Complet list of 1pij con file
Complete list of 1pij.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 361
C A 0001 ALA C 2.445 C A 0002 SER CA
C A 0001 ALA C 3.162 C A 0002 SER C
C A 0001 ALA C 3.677 C A 0002 SER CB
C A 0001 ALA CA 3.670 C A 0003 GLU CD
C A 0001 ALA C 3.451 C A 0003 GLU CD
C A 0002 SER C 2.440 C A 0003 GLU CA
C A 0002 SER C 3.024 C A 0003 GLU C
C A 0002 SER C 3.730 C A 0003 GLU CB
C A 0003 GLU CA 2.943 C A 0004 PRO CD
C A 0003 GLU C 2.458 C A 0004 PRO CA
C A 0003 GLU C 3.128 C A 0004 PRO C
C A 0003 GLU C 3.665 C A 0004 PRO CB
C A 0003 GLU C 3.688 C A 0004 PRO CG
C A 0003 GLU C 2.495 C A 0004 PRO CD
C A 0003 GLU CB 3.755 C A 0004 PRO CD
C A 0004 PRO C 2.468 C A 0005 ARG CA
C A 0004 PRO C 3.048 C A 0005 ARG C
C A 0004 PRO C 3.677 C A 0005 ARG CB
C A 0005 ARG C 2.474 C A 0006 ALA CA
C A 0005 ARG C 3.065 C A 0006 ALA C
C A 0005 ARG C 3.719 C A 0006 ALA CB
C A 0005 ARG CB 3.798 E A 0047 TRP CE3
C A 0005 ARG CB 3.561 E A 0047 TRP CZ3
C A 0005 ARG CB 3.635 E A 0047 TRP CH2
C A 0005 ARG CG 3.628 E A 0047 TRP CD2
C A 0005 ARG CG 3.633 E A 0047 TRP CE2
C A 0005 ARG CG 3.748 E A 0047 TRP CE3
C A 0005 ARG CD 3.737 E A 0047 TRP CE2
C A 0005 ARG CZ 3.799 E A 0047 TRP CD1
C A 0006 ALA C 2.448 C A 0007 GLU CA
C A 0006 ALA C 3.113 C A 0007 GLU C
C A 0006 ALA C 3.702 C A 0007 GLU CB
C A 0006 ALA CB 3.610 C A 0014 TYR CE2
C A 0006 ALA CA 3.753 C A 0058 VAL CB
C A 0006 ALA CB 3.480 C A 0058 VAL CG2
C A 0007 GLU CA 3.784 C A 0008 ASP CA
C A 0007 GLU C 2.425 C A 0008 ASP CA
C A 0007 GLU C 2.910 C A 0008 ASP C
C A 0007 GLU C 3.683 C A 0008 ASP CB
C A 0008 ASP C 2.448 C A 0009 GLY CA
C A 0008 ASP C 3.159 C A 0009 GLY C
C A 0008 ASP CG 3.777 C A 0016 ASN CB
C A 0009 GLY C 2.470 C A 0010 HIS CA
C A 0009 GLY C 2.920 C A 0010 HIS C
C A 0009 GLY C 3.729 C A 0010 HIS CB
C A 0010 HIS C 2.471 C A 0011 ALA CA
C A 0010 HIS C 3.666 C A 0011 ALA C
C A 0010 HIS C 3.185 C A 0011 ALA CB
C A 0010 HIS CG 3.652 C A 0058 VAL CG2
C A 0010 HIS CD2 3.597 C A 0058 VAL CG2
C A 0010 HIS CE1 3.447 C A 0058 VAL CG1
C A 0010 HIS CE1 3.766 C A 0058 VAL CG2
C A 0011 ALA C 2.470 C A 0012 HIS CA
C A 0011 ALA C 3.049 C A 0012 HIS C
C A 0011 ALA C 3.087 C A 0012 HIS CB
C A 0011 ALA C 3.558 C A 0012 HIS CG
C A 0011 ALA C 3.717 C A 0012 HIS CD2
C A 0011 ALA CB 3.403 C A 0012 HIS CD2
C A 0012 HIS C 2.470 C A 0013 ASP CA
C A 0012 HIS C 3.031 C A 0013 ASP C
C A 0012 HIS C 3.166 C A 0013 ASP CB
C A 0012 HIS C 3.477 C A 0013 ASP CG
C A 0012 HIS CE1 3.232 H A 0054 ASP CG
C A 0012 HIS CB 3.632 H A 0055 PHE CE2
C A 0012 HIS CG 3.534 H A 0055 PHE CE2
C A 0012 HIS CD2 3.377 H A 0055 PHE CD2
C A 0012 HIS CD2 3.027 H A 0055 PHE CE2
C A 0012 HIS CD2 3.537 H A 0055 PHE CZ
C A 0012 HIS CG 3.670 C A 0068 VAL CG1
C A 0012 HIS CE1 3.658 C A 0068 VAL CG1
C A 0013 ASP C 2.438 C A 0014 TYR CA
C A 0013 ASP C 3.049 C A 0014 TYR C
C A 0013 ASP C 3.707 C A 0014 TYR CB
C A 0013 ASP CB 3.632 H A 0024 HIS CD2
C A 0014 TYR C 2.470 C A 0015 VAL CA
C A 0014 TYR C 3.547 C A 0015 VAL C
C A 0014 TYR C 3.451 C A 0015 VAL CB
C A 0014 TYR C 3.460 C A 0015 VAL CG1
C A 0014 TYR CD2 3.758 C A 0015 VAL C
C A 0014 TYR CE2 3.594 C A 0015 VAL C
C A 0014 TYR CZ 3.775 C A 0015 VAL C
C A 0014 TYR CE2 3.693 C A 0016 ASN CG
C A 0014 TYR CE1 3.774 E A 0060 VAL CB
C A 0015 VAL C 2.464 C A 0016 ASN CA
C A 0015 VAL C 3.160 C A 0016 ASN C
C A 0015 VAL C 3.727 C A 0016 ASN CB
C A 0015 VAL CG2 3.677 H A 0017 GLU C
C A 0015 VAL CG2 3.509 H A 0021 ALA CB
C A 0016 ASN C 2.454 H A 0017 GLU CA
C A 0016 ASN C 3.342 H A 0017 GLU C
C A 0016 ASN C 3.571 H A 0017 GLU CB
C A 0016 ASN CG 3.717 E A 0047 TRP CH2
C A 0016 ASN C 3.655 C A 0064 GLY CA
H A 0017 GLU C 2.468 H A 0018 ALA CA
H A 0017 GLU C 2.918 H A 0018 ALA C
H A 0017 GLU C 3.695 H A 0018 ALA CB
H A 0018 ALA C 2.456 H A 0019 ALA CA
H A 0018 ALA C 3.027 H A 0019 ALA C
H A 0018 ALA C 3.725 H A 0019 ALA CB
H A 0018 ALA C 3.731 C A 0027 TYR CE1
H A 0018 ALA CB 3.765 C A 0027 TYR CE1
H A 0018 ALA CB 3.680 H A 0032 LEU CD1
H A 0019 ALA C 2.454 H A 0020 ASP CA
H A 0019 ALA C 2.911 H A 0020 ASP C
H A 0019 ALA C 3.734 H A 0020 ASP CB
H A 0020 ASP CA 3.798 H A 0021 ALA CA
H A 0020 ASP C 2.443 H A 0021 ALA CA
H A 0020 ASP C 3.176 H A 0021 ALA C
H A 0020 ASP C 3.693 H A 0021 ALA CB
H A 0021 ALA C 2.452 H A 0022 SER CA
H A 0021 ALA C 3.029 H A 0022 SER C
H A 0021 ALA C 3.707 H A 0022 SER CB
H A 0021 ALA C 3.686 C A 0027 TYR CB
H A 0021 ALA C 3.637 C A 0027 TYR CG
H A 0021 ALA CB 3.673 C A 0027 TYR CD1
H A 0021 ALA CB 3.754 C A 0065 TRP CE3
H A 0022 SER C 2.464 H A 0023 GLY CA
H A 0022 SER C 3.095 H A 0023 GLY C
H A 0023 GLY C 2.486 H A 0024 HIS CA
H A 0023 GLY C 3.199 H A 0024 HIS C
H A 0023 GLY C 3.693 H A 0024 HIS CB
H A 0024 HIS CA 3.017 C A 0025 PRO CD
H A 0024 HIS C 2.466 C A 0025 PRO CA
H A 0024 HIS C 3.023 C A 0025 PRO C
H A 0024 HIS C 3.676 C A 0025 PRO CB
H A 0024 HIS C 3.672 C A 0025 PRO CG
H A 0024 HIS C 2.503 C A 0025 PRO CD
H A 0024 HIS CE1 3.758 C A 0065 TRP CH2
C A 0025 PRO C 2.456 C A 0026 ARG CA
C A 0025 PRO C 3.168 C A 0026 ARG C
C A 0025 PRO C 3.721 C A 0026 ARG CB
C A 0026 ARG C 2.432 C A 0027 TYR CA
C A 0026 ARG C 3.057 C A 0027 TYR C
C A 0026 ARG C 3.721 C A 0027 TYR CB
C A 0026 ARG C 3.595 C A 0065 TRP CZ2
C A 0027 TYR CA 3.798 C A 0028 GLN CA
C A 0027 TYR C 2.438 C A 0028 GLN CA
C A 0027 TYR C 3.065 C A 0028 GLN C
C A 0027 TYR C 3.704 C A 0028 GLN CB
C A 0027 TYR CA 3.628 C A 0065 TRP CZ2
C A 0027 TYR CD1 3.544 C A 0065 TRP CG
C A 0027 TYR CD1 3.466 C A 0065 TRP CD2
C A 0027 TYR CD1 3.728 C A 0065 TRP CE2
C A 0027 TYR CE1 3.574 C A 0065 TRP CG
C A 0027 TYR CE1 3.698 C A 0065 TRP CD1
C A 0028 GLN C 2.465 C A 0029 GLU CA
C A 0028 GLN C 3.017 C A 0029 GLU C
C A 0028 GLN C 3.714 C A 0029 GLU CB
C A 0028 GLN CB 3.424 C A 0031 GLN CD
C A 0029 GLU CA 3.798 C A 0030 GLY CA
C A 0029 GLU C 2.449 C A 0030 GLY CA
C A 0029 GLU C 3.168 C A 0030 GLY C
C A 0030 GLY C 2.412 C A 0031 GLN CA
C A 0030 GLY C 2.948 C A 0031 GLN C
C A 0030 GLY C 3.694 C A 0031 GLN CB
C A 0031 GLN C 2.478 H A 0032 LEU CA
C A 0031 GLN C 3.501 H A 0032 LEU C
C A 0031 GLN C 3.502 H A 0032 LEU CB
C A 0031 GLN C 3.631 H A 0032 LEU CD1
C A 0031 GLN CB 3.489 C A 0065 TRP CD1
C A 0031 GLN CB 3.739 C A 0069 TYR CE2
C A 0031 GLN CB 3.716 C A 0069 TYR CZ
C A 0031 GLN CG 3.548 C A 0069 TYR CE1
C A 0031 GLN CG 3.659 C A 0069 TYR CZ
C A 0031 GLN CD 3.450 C A 0069 TYR CD1
C A 0031 GLN CD 3.349 C A 0069 TYR CE1
H A 0032 LEU C 2.461 H A 0033 CYS CA
H A 0032 LEU C 2.913 H A 0033 CYS C
H A 0032 LEU C 3.708 H A 0033 CYS CB
H A 0032 LEU CD2 3.714 C A 0063 GLU CA
H A 0033 CYS C 2.443 H A 0034 GLU CA
H A 0033 CYS C 2.995 H A 0034 GLU C
H A 0033 CYS C 3.735 H A 0034 GLU CB
H A 0033 CYS C 3.479 E A 0039 TRP CE3
H A 0033 CYS CB 3.742 E A 0039 TRP CZ3
H A 0034 GLU C 2.489 H A 0035 ASN CA
H A 0034 GLU C 3.488 H A 0035 ASN C
H A 0034 GLU C 3.565 H A 0035 ASN CB
H A 0034 GLU CA 3.787 E A 0039 TRP CD2
H A 0035 ASN C 2.467 C A 0036 CYS CA
H A 0035 ASN C 3.250 C A 0036 CYS C
H A 0035 ASN C 3.605 C A 0036 CYS CB
C A 0036 CYS C 2.447 C A 0037 ALA CA
C A 0036 CYS C 3.052 C A 0037 ALA C
C A 0036 CYS C 3.711 C A 0037 ALA CB
C A 0036 CYS CA 3.499 C A 0069 TYR CE2
C A 0036 CYS CB 3.682 C A 0069 TYR CD2
C A 0036 CYS CB 3.686 C A 0069 TYR CE2
C A 0037 ALA C 2.462 C A 0038 PHE CA
C A 0037 ALA C 3.394 C A 0038 PHE C
C A 0037 ALA C 3.577 C A 0038 PHE CB
C A 0037 ALA C 3.716 C A 0038 PHE CG
C A 0037 ALA C 3.618 C A 0038 PHE CD1
C A 0038 PHE C 2.437 E A 0039 TRP CA
C A 0038 PHE C 2.975 E A 0039 TRP C
C A 0038 PHE C 3.709 E A 0039 TRP CB
C A 0038 PHE CG 3.289 H A 0052 HIS CE1
C A 0038 PHE CD1 3.180 H A 0052 HIS CE1
C A 0038 PHE CD2 3.758 H A 0052 HIS CD2
C A 0038 PHE CE1 3.567 H A 0052 HIS CE1
C A 0038 PHE CE2 3.582 C A 0070 ALA CB
C A 0038 PHE CZ 3.771 C A 0070 ALA CB
E A 0039 TRP C 2.447 E A 0040 GLY CA
E A 0039 TRP C 3.222 E A 0040 GLY C
E A 0039 TRP CD1 3.666 E A 0040 GLY C
E A 0039 TRP CZ2 3.630 E A 0041 GLU C
E A 0039 TRP CH2 3.311 E A 0048 GLY CA
E A 0039 TRP CH2 3.660 E A 0048 GLY C
E A 0039 TRP CH2 3.556 C A 0062 ALA CA
E A 0039 TRP CH2 3.501 C A 0062 ALA CB
E A 0040 GLY C 2.468 E A 0041 GLU CA
E A 0040 GLY C 3.594 E A 0041 GLU C
E A 0040 GLY C 3.361 E A 0041 GLU CB
E A 0040 GLY C 3.378 E A 0041 GLU CG
E A 0040 GLY CA 3.487 C A 0051 THR CG2
E A 0041 GLU CA 3.797 E A 0042 ALA CA
E A 0041 GLU C 2.444 E A 0042 ALA CA
E A 0041 GLU C 3.062 E A 0042 ALA C
E A 0041 GLU C 3.715 E A 0042 ALA CB
E A 0042 ALA C 2.463 E A 0043 VAL CA
E A 0042 ALA C 3.441 E A 0043 VAL C
E A 0042 ALA C 3.508 E A 0043 VAL CB
E A 0042 ALA C 3.605 E A 0043 VAL CG2
E A 0042 ALA CA 3.749 E A 0048 GLY CA
E A 0043 VAL C 2.461 E A 0044 GLN CA
E A 0043 VAL C 3.721 E A 0044 GLN C
E A 0043 VAL C 3.146 E A 0044 GLN CB
E A 0043 VAL CG2 3.526 E A 0049 ARG CG
E A 0043 VAL CG2 3.503 C A 0059 LEU CD1
E A 0044 GLN C 2.521 C A 0045 ASP CA
E A 0044 GLN C 3.047 C A 0045 ASP C
E A 0044 GLN C 3.456 C A 0045 ASP CB
E A 0044 GLN C 3.578 C A 0045 ASP CG
C A 0045 ASP C 2.465 C A 0046 GLY CA
C A 0045 ASP C 3.217 C A 0046 GLY C
C A 0045 ASP C 3.732 E A 0047 TRP CD1
C A 0045 ASP CG 3.794 E A 0047 TRP CD1
C A 0046 GLY C 2.484 E A 0047 TRP CA
C A 0046 GLY C 3.489 E A 0047 TRP C
C A 0046 GLY C 3.528 E A 0047 TRP CB
C A 0046 GLY C 3.688 E A 0047 TRP CG
C A 0046 GLY C 3.753 E A 0047 TRP CD1
E A 0047 TRP CA 3.798 E A 0048 GLY CA
E A 0047 TRP C 2.449 E A 0048 GLY CA
E A 0047 TRP C 3.680 E A 0048 GLY C
E A 0047 TRP CB 3.635 C A 0059 LEU CD2
E A 0047 TRP CE3 3.351 E A 0060 VAL C
E A 0047 TRP CE3 3.460 E A 0061 LYS CA
E A 0047 TRP CZ2 3.586 E A 0061 LYS CD
E A 0047 TRP CZ3 3.710 E A 0061 LYS CB
E A 0047 TRP CH2 3.751 E A 0061 LYS CD
E A 0048 GLY CA 3.779 E A 0049 ARG CA
E A 0048 GLY C 2.434 E A 0049 ARG CA
E A 0048 GLY C 3.280 E A 0049 ARG C
E A 0048 GLY C 3.582 E A 0049 ARG CB
E A 0048 GLY C 3.783 E A 0049 ARG CG
E A 0048 GLY CA 3.693 C A 0059 LEU CD1
E A 0048 GLY C 3.269 C A 0059 LEU CD1
E A 0049 ARG C 2.489 E A 0050 CYS CA
E A 0049 ARG C 3.479 E A 0050 CYS C
E A 0049 ARG C 3.502 E A 0050 CYS CB
E A 0049 ARG CZ 3.763 H A 0056 ASP CG
E A 0049 ARG CG 3.557 C A 0059 LEU CD1
E A 0050 CYS C 2.457 C A 0051 THR CA
E A 0050 CYS C 3.248 C A 0051 THR C
E A 0050 CYS C 3.672 C A 0051 THR CB
E A 0050 CYS CB 3.684 E A 0060 VAL CG2
C A 0051 THR C 2.470 H A 0052 HIS CA
C A 0051 THR C 3.579 H A 0052 HIS C
C A 0051 THR C 3.413 H A 0052 HIS CB
C A 0051 THR C 3.637 H A 0052 HIS CG
H A 0052 HIS CA 2.986 H A 0053 PRO CD
H A 0052 HIS C 2.476 H A 0053 PRO CA
H A 0052 HIS C 3.003 H A 0053 PRO C
H A 0052 HIS C 3.694 H A 0053 PRO CB
H A 0052 HIS C 3.697 H A 0053 PRO CG
H A 0052 HIS C 2.516 H A 0053 PRO CD
H A 0052 HIS CB 3.717 H A 0053 PRO CD
H A 0053 PRO C 2.483 H A 0054 ASP CA
H A 0053 PRO C 3.201 H A 0054 ASP C
H A 0053 PRO C 3.722 H A 0054 ASP CB
H A 0054 ASP C 2.456 H A 0055 PHE CA
H A 0054 ASP C 3.690 H A 0055 PHE C
H A 0054 ASP C 3.163 H A 0055 PHE CB
H A 0055 PHE C 2.477 H A 0056 ASP CA
H A 0055 PHE C 3.040 H A 0056 ASP C
H A 0055 PHE C 3.743 H A 0056 ASP CB
H A 0055 PHE CD1 3.783 E A 0060 VAL CG1
H A 0055 PHE CE2 3.729 C A 0066 CYS CB
H A 0055 PHE CZ 3.352 C A 0066 CYS CB
H A 0056 ASP C 2.507 H A 0057 GLU CA
H A 0056 ASP C 2.938 H A 0057 GLU C
H A 0056 ASP C 3.697 H A 0057 GLU CB
H A 0057 GLU C 2.471 C A 0058 VAL CA
H A 0057 GLU C 3.496 C A 0058 VAL C
H A 0057 GLU C 3.500 C A 0058 VAL CB
H A 0057 GLU C 3.674 C A 0058 VAL CG1
C A 0058 VAL CA 3.792 C A 0059 LEU CA
C A 0058 VAL C 2.433 C A 0059 LEU CA
C A 0058 VAL C 3.145 C A 0059 LEU C
C A 0058 VAL C 3.620 C A 0059 LEU CB
C A 0059 LEU C 2.437 E A 0060 VAL CA
C A 0059 LEU C 3.265 E A 0060 VAL C
C A 0059 LEU C 3.638 E A 0060 VAL CB
E A 0060 VAL CA 3.799 E A 0061 LYS CA
E A 0060 VAL C 2.419 E A 0061 LYS CA
E A 0060 VAL C 2.966 E A 0061 LYS C
E A 0060 VAL C 3.688 E A 0061 LYS CB
E A 0061 LYS C 2.445 C A 0062 ALA CA
E A 0061 LYS C 2.982 C A 0062 ALA C
E A 0061 LYS C 3.705 C A 0062 ALA CB
C A 0062 ALA C 2.467 C A 0063 GLU CA
C A 0062 ALA C 3.269 C A 0063 GLU C
C A 0062 ALA C 3.682 C A 0063 GLU CB
C A 0063 GLU C 2.451 C A 0064 GLY CA
C A 0063 GLU C 3.183 C A 0064 GLY C
C A 0064 GLY C 2.458 C A 0065 TRP CA
C A 0064 GLY C 3.669 C A 0065 TRP C
C A 0064 GLY C 3.174 C A 0065 TRP CB
C A 0065 TRP C 2.462 C A 0066 CYS CA
C A 0065 TRP C 3.692 C A 0066 CYS C
C A 0065 TRP C 3.248 C A 0066 CYS CB
C A 0065 TRP CD2 3.691 C A 0066 CYS CA
C A 0065 TRP CD2 3.534 C A 0066 CYS C
C A 0065 TRP CE3 3.404 C A 0066 CYS CA
C A 0065 TRP CE3 3.292 C A 0066 CYS C
C A 0065 TRP CZ3 3.343 C A 0066 CYS C
C A 0065 TRP CH2 3.714 C A 0066 CYS C
C A 0065 TRP CH2 3.725 C A 0067 SER CA
C A 0065 TRP CD1 3.611 C A 0069 TYR CD2
C A 0066 CYS C 2.450 C A 0067 SER CA
C A 0066 CYS C 3.073 C A 0067 SER C
C A 0066 CYS C 3.724 C A 0067 SER CB
C A 0067 SER C 2.445 C A 0068 VAL CA
C A 0067 SER C 3.143 C A 0068 VAL C
C A 0067 SER C 3.764 C A 0068 VAL CB
C A 0068 VAL C 2.465 C A 0069 TYR CA
C A 0068 VAL C 2.923 C A 0069 TYR C
C A 0068 VAL C 3.739 C A 0069 TYR CB
C A 0069 TYR C 2.459 C A 0070 ALA CA
C A 0069 TYR C 3.504 C A 0070 ALA C
C A 0069 TYR C 3.439 C A 0070 ALA CB
C A 0069 TYR CD1 3.780 C A 0070 ALA CA
C A 0069 TYR CD1 3.624 C A 0070 ALA C
C A 0069 TYR CE1 3.473 C A 0070 ALA C
C A 0069 TYR CE1 3.580 C A 0071 PRO CA
C A 0070 ALA CA 2.974 C A 0071 PRO CD
C A 0070 ALA C 2.438 C A 0071 PRO CA
C A 0070 ALA C 3.047 C A 0071 PRO C
C A 0070 ALA C 3.660 C A 0071 PRO CB
C A 0070 ALA C 3.679 C A 0071 PRO CG
C A 0070 ALA C 2.504 C A 0071 PRO CD
C A 0070 ALA CB 3.788 C A 0071 PRO CD
C A 0071 PRO CA 3.777 C A 0072 ALA CA
C A 0071 PRO C 2.431 C A 0072 ALA CA
C A 0071 PRO C 3.152 C A 0072 ALA C
C A 0071 PRO C 3.640 C A 0072 ALA CB
C A 0072 ALA CA 3.785 C A 0073 SER CA
C A 0072 ALA C 2.457 C A 0073 SER CA
C A 0072 ALA C 3.644 C A 0073 SER C
C A 0072 ALA C 3.256 C A 0073 SER CB
CHARGE_ATTR 2.00 12.00 89
C A 0003 GLU OE1 11.50 C A 0010 HIS NE2
C A 0003 GLU OE2 11.82 C A 0010 HIS ND1
C A 0003 GLU OE2 11.31 C A 0010 HIS NE2
C A 0003 GLU OE1 2.632 E A 0049 ARG NH1
C A 0003 GLU OE1 2.623 E A 0049 ARG NH2
C A 0003 GLU OE2 4.797 E A 0049 ARG NH1
C A 0003 GLU OE2 4.443 E A 0049 ARG NH2
C A 0007 GLU OE1 2.584 C A 0010 HIS ND1
C A 0007 GLU OE1 4.730 C A 0010 HIS NE2
C A 0007 GLU OE2 3.661 C A 0010 HIS ND1
C A 0007 GLU OE2 5.686 C A 0010 HIS NE2
C A 0007 GLU OE1 11.05 C A 0012 HIS NE2
C A 0008 ASP OD1 11.37 C A 0005 ARG NH1
C A 0008 ASP OD1 9.987 C A 0010 HIS ND1
C A 0008 ASP OD1 11.74 C A 0010 HIS NE2
C A 0008 ASP OD2 10.61 C A 0010 HIS ND1
C A 0008 ASP OD1 9.164 E A 0061 LYS NZ
C A 0008 ASP OD2 9.229 E A 0061 LYS NZ
C A 0013 ASP OD1 7.418 C A 0012 HIS ND1
C A 0013 ASP OD1 9.038 C A 0012 HIS NE2
C A 0013 ASP OD2 7.579 C A 0012 HIS ND1
C A 0013 ASP OD2 9.421 C A 0012 HIS NE2
C A 0013 ASP OD1 6.765 H A 0024 HIS ND1
C A 0013 ASP OD1 4.581 H A 0024 HIS NE2
C A 0013 ASP OD2 4.795 H A 0024 HIS ND1
C A 0013 ASP OD2 2.636 H A 0024 HIS NE2
C A 0013 ASP OD2 11.52 C A 0026 ARG NH1
H A 0017 GLU OE1 6.963 E A 0061 LYS NZ
H A 0017 GLU OE2 8.810 E A 0061 LYS NZ
H A 0020 ASP OD1 11.92 H A 0024 HIS ND1
H A 0020 ASP OD1 11.79 H A 0024 HIS NE2
H A 0020 ASP OD2 9.886 H A 0024 HIS ND1
H A 0020 ASP OD2 9.618 H A 0024 HIS NE2
C A 0029 GLU OE2 10.68 C A 0026 ARG NH2
H A 0034 GLU OE1 10.52 E A 0061 LYS NZ
H A 0034 GLU OE2 10.12 E A 0061 LYS NZ
E A 0041 GLU OE1 10.76 E A 0049 ARG NH1
E A 0041 GLU OE1 11.99 E A 0049 ARG NH2
E A 0041 GLU OE2 10.76 E A 0049 ARG NH1
E A 0041 GLU OE2 11.61 E A 0049 ARG NH2
C A 0045 ASP OD1 3.853 C A 0005 ARG NH1
C A 0045 ASP OD1 2.672 C A 0005 ARG NH2
C A 0045 ASP OD2 2.607 C A 0005 ARG NH1
C A 0045 ASP OD2 3.027 C A 0005 ARG NH2
C A 0045 ASP OD1 9.140 E A 0061 LYS NZ
C A 0045 ASP OD2 7.332 E A 0061 LYS NZ
H A 0054 ASP OD1 9.919 C A 0010 HIS ND1
H A 0054 ASP OD1 7.932 C A 0010 HIS NE2
H A 0054 ASP OD2 10.83 C A 0010 HIS ND1
H A 0054 ASP OD2 8.824 C A 0010 HIS NE2
H A 0054 ASP OD1 4.345 C A 0012 HIS ND1
H A 0054 ASP OD1 2.626 C A 0012 HIS NE2
H A 0054 ASP OD2 4.490 C A 0012 HIS ND1
H A 0054 ASP OD2 3.455 C A 0012 HIS NE2
H A 0054 ASP OD1 6.542 H A 0052 HIS ND1
H A 0054 ASP OD1 6.710 H A 0052 HIS NE2
H A 0054 ASP OD2 8.037 H A 0052 HIS ND1
H A 0054 ASP OD2 8.015 H A 0052 HIS NE2
H A 0056 ASP OD1 11.68 C A 0010 HIS ND1
H A 0056 ASP OD1 10.48 C A 0010 HIS NE2
H A 0056 ASP OD2 11.68 C A 0010 HIS ND1
H A 0056 ASP OD2 10.32 C A 0010 HIS NE2
H A 0056 ASP OD1 11.56 C A 0012 HIS NE2
H A 0056 ASP OD2 11.84 C A 0012 HIS NE2
H A 0056 ASP OD1 4.463 E A 0049 ARG NH1
H A 0056 ASP OD1 3.054 E A 0049 ARG NH2
H A 0056 ASP OD2 4.838 E A 0049 ARG NH1
H A 0056 ASP OD2 2.658 E A 0049 ARG NH2
H A 0056 ASP OD1 8.962 H A 0052 HIS ND1
H A 0056 ASP OD1 10.78 H A 0052 HIS NE2
H A 0056 ASP OD2 9.708 H A 0052 HIS ND1
H A 0056 ASP OD2 11.65 H A 0052 HIS NE2
H A 0057 GLU OE1 4.767 C A 0010 HIS ND1
H A 0057 GLU OE1 2.640 C A 0010 HIS NE2
H A 0057 GLU OE2 6.543 C A 0010 HIS ND1
H A 0057 GLU OE2 4.615 C A 0010 HIS NE2
H A 0057 GLU OE1 8.369 C A 0012 HIS ND1
H A 0057 GLU OE1 6.433 C A 0012 HIS NE2
H A 0057 GLU OE2 9.491 C A 0012 HIS ND1
H A 0057 GLU OE2 7.573 C A 0012 HIS NE2
H A 0057 GLU OE1 11.92 E A 0049 ARG NH1
H A 0057 GLU OE1 10.37 E A 0049 ARG NH2
H A 0057 GLU OE2 10.80 E A 0049 ARG NH2
H A 0057 GLU OE1 11.51 H A 0052 HIS ND1
C A 0063 GLU OE1 9.017 C A 0005 ARG NH1
C A 0063 GLU OE1 10.26 C A 0005 ARG NH2
C A 0063 GLU OE2 10.72 C A 0005 ARG NH1
C A 0063 GLU OE1 2.574 E A 0061 LYS NZ
C A 0063 GLU OE2 3.781 E A 0061 LYS NZ
CHARGE_REPU 2.00 12.00 83
C A 0003 GLU OE1 5.568 H A 0056 ASP OD1
C A 0003 GLU OE1 4.914 H A 0056 ASP OD2
C A 0003 GLU OE2 7.240 H A 0056 ASP OD1
C A 0003 GLU OE2 6.125 H A 0056 ASP OD2
C A 0003 GLU OE1 11.00 H A 0057 GLU OE1
C A 0003 GLU OE1 11.34 H A 0057 GLU OE2
C A 0003 GLU OE2 10.77 H A 0057 GLU OE1
C A 0003 GLU OE2 10.83 H A 0057 GLU OE2
C A 0005 ARG NH2 11.65 E A 0049 ARG NH1
C A 0005 ARG NH1 7.693 E A 0061 LYS NZ
C A 0005 ARG NH2 9.382 E A 0061 LYS NZ
C A 0007 GLU OE1 8.160 C A 0008 ASP OD1
C A 0007 GLU OE1 9.218 C A 0008 ASP OD2
C A 0007 GLU OE2 9.281 C A 0008 ASP OD1
C A 0007 GLU OE2 10.55 C A 0008 ASP OD2
C A 0007 GLU OE1 7.258 H A 0057 GLU OE1
C A 0007 GLU OE1 8.952 H A 0057 GLU OE2
C A 0007 GLU OE2 7.982 H A 0057 GLU OE1
C A 0007 GLU OE2 9.279 H A 0057 GLU OE2
C A 0008 ASP OD2 11.58 C A 0013 ASP OD1
C A 0008 ASP OD1 8.846 H A 0017 GLU OE1
C A 0008 ASP OD1 9.924 H A 0017 GLU OE2
C A 0008 ASP OD2 8.011 H A 0017 GLU OE1
C A 0008 ASP OD2 8.677 H A 0017 GLU OE2
C A 0008 ASP OD1 7.311 H A 0020 ASP OD1
C A 0008 ASP OD1 7.371 H A 0020 ASP OD2
C A 0008 ASP OD2 5.744 H A 0020 ASP OD1
C A 0008 ASP OD2 5.463 H A 0020 ASP OD2
C A 0008 ASP OD1 11.18 C A 0063 GLU OE1
C A 0008 ASP OD2 10.92 C A 0063 GLU OE1
C A 0008 ASP OD2 11.85 C A 0063 GLU OE2
C A 0010 HIS ND1 10.17 C A 0012 HIS ND1
C A 0010 HIS ND1 8.805 C A 0012 HIS NE2
C A 0010 HIS NE2 8.758 C A 0012 HIS ND1
C A 0010 HIS NE2 7.137 C A 0012 HIS NE2
C A 0010 HIS NE2 11.15 E A 0049 ARG NH2
C A 0012 HIS ND1 11.13 H A 0024 HIS ND1
C A 0012 HIS ND1 9.496 H A 0024 HIS NE2
C A 0012 HIS NE2 11.28 H A 0024 HIS NE2
C A 0012 HIS ND1 9.233 H A 0052 HIS ND1
C A 0012 HIS ND1 8.398 H A 0052 HIS NE2
C A 0012 HIS NE2 8.263 H A 0052 HIS ND1
C A 0012 HIS NE2 7.941 H A 0052 HIS NE2
C A 0013 ASP OD1 10.28 H A 0020 ASP OD2
C A 0013 ASP OD2 10.47 H A 0020 ASP OD2
C A 0013 ASP OD1 11.60 H A 0054 ASP OD1
C A 0013 ASP OD1 11.56 H A 0054 ASP OD2
C A 0013 ASP OD2 11.86 H A 0054 ASP OD1
C A 0013 ASP OD2 11.94 H A 0054 ASP OD2
H A 0017 GLU OE1 6.964 H A 0020 ASP OD1
H A 0017 GLU OE1 8.409 H A 0020 ASP OD2
H A 0017 GLU OE2 6.251 H A 0020 ASP OD1
H A 0017 GLU OE2 7.638 H A 0020 ASP OD2
H A 0017 GLU OE1 8.187 C A 0063 GLU OE1
H A 0017 GLU OE1 7.477 C A 0063 GLU OE2
H A 0017 GLU OE2 9.662 C A 0063 GLU OE1
H A 0017 GLU OE2 8.784 C A 0063 GLU OE2
H A 0024 HIS ND1 8.377 C A 0026 ARG NH1
H A 0024 HIS ND1 8.341 C A 0026 ARG NH2
H A 0024 HIS NE2 9.838 C A 0026 ARG NH1
H A 0024 HIS NE2 10.15 C A 0026 ARG NH2
H A 0034 GLU OE1 8.002 C A 0063 GLU OE1
H A 0034 GLU OE1 8.106 C A 0063 GLU OE2
H A 0034 GLU OE2 7.694 C A 0063 GLU OE1
H A 0034 GLU OE2 7.406 C A 0063 GLU OE2
E A 0041 GLU OE1 11.56 H A 0056 ASP OD1
E A 0041 GLU OE2 10.90 H A 0056 ASP OD1
C A 0045 ASP OD1 9.467 C A 0063 GLU OE1
C A 0045 ASP OD1 11.10 C A 0063 GLU OE2
C A 0045 ASP OD2 8.045 C A 0063 GLU OE1
C A 0045 ASP OD2 9.593 C A 0063 GLU OE2
E A 0049 ARG NH2 11.90 H A 0052 HIS ND1
H A 0054 ASP OD1 10.24 H A 0056 ASP OD1
H A 0054 ASP OD1 10.28 H A 0056 ASP OD2
H A 0054 ASP OD2 11.93 H A 0056 ASP OD2
H A 0054 ASP OD1 6.412 H A 0057 GLU OE1
H A 0054 ASP OD1 7.010 H A 0057 GLU OE2
H A 0054 ASP OD2 7.138 H A 0057 GLU OE1
H A 0054 ASP OD2 7.256 H A 0057 GLU OE2
H A 0056 ASP OD1 9.577 H A 0057 GLU OE1
H A 0056 ASP OD1 10.27 H A 0057 GLU OE2
H A 0056 ASP OD2 9.038 H A 0057 GLU OE1
H A 0056 ASP OD2 9.278 H A 0057 GLU OE2
HB_MM 2.00 3.20 129
C A 0002 SER N 2.260 C A 0001 ALA O
C A 0003 GLU N 2.930 C A 0001 ALA O
C A 0003 GLU N 2.250 C A 0002 SER O
C A 0004 PRO N 2.253 C A 0003 GLU O
C A 0005 ARG N 2.252 C A 0004 PRO O
C A 0006 ALA N 2.254 C A 0005 ARG O
C A 0006 ALA N 2.775 C A 0059 LEU O
C A 0007 GLU N 2.248 C A 0006 ALA O
C A 0008 ASP N 2.246 C A 0007 GLU O
C A 0009 GLY N 2.244 C A 0008 ASP O
C A 0009 GLY N 2.759 C A 0014 TYR O
C A 0010 HIS N 2.826 C A 0007 GLU O
C A 0010 HIS N 2.254 C A 0009 GLY O
C A 0011 ALA N 2.255 C A 0010 HIS O
C A 0012 HIS N 2.258 C A 0011 ALA O
C A 0013 ASP N 3.070 C A 0011 ALA O
C A 0013 ASP N 2.248 C A 0012 HIS O
C A 0014 TYR N 2.938 C A 0011 ALA O
C A 0014 TYR N 3.083 C A 0012 HIS O
C A 0014 TYR N 2.248 C A 0013 ASP O
C A 0015 VAL N 2.254 C A 0014 TYR O
C A 0015 VAL N 2.845 C A 0065 TRP O
C A 0016 ASN N 2.259 C A 0015 VAL O
H A 0017 GLU N 2.256 C A 0016 ASN O
H A 0018 ALA N 2.250 H A 0017 GLU O
H A 0018 ALA N 2.771 C A 0063 GLU O
H A 0019 ALA N 3.083 H A 0017 GLU O
H A 0019 ALA N 2.254 H A 0018 ALA O
H A 0020 ASP N 2.790 H A 0017 GLU O
H A 0020 ASP N 3.172 H A 0018 ALA O
H A 0020 ASP N 2.259 H A 0019 ALA O
H A 0021 ALA N 2.945 H A 0018 ALA O
H A 0021 ALA N 3.037 H A 0019 ALA O
H A 0021 ALA N 2.250 H A 0020 ASP O
H A 0022 SER N 2.903 H A 0019 ALA O
H A 0022 SER N 2.975 H A 0020 ASP O
H A 0022 SER N 2.232 H A 0021 ALA O
H A 0023 GLY N 3.022 H A 0021 ALA O
H A 0023 GLY N 2.242 H A 0022 SER O
H A 0024 HIS N 2.738 H A 0021 ALA O
H A 0024 HIS N 2.243 H A 0023 GLY O
C A 0025 PRO N 2.231 H A 0024 HIS O
C A 0026 ARG N 3.121 H A 0024 HIS O
C A 0026 ARG N 2.239 C A 0025 PRO O
C A 0027 TYR N 2.805 H A 0024 HIS O
C A 0027 TYR N 2.247 C A 0026 ARG O
C A 0028 GLN N 2.823 C A 0026 ARG O
C A 0028 GLN N 2.239 C A 0027 TYR O
C A 0029 GLU N 2.259 C A 0028 GLN O
C A 0030 GLY N 2.252 C A 0029 GLU O
C A 0031 GLN N 3.148 C A 0029 GLU O
C A 0031 GLN N 2.243 C A 0030 GLY O
H A 0032 LEU N 3.148 C A 0030 GLY O
H A 0032 LEU N 2.252 C A 0031 GLN O
H A 0033 CYS N 2.254 H A 0032 LEU O
H A 0033 CYS N 2.799 C A 0064 GLY O
H A 0034 GLU N 3.084 H A 0032 LEU O
H A 0034 GLU N 2.237 H A 0033 CYS O
H A 0034 GLU N 2.883 C A 0062 ALA O
H A 0035 ASN N 2.783 H A 0032 LEU O
H A 0035 ASN N 3.000 H A 0033 CYS O
H A 0035 ASN N 2.254 H A 0034 GLU O
C A 0036 CYS N 2.894 H A 0033 CYS O
C A 0036 CYS N 2.249 H A 0035 ASN O
C A 0037 ALA N 2.236 C A 0036 CYS O
C A 0037 ALA N 2.824 C A 0070 ALA O
C A 0038 PHE N 3.024 C A 0036 CYS O
C A 0038 PHE N 2.250 C A 0037 ALA O
E A 0039 TRP N 2.862 C A 0036 CYS O
E A 0039 TRP N 2.248 C A 0038 PHE O
E A 0040 GLY N 2.252 E A 0039 TRP O
E A 0040 GLY N 2.770 E A 0049 ARG O
E A 0041 GLU N 2.256 E A 0040 GLY O
E A 0042 ALA N 2.270 E A 0041 GLU O
E A 0043 VAL N 2.254 E A 0042 ALA O
E A 0043 VAL N 2.799 E A 0047 TRP O
E A 0044 GLN N 2.247 E A 0043 VAL O
E A 0044 GLN N 3.164 E A 0047 TRP O
C A 0045 ASP N 2.260 E A 0044 GLN O
C A 0046 GLY N 2.937 E A 0044 GLN O
C A 0046 GLY N 2.238 C A 0045 ASP O
E A 0047 TRP N 2.719 E A 0044 GLN O
E A 0047 TRP N 2.243 C A 0046 GLY O
E A 0048 GLY N 2.256 E A 0047 TRP O
E A 0048 GLY N 2.793 E A 0060 VAL O
E A 0049 ARG N 2.920 E A 0041 GLU O
E A 0049 ARG N 2.251 E A 0048 GLY O
E A 0050 CYS N 2.267 E A 0049 ARG O
C A 0051 THR N 2.804 C A 0038 PHE O
C A 0051 THR N 2.239 E A 0050 CYS O
H A 0052 HIS N 2.813 E A 0050 CYS O
H A 0052 HIS N 2.236 C A 0051 THR O
H A 0053 PRO N 2.264 H A 0052 HIS O
H A 0054 ASP N 2.251 H A 0053 PRO O
H A 0055 PHE N 3.068 H A 0052 HIS O
H A 0055 PHE N 2.790 H A 0053 PRO O
H A 0055 PHE N 2.252 H A 0054 ASP O
H A 0056 ASP N 2.827 H A 0052 HIS O
H A 0056 ASP N 2.262 H A 0055 PHE O
H A 0057 GLU N 2.911 H A 0055 PHE O
H A 0057 GLU N 2.261 H A 0056 ASP O
C A 0058 VAL N 2.886 H A 0055 PHE O
C A 0058 VAL N 3.018 H A 0056 ASP O
C A 0058 VAL N 2.257 H A 0057 GLU O
C A 0059 LEU N 2.803 C A 0004 PRO O
C A 0059 LEU N 2.242 C A 0058 VAL O
E A 0060 VAL N 2.879 E A 0048 GLY O
E A 0060 VAL N 2.241 C A 0059 LEU O
E A 0061 LYS N 2.232 E A 0060 VAL O
C A 0062 ALA N 2.792 C A 0046 GLY O
C A 0062 ALA N 2.243 E A 0061 LYS O
C A 0063 GLU N 3.190 E A 0061 LYS O
C A 0063 GLU N 2.259 C A 0062 ALA O
C A 0064 GLY N 2.793 E A 0061 LYS O
C A 0064 GLY N 2.245 C A 0063 GLU O
C A 0065 TRP N 2.957 C A 0015 VAL O
C A 0065 TRP N 2.251 C A 0064 GLY O
C A 0066 CYS N 2.267 C A 0065 TRP O
C A 0067 SER N 2.836 C A 0012 HIS O
C A 0067 SER N 2.249 C A 0066 CYS O
C A 0068 VAL N 2.252 C A 0067 SER O
C A 0069 TYR N 3.091 C A 0066 CYS O
C A 0069 TYR N 3.136 C A 0067 SER O
C A 0069 TYR N 2.253 C A 0068 VAL O
C A 0070 ALA N 2.254 C A 0069 TYR O
C A 0071 PRO N 2.252 C A 0070 ALA O
C A 0072 ALA N 2.251 C A 0071 PRO O
C A 0073 SER N 2.927 C A 0071 PRO O
C A 0073 SER N 2.246 C A 0072 ALA O
HB_MS 2.00 3.20 19
C A 0001 ALA N 2.650 C A 0003 GLU OE1
C A 0001 ALA N 2.578 C A 0003 GLU OE2
C A 0006 ALA O 2.806 C A 0016 ASN ND2
C A 0012 HIS O 2.747 C A 0067 SER OG
C A 0016 ASN N 2.688 C A 0008 ASP OD2
H A 0019 ALA O 2.734 H A 0022 SER OG
C A 0026 ARG O 2.989 C A 0031 GLN NE2
C A 0030 GLY N 3.102 C A 0027 TYR OH
C A 0030 GLY O 2.806 H A 0035 ASN ND2
C A 0031 GLN N 3.173 C A 0027 TYR OH
C A 0031 GLN O 2.774 C A 0027 TYR OH
H A 0032 LEU N 2.970 H A 0035 ASN OD1
H A 0035 ASN O 2.864 C A 0069 TYR OH
C A 0038 PHE O 2.739 C A 0051 THR OG1
C A 0051 THR O 2.695 H A 0052 HIS ND1
H A 0054 ASP O 2.720 C A 0012 HIS NE2
E A 0061 LYS N 2.804 C A 0014 TYR OH
C A 0068 VAL N 3.143 C A 0067 SER OG
C A 0072 ALA O 2.843 C A 0073 SER OG
HB_SS 2.00 3.20 4
C A 0008 ASP OD1 2.691 C A 0016 ASN ND2
C A 0014 TYR OH 2.690 C A 0016 ASN OD1
C A 0045 ASP OD1 2.684 E A 0044 GLN NE2
C A 0069 TYR OH 2.716 H A 0035 ASN OD1
AROMATIC 0.00 8.00 3
C A 0012 HIS 4.399 H A 0055 PHE
C A 0027 TYR 5.229 C A 0065 TRP
C A 0005 ARG 4.974 E A 0047 TRP