 0065 GLU C 3.159 H A 0066 ASP C
H A 0065 GLU C 3.682 H A 0066 ASP CB
H A 0066 ASP C 2.463 H A 0067 TYR CA
H A 0066 ASP C 3.044 H A 0067 TYR C
H A 0066 ASP C 3.723 H A 0067 TYR CB
H A 0067 TYR C 2.473 H A 0068 LYS CA
H A 0067 TYR C 3.048 H A 0068 LYS C
H A 0067 TYR C 3.749 H A 0068 LYS CB
H A 0068 LYS C 2.439 H A 0069 ALA CA
H A 0068 LYS C 2.995 H A 0069 ALA C
H A 0068 LYS C 3.710 H A 0069 ALA CB
H A 0069 ALA C 2.461 H A 0070 ALA CA
H A 0069 ALA C 3.127 H A 0070 ALA C
H A 0069 ALA C 3.716 H A 0070 ALA CB
H A 0069 ALA CA 3.731 H A 0072 GLU CG
H A 0070 ALA C 2.471 H A 0071 ILE CA
H A 0070 ALA C 3.079 H A 0071 ILE C
H A 0070 ALA C 3.727 H A 0071 ILE CB
H A 0071 ILE C 2.460 H A 0072 GLU CA
H A 0071 ILE C 3.182 H A 0072 GLU C
H A 0071 ILE C 3.699 H A 0072 GLU CB
H A 0071 ILE CG2 3.460 C A 0077 ALA C
H A 0071 ILE CG1 3.795 C A 0078 LYS C
H A 0072 GLU C 2.453 H A 0073 PHE CA
H A 0072 GLU C 2.912 H A 0073 PHE C
H A 0072 GLU C 3.726 H A 0073 PHE CB
H A 0072 GLU CA 3.763 H A 0075 SER C
H A 0073 PHE C 2.457 H A 0074 MET CA
H A 0073 PHE C 3.114 H A 0074 MET C
H A 0073 PHE C 3.691 H A 0074 MET CB
H A 0074 MET C 2.462 H A 0075 SER CA
H A 0074 MET C 3.733 H A 0075 SER C
H A 0074 MET C 3.057 H A 0075 SER CB
H A 0075 SER C 2.502 C A 0076 LYS CA
H A 0075 SER C 3.757 C A 0076 LYS C
H A 0075 SER C 3.015 C A 0076 LYS CB
H A 0075 SER C 3.269 C A 0076 LYS CG
C A 0076 LYS C 2.468 C A 0077 ALA CA
C A 0076 LYS C 3.765 C A 0077 ALA C
C A 0076 LYS C 3.131 C A 0077 ALA CB
C A 0077 ALA C 2.489 C A 0078 LYS CA
C A 0077 ALA C 3.408 C A 0078 LYS C
C A 0077 ALA C 3.642 C A 0078 LYS CB
CHARGE_ATTR 2.00 12.00 38
C A -002 ASP OD1 10.22 H A 0009 LYS NZ
C A -002 ASP OD2 9.050 H A 0009 LYS NZ
H A 0004 GLU OE2 11.70 C A 0026 HIS ND1
H A 0004 GLU OE2 11.92 C A 0026 HIS NE2
C A 0030 ASP OD1 7.511 C A 0015 HIS ND1
C A 0030 ASP OD1 8.729 C A 0015 HIS NE2
C A 0030 ASP OD2 7.116 C A 0015 HIS ND1
C A 0030 ASP OD2 8.734 C A 0015 HIS NE2
C A 0030 ASP OD1 6.923 C A 0024 LYS NZ
C A 0030 ASP OD2 4.991 C A 0024 LYS NZ
C A 0030 ASP OD1 11.63 C A 0026 HIS ND1
C A 0030 ASP OD1 11.44 C A 0026 HIS NE2
C A 0030 ASP OD2 9.637 C A 0026 HIS ND1
C A 0030 ASP OD2 9.286 C A 0026 HIS NE2
C A 0030 ASP OD1 8.863 C A 0034 ARG NH1
C A 0030 ASP OD1 7.954 C A 0034 ARG NH2
C A 0030 ASP OD2 10.93 C A 0034 ARG NH1
C A 0030 ASP OD2 10.16 C A 0034 ARG NH2
C A 0030 ASP OD1 5.451 C A 0078 LYS NZ
C A 0030 ASP OD2 4.932 C A 0078 LYS NZ
C A 0032 GLU OE1 11.10 C A 0034 ARG NH2
C A 0032 GLU OE2 11.21 C A 0034 ARG NH2
H A 0040 ASP OD1 11.45 H A 0044 LYS NZ
H A 0040 ASP OD2 11.24 H A 0044 LYS NZ
H A 0040 ASP OD1 3.033 H A 0068 LYS NZ
H A 0040 ASP OD2 2.572 H A 0068 LYS NZ
H A 0040 ASP OD1 10.44 C A 0076 LYS NZ
C A 0061 ASP OD1 10.52 H A 0009 LYS NZ
H A 0064 ASP OD1 10.20 H A 0047 LYS NZ
H A 0064 ASP OD2 8.943 H A 0047 LYS NZ
H A 0064 ASP OD1 4.791 H A 0068 LYS NZ
H A 0064 ASP OD2 6.873 H A 0068 LYS NZ
H A 0065 GLU OE1 11.45 H A 0068 LYS NZ
H A 0065 GLU OE2 11.78 H A 0068 LYS NZ
H A 0072 GLU OE1 6.964 H A 0068 LYS NZ
H A 0072 GLU OE2 9.137 H A 0068 LYS NZ
H A 0072 GLU OE1 8.533 C A 0076 LYS NZ
H A 0072 GLU OE2 9.109 C A 0076 LYS NZ
CHARGE_REPU 2.00 12.00 82
C A -002 ASP OD1 11.38 H A 0002 ASP OD1
C A -002 ASP OD1 11.20 H A 0002 ASP OD2
C A -002 ASP OD2 11.87 H A 0002 ASP OD2
C A -002 ASP OD1 9.679 C A 0061 ASP OD1
C A -002 ASP OD1 10.80 C A 0061 ASP OD2
C A -002 ASP OD2 9.930 C A 0061 ASP OD1
C A -002 ASP OD2 11.40 C A 0061 ASP OD2
C A -002 ASP OD1 11.94 H A 0065 GLU OE2
C A -002 ASP OD1 9.764 H A 0066 ASP OD1
C A -002 ASP OD1 9.088 H A 0066 ASP OD2
C A -002 ASP OD2 11.48 H A 0066 ASP OD1
C A -002 ASP OD2 10.83 H A 0066 ASP OD2
H A 0002 ASP OD1 5.586 H A 0004 GLU OE1
H A 0002 ASP OD1 6.739 H A 0004 GLU OE2
H A 0002 ASP OD2 5.327 H A 0004 GLU OE1
H A 0002 ASP OD2 6.846 H A 0004 GLU OE2
H A 0002 ASP OD1 7.398 H A 0066 ASP OD1
H A 0002 ASP OD1 9.224 H A 0066 ASP OD2
H A 0002 ASP OD2 8.994 H A 0066 ASP OD1
H A 0002 ASP OD2 10.71 H A 0066 ASP OD2
H A 0002 ASP OD1 11.16 H A 0072 GLU OE1
H A 0002 ASP OD1 10.01 H A 0072 GLU OE2
H A 0002 ASP OD2 11.94 H A 0072 GLU OE2
C A 0015 HIS ND1 9.803 C A 0024 LYS NZ
C A 0015 HIS NE2 11.49 C A 0024 LYS NZ
C A 0015 HIS ND1 11.95 C A 0026 HIS ND1
C A 0015 HIS ND1 11.39 C A 0026 HIS NE2
C A 0015 HIS ND1 11.38 C A 0034 ARG NH1
C A 0015 HIS ND1 11.90 C A 0034 ARG NH2
C A 0015 HIS NE2 11.09 C A 0034 ARG NH1
C A 0015 HIS NE2 11.82 C A 0034 ARG NH2
C A 0015 HIS ND1 3.456 C A 0078 LYS NZ
C A 0015 HIS NE2 5.372 C A 0078 LYS NZ
C A 0024 LYS NZ 8.621 C A 0026 HIS ND1
C A 0024 LYS NZ 7.364 C A 0026 HIS NE2
C A 0024 LYS NZ 8.551 C A 0078 LYS NZ
C A 0026 HIS ND1 9.810 C A 0078 LYS NZ
C A 0026 HIS NE2 9.730 C A 0078 LYS NZ
C A 0030 ASP OD1 10.86 C A 0032 GLU OE1
C A 0030 ASP OD1 11.93 C A 0032 GLU OE2
C A 0030 ASP OD2 11.83 C A 0032 GLU OE1
C A 0034 ARG NH1 6.141 C A 0037 LYS NZ
C A 0034 ARG NH2 6.334 C A 0037 LYS NZ
C A 0034 ARG NH1 8.861 H A 0044 LYS NZ
C A 0034 ARG NH2 10.83 H A 0044 LYS NZ
C A 0034 ARG NH1 10.44 C A 0078 LYS NZ
C A 0034 ARG NH2 10.73 C A 0078 LYS NZ
C A 0037 LYS NZ 9.335 H A 0044 LYS NZ
H A 0040 ASP OD1 6.725 H A 0064 ASP OD1
H A 0040 ASP OD1 8.623 H A 0064 ASP OD2
H A 0040 ASP OD2 4.928 H A 0064 ASP OD1
H A 0040 ASP OD2 6.622 H A 0064 ASP OD2
H A 0040 ASP OD1 9.059 H A 0072 GLU OE1
H A 0040 ASP OD1 11.24 H A 0072 GLU OE2
H A 0040 ASP OD2 9.508 H A 0072 GLU OE1
H A 0040 ASP OD2 11.69 H A 0072 GLU OE2
H A 0044 LYS NZ 8.851 H A 0047 LYS NZ
C A 0061 ASP OD2 11.24 H A 0065 GLU OE2
C A 0061 ASP OD1 10.86 H A 0066 ASP OD2
C A 0061 ASP OD2 10.92 H A 0066 ASP OD2
H A 0064 ASP OD1 9.776 H A 0065 GLU OE1
H A 0064 ASP OD1 9.193 H A 0065 GLU OE2
H A 0064 ASP OD2 9.586 H A 0065 GLU OE1
H A 0064 ASP OD2 8.576 H A 0065 GLU OE2
H A 0064 ASP OD1 10.44 H A 0066 ASP OD1
H A 0064 ASP OD1 9.791 H A 0066 ASP OD2
H A 0064 ASP OD2 10.70 H A 0066 ASP OD1
H A 0064 ASP OD2 9.599 H A 0066 ASP OD2
H A 0064 ASP OD1 9.627 H A 0072 GLU OE1
H A 0064 ASP OD1 11.57 H A 0072 GLU OE2
H A 0064 ASP OD2 11.57 H A 0072 GLU OE1
H A 0065 GLU OE1 5.491 H A 0066 ASP OD1
H A 0065 GLU OE1 5.124 H A 0066 ASP OD2
H A 0065 GLU OE2 5.551 H A 0066 ASP OD1
H A 0065 GLU OE2 4.291 H A 0066 ASP OD2
H A 0065 GLU OE1 11.08 H A 0072 GLU OE1
H A 0065 GLU OE1 11.46 H A 0072 GLU OE2
H A 0066 ASP OD1 9.782 H A 0072 GLU OE1
H A 0066 ASP OD1 9.751 H A 0072 GLU OE2
H A 0066 ASP OD2 11.19 H A 0072 GLU OE1
H A 0066 ASP OD2 11.49 H A 0072 GLU OE2
H A 0068 LYS NZ 10.82 C A 0076 LYS NZ
HB_MM 2.00 3.20 131
C A -001 LEU N 2.259 C A -002 ASP O
C A -002 ASP N 2.254 C A -003 ALA O
C A 0001 GLN N 2.240 C A -001 LEU O
H A 0002 ASP N 2.255 C A 0001 GLN O
H A 0003 ALA N 2.246 H A 0002 ASP O
H A 0004 GLU N 2.257 H A 0003 ALA O
H A 0005 ALA N 2.913 H A 0002 ASP O
H A 0005 ALA N 2.234 H A 0004 GLU O
H A 0006 ILE N 2.801 H A 0002 ASP O
H A 0006 ILE N 2.234 H A 0005 ALA O
H A 0007 TYR N 3.009 H A 0003 ALA O
H A 0007 TYR N 2.241 H A 0006 ILE O
H A 0008 ASN N 2.768 H A 0004 GLU O
H A 0008 ASN N 2.243 H A 0007 TYR O
H A 0009 LYS N 2.760 H A 0005 ALA O
H A 0009 LYS N 2.235 H A 0008 ASN O
H A 0010 ALA N 2.854 H A 0006 ILE O
H A 0010 ALA N 3.143 H A 0007 TYR O
H A 0010 ALA N 2.244 H A 0009 LYS O
C A 0011 CYS N 2.813 H A 0007 TYR O
C A 0011 CYS N 2.239 H A 0010 ALA O
C A 0012 THR N 2.794 H A 0010 ALA O
C A 0012 THR N 2.232 C A 0011 CYS O
C A 0013 VAL N 2.248 C A 0012 THR O
C A 0014 CYS N 2.253 C A 0013 VAL O
C A 0015 HIS N 2.244 C A 0014 CYS O
C A 0016 SER N 2.256 C A 0015 HIS O
C A 0017 MET N 2.257 C A 0016 SER O
C A 0018 GLY N 2.727 C A 0014 CYS O
C A 0018 GLY N 2.244 C A 0017 MET O
C A 0019 VAL N 2.842 C A 0014 CYS O
C A 0019 VAL N 2.247 C A 0018 GLY O
C A 0020 ALA N 2.237 C A 0019 VAL O
C A 0021 GLY N 3.050 C A 0019 VAL O
C A 0021 GLY N 2.247 C A 0020 ALA O
C A 0022 ALA N 2.841 C A 0019 VAL O
C A 0022 ALA N 2.239 C A 0021 GLY O
C A 0023 PRO N 2.253 C A 0022 ALA O
C A 0024 LYS N 2.243 C A 0023 PRO O
C A 0025 SER N 3.073 C A 0015 HIS O
C A 0025 SER N 2.260 C A 0024 LYS O
C A 0026 HIS N 3.133 C A 0024 LYS O
C A 0026 HIS N 2.242 C A 0025 SER O
C A 0027 ASN N 2.240 C A 0026 HIS O
C A 0028 THR N 2.250 C A 0027 ASN O
C A 0029 ALA N 2.235 C A 0028 THR O
C A 0030 ASP N 2.245 C A 0029 ALA O
C A 0031 TRP N 2.249 C A 0030 ASP O
C A 0032 GLU N 2.823 C A 0028 THR O
C A 0032 GLU N 2.240 C A 0031 TRP O
C A 0033 PRO N 2.240 C A 0032 GLU O
C A 0034 ARG N 2.891 C A 0031 TRP O
C A 0034 ARG N 3.039 C A 0032 GLU O
C A 0034 ARG N 2.245 C A 0033 PRO O
C A 0035 LEU N 2.928 C A 0031 TRP O
C A 0035 LEU N 2.253 C A 0034 ARG O
C A 0036 ALA N 2.839 C A 0034 ARG O
C A 0036 ALA N 2.236 C A 0035 LEU O
C A 0037 LYS N 2.254 C A 0036 ALA O
C A 0038 GLY N 2.244 C A 0037 LYS O
H A 0039 VAL N 2.250 C A 0038 GLY O
H A 0040 ASP N 2.238 H A 0039 VAL O
H A 0041 ASN N 2.946 H A 0039 VAL O
H A 0041 ASN N 2.243 H A 0040 ASP O
H A 0042 LEU N 2.832 H A 0039 VAL O
H A 0042 LEU N 2.869 H A 0040 ASP O
H A 0042 LEU N 2.245 H A 0041 ASN O
H A 0043 VAL N 3.002 H A 0040 ASP O
H A 0043 VAL N 2.245 H A 0042 LEU O
H A 0044 LYS N 2.891 H A 0040 ASP O
H A 0044 LYS N 3.130 H A 0042 LEU O
H A 0044 LYS N 2.230 H A 0043 VAL O
H A 0045 SER N 2.760 H A 0042 LEU O
H A 0045 SER N 2.236 H A 0044 LYS O
H A 0046 VAL N 2.791 H A 0042 LEU O
H A 0046 VAL N 2.245 H A 0045 SER O
H A 0047 LYS N 3.061 H A 0043 VAL O
H A 0047 LYS N 2.254 H A 0046 VAL O
H A 0048 THR N 2.847 H A 0044 LYS O
H A 0048 THR N 2.235 H A 0047 LYS O
H A 0049 GLY N 2.790 H A 0045 SER O
H A 0049 GLY N 3.107 H A 0046 VAL O
H A 0049 GLY N 2.245 H A 0048 THR O
C A 0050 LEU N 2.246 H A 0049 GLY O
C A 0051 ASN N 2.214 C A 0050 LEU O
C A 0052 ALA N 2.252 C A 0051 ASN O
C A 0053 MET N 2.254 C A 0052 ALA O
C A 0054 PRO N 2.233 C A 0053 MET O
C A 0055 PRO N 2.254 C A 0054 PRO O
C A 0056 GLY N 2.888 H A 0047 LYS O
C A 0056 GLY N 2.996 C A 0054 PRO O
C A 0056 GLY N 2.255 C A 0055 PRO O
C A 0057 GLY N 2.929 H A 0046 VAL O
C A 0057 GLY N 3.154 C A 0054 PRO O
C A 0057 GLY N 2.246 C A 0056 GLY O
C A 0058 MET N 3.050 C A 0056 GLY O
C A 0058 MET N 2.253 C A 0057 GLY O
C A 0059 CYS N 2.817 C A 0056 GLY O
C A 0059 CYS N 2.251 C A 0058 MET O
C A 0060 THR N 2.240 C A 0059 CYS O
C A 0061 ASP N 2.244 C A 0060 THR O
C A 0062 CYS N 2.245 C A 0061 ASP O
H A 0063 THR N 2.244 C A 0062 CYS O
H A 0064 ASP N 2.247 H A 0063 THR O
H A 0065 GLU N 3.039 H A 0063 THR O
H A 0065 GLU N 2.240 H A 0064 ASP O
H A 0066 ASP N 2.876 H A 0063 THR O
H A 0066 ASP N 2.245 H A 0065 GLU O
H A 0067 TYR N 2.874 H A 0063 THR O
H A 0067 TYR N 2.242 H A 0066 ASP O
H A 0068 LYS N 2.754 H A 0064 ASP O
H A 0068 LYS N 2.239 H A 0067 TYR O
H A 0069 ALA N 3.054 H A 0065 GLU O
H A 0069 ALA N 2.248 H A 0068 LYS O
H A 0070 ALA N 2.824 H A 0066 ASP O
H A 0070 ALA N 3.118 H A 0067 TYR O
H A 0070 ALA N 3.142 H A 0068 LYS O
H A 0070 ALA N 2.228 H A 0069 ALA O
H A 0071 ILE N 3.095 H A 0067 TYR O
H A 0071 ILE N 3.073 H A 0068 LYS O
H A 0071 ILE N 2.246 H A 0070 ALA O
H A 0072 GLU N 2.737 H A 0068 LYS O
H A 0072 GLU N 2.234 H A 0071 ILE O
H A 0073 PHE N 2.775 H A 0069 ALA O
H A 0073 PHE N 2.247 H A 0072 GLU O
H A 0074 MET N 2.251 H A 0073 PHE O
H A 0075 SER N 3.137 H A 0072 GLU O
H A 0075 SER N 2.246 H A 0074 MET O
C A 0076 LYS N 2.246 H A 0075 SER O
C A 0077 ALA N 2.246 C A 0076 LYS O
C A 0078 LYS N 2.249 C A 0077 ALA O
HB_MS 2.00 3.20 14
H A 0003 ALA N 2.849 H A 0002 ASP OD1
H A 0004 GLU N 2.665 H A 0002 ASP OD1
H A 0008 ASN O 3.038 C A 0012 THR OG1
C A 0023 PRO O 2.929 C A 0015 HIS ND1
C A 0023 PRO O 2.670 C A 0078 LYS NZ
C A 0024 LYS N 2.662 C A 0030 ASP OD2
C A 0024 LYS O 3.101 C A 0031 TRP NE1
C A 0024 LYS O 2.659 C A 0078 LYS NZ
C A 0026 HIS N 3.135 C A 0025 SER OG
H A 0041 ASN O 2.817 H A 0045 SER OG
H A 0044 LYS O 3.008 H A 0048 THR OG1
C A 0056 GLY O 2.699 H A 0067 TYR OH
C A 0057 GLY N 3.187 H A 0067 TYR OH
C A 0076 LYS N 2.774 H A 0075 SER OG
HB_SS 2.00 3.20 5
C A -002 ASP OD1 2.654 C A 0001 GLN NE2
H A 0004 GLU OE2 2.613 H A 0007 TYR OH
C A 0030 ASP OD2 2.709 C A 0027 ASN ND2
C A 0061 ASP OD1 2.656 C A 0060 THR OG1
H A 0065 GLU OE2 2.633 H A 0063 THR OG1
AROMATIC 0.00 8.00 2
C A 0078 LYS 4.101 C A 0031 TRP
C A 0078 LYS 4.698 C A 0015 HIS
SS_BOND 1.50 2.80 1
C A 0059 CYS SG 2.097 C A 0062 CYS SG