Complet list of 1d8k con file
Complete list of 1d8k.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 328
C A 0001 ALA C 2.449 C A 0002 LEU CA
C A 0001 ALA C 3.002 C A 0002 LEU C
C A 0001 ALA C 3.721 C A 0002 LEU CB
C A 0002 LEU C 2.455 C A 0003 SER CA
C A 0002 LEU C 3.064 C A 0003 SER C
C A 0002 LEU C 3.716 C A 0003 SER CB
C A 0003 SER C 2.452 C A 0004 GLY CA
C A 0003 SER C 3.313 C A 0004 GLY C
C A 0004 GLY C 2.460 C A 0005 SER CA
C A 0004 GLY C 2.998 C A 0005 SER C
C A 0004 GLY C 3.720 C A 0005 SER CB
C A 0005 SER C 2.457 C A 0006 SER CA
C A 0005 SER C 2.913 C A 0006 SER C
C A 0005 SER C 3.709 C A 0006 SER CB
C A 0006 SER C 2.446 C A 0007 GLY CA
C A 0006 SER C 3.655 C A 0007 GLY C
C A 0007 GLY C 2.450 C A 0008 TYR CA
C A 0007 GLY C 3.229 C A 0008 TYR C
C A 0007 GLY C 3.662 C A 0008 TYR CB
C A 0007 GLY CA 3.798 H A 0011 GLY CA
C A 0008 TYR C 2.459 C A 0009 LYS CA
C A 0008 TYR C 3.708 C A 0009 LYS C
C A 0008 TYR C 3.027 C A 0009 LYS CB
C A 0008 TYR C 3.633 C A 0009 LYS CG
C A 0009 LYS C 2.454 H A 0010 PHE CA
C A 0009 LYS C 3.042 H A 0010 PHE C
C A 0009 LYS C 3.706 H A 0010 PHE CB
C A 0009 LYS C 3.764 H A 0053 TRP CZ3
C A 0009 LYS C 3.703 H A 0053 TRP CH2
C A 0009 LYS CG 3.620 H A 0053 TRP CE3
C A 0009 LYS CG 3.535 H A 0053 TRP CZ3
C A 0009 LYS CE 3.578 H A 0053 TRP CE2
C A 0009 LYS CE 3.619 H A 0053 TRP CZ2
H A 0010 PHE C 2.447 H A 0011 GLY CA
H A 0010 PHE C 2.989 H A 0011 GLY C
H A 0011 GLY C 2.448 H A 0012 VAL CA
H A 0011 GLY C 2.969 H A 0012 VAL C
H A 0011 GLY C 3.717 H A 0012 VAL CB
H A 0012 VAL C 2.448 H A 0013 LEU CA
H A 0012 VAL C 3.023 H A 0013 LEU C
H A 0012 VAL C 3.703 H A 0013 LEU CB
H A 0012 VAL CG1 3.686 H A 0016 ILE CD1
H A 0012 VAL CG1 3.703 C A 0043 HIS CD2
H A 0013 LEU C 2.441 H A 0014 ALA CA
H A 0013 LEU C 3.016 H A 0014 ALA C
H A 0013 LEU C 3.707 H A 0014 ALA CB
H A 0013 LEU CB 3.674 H A 0053 TRP CH2
H A 0013 LEU CD1 3.668 C A 0058 ALA CB
H A 0014 ALA C 2.437 H A 0015 LYS CA
H A 0014 ALA C 3.022 H A 0015 LYS C
H A 0014 ALA C 3.710 H A 0015 LYS CB
H A 0015 LYS C 2.441 H A 0016 ILE CA
H A 0015 LYS C 3.012 H A 0016 ILE C
H A 0015 LYS C 3.718 H A 0016 ILE CB
H A 0016 ILE C 2.447 H A 0017 VAL CA
H A 0016 ILE C 2.982 H A 0017 VAL C
H A 0016 ILE C 3.719 H A 0017 VAL CB
H A 0016 ILE CG2 3.620 H A 0037 ILE CG2
H A 0016 ILE CA 3.784 C A 0041 THR CG2
H A 0016 ILE CD1 3.628 H A 0054 LEU CD1
H A 0017 VAL C 2.445 H A 0018 ASN CA
H A 0017 VAL C 3.013 H A 0018 ASN C
H A 0017 VAL C 3.715 H A 0018 ASN CB
H A 0018 ASN C 2.446 H A 0019 TYR CA
H A 0018 ASN C 2.983 H A 0019 TYR C
H A 0018 ASN C 3.717 H A 0019 TYR CB
H A 0019 TYR C 2.451 H A 0020 MET CA
H A 0019 TYR C 2.960 H A 0020 MET C
H A 0019 TYR C 3.717 H A 0020 MET CB
H A 0019 TYR CE1 3.714 H A 0023 ARG CD
H A 0019 TYR CE1 3.731 H A 0040 GLU CB
H A 0019 TYR CE1 3.505 H A 0040 GLU CD
H A 0019 TYR CZ 3.799 H A 0040 GLU CB
H A 0019 TYR CZ 3.571 H A 0040 GLU CD
H A 0019 TYR CD2 3.594 C A 0041 THR CG2
H A 0020 MET C 2.439 H A 0021 LYS CA
H A 0020 MET C 2.974 H A 0021 LYS C
H A 0020 MET C 3.717 H A 0021 LYS CB
H A 0020 MET CE 3.789 E A 0073 ALA CA
H A 0020 MET CE 3.666 E A 0073 ALA C
H A 0021 LYS C 2.448 H A 0022 THR CA
H A 0021 LYS C 2.951 H A 0022 THR C
H A 0021 LYS C 3.699 H A 0022 THR CB
H A 0021 LYS CA 3.545 E A 0074 PHE CD2
H A 0021 LYS CA 3.382 E A 0074 PHE CE2
H A 0021 LYS CA 3.701 E A 0074 PHE CZ
H A 0021 LYS CB 3.332 E A 0074 PHE CE2
H A 0021 LYS CB 3.619 E A 0074 PHE CZ
H A 0021 LYS CG 3.664 E A 0074 PHE CZ
H A 0022 THR C 2.440 H A 0023 ARG CA
H A 0022 THR C 3.022 H A 0023 ARG C
H A 0022 THR C 3.714 H A 0023 ARG CB
H A 0023 ARG C 2.451 H A 0024 HIS CA
H A 0023 ARG C 3.031 H A 0024 HIS C
H A 0023 ARG C 3.698 H A 0024 HIS CB
H A 0023 ARG CG 3.402 C A 0028 ASP CB
H A 0024 HIS C 2.445 H A 0025 GLN CA
H A 0024 HIS C 3.079 H A 0025 GLN C
H A 0024 HIS C 3.695 H A 0025 GLN CB
H A 0024 HIS CG 3.693 C A 0029 THR CG2
H A 0024 HIS CE1 3.495 C A 0029 THR CB
H A 0024 HIS CE1 3.549 C A 0029 THR CG2
H A 0024 HIS CB 3.590 E A 0074 PHE CD1
H A 0024 HIS CG 3.210 E A 0074 PHE CD1
H A 0024 HIS CD2 3.354 E A 0074 PHE CD1
H A 0024 HIS CD2 3.656 E A 0074 PHE CE1
H A 0025 GLN C 2.450 C A 0026 ARG CA
H A 0025 GLN C 3.032 C A 0026 ARG C
H A 0025 GLN C 3.720 C A 0026 ARG CB
C A 0026 ARG C 2.441 C A 0027 GLY CA
C A 0026 ARG C 3.729 C A 0027 GLY C
C A 0027 GLY C 2.449 C A 0028 ASP CA
C A 0027 GLY C 3.138 C A 0028 ASP C
C A 0027 GLY C 3.695 C A 0028 ASP CB
C A 0028 ASP C 2.445 C A 0029 THR CA
C A 0028 ASP C 3.168 C A 0029 THR C
C A 0028 ASP C 3.691 C A 0029 THR CB
C A 0029 THR C 2.460 C A 0030 HIS CA
C A 0029 THR C 3.068 C A 0030 HIS C
C A 0029 THR C 3.721 C A 0030 HIS CB
C A 0030 HIS CA 2.868 C A 0031 PRO CD
C A 0030 HIS C 2.459 C A 0031 PRO CA
C A 0030 HIS C 3.117 C A 0031 PRO C
C A 0030 HIS C 3.672 C A 0031 PRO CB
C A 0030 HIS C 3.683 C A 0031 PRO CG
C A 0030 HIS C 2.469 C A 0031 PRO CD
C A 0030 HIS CB 3.364 C A 0031 PRO CD
C A 0030 HIS CE1 3.572 E A 0032 LEU CG
C A 0030 HIS CE1 3.468 E A 0032 LEU CD2
C A 0031 PRO C 2.460 E A 0032 LEU CA
C A 0031 PRO C 3.600 E A 0032 LEU C
C A 0031 PRO C 3.381 E A 0032 LEU CB
C A 0031 PRO C 3.582 E A 0032 LEU CG
C A 0031 PRO CA 3.673 E A 0073 ALA CB
E A 0032 LEU C 2.443 C A 0033 THR CA
E A 0032 LEU C 3.017 C A 0033 THR C
E A 0032 LEU C 3.731 C A 0033 THR CB
E A 0032 LEU CD2 3.628 H A 0036 GLU CD
E A 0032 LEU C 3.733 E A 0071 LYS CB
C A 0033 THR C 2.440 H A 0034 LEU CA
C A 0033 THR C 2.962 H A 0034 LEU C
C A 0033 THR C 3.714 H A 0034 LEU CB
C A 0033 THR CG2 3.660 E A 0071 LYS CD
H A 0034 LEU C 2.447 H A 0035 ASP CA
H A 0034 LEU C 3.012 H A 0035 ASP C
H A 0034 LEU C 3.711 H A 0035 ASP CB
H A 0034 LEU CD1 3.685 H A 0038 LEU CG
H A 0034 LEU CD1 3.705 H A 0038 LEU CD2
H A 0034 LEU CD2 3.677 C A 0059 LEU CD1
H A 0034 LEU CD2 3.607 E A 0072 TYR CE2
H A 0035 ASP C 2.453 H A 0036 GLU CA
H A 0035 ASP C 2.959 H A 0036 GLU C
H A 0035 ASP C 3.733 H A 0036 GLU CB
H A 0036 GLU C 2.439 H A 0037 ILE CA
H A 0036 GLU C 3.082 H A 0037 ILE C
H A 0036 GLU C 3.701 H A 0037 ILE CB
H A 0037 ILE C 2.461 H A 0038 LEU CA
H A 0037 ILE C 2.975 H A 0038 LEU C
H A 0037 ILE C 3.750 H A 0038 LEU CB
H A 0038 LEU C 2.448 H A 0039 ASP CA
H A 0038 LEU C 2.943 H A 0039 ASP C
H A 0038 LEU C 3.708 H A 0039 ASP CB
H A 0038 LEU CB 3.690 C A 0043 HIS C
H A 0038 LEU CD1 3.582 H A 0051 LYS CE
H A 0039 ASP C 2.445 H A 0040 GLU CA
H A 0039 ASP C 3.066 H A 0040 GLU C
H A 0039 ASP C 3.700 H A 0040 GLU CB
H A 0039 ASP CA 3.750 C A 0044 LEU CD1
H A 0040 GLU C 2.446 C A 0041 THR CA
H A 0040 GLU C 3.163 C A 0041 THR C
H A 0040 GLU C 3.689 C A 0041 THR CB
C A 0041 THR C 2.461 C A 0042 GLN CA
C A 0041 THR C 3.052 C A 0042 GLN C
C A 0041 THR C 2.989 C A 0042 GLN CB
C A 0041 THR C 3.773 C A 0043 HIS CE1
C A 0041 THR CB 3.274 C A 0043 HIS CD2
C A 0042 GLN C 2.454 C A 0043 HIS CA
C A 0042 GLN C 3.562 C A 0043 HIS C
C A 0042 GLN C 3.423 C A 0043 HIS CB
C A 0042 GLN C 3.431 C A 0043 HIS CG
C A 0043 HIS C 2.439 C A 0044 LEU CA
C A 0043 HIS C 3.040 C A 0044 LEU C
C A 0043 HIS C 3.713 C A 0044 LEU CB
C A 0044 LEU C 2.442 C A 0045 ASP CA
C A 0044 LEU C 3.025 C A 0045 ASP C
C A 0044 LEU C 3.710 C A 0045 ASP CB
C A 0045 ASP C 2.518 C A 0046 ILE CA
C A 0045 ASP C 3.074 C A 0046 ILE C
C A 0045 ASP C 3.299 C A 0046 ILE CB
C A 0045 ASP C 3.104 C A 0046 ILE CG2
C A 0046 ILE C 2.450 C A 0047 GLY CA
C A 0046 ILE C 3.514 C A 0047 GLY C
C A 0046 ILE CG1 3.183 H A 0050 GLN CB
C A 0046 ILE CD1 3.697 H A 0050 GLN C
C A 0046 ILE CD1 3.668 H A 0050 GLN CB
C A 0046 ILE CD1 3.507 H A 0051 LYS CA
C A 0046 ILE CD1 3.434 H A 0054 LEU CD1
C A 0047 GLY C 2.440 H A 0048 LEU CA
C A 0047 GLY C 2.948 H A 0048 LEU C
C A 0047 GLY C 3.709 H A 0048 LEU CB
H A 0048 LEU C 2.446 H A 0049 LYS CA
H A 0048 LEU C 3.003 H A 0049 LYS C
H A 0048 LEU C 3.716 H A 0049 LYS CB
H A 0049 LYS C 2.445 H A 0050 GLN CA
H A 0049 LYS C 3.059 H A 0050 GLN C
H A 0049 LYS C 3.706 H A 0050 GLN CB
H A 0050 GLN C 2.450 H A 0051 LYS CA
H A 0050 GLN C 2.939 H A 0051 LYS C
H A 0050 GLN C 3.733 H A 0051 LYS CB
H A 0051 LYS C 2.445 H A 0052 GLN CA
H A 0051 LYS C 2.979 H A 0052 GLN C
H A 0051 LYS C 3.714 H A 0052 GLN CB
H A 0052 GLN C 2.450 H A 0053 TRP CA
H A 0052 GLN C 2.953 H A 0053 TRP C
H A 0052 GLN C 3.726 H A 0053 TRP CB
H A 0053 TRP C 2.430 H A 0054 LEU CA
H A 0053 TRP C 2.990 H A 0054 LEU C
H A 0053 TRP C 3.716 H A 0054 LEU CB
H A 0053 TRP CE3 3.761 H A 0054 LEU CG
H A 0053 TRP CE3 3.591 H A 0054 LEU CD2
H A 0053 TRP CZ3 3.491 H A 0054 LEU CD2
H A 0053 TRP CD1 3.431 C A 0057 GLU CB
H A 0053 TRP CD1 3.379 C A 0057 GLU CD
H A 0054 LEU C 2.446 H A 0055 MET CA
H A 0054 LEU C 3.115 H A 0055 MET C
H A 0054 LEU C 3.696 H A 0055 MET CB
H A 0054 LEU CA 3.788 C A 0058 ALA CB
H A 0054 LEU CD2 3.512 C A 0058 ALA CB
H A 0055 MET C 2.460 C A 0056 THR CA
H A 0055 MET C 3.463 C A 0056 THR C
H A 0055 MET C 3.565 C A 0056 THR CB
H A 0055 MET C 3.621 C A 0060 VAL CG2
C A 0056 THR C 2.443 C A 0057 GLU CA
C A 0056 THR C 3.459 C A 0057 GLU C
C A 0056 THR C 3.519 C A 0057 GLU CB
C A 0056 THR CA 3.522 C A 0060 VAL CG2
C A 0056 THR C 3.622 C A 0060 VAL CB
C A 0056 THR C 3.244 C A 0060 VAL CG2
C A 0057 GLU C 2.448 C A 0058 ALA CA
C A 0057 GLU C 2.978 C A 0058 ALA C
C A 0057 GLU C 3.712 C A 0058 ALA CB
C A 0058 ALA C 2.445 C A 0059 LEU CA
C A 0058 ALA C 3.161 C A 0059 LEU C
C A 0058 ALA C 3.692 C A 0059 LEU CB
C A 0059 LEU C 2.450 C A 0060 VAL CA
C A 0059 LEU C 3.580 C A 0060 VAL C
C A 0059 LEU C 3.361 C A 0060 VAL CB
C A 0059 LEU C 3.227 C A 0060 VAL CG2
C A 0059 LEU CD2 3.753 E A 0065 ILE CG1
C A 0059 LEU CD2 3.791 E A 0065 ILE CD1
C A 0059 LEU CB 3.535 E A 0072 TYR CD1
C A 0060 VAL C 2.461 C A 0061 ASN CA
C A 0060 VAL C 3.473 C A 0061 ASN C
C A 0060 VAL C 3.551 C A 0061 ASN CB
C A 0061 ASN C 2.449 C A 0062 ASN CA
C A 0061 ASN C 3.020 C A 0062 ASN C
C A 0061 ASN C 3.725 C A 0062 ASN CB
C A 0062 ASN CA 2.886 C A 0063 PRO CD
C A 0062 ASN C 2.466 C A 0063 PRO CA
C A 0062 ASN C 3.083 C A 0063 PRO C
C A 0062 ASN C 3.689 C A 0063 PRO CB
C A 0062 ASN C 3.692 C A 0063 PRO CG
C A 0062 ASN C 2.473 C A 0063 PRO CD
C A 0062 ASN CG 3.697 C A 0063 PRO CD
C A 0063 PRO C 2.448 C A 0064 LYS CA
C A 0063 PRO C 3.289 C A 0064 LYS C
C A 0063 PRO C 3.644 C A 0064 LYS CB
C A 0063 PRO C 3.777 C A 0064 LYS CG
C A 0064 LYS C 2.453 E A 0065 ILE CA
C A 0064 LYS C 3.547 E A 0065 ILE C
C A 0064 LYS C 3.436 E A 0065 ILE CB
C A 0064 LYS C 3.429 E A 0065 ILE CG1
C A 0064 LYS C 3.715 C A 0075 LYS CB
E A 0065 ILE C 2.462 E A 0066 GLU CA
E A 0065 ILE C 3.564 E A 0066 GLU C
E A 0065 ILE C 3.408 E A 0066 GLU CB
E A 0065 ILE C 3.788 C A 0075 LYS CB
E A 0066 GLU C 2.442 E A 0067 VAL CA
E A 0066 GLU C 3.117 E A 0067 VAL C
E A 0066 GLU C 3.695 E A 0067 VAL CB
E A 0067 VAL C 2.453 E A 0068 ILE CA
E A 0067 VAL C 3.616 E A 0068 ILE C
E A 0067 VAL C 3.342 E A 0068 ILE CB
E A 0067 VAL C 3.220 E A 0068 ILE CG1
E A 0068 ILE C 2.466 C A 0069 ASP CA
E A 0068 ILE C 2.968 C A 0069 ASP C
E A 0068 ILE C 3.089 C A 0069 ASP CB
C A 0069 ASP C 2.447 C A 0070 GLY CA
C A 0069 ASP C 3.174 C A 0070 GLY C
C A 0070 GLY C 2.449 E A 0071 LYS CA
C A 0070 GLY C 3.073 E A 0071 LYS C
C A 0070 GLY C 3.722 E A 0071 LYS CB
E A 0071 LYS C 2.443 E A 0072 TYR CA
E A 0071 LYS C 3.553 E A 0072 TYR C
E A 0071 LYS C 3.391 E A 0072 TYR CB
E A 0071 LYS C 3.339 E A 0072 TYR CG
E A 0071 LYS C 3.452 E A 0072 TYR CD2
E A 0072 TYR C 2.458 E A 0073 ALA CA
E A 0072 TYR C 3.428 E A 0073 ALA C
E A 0072 TYR C 3.542 E A 0073 ALA CB
E A 0073 ALA C 2.441 E A 0074 PHE CA
E A 0073 ALA C 3.323 E A 0074 PHE C
E A 0073 ALA C 3.582 E A 0074 PHE CB
E A 0074 PHE C 2.441 C A 0075 LYS CA
E A 0074 PHE C 3.238 C A 0075 LYS C
E A 0074 PHE C 3.643 C A 0075 LYS CB
C A 0075 LYS CA 2.902 C A 0076 PRO CD
C A 0075 LYS C 2.447 C A 0076 PRO CA
C A 0075 LYS C 3.030 C A 0076 PRO C
C A 0075 LYS C 3.675 C A 0076 PRO CB
C A 0075 LYS C 3.691 C A 0076 PRO CG
C A 0075 LYS C 2.476 C A 0076 PRO CD
C A 0076 PRO C 2.445 C A 0077 LYS CA
C A 0076 PRO C 3.033 C A 0077 LYS C
C A 0076 PRO C 3.717 C A 0077 LYS CB
C A 0077 LYS C 2.451 C A 0078 TYR CA
C A 0077 LYS C 3.692 C A 0078 TYR C
C A 0077 LYS C 3.164 C A 0078 TYR CB
C A 0078 TYR C 2.479 C A 0079 ASN CA
C A 0078 TYR C 3.192 C A 0079 ASN C
C A 0078 TYR C 2.922 C A 0079 ASN CB
C A 0079 ASN C 2.445 C A 0080 VAL CA
C A 0079 ASN C 3.125 C A 0080 VAL C
C A 0079 ASN C 3.698 C A 0080 VAL CB
C A 0080 VAL C 2.453 C A 0081 ARG CA
C A 0080 VAL C 3.623 C A 0081 ARG C
C A 0080 VAL C 3.312 C A 0081 ARG CB
C A 0080 VAL C 3.186 C A 0081 ARG CG
CHARGE_ATTR 2.00 12.00 81
C A 0028 ASP OD1 6.610 H A 0023 ARG NH1
C A 0028 ASP OD1 4.878 H A 0023 ARG NH2
C A 0028 ASP OD2 4.656 H A 0023 ARG NH1
C A 0028 ASP OD2 2.719 H A 0023 ARG NH2
C A 0028 ASP OD1 9.357 H A 0024 HIS ND1
C A 0028 ASP OD1 10.71 H A 0024 HIS NE2
C A 0028 ASP OD2 9.758 H A 0024 HIS ND1
C A 0028 ASP OD2 11.44 H A 0024 HIS NE2
C A 0028 ASP OD1 7.139 C A 0026 ARG NH1
C A 0028 ASP OD1 6.087 C A 0026 ARG NH2
C A 0028 ASP OD2 7.091 C A 0026 ARG NH1
C A 0028 ASP OD2 6.376 C A 0026 ARG NH2
C A 0028 ASP OD1 5.344 C A 0030 HIS ND1
C A 0028 ASP OD1 6.423 C A 0030 HIS NE2
C A 0028 ASP OD2 4.181 C A 0030 HIS ND1
C A 0028 ASP OD2 4.739 C A 0030 HIS NE2
H A 0035 ASP OD1 11.42 C A 0043 HIS ND1
H A 0035 ASP OD1 2.739 H A 0051 LYS NZ
H A 0035 ASP OD2 4.458 H A 0051 LYS NZ
H A 0035 ASP OD2 11.85 E A 0071 LYS NZ
H A 0036 GLU OE1 7.786 H A 0023 ARG NH1
H A 0036 GLU OE1 7.993 H A 0023 ARG NH2
H A 0036 GLU OE2 7.179 H A 0023 ARG NH1
H A 0036 GLU OE2 7.071 H A 0023 ARG NH2
H A 0036 GLU OE1 7.715 C A 0030 HIS ND1
H A 0036 GLU OE1 5.963 C A 0030 HIS NE2
H A 0036 GLU OE2 7.767 C A 0030 HIS ND1
H A 0036 GLU OE2 5.713 C A 0030 HIS NE2
H A 0036 GLU OE1 11.73 H A 0051 LYS NZ
H A 0036 GLU OE1 6.833 E A 0071 LYS NZ
H A 0036 GLU OE2 7.991 E A 0071 LYS NZ
H A 0039 ASP OD2 11.32 H A 0015 LYS NZ
H A 0039 ASP OD1 9.684 H A 0023 ARG NH1
H A 0039 ASP OD1 11.22 H A 0023 ARG NH2
H A 0039 ASP OD2 7.671 H A 0023 ARG NH1
H A 0039 ASP OD2 9.261 H A 0023 ARG NH2
H A 0039 ASP OD2 11.44 C A 0026 ARG NH1
H A 0039 ASP OD2 11.96 C A 0030 HIS NE2
H A 0039 ASP OD1 10.44 C A 0043 HIS ND1
H A 0039 ASP OD1 11.46 C A 0043 HIS NE2
H A 0039 ASP OD2 10.60 C A 0043 HIS ND1
H A 0039 ASP OD2 11.22 C A 0043 HIS NE2
H A 0039 ASP OD1 10.74 H A 0051 LYS NZ
H A 0040 GLU OE1 10.82 H A 0015 LYS NZ
H A 0040 GLU OE2 10.07 H A 0015 LYS NZ
H A 0040 GLU OE1 2.709 H A 0023 ARG NH1
H A 0040 GLU OE1 4.812 H A 0023 ARG NH2
H A 0040 GLU OE2 2.953 H A 0023 ARG NH1
H A 0040 GLU OE2 4.878 H A 0023 ARG NH2
H A 0040 GLU OE1 7.700 C A 0026 ARG NH1
H A 0040 GLU OE1 8.577 C A 0026 ARG NH2
H A 0040 GLU OE2 5.610 C A 0026 ARG NH1
H A 0040 GLU OE2 6.640 C A 0026 ARG NH2
H A 0040 GLU OE1 8.367 C A 0030 HIS ND1
H A 0040 GLU OE1 7.796 C A 0030 HIS NE2
H A 0040 GLU OE2 8.884 C A 0030 HIS ND1
H A 0040 GLU OE2 8.719 C A 0030 HIS NE2
H A 0040 GLU OE1 11.79 C A 0043 HIS ND1
H A 0040 GLU OE1 11.40 C A 0043 HIS NE2
H A 0040 GLU OE2 11.80 C A 0043 HIS NE2
C A 0045 ASP OD1 9.958 C A 0043 HIS ND1
C A 0045 ASP OD2 8.453 C A 0043 HIS ND1
C A 0045 ASP OD2 10.43 C A 0043 HIS NE2
C A 0045 ASP OD1 9.446 H A 0051 LYS NZ
C A 0045 ASP OD2 9.538 H A 0051 LYS NZ
C A 0057 GLU OE1 5.173 C A 0009 LYS NZ
C A 0057 GLU OE2 4.374 C A 0009 LYS NZ
C A 0057 GLU OE1 10.51 H A 0049 LYS NZ
C A 0057 GLU OE2 11.56 H A 0049 LYS NZ
E A 0066 GLU OE1 10.45 H A 0024 HIS ND1
E A 0066 GLU OE1 10.85 H A 0024 HIS NE2
E A 0066 GLU OE2 8.921 H A 0024 HIS ND1
E A 0066 GLU OE2 9.150 H A 0024 HIS NE2
E A 0066 GLU OE1 11.62 C A 0064 LYS NZ
E A 0066 GLU OE2 11.31 C A 0064 LYS NZ
E A 0066 GLU OE1 2.702 C A 0075 LYS NZ
E A 0066 GLU OE2 2.648 C A 0075 LYS NZ
C A 0069 ASP OD2 11.83 C A 0030 HIS ND1
C A 0069 ASP OD2 10.87 C A 0030 HIS NE2
C A 0069 ASP OD1 4.848 E A 0071 LYS NZ
C A 0069 ASP OD2 2.624 E A 0071 LYS NZ
CHARGE_REPU 2.00 12.00 73
C A 0009 LYS NZ 8.874 H A 0049 LYS NZ
H A 0015 LYS NZ 10.84 H A 0021 LYS NZ
H A 0015 LYS NZ 11.48 C A 0026 ARG NH1
H A 0015 LYS NZ 6.882 C A 0043 HIS ND1
H A 0015 LYS NZ 5.857 C A 0043 HIS NE2
H A 0021 LYS NZ 10.37 H A 0024 HIS ND1
H A 0021 LYS NZ 10.19 H A 0024 HIS NE2
H A 0021 LYS NZ 10.95 C A 0026 ARG NH1
H A 0021 LYS NZ 8.212 C A 0064 LYS NZ
H A 0023 ARG NH1 11.14 H A 0024 HIS ND1
H A 0023 ARG NH2 11.02 H A 0024 HIS ND1
H A 0023 ARG NH1 6.611 C A 0026 ARG NH1
H A 0023 ARG NH1 7.093 C A 0026 ARG NH2
H A 0023 ARG NH2 7.087 C A 0026 ARG NH1
H A 0023 ARG NH2 6.848 C A 0026 ARG NH2
H A 0023 ARG NH1 6.028 C A 0030 HIS ND1
H A 0023 ARG NH1 5.771 C A 0030 HIS NE2
H A 0023 ARG NH2 4.853 C A 0030 HIS ND1
H A 0023 ARG NH2 4.494 C A 0030 HIS NE2
H A 0024 HIS ND1 11.90 C A 0026 ARG NH1
H A 0024 HIS ND1 7.917 C A 0030 HIS ND1
H A 0024 HIS ND1 10.07 C A 0030 HIS NE2
H A 0024 HIS NE2 9.965 C A 0030 HIS ND1
H A 0024 HIS ND1 9.850 C A 0064 LYS NZ
H A 0024 HIS NE2 9.068 C A 0064 LYS NZ
H A 0024 HIS ND1 10.50 C A 0075 LYS NZ
H A 0024 HIS NE2 10.33 C A 0075 LYS NZ
H A 0024 HIS NE2 11.99 C A 0081 ARG NH1
H A 0024 HIS NE2 10.51 C A 0081 ARG NH2
C A 0026 ARG NH1 10.26 C A 0030 HIS ND1
C A 0026 ARG NH1 11.06 C A 0030 HIS NE2
C A 0026 ARG NH2 10.15 C A 0030 HIS ND1
C A 0026 ARG NH2 10.84 C A 0030 HIS NE2
C A 0028 ASP OD1 11.90 H A 0036 GLU OE1
C A 0028 ASP OD1 11.17 H A 0036 GLU OE2
C A 0028 ASP OD2 9.821 H A 0036 GLU OE1
C A 0028 ASP OD2 9.032 H A 0036 GLU OE2
C A 0028 ASP OD2 11.91 H A 0039 ASP OD2
C A 0028 ASP OD1 9.266 H A 0040 GLU OE1
C A 0028 ASP OD1 8.536 H A 0040 GLU OE2
C A 0028 ASP OD2 7.331 H A 0040 GLU OE1
C A 0028 ASP OD2 6.950 H A 0040 GLU OE2
C A 0030 HIS ND1 9.874 E A 0071 LYS NZ
C A 0030 HIS NE2 8.624 E A 0071 LYS NZ
H A 0035 ASP OD1 9.098 H A 0036 GLU OE1
H A 0035 ASP OD1 10.09 H A 0036 GLU OE2
H A 0035 ASP OD2 8.036 H A 0036 GLU OE1
H A 0035 ASP OD2 9.090 H A 0036 GLU OE2
H A 0035 ASP OD1 9.141 H A 0039 ASP OD1
H A 0035 ASP OD1 10.23 H A 0039 ASP OD2
H A 0035 ASP OD2 10.10 H A 0039 ASP OD1
H A 0035 ASP OD2 11.06 H A 0039 ASP OD2
H A 0035 ASP OD1 11.80 H A 0040 GLU OE1
H A 0035 ASP OD1 11.32 C A 0045 ASP OD1
H A 0035 ASP OD1 11.47 C A 0045 ASP OD2
H A 0036 GLU OE1 10.46 H A 0039 ASP OD1
H A 0036 GLU OE1 9.821 H A 0039 ASP OD2
H A 0036 GLU OE2 9.711 H A 0039 ASP OD1
H A 0036 GLU OE2 8.966 H A 0039 ASP OD2
H A 0036 GLU OE1 7.814 H A 0040 GLU OE1
H A 0036 GLU OE1 9.836 H A 0040 GLU OE2
H A 0036 GLU OE2 7.284 H A 0040 GLU OE1
H A 0036 GLU OE2 9.193 H A 0040 GLU OE2
H A 0036 GLU OE1 11.39 C A 0069 ASP OD1
H A 0036 GLU OE1 9.289 C A 0069 ASP OD2
H A 0036 GLU OE2 10.58 C A 0069 ASP OD2
H A 0039 ASP OD1 7.197 H A 0040 GLU OE1
H A 0039 ASP OD1 8.418 H A 0040 GLU OE2
H A 0039 ASP OD2 5.198 H A 0040 GLU OE1
H A 0039 ASP OD2 6.238 H A 0040 GLU OE2
C A 0043 HIS ND1 11.03 H A 0051 LYS NZ
C A 0064 LYS NZ 10.51 C A 0075 LYS NZ
C A 0064 LYS NZ 6.821 C A 0077 LYS NZ
HB_MM 2.00 3.20 148
C A 0002 LEU N 2.256 C A 0001 ALA O
C A 0003 SER N 2.259 C A 0002 LEU O
C A 0004 GLY N 2.986 C A 0001 ALA O
C A 0004 GLY N 3.037 C A 0002 LEU O
C A 0004 GLY N 2.258 C A 0003 SER O
C A 0005 SER N 2.822 C A 0001 ALA O
C A 0005 SER N 3.186 C A 0002 LEU O
C A 0005 SER N 2.268 C A 0004 GLY O
C A 0006 SER N 3.180 C A 0004 GLY O
C A 0006 SER N 2.263 C A 0005 SER O
C A 0007 GLY N 3.132 C A 0004 GLY O
C A 0007 GLY N 3.168 C A 0005 SER O
C A 0007 GLY N 2.258 C A 0006 SER O
C A 0008 TYR N 3.190 C A 0004 GLY O
C A 0008 TYR N 2.256 C A 0007 GLY O
C A 0009 LYS N 2.247 C A 0008 TYR O
H A 0010 PHE N 2.259 C A 0009 LYS O
H A 0011 GLY N 2.249 H A 0010 PHE O
H A 0012 VAL N 2.258 H A 0011 GLY O
H A 0013 LEU N 3.025 C A 0009 LYS O
H A 0013 LEU N 2.255 H A 0012 VAL O
H A 0014 ALA N 2.778 H A 0010 PHE O
H A 0014 ALA N 2.246 H A 0013 LEU O
H A 0015 LYS N 2.949 H A 0011 GLY O
H A 0015 LYS N 2.255 H A 0014 ALA O
H A 0016 ILE N 2.995 H A 0012 VAL O
H A 0016 ILE N 2.255 H A 0015 LYS O
H A 0017 VAL N 2.844 H A 0013 LEU O
H A 0017 VAL N 2.250 H A 0016 ILE O
H A 0018 ASN N 2.863 H A 0014 ALA O
H A 0018 ASN N 2.256 H A 0017 VAL O
H A 0019 TYR N 2.847 H A 0015 LYS O
H A 0019 TYR N 2.253 H A 0018 ASN O
H A 0020 MET N 2.835 H A 0016 ILE O
H A 0020 MET N 2.256 H A 0019 TYR O
H A 0021 LYS N 2.880 H A 0017 VAL O
H A 0021 LYS N 2.254 H A 0020 MET O
H A 0022 THR N 2.914 H A 0018 ASN O
H A 0022 THR N 2.243 H A 0021 LYS O
H A 0023 ARG N 2.826 H A 0019 TYR O
H A 0023 ARG N 3.146 H A 0021 LYS O
H A 0023 ARG N 2.247 H A 0022 THR O
H A 0024 HIS N 2.866 H A 0020 MET O
H A 0024 HIS N 2.925 H A 0021 LYS O
H A 0024 HIS N 2.256 H A 0023 ARG O
H A 0025 GLN N 2.662 H A 0021 LYS O
H A 0025 GLN N 3.164 H A 0022 THR O
H A 0025 GLN N 2.246 H A 0024 HIS O
C A 0026 ARG N 2.886 H A 0022 THR O
C A 0026 ARG N 3.147 H A 0023 ARG O
C A 0026 ARG N 2.259 H A 0025 GLN O
C A 0027 GLY N 3.133 H A 0023 ARG O
C A 0027 GLY N 2.257 C A 0026 ARG O
C A 0028 ASP N 3.174 H A 0023 ARG O
C A 0028 ASP N 2.255 C A 0027 GLY O
C A 0029 THR N 2.783 C A 0027 GLY O
C A 0029 THR N 2.252 C A 0028 ASP O
C A 0030 HIS N 2.264 C A 0029 THR O
C A 0031 PRO N 2.264 C A 0030 HIS O
E A 0032 LEU N 2.262 C A 0031 PRO O
E A 0032 LEU N 2.883 E A 0072 TYR O
C A 0033 THR N 2.253 E A 0032 LEU O
H A 0034 LEU N 2.254 C A 0033 THR O
H A 0035 ASP N 2.248 H A 0034 LEU O
H A 0036 GLU N 2.258 H A 0035 ASP O
H A 0037 ILE N 2.941 H A 0034 LEU O
H A 0037 ILE N 3.183 H A 0035 ASP O
H A 0037 ILE N 2.252 H A 0036 GLU O
H A 0038 LEU N 3.021 H A 0034 LEU O
H A 0038 LEU N 3.032 H A 0035 ASP O
H A 0038 LEU N 2.263 H A 0037 ILE O
H A 0039 ASP N 3.017 H A 0035 ASP O
H A 0039 ASP N 2.249 H A 0038 LEU O
H A 0040 GLU N 2.252 H A 0039 ASP O
C A 0041 THR N 3.099 H A 0037 ILE O
C A 0041 THR N 3.171 H A 0038 LEU O
C A 0041 THR N 2.248 H A 0040 GLU O
C A 0042 GLN N 2.746 H A 0038 LEU O
C A 0042 GLN N 3.002 H A 0039 ASP O
C A 0042 GLN N 2.257 C A 0041 THR O
C A 0043 HIS N 2.826 H A 0038 LEU O
C A 0043 HIS N 2.260 C A 0042 GLN O
C A 0044 LEU N 2.239 C A 0043 HIS O
C A 0045 ASP N 2.258 C A 0044 LEU O
C A 0046 ILE N 2.283 C A 0045 ASP O
C A 0047 GLY N 2.517 C A 0045 ASP O
C A 0047 GLY N 2.245 C A 0046 ILE O
H A 0048 LEU N 2.246 C A 0047 GLY O
H A 0049 LYS N 3.199 C A 0047 GLY O
H A 0049 LYS N 2.250 H A 0048 LEU O
H A 0050 GLN N 3.020 C A 0047 GLY O
H A 0050 GLN N 2.253 H A 0049 LYS O
H A 0051 LYS N 2.828 C A 0047 GLY O
H A 0051 LYS N 2.252 H A 0050 GLN O
H A 0052 GLN N 2.831 H A 0048 LEU O
H A 0052 GLN N 2.255 H A 0051 LYS O
H A 0053 TRP N 2.891 H A 0049 LYS O
H A 0053 TRP N 3.042 H A 0050 GLN O
H A 0053 TRP N 2.260 H A 0052 GLN O
H A 0054 LEU N 2.877 H A 0050 GLN O
H A 0054 LEU N 2.243 H A 0053 TRP O
H A 0055 MET N 2.903 H A 0051 LYS O
H A 0055 MET N 2.999 H A 0052 GLN O
H A 0055 MET N 2.253 H A 0054 LEU O
C A 0056 THR N 2.964 H A 0052 GLN O
C A 0056 THR N 2.256 H A 0055 MET O
C A 0057 GLU N 2.751 H A 0053 TRP O
C A 0057 GLU N 2.250 C A 0056 THR O
C A 0058 ALA N 3.192 H A 0053 TRP O
C A 0058 ALA N 2.253 C A 0057 GLU O
C A 0059 LEU N 2.830 H A 0054 LEU O
C A 0059 LEU N 2.244 C A 0058 ALA O
C A 0060 VAL N 3.083 C A 0057 GLU O
C A 0060 VAL N 2.802 C A 0058 ALA O
C A 0060 VAL N 2.255 C A 0059 LEU O
C A 0061 ASN N 2.854 C A 0057 GLU O
C A 0061 ASN N 2.264 C A 0060 VAL O
C A 0062 ASN N 2.898 C A 0058 ALA O
C A 0062 ASN N 2.256 C A 0061 ASN O
C A 0063 PRO N 2.264 C A 0062 ASN O
C A 0064 LYS N 3.148 C A 0062 ASN O
C A 0064 LYS N 2.249 C A 0063 PRO O
E A 0065 ILE N 3.051 C A 0062 ASN O
E A 0065 ILE N 2.259 C A 0064 LYS O
E A 0066 GLU N 2.266 E A 0065 ILE O
E A 0066 GLU N 2.873 E A 0073 ALA O
E A 0067 VAL N 2.249 E A 0066 GLU O
E A 0068 ILE N 2.262 E A 0067 VAL O
E A 0068 ILE N 2.968 E A 0071 LYS O
C A 0069 ASP N 2.266 E A 0068 ILE O
C A 0070 GLY N 2.250 C A 0069 ASP O
E A 0071 LYS N 2.909 E A 0068 ILE O
E A 0071 LYS N 2.846 C A 0069 ASP O
E A 0071 LYS N 2.259 C A 0070 GLY O
E A 0072 TYR N 2.863 E A 0032 LEU O
E A 0072 TYR N 2.259 E A 0071 LYS O
E A 0073 ALA N 2.808 E A 0066 GLU O
E A 0073 ALA N 2.262 E A 0072 TYR O
E A 0074 PHE N 2.252 E A 0073 ALA O
C A 0075 LYS N 2.938 C A 0064 LYS O
C A 0075 LYS N 2.258 E A 0074 PHE O
C A 0076 PRO N 2.260 C A 0075 LYS O
C A 0077 LYS N 2.257 C A 0076 PRO O
C A 0078 TYR N 2.256 C A 0077 LYS O
C A 0079 ASN N 2.264 C A 0078 TYR O
C A 0080 VAL N 2.255 C A 0079 ASN O
C A 0081 ARG N 2.868 C A 0079 ASN O
C A 0081 ARG N 2.261 C A 0080 VAL O
HB_MS 2.00 3.20 13
C A 0003 SER O 2.827 C A 0006 SER OG
C A 0007 GLY N 2.926 C A 0006 SER OG
H A 0018 ASN O 2.830 H A 0022 THR OG1
C A 0033 THR N 2.783 H A 0036 GLU OE1
H A 0037 ILE O 2.785 C A 0041 THR OG1
H A 0038 LEU O 2.922 C A 0041 THR OG1
C A 0041 THR O 3.033 C A 0043 HIS ND1
C A 0042 GLN O 2.813 C A 0043 HIS ND1
C A 0046 ILE O 2.834 H A 0050 GLN NE2
H A 0055 MET O 3.124 E A 0072 TYR OH
C A 0062 ASN N 2.798 C A 0061 ASN OD1
C A 0064 LYS N 2.770 C A 0062 ASN OD1
C A 0080 VAL N 2.893 C A 0079 ASN OD1
HB_SS 2.00 3.20 4
H A 0023 ARG NH1 2.848 H A 0019 TYR OH
H A 0036 GLU OE1 2.732 C A 0033 THR OG1
H A 0040 GLU OE1 2.641 H A 0019 TYR OH
C A 0057 GLU OE2 2.727 H A 0053 TRP NE1
AROMATIC 0.00 8.00 6
C A 0009 LYS 6.276 H A 0010 PHE
H A 0023 ARG 5.124 C A 0030 HIS
C A 0009 LYS 4.209 H A 0053 TRP
C A 0064 LYS 5.603 E A 0074 PHE
H A 0023 ARG 5.253 H A 0019 TYR
C A 0026 ARG 7.479 H A 0019 TYR