Complet list of 3grx con file
Complete list of 3grx.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 360
C A 0001 ALA C 2.475 C A 0002 ASN CA
C A 0001 ALA C 3.631 C A 0002 ASN C
C A 0001 ALA C 3.229 C A 0002 ASN CB
C A 0002 ASN C 2.455 E A 0003 VAL CA
C A 0002 ASN C 3.137 E A 0003 VAL C
C A 0002 ASN C 3.698 E A 0003 VAL CB
E A 0003 VAL C 2.479 E A 0004 GLU CA
E A 0003 VAL C 3.485 E A 0004 GLU C
E A 0003 VAL C 3.510 E A 0004 GLU CB
E A 0003 VAL CG1 3.748 E A 0028 PHE CA
E A 0003 VAL CG1 3.757 E A 0028 PHE CB
E A 0004 GLU C 2.454 E A 0005 ILE CA
E A 0004 GLU C 3.624 E A 0005 ILE C
E A 0004 GLU C 3.327 E A 0005 ILE CB
E A 0005 ILE CA 3.784 E A 0006 TYR CA
E A 0005 ILE C 2.443 E A 0006 TYR CA
E A 0005 ILE C 3.135 E A 0006 TYR C
E A 0005 ILE C 3.660 E A 0006 TYR CB
E A 0005 ILE CD1 3.437 H A 0017 ALA CB
E A 0005 ILE CG2 3.782 H A 0018 LYS CE
E A 0005 ILE CD1 3.714 H A 0018 LYS CD
E A 0005 ILE CD1 3.493 H A 0021 LEU CD1
E A 0005 ILE C 3.677 E A 0031 LEU CD2
E A 0006 TYR CA 3.798 E A 0007 THR CA
E A 0006 TYR C 2.474 E A 0007 THR CA
E A 0006 TYR C 3.591 E A 0007 THR C
E A 0006 TYR C 3.363 E A 0007 THR CB
E A 0006 TYR C 3.527 E A 0007 THR CG2
E A 0006 TYR CD1 3.616 E A 0031 LEU CB
E A 0006 TYR CE1 3.697 E A 0031 LEU CB
E A 0006 TYR CD1 3.511 C A 0033 ILE CG2
E A 0006 TYR CE1 3.800 C A 0033 ILE CG2
E A 0006 TYR CD2 3.567 H A 0043 MET CG
E A 0006 TYR CE2 3.647 H A 0043 MET CB
E A 0006 TYR CE2 3.573 H A 0043 MET CG
E A 0006 TYR CZ 3.484 H A 0043 MET CB
E A 0006 TYR CB 3.703 C A 0052 VAL CG1
E A 0007 THR C 2.450 C A 0008 LYS CA
E A 0007 THR C 3.545 C A 0008 LYS C
E A 0007 THR C 3.308 C A 0008 LYS CB
E A 0007 THR CG2 3.565 E A 0030 GLU CG
E A 0007 THR CG2 3.688 E A 0030 GLU CD
C A 0008 LYS C 2.458 C A 0009 GLU CA
C A 0008 LYS C 2.958 C A 0009 GLU C
C A 0008 LYS C 3.729 C A 0009 GLU CB
C A 0008 LYS CB 3.730 C A 0011 CYS CB
C A 0008 LYS CE 3.464 C A 0033 ILE CD1
C A 0009 GLU C 2.451 C A 0010 THR CA
C A 0009 GLU C 3.195 C A 0010 THR C
C A 0009 GLU C 3.615 C A 0010 THR CB
C A 0009 GLU CB 3.617 C A 0034 ASP CG
C A 0010 THR C 2.488 C A 0011 CYS CA
C A 0010 THR C 3.719 C A 0011 CYS C
C A 0010 THR C 3.138 C A 0011 CYS CB
C A 0011 CYS CA 3.008 H A 0012 PRO CD
C A 0011 CYS C 2.429 H A 0012 PRO CA
C A 0011 CYS C 3.108 H A 0012 PRO C
C A 0011 CYS C 3.634 H A 0012 PRO CB
C A 0011 CYS C 3.690 H A 0012 PRO CG
C A 0011 CYS C 2.512 H A 0012 PRO CD
H A 0012 PRO C 2.464 H A 0013 TYR CA
H A 0012 PRO C 3.027 H A 0013 TYR C
H A 0012 PRO C 3.726 H A 0013 TYR CB
H A 0013 TYR C 2.474 H A 0014 SER CA
H A 0013 TYR C 3.043 H A 0014 SER C
H A 0013 TYR C 3.710 H A 0014 SER CB
H A 0013 TYR C 3.736 C A 0053 PRO CD
H A 0013 TYR CD2 3.323 C A 0053 PRO CD
H A 0013 TYR CE1 3.736 H A 0065 TYR CD2
H A 0013 TYR CZ 3.725 H A 0065 TYR CB
H A 0014 SER C 2.432 H A 0015 HIS CA
H A 0014 SER C 3.093 H A 0015 HIS C
H A 0014 SER C 3.718 H A 0015 HIS CB
H A 0015 HIS C 2.487 H A 0016 ARG CA
H A 0015 HIS C 2.943 H A 0016 ARG C
H A 0015 HIS C 3.741 H A 0016 ARG CB
H A 0016 ARG C 2.440 H A 0017 ALA CA
H A 0016 ARG C 3.034 H A 0017 ALA C
H A 0016 ARG C 3.711 H A 0017 ALA CB
H A 0016 ARG C 3.735 H A 0065 TYR CE1
H A 0016 ARG CB 3.785 H A 0065 TYR CD2
H A 0016 ARG CB 3.640 H A 0065 TYR CE2
H A 0016 ARG CD 3.798 H A 0065 TYR CE2
H A 0017 ALA C 2.436 H A 0018 LYS CA
H A 0017 ALA C 3.164 H A 0018 LYS C
H A 0017 ALA C 3.679 H A 0018 LYS CB
H A 0017 ALA C 3.705 H A 0018 LYS CD
H A 0017 ALA CA 3.258 H A 0065 TYR CD1
H A 0017 ALA CA 3.361 H A 0065 TYR CE1
H A 0017 ALA CB 3.446 H A 0065 TYR CD1
H A 0018 LYS C 2.429 H A 0019 ALA CA
H A 0018 LYS C 3.001 H A 0019 ALA C
H A 0018 LYS C 3.705 H A 0019 ALA CB
H A 0018 LYS CE 3.528 H A 0021 LEU CD1
H A 0019 ALA C 2.445 H A 0020 LEU CA
H A 0019 ALA C 3.015 H A 0020 LEU C
H A 0019 ALA C 3.731 H A 0020 LEU CB
H A 0020 LEU CA 3.792 H A 0021 LEU CA
H A 0020 LEU C 2.443 H A 0021 LEU CA
H A 0020 LEU C 3.009 H A 0021 LEU C
H A 0020 LEU C 3.713 H A 0021 LEU CB
H A 0020 LEU CB 3.753 H A 0065 TYR CE1
H A 0020 LEU CD1 3.553 H A 0065 TYR CE1
H A 0020 LEU CD1 3.529 H A 0069 TYR CA
H A 0021 LEU C 2.438 H A 0022 SER CA
H A 0021 LEU C 3.123 H A 0022 SER C
H A 0021 LEU C 3.697 H A 0022 SER CB
H A 0021 LEU CD2 3.626 C A 0026 VAL CB
H A 0021 LEU CD2 3.719 C A 0026 VAL CG1
H A 0021 LEU CD2 3.753 C A 0026 VAL CG2
H A 0022 SER C 2.447 H A 0023 SER CA
H A 0022 SER C 2.956 H A 0023 SER C
H A 0022 SER C 3.724 H A 0023 SER CB
H A 0023 SER C 2.489 C A 0024 LYS CA
H A 0023 SER C 3.283 C A 0024 LYS C
H A 0023 SER C 3.690 C A 0024 LYS CB
C A 0024 LYS C 2.478 C A 0025 GLY CA
C A 0024 LYS C 3.072 C A 0025 GLY C
C A 0024 LYS C 3.799 C A 0026 VAL CG2
C A 0024 LYS CB 3.432 C A 0026 VAL CG2
C A 0024 LYS CG 3.789 H A 0072 ASP CG
C A 0025 GLY C 2.437 C A 0026 VAL CA
C A 0025 GLY C 3.178 C A 0026 VAL C
C A 0025 GLY C 3.689 C A 0026 VAL CB
C A 0026 VAL C 2.490 C A 0027 SER CA
C A 0026 VAL C 3.306 C A 0027 SER C
C A 0026 VAL C 3.644 C A 0027 SER CB
C A 0026 VAL CG1 3.695 C A 0081 LEU CD2
C A 0027 SER C 2.451 E A 0028 PHE CA
C A 0027 SER C 3.126 E A 0028 PHE C
C A 0027 SER C 3.717 E A 0028 PHE CB
E A 0028 PHE C 2.487 E A 0029 GLN CA
E A 0028 PHE C 3.469 E A 0029 GLN C
E A 0028 PHE C 3.467 E A 0029 GLN CB
E A 0029 GLN C 2.443 E A 0030 GLU CA
E A 0029 GLN C 3.192 E A 0030 GLU C
E A 0029 GLN C 3.674 E A 0030 GLU CB
E A 0030 GLU C 2.492 E A 0031 LEU CA
E A 0030 GLU C 3.503 E A 0031 LEU C
E A 0030 GLU C 3.578 E A 0031 LEU CB
E A 0030 GLU C 3.691 E A 0031 LEU CD1
E A 0030 GLU C 3.644 E A 0032 PRO CD
E A 0031 LEU CA 2.975 E A 0032 PRO CD
E A 0031 LEU C 2.458 E A 0032 PRO CA
E A 0031 LEU C 3.020 E A 0032 PRO C
E A 0031 LEU C 3.697 E A 0032 PRO CB
E A 0031 LEU C 3.699 E A 0032 PRO CG
E A 0031 LEU C 2.500 E A 0032 PRO CD
E A 0031 LEU CG 3.781 H A 0039 LYS CD
E A 0031 LEU CD1 3.628 H A 0039 LYS CD
E A 0032 PRO C 2.489 C A 0033 ILE CA
E A 0032 PRO C 3.410 C A 0033 ILE C
E A 0032 PRO C 3.620 C A 0033 ILE CB
E A 0032 PRO C 3.722 C A 0033 ILE CG2
E A 0032 PRO CB 3.790 C A 0034 ASP CG
C A 0033 ILE CA 3.769 C A 0034 ASP CA
C A 0033 ILE C 2.417 C A 0034 ASP CA
C A 0033 ILE C 3.003 C A 0034 ASP C
C A 0033 ILE C 3.717 C A 0034 ASP CB
C A 0033 ILE CB 3.750 H A 0040 ARG CB
C A 0033 ILE CB 3.532 H A 0040 ARG CG
C A 0033 ILE CG2 3.506 H A 0040 ARG CA
C A 0033 ILE CG2 3.477 H A 0040 ARG CB
C A 0033 ILE CG2 3.666 H A 0040 ARG CG
C A 0033 ILE CD1 3.455 H A 0040 ARG CG
C A 0033 ILE CG1 3.730 C A 0052 VAL CG1
C A 0033 ILE CD1 3.355 C A 0052 VAL CG1
C A 0034 ASP C 2.466 C A 0035 GLY CA
C A 0034 ASP C 3.251 C A 0035 GLY C
C A 0035 GLY C 2.471 C A 0036 ASN CA
C A 0035 GLY C 3.700 C A 0036 ASN C
C A 0035 GLY C 3.217 C A 0036 ASN CB
C A 0036 ASN C 2.475 C A 0037 ALA CA
C A 0036 ASN C 3.608 C A 0037 ALA C
C A 0036 ASN C 3.441 C A 0037 ALA CB
C A 0037 ALA C 2.464 H A 0038 ALA CA
C A 0037 ALA C 3.056 H A 0038 ALA C
C A 0037 ALA C 3.733 H A 0038 ALA CB
C A 0037 ALA CA 3.588 H A 0040 ARG CB
C A 0037 ALA C 3.652 H A 0040 ARG CB
H A 0038 ALA C 2.467 H A 0039 LYS CA
H A 0038 ALA C 3.051 H A 0039 LYS C
H A 0038 ALA C 3.714 H A 0039 LYS CB
H A 0039 LYS C 2.448 H A 0040 ARG CA
H A 0039 LYS C 2.944 H A 0040 ARG C
H A 0039 LYS C 3.712 H A 0040 ARG CB
H A 0039 LYS CA 3.713 H A 0042 GLU CB
H A 0039 LYS C 3.797 H A 0042 GLU CB
H A 0040 ARG CA 3.799 H A 0041 GLU CA
H A 0040 ARG C 2.419 H A 0041 GLU CA
H A 0040 ARG C 3.127 H A 0041 GLU C
H A 0040 ARG C 3.636 H A 0041 GLU CB
H A 0040 ARG CZ 3.555 H A 0044 ILE CD1
H A 0041 GLU C 2.455 H A 0042 GLU CA
H A 0041 GLU C 3.044 H A 0042 GLU C
H A 0041 GLU C 3.682 H A 0042 GLU CB
H A 0042 GLU C 2.504 H A 0043 MET CA
H A 0042 GLU C 3.040 H A 0043 MET C
H A 0042 GLU C 3.778 H A 0043 MET CB
H A 0043 MET C 2.451 H A 0044 ILE CA
H A 0043 MET C 2.995 H A 0044 ILE C
H A 0043 MET C 3.741 H A 0044 ILE CB
H A 0044 ILE C 2.447 H A 0045 LYS CA
H A 0044 ILE C 3.170 H A 0045 LYS C
H A 0044 ILE C 3.700 H A 0045 LYS CB
H A 0045 LYS C 2.458 H A 0046 ARG CA
H A 0045 LYS C 3.059 H A 0046 ARG C
H A 0045 LYS C 3.754 H A 0046 ARG CB
H A 0046 ARG C 2.463 H A 0047 SER CA
H A 0046 ARG C 3.579 H A 0047 SER C
H A 0046 ARG C 3.458 H A 0047 SER CB
H A 0046 ARG CB 3.578 E A 0056 PHE CE2
H A 0046 ARG CB 3.727 E A 0056 PHE CZ
H A 0047 SER C 2.465 C A 0048 GLY CA
H A 0047 SER C 3.276 C A 0048 GLY C
H A 0047 SER CB 3.715 E A 0056 PHE CZ
H A 0047 SER CB 3.767 E A 0061 HIS CD2
H A 0047 SER CB 3.708 E A 0061 HIS CE1
C A 0048 GLY C 2.455 C A 0049 ARG CA
C A 0048 GLY C 3.215 C A 0049 ARG C
C A 0048 GLY C 3.706 C A 0049 ARG CB
C A 0049 ARG C 2.450 C A 0050 THR CA
C A 0049 ARG C 3.335 C A 0050 THR C
C A 0049 ARG C 3.625 C A 0050 THR CB
C A 0049 ARG CB 3.613 E A 0054 GLN CD
C A 0050 THR C 2.455 C A 0051 THR CA
C A 0050 THR C 3.234 C A 0051 THR C
C A 0050 THR C 3.666 C A 0051 THR CB
C A 0051 THR C 2.492 C A 0052 VAL CA
C A 0051 THR C 3.507 C A 0052 VAL C
C A 0051 THR C 3.547 C A 0052 VAL CB
C A 0051 THR C 3.661 C A 0052 VAL CG1
C A 0052 VAL CA 2.942 C A 0053 PRO CA
C A 0052 VAL CA 3.311 C A 0053 PRO C
C A 0052 VAL C 2.483 C A 0053 PRO CA
C A 0052 VAL C 3.117 C A 0053 PRO C
C A 0052 VAL C 3.678 C A 0053 PRO CB
C A 0052 VAL C 3.699 C A 0053 PRO CG
C A 0052 VAL C 2.484 C A 0053 PRO CD
C A 0052 VAL CB 3.381 C A 0053 PRO CA
C A 0053 PRO CA 3.789 E A 0054 GLN CA
C A 0053 PRO C 2.464 E A 0054 GLN CA
C A 0053 PRO C 3.545 E A 0054 GLN C
C A 0053 PRO C 3.383 E A 0054 GLN CB
C A 0053 PRO C 3.442 E A 0054 GLN CG
E A 0054 GLN CA 3.784 E A 0055 ILE CA
E A 0054 GLN C 2.426 E A 0055 ILE CA
E A 0054 GLN C 3.307 E A 0055 ILE C
E A 0054 GLN C 3.542 E A 0055 ILE CB
E A 0054 GLN C 3.709 E A 0055 ILE CG1
E A 0054 GLN C 3.610 E A 0055 ILE CD1
E A 0055 ILE CA 3.785 E A 0056 PHE CA
E A 0055 ILE C 2.459 E A 0056 PHE CA
E A 0055 ILE C 3.492 E A 0056 PHE C
E A 0055 ILE C 3.427 E A 0056 PHE CB
E A 0055 ILE C 3.517 E A 0056 PHE CG
E A 0055 ILE C 3.358 E A 0056 PHE CD1
E A 0055 ILE CB 3.652 C A 0062 ILE CG1
E A 0055 ILE CG2 3.662 C A 0062 ILE CG1
E A 0056 PHE C 2.457 E A 0057 ILE CA
E A 0056 PHE C 3.498 E A 0057 ILE C
E A 0056 PHE C 3.415 E A 0057 ILE CB
E A 0056 PHE C 3.342 E A 0057 ILE CG1
E A 0056 PHE CD2 3.566 E A 0061 HIS CA
E A 0056 PHE CD2 3.789 E A 0061 HIS CB
E A 0056 PHE CE2 3.610 E A 0061 HIS CB
E A 0056 PHE CE2 3.500 E A 0061 HIS CD2
E A 0056 PHE CZ 3.426 E A 0061 HIS CD2
E A 0057 ILE C 2.469 C A 0058 ASP CA
E A 0057 ILE C 2.987 C A 0058 ASP C
E A 0057 ILE C 3.107 C A 0058 ASP CB
E A 0057 ILE C 3.585 C A 0058 ASP CG
E A 0057 ILE CD1 3.785 H A 0077 LEU CG
E A 0057 ILE CG2 3.741 H A 0080 LEU CB
C A 0058 ASP C 2.524 C A 0059 ALA CA
C A 0058 ASP C 3.242 C A 0059 ALA C
C A 0058 ASP C 3.124 C A 0059 ALA CB
C A 0059 ALA C 2.433 E A 0060 GLN CA
C A 0059 ALA C 3.077 E A 0060 GLN C
C A 0059 ALA C 3.703 E A 0060 GLN CB
E A 0060 GLN C 2.447 E A 0061 HIS CA
E A 0060 GLN C 3.144 E A 0061 HIS C
E A 0060 GLN C 3.628 E A 0061 HIS CB
E A 0061 HIS C 2.455 C A 0062 ILE CA
E A 0061 HIS C 3.309 C A 0062 ILE C
E A 0061 HIS C 3.638 C A 0062 ILE CB
E A 0061 HIS C 3.721 C A 0062 ILE CD1
E A 0061 HIS CE1 3.713 C A 0063 GLY CA
C A 0062 ILE C 2.466 C A 0063 GLY CA
C A 0062 ILE C 3.620 C A 0063 GLY C
C A 0063 GLY C 2.468 C A 0064 GLY CA
C A 0063 GLY C 3.260 C A 0064 GLY C
C A 0064 GLY C 2.461 H A 0065 TYR CA
C A 0064 GLY C 3.185 H A 0065 TYR C
C A 0064 GLY C 3.700 H A 0065 TYR CB
H A 0065 TYR C 2.433 H A 0066 ASP CA
H A 0065 TYR C 2.946 H A 0066 ASP C
H A 0065 TYR C 3.735 H A 0066 ASP CB
H A 0066 ASP C 2.465 H A 0067 ASP CA
H A 0066 ASP C 2.977 H A 0067 ASP C
H A 0066 ASP C 3.771 H A 0067 ASP CB
H A 0067 ASP C 2.465 H A 0068 LEU CA
H A 0067 ASP C 3.041 H A 0068 LEU C
H A 0067 ASP C 3.778 H A 0068 LEU CB
H A 0068 LEU C 2.461 H A 0069 TYR CA
H A 0068 LEU C 2.958 H A 0069 TYR C
H A 0068 LEU C 3.758 H A 0069 TYR CB
H A 0068 LEU CD1 3.755 H A 0077 LEU CD1
H A 0069 TYR C 2.434 H A 0070 ALA CA
H A 0069 TYR C 3.007 H A 0070 ALA C
H A 0069 TYR C 3.714 H A 0070 ALA CB
H A 0070 ALA C 2.462 H A 0071 LEU CA
H A 0070 ALA C 3.052 H A 0071 LEU C
H A 0070 ALA C 3.739 H A 0071 LEU CB
H A 0071 LEU C 2.453 H A 0072 ASP CA
H A 0071 LEU C 3.093 H A 0072 ASP C
H A 0071 LEU C 3.735 H A 0072 ASP CB
H A 0071 LEU CD1 3.658 C A 0076 GLY C
H A 0071 LEU CD2 3.754 C A 0076 GLY CA
H A 0071 LEU CD1 3.558 H A 0077 LEU CA
H A 0071 LEU CD1 3.699 H A 0077 LEU CB
H A 0072 ASP CA 3.799 H A 0073 ALA CA
H A 0072 ASP C 2.450 H A 0073 ALA CA
H A 0072 ASP C 3.117 H A 0073 ALA C
H A 0072 ASP C 3.696 H A 0073 ALA CB
H A 0072 ASP CA 3.608 H A 0077 LEU CB
H A 0072 ASP CB 3.773 H A 0077 LEU CD1
H A 0073 ALA C 2.469 C A 0074 ARG CA
H A 0073 ALA C 3.207 C A 0074 ARG C
H A 0073 ALA C 3.703 C A 0074 ARG CB
C A 0074 ARG C 2.460 C A 0075 GLY CA
C A 0074 ARG C 3.258 C A 0075 GLY C
C A 0074 ARG CD 3.797 C A 0075 GLY C
C A 0075 GLY C 2.451 C A 0076 GLY CA
C A 0075 GLY C 3.296 C A 0076 GLY C
C A 0075 GLY C 3.683 H A 0079 PRO CD
C A 0076 GLY C 2.473 H A 0077 LEU CA
C A 0076 GLY C 3.077 H A 0077 LEU C
C A 0076 GLY C 3.769 H A 0077 LEU CB
H A 0077 LEU CA 3.795 H A 0078 ASP CA
H A 0077 LEU C 2.468 H A 0078 ASP CA
H A 0077 LEU C 3.071 H A 0078 ASP C
H A 0077 LEU C 3.731 H A 0078 ASP CB
H A 0077 LEU C 3.636 H A 0079 PRO CD
H A 0078 ASP CA 3.054 H A 0079 PRO CD
H A 0078 ASP C 2.453 H A 0079 PRO CA
H A 0078 ASP C 3.180 H A 0079 PRO C
H A 0078 ASP C 3.659 H A 0079 PRO CB
H A 0078 ASP C 3.690 H A 0079 PRO CG
H A 0078 ASP C 2.521 H A 0079 PRO CD
H A 0078 ASP CB 3.431 H A 0079 PRO CD
H A 0079 PRO C 2.465 H A 0080 LEU CA
H A 0079 PRO C 3.241 H A 0080 LEU C
H A 0079 PRO C 3.705 H A 0080 LEU CB
H A 0080 LEU C 2.448 C A 0081 LEU CA
H A 0080 LEU C 3.086 C A 0081 LEU C
H A 0080 LEU C 3.698 C A 0081 LEU CB
C A 0081 LEU C 2.465 C A 0082 LYS CA
C A 0081 LEU C 3.167 C A 0082 LYS C
C A 0081 LEU C 3.704 C A 0082 LYS CB
CHARGE_ATTR 2.00 12.00 74
E A 0004 GLU OE1 7.762 H A 0039 LYS NZ
E A 0004 GLU OE2 9.339 H A 0039 LYS NZ
E A 0004 GLU OE1 8.513 H A 0046 ARG NH1
E A 0004 GLU OE1 9.230 H A 0046 ARG NH2
E A 0004 GLU OE2 8.975 H A 0046 ARG NH1
E A 0004 GLU OE2 9.221 H A 0046 ARG NH2
E A 0004 GLU OE1 11.15 E A 0061 HIS NE2
E A 0004 GLU OE2 11.96 E A 0061 HIS NE2
C A 0009 GLU OE1 10.32 C A 0008 LYS NZ
C A 0009 GLU OE2 11.91 C A 0008 LYS NZ
C A 0009 GLU OE1 8.928 H A 0015 HIS ND1
C A 0009 GLU OE1 7.316 H A 0015 HIS NE2
C A 0009 GLU OE2 8.253 H A 0015 HIS ND1
C A 0009 GLU OE2 7.055 H A 0015 HIS NE2
E A 0030 GLU OE1 6.484 H A 0015 HIS ND1
E A 0030 GLU OE1 8.234 H A 0015 HIS NE2
E A 0030 GLU OE2 5.674 H A 0015 HIS ND1
E A 0030 GLU OE2 6.989 H A 0015 HIS NE2
E A 0030 GLU OE1 2.672 H A 0018 LYS NZ
E A 0030 GLU OE2 4.681 H A 0018 LYS NZ
E A 0030 GLU OE2 11.93 H A 0039 LYS NZ
C A 0034 ASP OD1 8.526 C A 0008 LYS NZ
C A 0034 ASP OD2 7.626 C A 0008 LYS NZ
C A 0034 ASP OD1 9.527 H A 0015 HIS ND1
C A 0034 ASP OD1 8.612 H A 0015 HIS NE2
C A 0034 ASP OD2 7.777 H A 0015 HIS ND1
C A 0034 ASP OD2 6.929 H A 0015 HIS NE2
C A 0034 ASP OD2 11.37 H A 0018 LYS NZ
C A 0034 ASP OD1 11.02 H A 0039 LYS NZ
C A 0034 ASP OD2 11.21 H A 0039 LYS NZ
C A 0034 ASP OD2 11.99 H A 0040 ARG NH1
H A 0041 GLU OE1 10.41 C A 0008 LYS NZ
H A 0041 GLU OE1 5.023 H A 0040 ARG NH1
H A 0041 GLU OE1 2.794 H A 0040 ARG NH2
H A 0041 GLU OE2 7.177 H A 0040 ARG NH1
H A 0041 GLU OE2 4.950 H A 0040 ARG NH2
H A 0041 GLU OE1 6.039 H A 0045 LYS NZ
H A 0041 GLU OE2 4.681 H A 0045 LYS NZ
H A 0042 GLU OE1 7.820 H A 0039 LYS NZ
H A 0042 GLU OE2 9.682 H A 0039 LYS NZ
H A 0042 GLU OE1 11.74 H A 0040 ARG NH2
H A 0042 GLU OE2 11.93 H A 0040 ARG NH2
H A 0042 GLU OE1 6.137 H A 0045 LYS NZ
H A 0042 GLU OE2 5.280 H A 0045 LYS NZ
H A 0042 GLU OE1 6.588 H A 0046 ARG NH1
H A 0042 GLU OE1 8.775 H A 0046 ARG NH2
H A 0042 GLU OE2 4.844 H A 0046 ARG NH1
H A 0042 GLU OE2 7.038 H A 0046 ARG NH2
C A 0058 ASP OD1 9.982 C A 0082 LYS NZ
C A 0058 ASP OD2 9.663 C A 0082 LYS NZ
H A 0066 ASP OD1 7.225 H A 0016 ARG NH1
H A 0066 ASP OD1 6.936 H A 0016 ARG NH2
H A 0066 ASP OD2 7.959 H A 0016 ARG NH1
H A 0066 ASP OD2 7.036 H A 0016 ARG NH2
H A 0066 ASP OD1 11.49 C A 0049 ARG NH1
H A 0066 ASP OD1 10.74 C A 0049 ARG NH2
H A 0067 ASP OD1 8.546 C A 0049 ARG NH1
H A 0067 ASP OD1 7.016 C A 0049 ARG NH2
H A 0067 ASP OD2 7.384 C A 0049 ARG NH1
H A 0067 ASP OD2 5.975 C A 0049 ARG NH2
H A 0067 ASP OD1 9.305 E A 0061 HIS ND1
H A 0067 ASP OD1 8.981 E A 0061 HIS NE2
H A 0067 ASP OD2 7.129 E A 0061 HIS ND1
H A 0067 ASP OD2 6.895 E A 0061 HIS NE2
H A 0072 ASP OD1 4.378 C A 0024 LYS NZ
H A 0072 ASP OD2 2.689 C A 0024 LYS NZ
H A 0072 ASP OD1 11.00 C A 0074 ARG NH1
H A 0072 ASP OD1 11.40 C A 0074 ARG NH2
H A 0072 ASP OD2 11.64 C A 0074 ARG NH1
H A 0078 ASP OD1 8.462 C A 0024 LYS NZ
H A 0078 ASP OD2 6.356 C A 0024 LYS NZ
H A 0078 ASP OD1 11.43 C A 0074 ARG NH1
H A 0078 ASP OD2 11.89 C A 0074 ARG NH1
H A 0078 ASP OD1 10.52 C A 0082 LYS NZ
CHARGE_REPU 2.00 12.00 51
E A 0004 GLU OE1 9.317 H A 0042 GLU OE1
E A 0004 GLU OE1 9.662 H A 0042 GLU OE2
E A 0004 GLU OE2 10.55 H A 0042 GLU OE1
E A 0004 GLU OE2 10.72 H A 0042 GLU OE2
E A 0004 GLU OE1 10.00 C A 0058 ASP OD1
E A 0004 GLU OE1 11.53 C A 0058 ASP OD2
E A 0004 GLU OE2 8.033 C A 0058 ASP OD1
E A 0004 GLU OE2 9.708 C A 0058 ASP OD2
C A 0008 LYS NZ 10.88 H A 0015 HIS NE2
C A 0008 LYS NZ 5.766 H A 0040 ARG NH1
C A 0008 LYS NZ 7.672 H A 0040 ARG NH2
C A 0009 GLU OE1 10.72 E A 0030 GLU OE2
C A 0009 GLU OE2 11.56 E A 0030 GLU OE1
C A 0009 GLU OE2 9.749 E A 0030 GLU OE2
C A 0009 GLU OE1 5.403 C A 0034 ASP OD1
C A 0009 GLU OE1 5.842 C A 0034 ASP OD2
C A 0009 GLU OE2 5.721 C A 0034 ASP OD1
C A 0009 GLU OE2 6.145 C A 0034 ASP OD2
H A 0015 HIS ND1 11.38 H A 0016 ARG NH1
H A 0015 HIS NE2 11.36 H A 0016 ARG NH1
H A 0015 HIS ND1 7.480 H A 0018 LYS NZ
H A 0015 HIS NE2 9.477 H A 0018 LYS NZ
E A 0030 GLU OE1 10.54 C A 0034 ASP OD1
E A 0030 GLU OE1 9.056 C A 0034 ASP OD2
E A 0030 GLU OE2 8.375 C A 0034 ASP OD1
E A 0030 GLU OE2 6.877 C A 0034 ASP OD2
H A 0040 ARG NH1 9.788 H A 0045 LYS NZ
H A 0040 ARG NH2 8.087 H A 0045 LYS NZ
H A 0041 GLU OE1 10.58 H A 0042 GLU OE1
H A 0041 GLU OE1 10.57 H A 0042 GLU OE2
H A 0041 GLU OE2 9.577 H A 0042 GLU OE1
H A 0041 GLU OE2 9.480 H A 0042 GLU OE2
H A 0045 LYS NZ 8.086 H A 0046 ARG NH1
H A 0045 LYS NZ 10.11 H A 0046 ARG NH2
H A 0046 ARG NH1 11.29 E A 0061 HIS ND1
H A 0046 ARG NH1 11.21 E A 0061 HIS NE2
H A 0046 ARG NH2 10.72 E A 0061 HIS ND1
H A 0046 ARG NH2 11.06 E A 0061 HIS NE2
C A 0049 ARG NH1 8.367 E A 0061 HIS ND1
C A 0049 ARG NH1 7.493 E A 0061 HIS NE2
C A 0049 ARG NH2 8.200 E A 0061 HIS ND1
C A 0049 ARG NH2 7.764 E A 0061 HIS NE2
C A 0058 ASP OD2 11.93 H A 0078 ASP OD1
H A 0066 ASP OD1 6.197 H A 0067 ASP OD1
H A 0066 ASP OD1 7.883 H A 0067 ASP OD2
H A 0066 ASP OD2 6.752 H A 0067 ASP OD1
H A 0066 ASP OD2 8.749 H A 0067 ASP OD2
H A 0072 ASP OD1 6.293 H A 0078 ASP OD1
H A 0072 ASP OD1 4.554 H A 0078 ASP OD2
H A 0072 ASP OD2 7.630 H A 0078 ASP OD1
H A 0072 ASP OD2 5.716 H A 0078 ASP OD2
HB_MM 2.00 3.20 139
C A 0002 ASN N 2.241 C A 0001 ALA O
E A 0003 VAL N 2.251 C A 0002 ASN O
E A 0004 GLU N 2.243 E A 0003 VAL O
E A 0004 GLU N 2.848 E A 0056 PHE O
E A 0005 ILE N 2.245 E A 0004 GLU O
E A 0005 ILE N 2.963 E A 0029 GLN O
E A 0006 TYR N 2.249 E A 0005 ILE O
E A 0006 TYR N 2.955 E A 0054 GLN O
E A 0007 THR N 2.254 E A 0006 TYR O
E A 0007 THR N 3.019 E A 0031 LEU O
C A 0008 LYS N 2.230 E A 0007 THR O
C A 0009 GLU N 2.269 C A 0008 LYS O
C A 0010 THR N 2.242 C A 0009 GLU O
C A 0011 CYS N 3.102 C A 0009 GLU O
C A 0011 CYS N 2.245 C A 0010 THR O
H A 0012 PRO N 2.237 C A 0011 CYS O
H A 0013 TYR N 2.245 H A 0012 PRO O
H A 0014 SER N 3.184 C A 0011 CYS O
H A 0014 SER N 2.244 H A 0013 TYR O
H A 0015 HIS N 2.964 H A 0012 PRO O
H A 0015 HIS N 2.246 H A 0014 SER O
H A 0016 ARG N 2.813 H A 0012 PRO O
H A 0016 ARG N 2.255 H A 0015 HIS O
H A 0017 ALA N 3.109 H A 0014 SER O
H A 0017 ALA N 2.245 H A 0016 ARG O
H A 0018 LYS N 2.940 H A 0015 HIS O
H A 0018 LYS N 3.022 H A 0016 ARG O
H A 0018 LYS N 2.229 H A 0017 ALA O
H A 0019 ALA N 3.014 H A 0016 ARG O
H A 0019 ALA N 2.256 H A 0018 LYS O
H A 0020 LEU N 2.261 H A 0019 ALA O
H A 0021 LEU N 2.872 H A 0017 ALA O
H A 0021 LEU N 2.251 H A 0020 LEU O
H A 0022 SER N 2.826 H A 0018 LYS O
H A 0022 SER N 3.170 H A 0020 LEU O
H A 0022 SER N 2.235 H A 0021 LEU O
H A 0023 SER N 2.886 H A 0019 ALA O
H A 0023 SER N 2.924 H A 0020 LEU O
H A 0023 SER N 2.250 H A 0022 SER O
C A 0024 LYS N 2.871 H A 0020 LEU O
C A 0024 LYS N 2.252 H A 0023 SER O
C A 0025 GLY N 3.098 H A 0021 LEU O
C A 0025 GLY N 2.901 H A 0022 SER O
C A 0025 GLY N 2.237 C A 0024 LYS O
C A 0026 VAL N 2.795 H A 0021 LEU O
C A 0026 VAL N 2.238 C A 0025 GLY O
C A 0027 SER N 2.245 C A 0026 VAL O
E A 0028 PHE N 2.242 C A 0027 SER O
E A 0029 GLN N 2.936 E A 0003 VAL O
E A 0029 GLN N 2.252 E A 0028 PHE O
E A 0030 GLU N 2.242 E A 0029 GLN O
E A 0031 LEU N 2.853 E A 0005 ILE O
E A 0031 LEU N 2.258 E A 0030 GLU O
E A 0032 PRO N 2.255 E A 0031 LEU O
C A 0033 ILE N 2.843 E A 0007 THR O
C A 0033 ILE N 3.168 E A 0031 LEU O
C A 0033 ILE N 2.250 E A 0032 PRO O
C A 0034 ASP N 2.244 C A 0033 ILE O
C A 0035 GLY N 2.234 C A 0034 ASP O
C A 0036 ASN N 2.997 C A 0034 ASP O
C A 0036 ASN N 2.240 C A 0035 GLY O
C A 0037 ALA N 2.262 C A 0036 ASN O
H A 0038 ALA N 2.241 C A 0037 ALA O
H A 0039 LYS N 2.238 H A 0038 ALA O
H A 0040 ARG N 3.125 H A 0038 ALA O
H A 0040 ARG N 2.240 H A 0039 LYS O
H A 0041 GLU N 2.931 C A 0037 ALA O
H A 0041 GLU N 2.876 H A 0038 ALA O
H A 0041 GLU N 2.218 H A 0040 ARG O
H A 0042 GLU N 2.935 H A 0038 ALA O
H A 0042 GLU N 2.241 H A 0041 GLU O
H A 0043 MET N 3.081 H A 0039 LYS O
H A 0043 MET N 3.060 H A 0040 ARG O
H A 0043 MET N 2.243 H A 0042 GLU O
H A 0044 ILE N 2.251 H A 0043 MET O
H A 0045 LYS N 3.027 H A 0042 GLU O
H A 0045 LYS N 2.232 H A 0044 ILE O
H A 0046 ARG N 2.920 H A 0042 GLU O
H A 0046 ARG N 2.883 H A 0043 MET O
H A 0046 ARG N 2.238 H A 0045 LYS O
H A 0047 SER N 3.062 H A 0043 MET O
H A 0047 SER N 2.256 H A 0046 ARG O
C A 0048 GLY N 2.855 H A 0044 ILE O
C A 0048 GLY N 2.244 H A 0047 SER O
C A 0049 ARG N 2.241 C A 0048 GLY O
C A 0050 THR N 2.251 C A 0049 ARG O
C A 0051 THR N 2.244 C A 0050 THR O
C A 0052 VAL N 2.242 C A 0051 THR O
C A 0053 PRO N 2.253 C A 0052 VAL O
E A 0054 GLN N 2.262 C A 0053 PRO O
E A 0055 ILE N 2.263 E A 0054 GLN O
E A 0056 PHE N 2.957 E A 0004 GLU O
E A 0056 PHE N 2.268 E A 0055 ILE O
E A 0057 ILE N 2.239 E A 0056 PHE O
E A 0057 ILE N 2.804 E A 0060 GLN O
C A 0058 ASP N 2.925 C A 0002 ASN O
C A 0058 ASP N 2.261 E A 0057 ILE O
C A 0059 ALA N 2.259 C A 0058 ASP O
E A 0060 GLN N 3.021 E A 0057 ILE O
E A 0060 GLN N 2.996 C A 0058 ASP O
E A 0060 GLN N 2.234 C A 0059 ALA O
E A 0061 HIS N 2.234 E A 0060 GLN O
C A 0062 ILE N 2.924 E A 0055 ILE O
C A 0062 ILE N 2.256 E A 0061 HIS O
C A 0063 GLY N 2.236 C A 0062 ILE O
C A 0064 GLY N 2.262 C A 0063 GLY O
H A 0065 TYR N 2.243 C A 0064 GLY O
H A 0066 ASP N 2.248 H A 0065 TYR O
H A 0067 ASP N 2.259 H A 0066 ASP O
H A 0068 LEU N 3.047 C A 0064 GLY O
H A 0068 LEU N 2.990 H A 0065 TYR O
H A 0068 LEU N 2.260 H A 0067 ASP O
H A 0069 TYR N 2.840 H A 0065 TYR O
H A 0069 TYR N 2.223 H A 0068 LEU O
H A 0070 ALA N 3.086 H A 0066 ASP O
H A 0070 ALA N 2.251 H A 0069 TYR O
H A 0071 LEU N 2.833 H A 0067 ASP O
H A 0071 LEU N 3.087 H A 0068 LEU O
H A 0071 LEU N 2.248 H A 0070 ALA O
H A 0072 ASP N 2.654 H A 0068 LEU O
H A 0072 ASP N 2.227 H A 0071 LEU O
H A 0073 ALA N 2.869 H A 0069 TYR O
H A 0073 ALA N 2.251 H A 0072 ASP O
C A 0074 ARG N 2.867 H A 0070 ALA O
C A 0074 ARG N 3.183 H A 0072 ASP O
C A 0074 ARG N 2.245 H A 0073 ALA O
C A 0075 GLY N 2.786 H A 0072 ASP O
C A 0075 GLY N 2.247 C A 0074 ARG O
C A 0076 GLY N 2.810 H A 0071 LEU O
C A 0076 GLY N 2.244 C A 0075 GLY O
H A 0077 LEU N 2.971 H A 0071 LEU O
H A 0077 LEU N 2.262 C A 0076 GLY O
H A 0078 ASP N 2.259 H A 0077 LEU O
H A 0079 PRO N 2.238 H A 0078 ASP O
H A 0080 LEU N 3.061 H A 0077 LEU O
H A 0080 LEU N 2.241 H A 0079 PRO O
C A 0081 LEU N 3.087 H A 0078 ASP O
C A 0081 LEU N 2.245 H A 0080 LEU O
C A 0082 LYS N 2.246 C A 0081 LEU O
HB_MS 2.00 3.20 15
C A 0002 ASN N 2.770 C A 0058 ASP OD1
C A 0008 LYS N 3.122 H A 0014 SER OG
C A 0008 LYS O 2.945 H A 0014 SER OG
C A 0009 GLU O 2.706 H A 0015 HIS NE2
C A 0009 GLU N 2.848 C A 0034 ASP OD2
H A 0015 HIS N 3.157 H A 0014 SER OG
C A 0035 GLY N 2.860 C A 0034 ASP OD1
H A 0039 LYS O 2.790 E A 0006 TYR OH
H A 0040 ARG N 2.926 C A 0036 ASN OD1
H A 0041 GLU O 2.929 H A 0045 LYS NZ
C A 0049 ARG O 3.006 E A 0054 GLN NE2
C A 0051 THR N 3.151 C A 0050 THR OG1
C A 0051 THR O 2.788 E A 0054 GLN NE2
C A 0064 GLY N 2.919 H A 0067 ASP OD2
H A 0066 ASP N 3.147 H A 0013 TYR OH
HB_SS 2.00 3.20 4
E A 0004 GLU OE2 2.741 C A 0002 ASN ND2
H A 0047 SER OG 2.674 E A 0054 GLN OE1
E A 0061 HIS NE2 2.716 E A 0054 GLN OE1
H A 0066 ASP OD1 2.608 H A 0013 TYR OH
AROMATIC 0.00 8.00 5
H A 0016 ARG 6.794 H A 0013 TYR
H A 0013 TYR 5.793 H A 0065 TYR
H A 0016 ARG 7.395 H A 0065 TYR
H A 0018 LYS 3.105 E A 0028 PHE
C A 0024 LYS 6.724 H A 0069 TYR