Complet list of 1dvh con file
Complete list of 1dvh.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 321
C A 0001 ALA C 2.438 H A 0002 ASP CA
C A 0001 ALA C 3.033 H A 0002 ASP C
C A 0001 ALA C 3.724 H A 0002 ASP CB
H A 0002 ASP C 2.451 H A 0003 GLY CA
H A 0002 ASP C 2.993 H A 0003 GLY C
H A 0003 GLY C 2.437 H A 0004 ALA CA
H A 0003 GLY C 2.948 H A 0004 ALA C
H A 0003 GLY C 3.720 H A 0004 ALA CB
H A 0003 GLY CA 3.720 H A 0071 ALA C
H A 0003 GLY CA 3.688 H A 0075 TYR CB
H A 0003 GLY C 3.587 H A 0075 TYR CB
H A 0003 GLY C 3.757 H A 0075 TYR CG
H A 0004 ALA C 2.439 H A 0005 ALA CA
H A 0004 ALA C 3.013 H A 0005 ALA C
H A 0004 ALA C 3.719 H A 0005 ALA CB
H A 0004 ALA CA 3.596 H A 0075 TYR CG
H A 0004 ALA CA 3.639 H A 0075 TYR CD2
H A 0004 ALA CB 3.798 H A 0075 TYR CD1
H A 0005 ALA C 2.436 H A 0006 LEU CA
H A 0005 ALA C 2.989 H A 0006 LEU C
H A 0005 ALA C 3.671 H A 0006 LEU CB
H A 0006 LEU C 2.459 H A 0007 TYR CA
H A 0006 LEU C 3.249 H A 0007 TYR C
H A 0006 LEU C 3.692 H A 0007 TYR CB
H A 0006 LEU CD2 3.602 C A 0064 TYR CE1
H A 0006 LEU CD2 3.655 H A 0068 GLU CD
H A 0006 LEU C 3.532 H A 0072 LEU CD2
H A 0006 LEU CB 3.570 H A 0072 LEU CG
H A 0006 LEU CB 3.395 H A 0072 LEU CD2
H A 0007 TYR C 2.470 H A 0008 LYS CA
H A 0007 TYR C 3.027 H A 0008 LYS C
H A 0007 TYR C 3.721 H A 0008 LYS CB
H A 0007 TYR CD1 3.382 H A 0010 CYS CB
H A 0007 TYR CE1 3.178 H A 0010 CYS CB
H A 0007 TYR CZ 3.484 H A 0010 CYS CB
H A 0007 TYR CD2 3.388 C A 0011 ILE CD1
H A 0007 TYR CA 3.445 H A 0072 LEU CD2
H A 0007 TYR CB 3.353 H A 0072 LEU CD2
H A 0007 TYR CD1 3.527 H A 0072 LEU CD2
H A 0007 TYR CD2 3.756 H A 0076 MET CG
H A 0007 TYR CE1 3.663 H A 0076 MET CG
H A 0007 TYR CE2 3.411 H A 0076 MET CG
H A 0007 TYR CZ 3.495 H A 0076 MET CG
H A 0008 LYS C 2.453 H A 0009 SER CA
H A 0008 LYS C 3.145 H A 0009 SER C
H A 0008 LYS C 3.679 H A 0009 SER CB
H A 0009 SER C 2.492 H A 0010 CYS CA
H A 0009 SER C 3.065 H A 0010 CYS C
H A 0009 SER C 3.697 H A 0010 CYS CB
H A 0010 CYS CA 3.776 C A 0011 ILE CA
H A 0010 CYS C 2.467 C A 0011 ILE CA
H A 0010 CYS C 2.934 C A 0011 ILE C
H A 0010 CYS C 3.718 C A 0011 ILE CB
C A 0011 ILE C 2.459 C A 0012 GLY CA
C A 0011 ILE C 3.050 C A 0012 GLY C
C A 0012 GLY C 2.455 C A 0013 CYS CA
C A 0012 GLY C 3.267 C A 0013 CYS C
C A 0012 GLY C 3.702 C A 0013 CYS CB
C A 0013 CYS C 2.462 C A 0014 HIS CA
C A 0013 CYS C 3.221 C A 0014 HIS C
C A 0013 CYS C 3.585 C A 0014 HIS CB
C A 0014 HIS C 2.449 C A 0015 GLY CA
C A 0014 HIS C 3.233 C A 0015 GLY C
C A 0014 HIS C 3.622 C A 0020 LYS CB
C A 0014 HIS CE1 3.751 C A 0022 ALA CB
C A 0014 HIS CE1 3.372 C A 0029 VAL CG2
C A 0015 GLY C 2.477 C A 0016 ALA CA
C A 0015 GLY C 2.978 C A 0016 ALA C
C A 0015 GLY C 3.719 C A 0016 ALA CB
C A 0016 ALA C 2.489 C A 0017 ASP CA
C A 0016 ALA C 3.351 C A 0017 ASP C
C A 0016 ALA C 3.653 C A 0017 ASP CB
C A 0017 ASP C 2.477 C A 0018 GLY CA
C A 0017 ASP C 3.019 C A 0018 GLY C
C A 0017 ASP CG 3.556 C A 0019 SER CB
C A 0017 ASP C 3.738 H A 0079 LEU CG
C A 0018 GLY C 2.464 C A 0019 SER CA
C A 0018 GLY C 3.438 C A 0019 SER C
C A 0018 GLY C 3.564 C A 0019 SER CB
C A 0018 GLY CA 3.589 H A 0079 LEU CD2
C A 0019 SER C 2.424 C A 0020 LYS CA
C A 0019 SER C 2.963 C A 0020 LYS C
C A 0019 SER C 3.706 C A 0020 LYS CB
C A 0020 LYS C 2.442 C A 0021 ALA CA
C A 0020 LYS C 3.002 C A 0021 ALA C
C A 0020 LYS C 3.706 C A 0021 ALA CB
C A 0020 LYS CD 3.528 C A 0021 ALA C
C A 0021 ALA C 2.474 C A 0022 ALA CA
C A 0021 ALA C 2.985 C A 0022 ALA C
C A 0021 ALA C 3.716 C A 0022 ALA CB
C A 0021 ALA CB 3.718 C A 0025 SER C
C A 0022 ALA C 2.556 C A 0023 MET CA
C A 0022 ALA C 3.062 C A 0023 MET C
C A 0022 ALA C 3.438 C A 0023 MET CB
C A 0022 ALA CB 3.727 C A 0026 ALA CB
C A 0023 MET C 2.451 C A 0024 GLY CA
C A 0023 MET C 2.940 C A 0024 GLY C
C A 0023 MET CB 3.769 C A 0053 ARG CD
C A 0024 GLY C 2.553 C A 0025 SER CA
C A 0024 GLY C 3.604 C A 0025 SER C
C A 0024 GLY C 3.006 C A 0025 SER CB
C A 0024 GLY CA 3.776 C A 0052 GLU CD
C A 0024 GLY C 3.421 C A 0052 GLU CD
C A 0025 SER C 2.418 C A 0026 ALA CA
C A 0025 SER C 3.005 C A 0026 ALA C
C A 0025 SER C 3.695 C A 0026 ALA CB
C A 0026 ALA CA 3.791 C A 0027 LYS CA
C A 0026 ALA C 2.434 C A 0027 LYS CA
C A 0026 ALA C 2.864 C A 0027 LYS C
C A 0026 ALA C 3.711 C A 0027 LYS CB
C A 0027 LYS CA 3.007 C A 0028 PRO CD
C A 0027 LYS C 2.470 C A 0028 PRO CA
C A 0027 LYS C 2.894 C A 0028 PRO C
C A 0027 LYS C 3.652 C A 0028 PRO CB
C A 0027 LYS C 3.696 C A 0028 PRO CG
C A 0027 LYS C 2.498 C A 0028 PRO CD
C A 0028 PRO C 2.459 C A 0029 VAL CA
C A 0028 PRO C 3.005 C A 0029 VAL C
C A 0028 PRO C 3.736 C A 0029 VAL CB
C A 0029 VAL C 2.468 C A 0030 LYS CA
C A 0029 VAL C 2.996 C A 0030 LYS C
C A 0029 VAL C 3.746 C A 0030 LYS CB
C A 0029 VAL CG1 3.572 H A 0076 MET CG
C A 0029 VAL CG1 3.690 H A 0079 LEU CD2
C A 0030 LYS CA 3.757 C A 0031 GLY CA
C A 0030 LYS C 2.446 C A 0031 GLY CA
C A 0030 LYS C 3.074 C A 0031 GLY C
C A 0030 LYS CA 3.364 H A 0079 LEU CD2
C A 0030 LYS CB 3.780 H A 0079 LEU CD2
C A 0030 LYS CG 3.698 H A 0079 LEU CB
C A 0031 GLY CA 3.795 C A 0032 GLN CA
C A 0031 GLY C 2.419 C A 0032 GLN CA
C A 0031 GLY C 2.901 C A 0032 GLN C
C A 0031 GLY C 3.743 C A 0032 GLN CB
C A 0032 GLN C 2.515 C A 0033 GLY CA
C A 0032 GLN C 3.602 C A 0033 GLY C
C A 0032 GLN CB 3.629 H A 0037 LEU CG
C A 0032 GLN CB 3.623 H A 0037 LEU CD2
C A 0033 GLY C 2.472 H A 0034 ALA CA
C A 0033 GLY C 2.958 H A 0034 ALA C
C A 0033 GLY C 3.726 H A 0034 ALA CB
C A 0033 GLY C 3.630 H A 0037 LEU CD1
H A 0034 ALA C 2.435 H A 0035 GLU CA
H A 0034 ALA C 2.982 H A 0035 GLU C
H A 0034 ALA C 3.708 H A 0035 GLU CB
H A 0034 ALA CA 3.656 H A 0077 SER CB
H A 0034 ALA CB 3.596 H A 0077 SER CB
H A 0035 GLU C 2.479 H A 0036 GLU CA
H A 0035 GLU C 3.006 H A 0036 GLU C
H A 0035 GLU C 3.703 H A 0036 GLU CB
H A 0036 GLU CA 3.788 H A 0037 LEU CA
H A 0036 GLU C 2.475 H A 0037 LEU CA
H A 0036 GLU C 2.950 H A 0037 LEU C
H A 0036 GLU C 3.690 H A 0037 LEU CB
H A 0037 LEU C 2.448 H A 0038 TYR CA
H A 0037 LEU C 3.097 H A 0038 TYR C
H A 0037 LEU C 3.700 H A 0038 TYR CB
H A 0037 LEU CB 3.567 H A 0073 ALA CB
H A 0037 LEU CD1 3.650 H A 0076 MET C
H A 0037 LEU CD1 3.567 H A 0076 MET CB
H A 0037 LEU CD1 3.627 H A 0077 SER CA
H A 0038 TYR C 2.441 H A 0039 LYS CA
H A 0038 TYR C 2.952 H A 0039 LYS C
H A 0038 TYR C 3.693 H A 0039 LYS CB
H A 0038 TYR CE1 3.759 H A 0069 LEU CB
H A 0038 TYR CE2 3.793 H A 0070 LYS CG
H A 0038 TYR CZ 3.609 H A 0070 LYS CB
H A 0038 TYR CB 3.761 H A 0073 ALA CB
H A 0039 LYS CA 3.796 H A 0040 LYS CA
H A 0039 LYS C 2.439 H A 0040 LYS CA
H A 0039 LYS C 3.086 H A 0040 LYS C
H A 0039 LYS C 3.639 H A 0040 LYS CB
H A 0040 LYS C 2.437 H A 0041 MET CA
H A 0040 LYS C 2.992 H A 0041 MET C
H A 0040 LYS C 3.735 H A 0041 MET CB
H A 0040 LYS CB 3.712 C A 0049 TYR CE2
H A 0040 LYS CG 3.626 C A 0049 TYR CE2
H A 0041 MET C 2.444 H A 0042 LYS CA
H A 0041 MET C 2.925 H A 0042 LYS C
H A 0041 MET C 3.723 H A 0042 LYS CB
H A 0041 MET CE 3.747 H A 0072 LEU CB
H A 0041 MET CE 3.701 H A 0073 ALA CB
H A 0041 MET CE 3.309 H A 0076 MET CE
H A 0042 LYS C 2.456 H A 0043 GLY CA
H A 0042 LYS C 2.935 H A 0043 GLY C
H A 0043 GLY C 2.431 H A 0044 TYR CA
H A 0043 GLY C 3.086 H A 0044 TYR C
H A 0043 GLY C 3.710 H A 0044 TYR CB
H A 0043 GLY CA 3.661 C A 0049 TYR CB
H A 0043 GLY C 3.684 C A 0049 TYR CB
H A 0044 TYR C 2.470 H A 0045 ALA CA
H A 0044 TYR C 2.967 H A 0045 ALA C
H A 0044 TYR C 3.745 H A 0045 ALA CB
H A 0044 TYR CD1 3.759 C A 0049 TYR CD2
H A 0044 TYR CE1 3.750 C A 0049 TYR C
H A 0044 TYR CE1 3.378 C A 0049 TYR CD2
H A 0044 TYR CE2 3.690 C A 0049 TYR CD2
H A 0044 TYR CE2 3.745 C A 0049 TYR CE2
H A 0044 TYR CZ 3.353 C A 0049 TYR CD2
H A 0044 TYR CZ 3.401 C A 0049 TYR CE2
H A 0044 TYR CE1 3.718 C A 0050 GLY CA
H A 0044 TYR CE1 3.606 C A 0050 GLY C
H A 0044 TYR CE1 3.660 C A 0054 LYS CB
H A 0044 TYR CD2 3.602 H A 0057 MET CE
H A 0045 ALA C 2.466 C A 0046 ASP CA
H A 0045 ALA C 3.270 C A 0046 ASP C
H A 0045 ALA C 3.682 C A 0046 ASP CB
H A 0045 ALA CA 3.623 H A 0061 VAL CG1
H A 0045 ALA CB 3.723 H A 0069 LEU CD1
C A 0046 ASP C 2.486 C A 0047 GLY CA
C A 0046 ASP C 3.436 C A 0047 GLY C
C A 0047 GLY C 2.480 C A 0048 SER CA
C A 0047 GLY C 3.421 C A 0048 SER C
C A 0047 GLY C 3.598 C A 0048 SER CB
C A 0048 SER C 2.469 C A 0049 TYR CA
C A 0048 SER C 3.657 C A 0049 TYR C
C A 0048 SER C 3.234 C A 0049 TYR CB
C A 0049 TYR C 2.456 C A 0050 GLY CA
C A 0049 TYR C 3.641 C A 0050 GLY C
C A 0050 GLY C 2.484 C A 0051 GLY CA
C A 0050 GLY C 3.685 C A 0051 GLY C
C A 0050 GLY CA 3.696 C A 0054 LYS CB
C A 0051 GLY C 2.492 C A 0052 GLU CA
C A 0051 GLY C 3.021 C A 0052 GLU C
C A 0051 GLY C 3.723 C A 0052 GLU CB
C A 0052 GLU C 2.463 C A 0053 ARG CA
C A 0052 GLU C 3.543 C A 0053 ARG C
C A 0052 GLU C 3.481 C A 0053 ARG CB
C A 0052 GLU C 3.425 C A 0053 ARG CG
C A 0053 ARG C 2.464 C A 0054 LYS CA
C A 0053 ARG C 2.988 C A 0054 LYS C
C A 0053 ARG C 3.726 C A 0054 LYS CB
C A 0054 LYS C 2.461 H A 0055 ALA CA
C A 0054 LYS C 3.061 H A 0055 ALA C
C A 0054 LYS C 3.720 H A 0055 ALA CB
H A 0055 ALA C 2.452 H A 0056 MET CA
H A 0055 ALA C 2.932 H A 0056 MET C
H A 0055 ALA C 3.735 H A 0056 MET CB
H A 0056 MET CA 3.792 H A 0057 MET CA
H A 0056 MET C 2.446 H A 0057 MET CA
H A 0056 MET C 2.962 H A 0057 MET C
H A 0056 MET C 3.706 H A 0057 MET CB
H A 0057 MET C 2.475 H A 0058 THR CA
H A 0057 MET C 2.947 H A 0058 THR C
H A 0057 MET C 3.720 H A 0058 THR CB
H A 0057 MET CE 3.263 H A 0061 VAL CG2
H A 0058 THR C 2.448 H A 0059 ASN CA
H A 0058 THR C 2.985 H A 0059 ASN C
H A 0058 THR C 3.742 H A 0059 ASN CB
H A 0059 ASN C 2.436 H A 0060 ALA CA
H A 0059 ASN C 3.019 H A 0060 ALA C
H A 0059 ASN C 3.704 H A 0060 ALA CB
H A 0060 ALA C 2.489 H A 0061 VAL CA
H A 0060 ALA C 3.033 H A 0061 VAL C
H A 0060 ALA C 3.706 H A 0061 VAL CB
H A 0061 VAL C 2.471 C A 0062 LYS CA
H A 0061 VAL C 2.993 C A 0062 LYS C
H A 0061 VAL C 3.721 C A 0062 LYS CB
C A 0062 LYS C 2.465 C A 0063 LYS CA
C A 0062 LYS C 3.066 C A 0063 LYS C
C A 0062 LYS C 3.704 C A 0063 LYS CB
C A 0063 LYS C 2.468 C A 0064 TYR CA
C A 0063 LYS C 3.332 C A 0064 TYR C
C A 0063 LYS C 3.585 C A 0064 TYR CB
C A 0063 LYS C 3.784 C A 0064 TYR CG
C A 0064 TYR C 2.507 C A 0065 SER CA
C A 0064 TYR C 3.672 C A 0065 SER C
C A 0064 TYR C 3.199 C A 0065 SER CB
C A 0064 TYR CB 3.790 H A 0068 GLU CB
C A 0064 TYR CB 3.451 H A 0069 LEU CD2
C A 0064 TYR CD2 3.519 H A 0072 LEU CD1
C A 0064 TYR CE2 3.539 H A 0072 LEU CD1
C A 0064 TYR CZ 3.766 H A 0072 LEU CD1
C A 0065 SER C 2.513 H A 0066 ASP CA
C A 0065 SER C 3.016 H A 0066 ASP C
C A 0065 SER C 3.686 H A 0066 ASP CB
C A 0065 SER C 3.625 H A 0069 LEU CG
H A 0066 ASP C 2.464 H A 0067 GLU CA
H A 0066 ASP C 3.086 H A 0067 GLU C
H A 0066 ASP C 3.709 H A 0067 GLU CB
H A 0067 GLU C 2.450 H A 0068 GLU CA
H A 0067 GLU C 2.998 H A 0068 GLU C
H A 0067 GLU C 3.713 H A 0068 GLU CB
H A 0068 GLU C 2.454 H A 0069 LEU CA
H A 0068 GLU C 3.005 H A 0069 LEU C
H A 0068 GLU C 3.725 H A 0069 LEU CB
H A 0069 LEU C 2.442 H A 0070 LYS CA
H A 0069 LEU C 2.957 H A 0070 LYS C
H A 0069 LEU C 3.726 H A 0070 LYS CB
H A 0070 LYS C 2.435 H A 0071 ALA CA
H A 0070 LYS C 2.995 H A 0071 ALA C
H A 0070 LYS C 3.709 H A 0071 ALA CB
H A 0071 ALA CA 3.800 H A 0072 LEU CA
H A 0071 ALA C 2.419 H A 0072 LEU CA
H A 0071 ALA C 2.962 H A 0072 LEU C
H A 0071 ALA C 3.679 H A 0072 LEU CB
H A 0072 LEU C 2.429 H A 0073 ALA CA
H A 0072 LEU C 2.970 H A 0073 ALA C
H A 0072 LEU C 3.721 H A 0073 ALA CB
H A 0072 LEU C 3.644 H A 0076 MET CE
H A 0073 ALA C 2.440 H A 0074 ASP CA
H A 0073 ALA C 2.896 H A 0074 ASP C
H A 0073 ALA C 3.729 H A 0074 ASP CB
H A 0074 ASP C 2.428 H A 0075 TYR CA
H A 0074 ASP C 2.952 H A 0075 TYR C
H A 0074 ASP C 3.735 H A 0075 TYR CB
H A 0075 TYR C 2.460 H A 0076 MET CA
H A 0075 TYR C 3.011 H A 0076 MET C
H A 0075 TYR C 3.705 H A 0076 MET CB
H A 0075 TYR CE2 3.648 H A 0079 LEU CD1
H A 0075 TYR CZ 3.790 H A 0079 LEU CD1
H A 0076 MET C 2.443 H A 0077 SER CA
H A 0076 MET C 3.097 H A 0077 SER C
H A 0076 MET C 3.717 H A 0077 SER CB
H A 0077 SER C 2.467 H A 0078 LYS CA
H A 0077 SER C 3.350 H A 0078 LYS C
H A 0077 SER C 3.594 H A 0078 LYS CB
H A 0077 SER C 3.787 H A 0078 LYS CG
H A 0078 LYS C 2.528 H A 0079 LEU CA
H A 0078 LYS C 3.119 H A 0079 LEU C
H A 0078 LYS C 3.194 H A 0079 LEU CB
CHARGE_ATTR 2.00 12.00 56
H A 0002 ASP OD1 10.77 H A 0008 LYS NZ
H A 0002 ASP OD2 8.792 H A 0008 LYS NZ
H A 0002 ASP OD2 11.30 C A 0063 LYS NZ
H A 0002 ASP OD1 7.815 H A 0078 LYS NZ
H A 0002 ASP OD2 9.677 H A 0078 LYS NZ
C A 0017 ASP OD1 8.509 C A 0014 HIS ND1
C A 0017 ASP OD1 10.54 C A 0014 HIS NE2
C A 0017 ASP OD2 10.50 C A 0014 HIS ND1
C A 0017 ASP OD1 8.975 C A 0020 LYS NZ
C A 0017 ASP OD2 10.65 C A 0020 LYS NZ
C A 0017 ASP OD1 7.708 C A 0030 LYS NZ
C A 0017 ASP OD2 7.228 C A 0030 LYS NZ
H A 0035 GLU OE1 3.643 H A 0039 LYS NZ
H A 0035 GLU OE2 3.775 H A 0039 LYS NZ
H A 0035 GLU OE1 6.381 H A 0040 LYS NZ
H A 0035 GLU OE2 7.201 H A 0040 LYS NZ
H A 0035 GLU OE2 11.15 H A 0042 LYS NZ
H A 0035 GLU OE1 10.77 H A 0070 LYS NZ
H A 0035 GLU OE2 10.01 H A 0070 LYS NZ
H A 0036 GLU OE1 9.533 C A 0027 LYS NZ
H A 0036 GLU OE2 8.683 C A 0027 LYS NZ
H A 0036 GLU OE1 4.823 H A 0039 LYS NZ
H A 0036 GLU OE2 3.297 H A 0039 LYS NZ
H A 0036 GLU OE1 4.880 H A 0040 LYS NZ
H A 0036 GLU OE2 2.897 H A 0040 LYS NZ
C A 0046 ASP OD1 6.877 H A 0042 LYS NZ
C A 0046 ASP OD2 4.664 H A 0042 LYS NZ
C A 0046 ASP OD1 8.632 C A 0054 LYS NZ
C A 0046 ASP OD2 10.66 C A 0054 LYS NZ
C A 0046 ASP OD1 7.632 C A 0062 LYS NZ
C A 0046 ASP OD2 8.494 C A 0062 LYS NZ
C A 0052 GLU OE1 9.775 C A 0014 HIS ND1
C A 0052 GLU OE1 9.797 C A 0014 HIS NE2
C A 0052 GLU OE2 11.92 C A 0014 HIS ND1
C A 0052 GLU OE2 11.97 C A 0014 HIS NE2
C A 0052 GLU OE1 11.02 C A 0020 LYS NZ
C A 0052 GLU OE1 6.979 C A 0027 LYS NZ
C A 0052 GLU OE2 8.539 C A 0027 LYS NZ
C A 0052 GLU OE1 9.283 C A 0053 ARG NH1
C A 0052 GLU OE1 10.53 C A 0053 ARG NH2
C A 0052 GLU OE2 10.02 C A 0053 ARG NH1
C A 0052 GLU OE2 11.14 C A 0053 ARG NH2
H A 0066 ASP OD1 8.111 H A 0042 LYS NZ
H A 0066 ASP OD2 7.392 H A 0042 LYS NZ
H A 0066 ASP OD1 10.37 H A 0070 LYS NZ
H A 0066 ASP OD2 9.352 H A 0070 LYS NZ
H A 0067 GLU OE1 10.37 C A 0063 LYS NZ
H A 0067 GLU OE2 11.89 C A 0063 LYS NZ
H A 0067 GLU OE1 10.68 H A 0070 LYS NZ
H A 0067 GLU OE2 9.630 H A 0070 LYS NZ
H A 0068 GLU OE1 7.659 C A 0063 LYS NZ
H A 0068 GLU OE2 5.840 C A 0063 LYS NZ
H A 0074 ASP OD1 7.111 H A 0070 LYS NZ
H A 0074 ASP OD2 8.597 H A 0070 LYS NZ
H A 0074 ASP OD1 4.029 H A 0078 LYS NZ
H A 0074 ASP OD2 2.902 H A 0078 LYS NZ
CHARGE_REPU 2.00 12.00 51
H A 0002 ASP OD1 10.54 H A 0067 GLU OE1
H A 0002 ASP OD1 9.518 H A 0067 GLU OE2
H A 0002 ASP OD2 11.26 H A 0067 GLU OE1
H A 0002 ASP OD2 10.57 H A 0067 GLU OE2
H A 0002 ASP OD1 9.202 H A 0068 GLU OE1
H A 0002 ASP OD1 10.46 H A 0068 GLU OE2
H A 0002 ASP OD2 9.428 H A 0068 GLU OE1
H A 0002 ASP OD2 10.26 H A 0068 GLU OE2
H A 0002 ASP OD1 9.441 H A 0074 ASP OD1
H A 0002 ASP OD1 7.262 H A 0074 ASP OD2
H A 0002 ASP OD2 11.53 H A 0074 ASP OD1
H A 0002 ASP OD2 9.337 H A 0074 ASP OD2
C A 0014 HIS ND1 7.875 C A 0020 LYS NZ
C A 0014 HIS NE2 8.794 C A 0020 LYS NZ
C A 0014 HIS ND1 9.208 C A 0027 LYS NZ
C A 0014 HIS NE2 9.371 C A 0027 LYS NZ
C A 0014 HIS ND1 11.04 C A 0053 ARG NH1
C A 0014 HIS NE2 10.11 C A 0053 ARG NH1
C A 0014 HIS NE2 11.38 C A 0053 ARG NH2
C A 0020 LYS NZ 8.846 C A 0053 ARG NH1
C A 0020 LYS NZ 11.08 C A 0053 ARG NH2
C A 0027 LYS NZ 11.19 H A 0039 LYS NZ
C A 0027 LYS NZ 6.667 H A 0040 LYS NZ
C A 0030 LYS NZ 9.389 H A 0078 LYS NZ
H A 0035 GLU OE1 4.114 H A 0036 GLU OE1
H A 0035 GLU OE1 4.050 H A 0036 GLU OE2
H A 0035 GLU OE2 6.151 H A 0036 GLU OE1
H A 0035 GLU OE2 5.499 H A 0036 GLU OE2
H A 0039 LYS NZ 4.582 H A 0040 LYS NZ
H A 0042 LYS NZ 11.35 C A 0062 LYS NZ
H A 0042 LYS NZ 11.69 H A 0070 LYS NZ
C A 0046 ASP OD2 11.40 H A 0066 ASP OD1
C A 0046 ASP OD2 11.35 H A 0066 ASP OD2
C A 0054 LYS NZ 9.465 C A 0062 LYS NZ
H A 0066 ASP OD1 6.287 H A 0067 GLU OE1
H A 0066 ASP OD1 7.603 H A 0067 GLU OE2
H A 0066 ASP OD2 7.599 H A 0067 GLU OE1
H A 0066 ASP OD2 8.415 H A 0067 GLU OE2
H A 0066 ASP OD1 8.159 H A 0068 GLU OE1
H A 0066 ASP OD1 8.793 H A 0068 GLU OE2
H A 0066 ASP OD2 9.838 H A 0068 GLU OE1
H A 0066 ASP OD2 10.75 H A 0068 GLU OE2
H A 0067 GLU OE1 2.915 H A 0068 GLU OE1
H A 0067 GLU OE1 4.680 H A 0068 GLU OE2
H A 0067 GLU OE2 4.257 H A 0068 GLU OE1
H A 0067 GLU OE2 6.367 H A 0068 GLU OE2
H A 0067 GLU OE1 11.40 H A 0074 ASP OD2
H A 0067 GLU OE2 10.62 H A 0074 ASP OD1
H A 0067 GLU OE2 9.908 H A 0074 ASP OD2
H A 0068 GLU OE1 11.50 H A 0074 ASP OD2
H A 0070 LYS NZ 10.99 H A 0078 LYS NZ
HB_MM 2.00 3.20 157
H A 0002 ASP N 2.249 C A 0001 ALA O
H A 0003 GLY N 3.149 C A 0001 ALA O
H A 0003 GLY N 2.253 H A 0002 ASP O
H A 0004 ALA N 2.239 H A 0003 GLY O
H A 0005 ALA N 3.191 H A 0002 ASP O
H A 0005 ALA N 2.248 H A 0004 ALA O
H A 0006 LEU N 2.949 H A 0002 ASP O
H A 0006 LEU N 3.094 H A 0003 GLY O
H A 0006 LEU N 2.242 H A 0005 ALA O
H A 0007 TYR N 2.837 H A 0003 GLY O
H A 0007 TYR N 2.258 H A 0006 LEU O
H A 0008 LYS N 3.123 H A 0004 ALA O
H A 0008 LYS N 3.123 H A 0005 ALA O
H A 0008 LYS N 2.243 H A 0007 TYR O
H A 0009 SER N 3.023 H A 0007 TYR O
H A 0009 SER N 2.233 H A 0008 LYS O
H A 0010 CYS N 2.902 H A 0007 TYR O
H A 0010 CYS N 2.247 H A 0009 SER O
C A 0011 ILE N 3.076 H A 0007 TYR O
C A 0011 ILE N 2.278 H A 0010 CYS O
C A 0012 GLY N 3.023 H A 0009 SER O
C A 0012 GLY N 2.899 H A 0010 CYS O
C A 0012 GLY N 2.244 C A 0011 ILE O
C A 0013 CYS N 2.894 H A 0010 CYS O
C A 0013 CYS N 2.248 C A 0012 GLY O
C A 0014 HIS N 3.038 H A 0010 CYS O
C A 0014 HIS N 2.251 C A 0013 CYS O
C A 0015 GLY N 2.714 C A 0011 ILE O
C A 0015 GLY N 2.240 C A 0014 HIS O
C A 0016 ALA N 2.254 C A 0015 GLY O
C A 0017 ASP N 3.159 C A 0015 GLY O
C A 0017 ASP N 2.253 C A 0016 ALA O
C A 0018 GLY N 2.787 C A 0015 GLY O
C A 0018 GLY N 2.249 C A 0017 ASP O
C A 0019 SER N 3.141 C A 0014 HIS O
C A 0019 SER N 2.793 C A 0017 ASP O
C A 0019 SER N 2.258 C A 0018 GLY O
C A 0020 LYS N 2.822 C A 0014 HIS O
C A 0020 LYS N 2.247 C A 0019 SER O
C A 0021 ALA N 2.255 C A 0020 LYS O
C A 0022 ALA N 2.668 C A 0020 LYS O
C A 0022 ALA N 2.256 C A 0021 ALA O
C A 0023 MET N 2.290 C A 0022 ALA O
C A 0024 GLY N 2.738 C A 0022 ALA O
C A 0024 GLY N 2.250 C A 0023 MET O
C A 0025 SER N 2.777 C A 0022 ALA O
C A 0025 SER N 2.276 C A 0024 GLY O
C A 0026 ALA N 2.890 C A 0022 ALA O
C A 0026 ALA N 2.244 C A 0025 SER O
C A 0027 LYS N 2.242 C A 0026 ALA O
C A 0028 PRO N 3.158 C A 0026 ALA O
C A 0028 PRO N 2.260 C A 0027 LYS O
C A 0029 VAL N 3.161 C A 0018 GLY O
C A 0029 VAL N 2.896 C A 0027 LYS O
C A 0029 VAL N 2.254 C A 0028 PRO O
C A 0030 LYS N 2.868 C A 0018 GLY O
C A 0030 LYS N 2.253 C A 0029 VAL O
C A 0031 GLY N 2.868 C A 0029 VAL O
C A 0031 GLY N 2.260 C A 0030 LYS O
C A 0031 GLY N 3.019 H A 0076 MET O
C A 0032 GLN N 2.779 C A 0029 VAL O
C A 0032 GLN N 2.261 C A 0031 GLY O
C A 0033 GLY N 2.260 C A 0032 GLN O
H A 0034 ALA N 2.229 C A 0033 GLY O
H A 0035 GLU N 3.045 C A 0033 GLY O
H A 0035 GLU N 2.245 H A 0034 ALA O
H A 0036 GLU N 2.719 C A 0033 GLY O
H A 0036 GLU N 2.250 H A 0035 GLU O
H A 0037 LEU N 2.735 C A 0033 GLY O
H A 0037 LEU N 2.259 H A 0036 GLU O
H A 0038 TYR N 2.786 H A 0034 ALA O
H A 0038 TYR N 2.245 H A 0037 LEU O
H A 0039 LYS N 2.813 H A 0035 GLU O
H A 0039 LYS N 3.116 H A 0036 GLU O
H A 0039 LYS N 2.244 H A 0038 TYR O
H A 0040 LYS N 2.823 H A 0036 GLU O
H A 0040 LYS N 2.248 H A 0039 LYS O
H A 0041 MET N 2.792 H A 0037 LEU O
H A 0041 MET N 2.246 H A 0040 LYS O
H A 0042 LYS N 2.777 H A 0038 TYR O
H A 0042 LYS N 2.243 H A 0041 MET O
H A 0043 GLY N 2.856 H A 0039 LYS O
H A 0043 GLY N 3.140 H A 0040 LYS O
H A 0043 GLY N 2.261 H A 0042 LYS O
H A 0044 TYR N 2.821 H A 0040 LYS O
H A 0044 TYR N 2.228 H A 0043 GLY O
H A 0045 ALA N 2.702 H A 0041 MET O
H A 0045 ALA N 2.970 H A 0042 LYS O
H A 0045 ALA N 2.241 H A 0044 TYR O
C A 0046 ASP N 2.878 H A 0042 LYS O
C A 0046 ASP N 2.259 H A 0045 ALA O
C A 0047 GLY N 2.692 H A 0043 GLY O
C A 0047 GLY N 3.169 H A 0044 TYR O
C A 0047 GLY N 2.245 C A 0046 ASP O
C A 0048 SER N 2.684 H A 0043 GLY O
C A 0048 SER N 2.242 C A 0047 GLY O
C A 0049 TYR N 2.243 C A 0048 SER O
C A 0050 GLY N 2.256 C A 0049 TYR O
C A 0051 GLY N 2.254 C A 0050 GLY O
C A 0052 GLU N 2.264 C A 0051 GLY O
C A 0053 ARG N 2.254 C A 0052 GLU O
C A 0054 LYS N 3.163 C A 0051 GLY O
C A 0054 LYS N 2.263 C A 0053 ARG O
H A 0055 ALA N 3.009 C A 0053 ARG O
H A 0055 ALA N 2.248 C A 0054 LYS O
H A 0056 MET N 3.005 C A 0053 ARG O
H A 0056 MET N 2.260 H A 0055 ALA O
H A 0057 MET N 2.961 C A 0053 ARG O
H A 0057 MET N 2.264 H A 0056 MET O
H A 0058 THR N 2.773 C A 0054 LYS O
H A 0058 THR N 2.238 H A 0057 MET O
H A 0059 ASN N 2.882 H A 0055 ALA O
H A 0059 ASN N 2.252 H A 0058 THR O
H A 0060 ALA N 2.871 H A 0056 MET O
H A 0060 ALA N 2.937 H A 0057 MET O
H A 0060 ALA N 2.247 H A 0059 ASN O
H A 0061 VAL N 2.790 H A 0057 MET O
H A 0061 VAL N 2.249 H A 0060 ALA O
C A 0062 LYS N 2.817 H A 0058 THR O
C A 0062 LYS N 3.116 H A 0060 ALA O
C A 0062 LYS N 2.255 H A 0061 VAL O
C A 0063 LYS N 3.033 H A 0060 ALA O
C A 0063 LYS N 2.901 H A 0061 VAL O
C A 0063 LYS N 2.246 C A 0062 LYS O
C A 0064 TYR N 2.854 H A 0061 VAL O
C A 0064 TYR N 2.243 C A 0063 LYS O
C A 0065 SER N 2.242 C A 0064 TYR O
H A 0066 ASP N 2.262 C A 0065 SER O
H A 0067 GLU N 2.841 C A 0065 SER O
H A 0067 GLU N 2.247 H A 0066 ASP O
H A 0068 GLU N 2.717 C A 0065 SER O
H A 0068 GLU N 2.247 H A 0067 GLU O
H A 0069 LEU N 2.816 C A 0065 SER O
H A 0069 LEU N 2.250 H A 0068 GLU O
H A 0070 LYS N 2.827 H A 0066 ASP O
H A 0070 LYS N 2.249 H A 0069 LEU O
H A 0071 ALA N 2.966 H A 0067 GLU O
H A 0071 ALA N 2.253 H A 0070 LYS O
H A 0072 LEU N 2.801 H A 0068 GLU O
H A 0072 LEU N 3.159 H A 0069 LEU O
H A 0072 LEU N 2.247 H A 0071 ALA O
H A 0073 ALA N 2.854 H A 0069 LEU O
H A 0073 ALA N 2.251 H A 0072 LEU O
H A 0074 ASP N 2.833 H A 0070 LYS O
H A 0074 ASP N 2.251 H A 0073 ALA O
H A 0075 TYR N 2.879 H A 0071 ALA O
H A 0075 TYR N 3.136 H A 0072 LEU O
H A 0075 TYR N 2.261 H A 0074 ASP O
H A 0076 MET N 2.778 H A 0072 LEU O
H A 0076 MET N 2.246 H A 0075 TYR O
H A 0077 SER N 2.734 H A 0073 ALA O
H A 0077 SER N 2.924 H A 0075 TYR O
H A 0077 SER N 2.238 H A 0076 MET O
H A 0078 LYS N 2.820 H A 0075 TYR O
H A 0078 LYS N 2.251 H A 0077 SER O
H A 0079 LEU N 2.750 H A 0075 TYR O
H A 0079 LEU N 2.269 H A 0078 LYS O
HB_MS 2.00 3.20 28
C A 0001 ALA N 3.128 H A 0067 GLU OE1
C A 0001 ALA N 2.732 H A 0067 GLU OE2
C A 0001 ALA N 2.729 H A 0068 GLU OE1
H A 0003 GLY N 3.093 H A 0002 ASP OD1
H A 0005 ALA N 2.767 H A 0002 ASP OD2
H A 0006 LEU O 2.769 C A 0064 TYR OH
H A 0010 CYS N 3.174 H A 0009 SER OG
C A 0013 CYS O 2.931 C A 0020 LYS NZ
C A 0017 ASP O 2.789 C A 0019 SER OG
C A 0019 SER N 3.012 C A 0017 ASP OD1
C A 0024 GLY O 2.653 C A 0025 SER OG
C A 0025 SER N 3.033 C A 0052 GLU OE1
C A 0027 LYS O 2.791 C A 0032 GLN NE2
H A 0034 ALA N 2.806 H A 0077 SER OG
H A 0045 ALA O 2.874 C A 0062 LYS NZ
C A 0047 GLY N 2.903 C A 0046 ASP OD1
C A 0048 SER N 2.760 C A 0046 ASP OD1
C A 0049 TYR O 2.885 C A 0054 LYS NZ
C A 0050 GLY O 2.753 H A 0044 TYR OH
C A 0054 LYS O 2.738 H A 0058 THR OG1
H A 0055 ALA O 2.804 H A 0059 ASN ND2
C A 0064 TYR O 2.811 C A 0065 SER OG
H A 0066 ASP O 2.803 H A 0038 TYR OH
H A 0067 GLU N 2.740 H A 0066 ASP OD1
H A 0068 GLU N 3.104 H A 0067 GLU OE1
H A 0074 ASP O 2.851 H A 0078 LYS NZ
H A 0078 LYS O 2.880 C A 0030 LYS NZ
H A 0079 LEU O 2.605 H A 0075 TYR OH
HB_SS 2.00 3.20 1
C A 0052 GLU OE2 2.921 C A 0025 SER OG
AROMATIC 0.00 8.00 6
C A 0054 LYS 6.056 H A 0044 TYR
C A 0063 LYS 4.516 C A 0064 TYR
H A 0078 LYS 5.913 H A 0075 TYR
H A 0070 LYS 5.402 H A 0038 TYR
C A 0027 LYS 6.927 C A 0049 TYR
C A 0054 LYS 7.608 C A 0049 TYR