Complet list of 1nkl con file
Complete list of 1nkl.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 314
C A 0001 GLY C 2.538 C A 0002 TYR CA
C A 0001 GLY C 3.120 C A 0002 TYR C
C A 0001 GLY C 3.264 C A 0002 TYR CB
C A 0002 TYR C 2.510 H A 0003 PHE CA
C A 0002 TYR C 3.032 H A 0003 PHE C
C A 0002 TYR C 3.651 H A 0003 PHE CB
H A 0003 PHE C 2.440 H A 0004 CYS CA
H A 0003 PHE C 3.004 H A 0004 CYS C
H A 0003 PHE C 3.735 H A 0004 CYS CB
H A 0003 PHE CB 3.722 C A 0075 ILE CG2
H A 0004 CYS C 2.481 H A 0005 GLU CA
H A 0004 CYS C 2.968 H A 0005 GLU C
H A 0004 CYS C 3.755 H A 0005 GLU CB
H A 0004 CYS CB 3.566 C A 0076 CYS CA
H A 0004 CYS CB 3.695 C A 0076 CYS CB
H A 0005 GLU CA 3.790 H A 0006 SER CA
H A 0005 GLU C 2.444 H A 0006 SER CA
H A 0005 GLU C 2.985 H A 0006 SER C
H A 0005 GLU C 3.701 H A 0006 SER CB
H A 0005 GLU CD 3.760 H A 0006 SER CA
H A 0006 SER C 2.495 H A 0007 CYS CA
H A 0006 SER C 3.063 H A 0007 CYS C
H A 0006 SER C 3.703 H A 0007 CYS CB
H A 0007 CYS C 2.448 H A 0008 ARG CA
H A 0007 CYS C 2.989 H A 0008 ARG C
H A 0007 CYS C 3.745 H A 0008 ARG CB
H A 0007 CYS CB 3.619 C A 0075 ILE CG2
H A 0008 ARG C 2.463 H A 0009 LYS CA
H A 0008 ARG C 3.027 H A 0009 LYS C
H A 0008 ARG C 3.707 H A 0009 LYS CB
H A 0008 ARG CG 3.712 H A 0066 PRO CB
H A 0009 LYS C 2.488 H A 0010 ILE CA
H A 0009 LYS C 3.018 H A 0010 ILE C
H A 0009 LYS C 3.746 H A 0010 ILE CB
H A 0010 ILE C 2.459 H A 0011 ILE CA
H A 0010 ILE C 3.021 H A 0011 ILE C
H A 0010 ILE C 3.738 H A 0011 ILE CB
H A 0010 ILE CG1 3.760 C A 0041 LEU CD2
H A 0010 ILE CD1 3.786 C A 0041 LEU CD2
H A 0010 ILE CD1 3.709 H A 0045 CYS CA
H A 0010 ILE CD1 3.583 H A 0045 CYS CB
H A 0010 ILE CG2 3.771 H A 0049 MET CE
H A 0011 ILE C 2.423 H A 0012 GLN CA
H A 0011 ILE C 3.013 H A 0012 GLN C
H A 0011 ILE C 3.712 H A 0012 GLN CB
H A 0011 ILE CG2 3.733 H A 0069 ILE CD1
H A 0011 ILE CD1 3.443 H A 0069 ILE CG2
H A 0012 GLN C 2.425 H A 0013 LYS CA
H A 0012 GLN C 3.022 H A 0013 LYS C
H A 0012 GLN C 3.716 H A 0013 LYS CB
H A 0012 GLN CG 3.708 H A 0066 PRO CG
H A 0013 LYS C 2.479 H A 0014 LEU CA
H A 0013 LYS C 3.088 H A 0014 LEU C
H A 0013 LYS C 3.720 H A 0014 LEU CB
H A 0013 LYS C 3.692 H A 0034 VAL CG2
H A 0014 LEU C 2.502 H A 0015 GLU CA
H A 0014 LEU C 3.019 H A 0015 GLU C
H A 0014 LEU C 3.687 H A 0015 GLU CB
H A 0014 LEU CD1 3.522 H A 0031 ALA CB
H A 0014 LEU CA 3.407 H A 0034 VAL CG2
H A 0014 LEU CB 3.737 H A 0034 VAL CG2
H A 0014 LEU CD1 3.736 H A 0056 ILE CG2
H A 0015 GLU C 2.489 H A 0016 ASP CA
H A 0015 GLU C 3.059 H A 0016 ASP C
H A 0015 GLU C 3.688 H A 0016 ASP CB
H A 0016 ASP C 2.448 H A 0017 MET CA
H A 0016 ASP C 3.100 H A 0017 MET C
H A 0016 ASP C 3.758 H A 0017 MET CB
H A 0017 MET C 2.435 H A 0018 VAL CA
H A 0017 MET C 3.011 H A 0018 VAL C
H A 0017 MET C 3.728 H A 0018 VAL CB
H A 0017 MET CE 3.685 H A 0037 LYS CE
H A 0018 VAL C 2.465 C A 0019 GLY CA
H A 0018 VAL C 3.219 C A 0019 GLY C
H A 0018 VAL CG2 3.456 C A 0022 PRO CB
H A 0018 VAL CG2 3.790 H A 0026 THR CG2
C A 0019 GLY CA 2.945 C A 0020 PRO CD
C A 0019 GLY C 2.459 C A 0020 PRO CA
C A 0019 GLY C 3.125 C A 0020 PRO C
C A 0019 GLY C 3.660 C A 0020 PRO CB
C A 0019 GLY C 3.695 C A 0020 PRO CG
C A 0019 GLY C 2.498 C A 0020 PRO CD
C A 0020 PRO C 2.539 C A 0021 GLN CA
C A 0020 PRO C 2.998 C A 0021 GLN C
C A 0020 PRO C 3.487 C A 0021 GLN CB
C A 0020 PRO C 3.470 C A 0022 PRO CD
C A 0021 GLN CA 2.970 C A 0022 PRO CD
C A 0021 GLN C 2.460 C A 0022 PRO CA
C A 0021 GLN C 3.187 C A 0022 PRO C
C A 0021 GLN C 3.618 C A 0022 PRO CB
C A 0021 GLN C 3.695 C A 0022 PRO CG
C A 0021 GLN C 2.513 C A 0022 PRO CD
C A 0022 PRO C 2.485 C A 0023 ASN CA
C A 0022 PRO C 3.617 C A 0023 ASN C
C A 0022 PRO C 3.402 C A 0023 ASN CB
C A 0022 PRO CB 3.635 H A 0027 VAL CG2
C A 0022 PRO CG 3.576 H A 0027 VAL CG2
C A 0022 PRO CG 3.608 H A 0060 ILE CG2
C A 0023 ASN C 2.519 H A 0024 GLU CA
C A 0023 ASN C 3.082 H A 0024 GLU C
C A 0023 ASN C 3.699 H A 0024 GLU CB
C A 0023 ASN CA 3.628 H A 0061 LEU CD2
C A 0023 ASN C 3.781 H A 0061 LEU CD2
H A 0024 GLU C 2.442 H A 0025 ASP CA
H A 0024 GLU C 3.083 H A 0025 ASP C
H A 0024 GLU C 3.753 H A 0025 ASP CB
H A 0024 GLU CD 3.472 H A 0054 ARG CZ
H A 0025 ASP C 2.450 H A 0026 THR CA
H A 0025 ASP C 2.972 H A 0026 THR C
H A 0025 ASP C 3.721 H A 0026 THR CB
H A 0026 THR C 2.441 H A 0027 VAL CA
H A 0026 THR C 3.044 H A 0027 VAL C
H A 0026 THR C 3.746 H A 0027 VAL CB
H A 0026 THR CA 3.641 H A 0029 GLN CG
H A 0027 VAL C 2.470 H A 0028 THR CA
H A 0027 VAL C 3.018 H A 0028 THR C
H A 0027 VAL C 3.732 H A 0028 THR CB
H A 0027 VAL CG1 3.745 H A 0057 SER CA
H A 0027 VAL CG1 3.709 H A 0060 ILE CG2
H A 0027 VAL CG2 3.582 H A 0060 ILE CG2
H A 0028 THR C 2.447 H A 0029 GLN CA
H A 0028 THR C 3.075 H A 0029 GLN C
H A 0028 THR C 3.744 H A 0029 GLN CB
H A 0029 GLN C 2.452 H A 0030 ALA CA
H A 0029 GLN C 3.023 H A 0030 ALA C
H A 0029 GLN C 3.753 H A 0030 ALA CB
H A 0030 ALA C 2.483 H A 0031 ALA CA
H A 0030 ALA C 3.253 H A 0031 ALA C
H A 0030 ALA C 3.706 H A 0031 ALA CB
H A 0031 ALA C 2.426 H A 0032 SER CA
H A 0031 ALA C 2.950 H A 0032 SER C
H A 0031 ALA C 3.719 H A 0032 SER CB
H A 0031 ALA CA 3.753 H A 0034 VAL CG1
H A 0032 SER C 2.464 H A 0033 GLN CA
H A 0032 SER C 3.351 H A 0033 GLN C
H A 0032 SER C 3.609 H A 0033 GLN CB
H A 0032 SER C 3.768 H A 0033 GLN CG
H A 0033 GLN C 2.480 H A 0034 VAL CA
H A 0033 GLN C 2.907 H A 0034 VAL C
H A 0033 GLN CA 3.665 H A 0036 ASP CB
H A 0033 GLN CD 3.573 H A 0036 ASP CB
H A 0034 VAL CA 3.790 H A 0035 CYS CA
H A 0034 VAL C 2.463 H A 0035 CYS CA
H A 0034 VAL C 3.068 H A 0035 CYS C
H A 0034 VAL C 3.686 H A 0035 CYS CB
H A 0035 CYS CA 3.792 H A 0036 ASP CA
H A 0035 CYS C 2.450 H A 0036 ASP CA
H A 0035 CYS C 2.941 H A 0036 ASP C
H A 0035 CYS C 3.683 H A 0036 ASP CB
H A 0035 CYS CA 3.662 H A 0045 CYS CB
H A 0035 CYS CB 3.332 H A 0045 CYS CB
H A 0035 CYS CB 3.694 H A 0046 LYS CG
H A 0035 CYS CB 3.401 H A 0046 LYS CD
H A 0036 ASP C 2.518 H A 0037 LYS CA
H A 0036 ASP C 3.220 H A 0037 LYS C
H A 0036 ASP C 3.716 H A 0037 LYS CB
H A 0036 ASP CG 3.486 H A 0042 ARG CZ
H A 0037 LYS C 2.469 C A 0038 LEU CA
H A 0037 LYS C 3.077 C A 0038 LEU C
H A 0037 LYS C 3.747 C A 0038 LEU CB
C A 0038 LEU C 2.428 C A 0039 LYS CA
C A 0038 LEU C 3.086 C A 0039 LYS C
C A 0038 LEU C 3.713 C A 0039 LYS CB
C A 0039 LYS C 2.511 C A 0040 ILE CA
C A 0039 LYS C 3.130 C A 0040 ILE C
C A 0039 LYS C 3.138 C A 0040 ILE CB
C A 0039 LYS C 3.571 C A 0040 ILE CG1
C A 0040 ILE C 2.471 C A 0041 LEU CA
C A 0040 ILE C 3.268 C A 0041 LEU C
C A 0040 ILE C 3.655 C A 0041 LEU CB
C A 0041 LEU C 2.508 H A 0042 ARG CA
C A 0041 LEU C 3.049 H A 0042 ARG C
C A 0041 LEU C 3.739 H A 0042 ARG CB
H A 0042 ARG C 2.448 H A 0043 GLY CA
H A 0042 ARG C 3.049 H A 0043 GLY C
H A 0043 GLY C 2.462 H A 0044 LEU CA
H A 0043 GLY C 3.012 H A 0044 LEU C
H A 0043 GLY C 3.727 H A 0044 LEU CB
H A 0044 LEU C 2.462 H A 0045 CYS CA
H A 0044 LEU C 3.020 H A 0045 CYS C
H A 0044 LEU C 3.681 H A 0045 CYS CB
H A 0044 LEU CD1 3.387 H A 0048 ILE CD1
H A 0045 CYS C 2.458 H A 0046 LYS CA
H A 0045 CYS C 2.959 H A 0046 LYS C
H A 0046 LYS C 2.459 H A 0047 LYS CA
H A 0046 LYS C 3.069 H A 0047 LYS C
H A 0046 LYS C 3.756 H A 0047 LYS CB
H A 0047 LYS C 2.469 H A 0048 ILE CA
H A 0047 LYS C 2.940 H A 0048 ILE C
H A 0047 LYS C 3.790 H A 0048 ILE CB
H A 0048 ILE C 2.453 H A 0049 MET CA
H A 0048 ILE C 3.009 H A 0049 MET C
H A 0048 ILE C 3.718 H A 0049 MET CB
H A 0049 MET C 2.437 H A 0050 ARG CA
H A 0049 MET C 3.003 H A 0050 ARG C
H A 0049 MET C 3.738 H A 0050 ARG CB
H A 0050 ARG C 2.461 H A 0051 SER CA
H A 0050 ARG C 3.248 H A 0051 SER C
H A 0050 ARG C 3.665 H A 0051 SER CB
H A 0051 SER C 2.472 C A 0052 PHE CA
H A 0051 SER C 3.664 C A 0052 PHE C
H A 0051 SER C 3.314 C A 0052 PHE CB
H A 0051 SER C 3.332 C A 0052 PHE CG
H A 0051 SER C 3.682 C A 0052 PHE CD2
H A 0051 SER CB 3.704 C A 0052 PHE CD2
C A 0052 PHE C 2.449 H A 0053 LEU CA
C A 0052 PHE C 3.030 H A 0053 LEU C
C A 0052 PHE C 3.745 H A 0053 LEU CB
H A 0053 LEU C 2.412 H A 0054 ARG CA
H A 0053 LEU C 3.036 H A 0054 ARG C
H A 0053 LEU C 3.684 H A 0054 ARG CB
H A 0054 ARG C 2.449 H A 0055 ARG CA
H A 0054 ARG C 3.007 H A 0055 ARG C
H A 0054 ARG C 3.775 H A 0055 ARG CB
H A 0055 ARG C 2.442 H A 0056 ILE CA
H A 0055 ARG C 2.977 H A 0056 ILE C
H A 0055 ARG C 3.774 H A 0056 ILE CB
H A 0055 ARG CA 3.588 H A 0058 TRP CE3
H A 0055 ARG C 3.641 H A 0058 TRP CE3
H A 0055 ARG CD 3.572 H A 0058 TRP CE3
H A 0055 ARG CD 3.466 H A 0058 TRP CZ3
H A 0055 ARG CZ 3.372 H A 0058 TRP CZ3
H A 0055 ARG CZ 3.436 H A 0058 TRP CH2
H A 0056 ILE C 2.430 H A 0057 SER CA
H A 0056 ILE C 3.019 H A 0057 SER C
H A 0056 ILE C 3.703 H A 0057 SER CB
H A 0056 ILE CD1 3.528 C A 0073 ILE CD1
H A 0057 SER C 2.482 H A 0058 TRP CA
H A 0057 SER C 2.976 H A 0058 TRP C
H A 0057 SER C 3.782 H A 0058 TRP CB
H A 0057 SER C 3.773 H A 0061 LEU CD1
H A 0058 TRP C 2.460 H A 0059 ASP CA
H A 0058 TRP C 2.986 H A 0059 ASP C
H A 0058 TRP C 3.720 H A 0059 ASP CB
H A 0058 TRP CE3 3.502 H A 0059 ASP CG
H A 0058 TRP CZ3 3.332 H A 0059 ASP CG
H A 0058 TRP CH2 3.797 H A 0059 ASP CG
H A 0058 TRP CD1 3.773 C A 0062 THR CG2
H A 0058 TRP CZ2 3.491 C A 0064 LYS CE
H A 0058 TRP CH2 3.476 H A 0072 ASP CG
H A 0058 TRP CZ3 3.603 C A 0073 ILE CG2
H A 0059 ASP C 2.467 H A 0060 ILE CA
H A 0059 ASP C 3.082 H A 0060 ILE C
H A 0059 ASP C 3.723 H A 0060 ILE CB
H A 0059 ASP CB 3.746 H A 0069 ILE CG1
H A 0059 ASP CB 3.693 H A 0069 ILE CD1
H A 0059 ASP CG 3.719 H A 0069 ILE CG1
H A 0059 ASP CG 3.376 H A 0069 ILE CG2
H A 0060 ILE C 2.480 H A 0061 LEU CA
H A 0060 ILE C 3.061 H A 0061 LEU C
H A 0060 ILE C 3.771 H A 0061 LEU CB
H A 0061 LEU C 2.473 C A 0062 THR CA
H A 0061 LEU C 3.283 C A 0062 THR C
H A 0061 LEU C 3.689 C A 0062 THR CB
C A 0062 THR C 2.505 C A 0063 GLY CA
C A 0062 THR C 2.975 C A 0063 GLY C
C A 0063 GLY C 2.430 C A 0064 LYS CA
C A 0063 GLY C 3.141 C A 0064 LYS C
C A 0063 GLY C 3.624 C A 0064 LYS CB
C A 0064 LYS CA 3.793 C A 0065 LYS CA
C A 0064 LYS C 2.425 C A 0065 LYS CA
C A 0064 LYS C 3.094 C A 0065 LYS C
C A 0064 LYS C 3.682 C A 0065 LYS CB
C A 0064 LYS C 3.758 H A 0069 ILE CD1
C A 0065 LYS CA 2.931 H A 0066 PRO CD
C A 0065 LYS C 2.481 H A 0066 PRO CA
C A 0065 LYS C 3.113 H A 0066 PRO C
C A 0065 LYS C 3.695 H A 0066 PRO CB
C A 0065 LYS C 3.643 H A 0066 PRO CG
C A 0065 LYS C 2.484 H A 0066 PRO CD
C A 0065 LYS CB 3.414 H A 0066 PRO CD
H A 0066 PRO C 2.456 H A 0067 GLN CA
H A 0066 PRO C 2.935 H A 0067 GLN C
H A 0066 PRO C 3.731 H A 0067 GLN CB
H A 0067 GLN C 2.426 H A 0068 ALA CA
H A 0067 GLN C 3.106 H A 0068 ALA C
H A 0067 GLN C 3.684 H A 0068 ALA CB
H A 0068 ALA C 2.451 H A 0069 ILE CA
H A 0068 ALA C 3.026 H A 0069 ILE C
H A 0068 ALA C 3.747 H A 0069 ILE CB
H A 0069 ILE C 2.467 H A 0070 CYS CA
H A 0069 ILE C 3.059 H A 0070 CYS C
H A 0069 ILE C 3.719 H A 0070 CYS CB
H A 0069 ILE CG2 3.752 C A 0073 ILE CD1
H A 0070 CYS C 2.427 H A 0071 VAL CA
H A 0070 CYS C 2.993 H A 0071 VAL C
H A 0070 CYS C 3.718 H A 0071 VAL CB
H A 0071 VAL C 2.505 H A 0072 ASP CA
H A 0071 VAL C 3.062 H A 0072 ASP C
H A 0071 VAL C 3.730 H A 0072 ASP CB
H A 0072 ASP C 2.440 C A 0073 ILE CA
H A 0072 ASP C 3.215 C A 0073 ILE C
H A 0072 ASP C 3.666 C A 0073 ILE CB
C A 0073 ILE C 2.526 C A 0074 LYS CA
C A 0073 ILE C 3.201 C A 0074 LYS C
C A 0073 ILE C 3.140 C A 0074 LYS CB
C A 0073 ILE CG1 3.580 C A 0075 ILE CD1
C A 0073 ILE CD1 3.678 C A 0075 ILE CD1
C A 0074 LYS C 2.490 C A 0075 ILE CA
C A 0074 LYS C 3.604 C A 0075 ILE C
C A 0074 LYS C 3.405 C A 0075 ILE CB
C A 0074 LYS C 3.423 C A 0075 ILE CG1
C A 0074 LYS CG 3.682 C A 0078 GLU CD
C A 0074 LYS CE 3.395 C A 0078 GLU CD
C A 0075 ILE C 2.438 C A 0076 CYS CA
C A 0075 ILE C 3.239 C A 0076 CYS C
C A 0075 ILE C 3.658 C A 0076 CYS CB
C A 0076 CYS C 2.560 C A 0077 LYS CA
C A 0076 CYS C 3.572 C A 0077 LYS C
C A 0076 CYS C 3.162 C A 0077 LYS CB
C A 0077 LYS C 2.467 C A 0078 GLU CA
C A 0077 LYS C 2.904 C A 0078 GLU C
C A 0077 LYS C 3.754 C A 0078 GLU CB
C A 0077 LYS CE 3.511 C A 0078 GLU C
CHARGE_ATTR 2.00 12.00 68
H A 0005 GLU OE1 9.736 H A 0008 ARG NH1
H A 0005 GLU OE1 11.32 H A 0008 ARG NH2
H A 0005 GLU OE2 8.243 H A 0008 ARG NH1
H A 0005 GLU OE2 9.713 H A 0008 ARG NH2
H A 0005 GLU OE1 4.562 H A 0009 LYS NZ
H A 0005 GLU OE2 2.647 H A 0009 LYS NZ
H A 0015 GLU OE1 9.366 H A 0008 ARG NH1
H A 0015 GLU OE1 7.602 H A 0008 ARG NH2
H A 0015 GLU OE2 11.02 H A 0008 ARG NH1
H A 0015 GLU OE2 9.187 H A 0008 ARG NH2
H A 0015 GLU OE1 9.247 H A 0013 LYS NZ
H A 0015 GLU OE2 10.81 H A 0013 LYS NZ
H A 0015 GLU OE1 11.48 C A 0064 LYS NZ
H A 0015 GLU OE2 10.68 C A 0064 LYS NZ
H A 0015 GLU OE1 4.732 C A 0065 LYS NZ
H A 0015 GLU OE2 2.693 C A 0065 LYS NZ
H A 0016 ASP OD1 11.88 H A 0008 ARG NH2
H A 0016 ASP OD2 11.62 H A 0008 ARG NH1
H A 0016 ASP OD2 10.01 H A 0008 ARG NH2
H A 0016 ASP OD1 2.646 H A 0013 LYS NZ
H A 0016 ASP OD2 2.725 H A 0013 LYS NZ
H A 0016 ASP OD1 9.585 H A 0037 LYS NZ
H A 0016 ASP OD2 10.68 H A 0037 LYS NZ
H A 0024 GLU OE1 3.712 H A 0054 ARG NH1
H A 0024 GLU OE1 3.132 H A 0054 ARG NH2
H A 0024 GLU OE2 4.216 H A 0054 ARG NH1
H A 0024 GLU OE2 2.686 H A 0054 ARG NH2
H A 0024 GLU OE1 11.98 H A 0055 ARG NH1
H A 0025 ASP OD1 11.37 H A 0054 ARG NH2
H A 0036 ASP OD1 7.785 H A 0037 LYS NZ
H A 0036 ASP OD2 9.401 H A 0037 LYS NZ
H A 0036 ASP OD1 11.43 C A 0039 LYS NZ
H A 0036 ASP OD1 2.706 H A 0042 ARG NH1
H A 0036 ASP OD1 3.501 H A 0042 ARG NH2
H A 0036 ASP OD2 3.326 H A 0042 ARG NH1
H A 0036 ASP OD2 2.843 H A 0042 ARG NH2
H A 0036 ASP OD1 4.826 H A 0046 LYS NZ
H A 0036 ASP OD2 2.835 H A 0046 LYS NZ
H A 0059 ASP OD1 8.617 H A 0054 ARG NH1
H A 0059 ASP OD1 10.67 H A 0054 ARG NH2
H A 0059 ASP OD2 8.080 H A 0054 ARG NH1
H A 0059 ASP OD2 10.27 H A 0054 ARG NH2
H A 0059 ASP OD1 7.113 H A 0055 ARG NH1
H A 0059 ASP OD1 6.132 H A 0055 ARG NH2
H A 0059 ASP OD2 7.071 H A 0055 ARG NH1
H A 0059 ASP OD2 6.270 H A 0055 ARG NH2
H A 0059 ASP OD1 2.810 C A 0064 LYS NZ
H A 0059 ASP OD2 4.911 C A 0064 LYS NZ
H A 0059 ASP OD1 10.23 C A 0065 LYS NZ
H A 0059 ASP OD2 11.57 C A 0065 LYS NZ
H A 0072 ASP OD1 11.50 H A 0054 ARG NH1
H A 0072 ASP OD2 11.35 H A 0054 ARG NH1
H A 0072 ASP OD1 4.943 H A 0055 ARG NH1
H A 0072 ASP OD1 2.755 H A 0055 ARG NH2
H A 0072 ASP OD2 5.957 H A 0055 ARG NH1
H A 0072 ASP OD2 4.232 H A 0055 ARG NH2
H A 0072 ASP OD1 4.437 C A 0064 LYS NZ
H A 0072 ASP OD2 2.703 C A 0064 LYS NZ
H A 0072 ASP OD1 8.420 C A 0074 LYS NZ
H A 0072 ASP OD2 10.02 C A 0074 LYS NZ
C A 0078 GLU OE1 10.99 H A 0055 ARG NH2
C A 0078 GLU OE2 11.21 H A 0055 ARG NH1
C A 0078 GLU OE2 9.076 H A 0055 ARG NH2
C A 0078 GLU OE2 10.59 C A 0064 LYS NZ
C A 0078 GLU OE1 2.699 C A 0074 LYS NZ
C A 0078 GLU OE2 2.641 C A 0074 LYS NZ
C A 0078 GLU OE1 8.015 C A 0077 LYS NZ
C A 0078 GLU OE2 8.938 C A 0077 LYS NZ
CHARGE_REPU 2.00 12.00 49
H A 0008 ARG NH1 8.684 H A 0009 LYS NZ
H A 0008 ARG NH2 9.873 H A 0009 LYS NZ
H A 0008 ARG NH2 11.66 H A 0013 LYS NZ
H A 0008 ARG NH2 10.52 C A 0065 LYS NZ
H A 0013 LYS NZ 8.136 H A 0037 LYS NZ
H A 0015 GLU OE1 8.916 H A 0016 ASP OD1
H A 0015 GLU OE1 8.277 H A 0016 ASP OD2
H A 0015 GLU OE2 10.11 H A 0016 ASP OD1
H A 0015 GLU OE2 9.786 H A 0016 ASP OD2
H A 0015 GLU OE1 10.69 H A 0059 ASP OD1
H A 0015 GLU OE1 11.23 H A 0059 ASP OD2
H A 0015 GLU OE2 10.16 H A 0059 ASP OD1
H A 0015 GLU OE2 11.03 H A 0059 ASP OD2
H A 0024 GLU OE1 8.612 H A 0025 ASP OD1
H A 0024 GLU OE1 9.557 H A 0025 ASP OD2
H A 0024 GLU OE2 9.334 H A 0025 ASP OD1
H A 0024 GLU OE2 10.41 H A 0025 ASP OD2
H A 0024 GLU OE1 11.32 H A 0059 ASP OD1
H A 0024 GLU OE1 10.40 H A 0059 ASP OD2
H A 0024 GLU OE2 11.89 H A 0059 ASP OD2
H A 0037 LYS NZ 10.95 C A 0039 LYS NZ
H A 0037 LYS NZ 9.504 H A 0042 ARG NH1
H A 0037 LYS NZ 11.17 H A 0042 ARG NH2
H A 0037 LYS NZ 10.60 H A 0046 LYS NZ
C A 0039 LYS NZ 10.26 H A 0042 ARG NH1
H A 0042 ARG NH1 5.779 H A 0046 LYS NZ
H A 0042 ARG NH2 5.020 H A 0046 LYS NZ
H A 0047 LYS NZ 11.32 H A 0050 ARG NH1
H A 0047 LYS NZ 11.93 H A 0050 ARG NH2
H A 0054 ARG NH1 8.624 H A 0055 ARG NH1
H A 0054 ARG NH1 9.988 H A 0055 ARG NH2
H A 0054 ARG NH2 10.56 H A 0055 ARG NH1
H A 0054 ARG NH1 10.40 C A 0064 LYS NZ
H A 0055 ARG NH1 7.365 C A 0064 LYS NZ
H A 0055 ARG NH2 6.062 C A 0064 LYS NZ
H A 0055 ARG NH1 11.30 C A 0074 LYS NZ
H A 0055 ARG NH2 9.442 C A 0074 LYS NZ
H A 0059 ASP OD1 5.255 H A 0072 ASP OD1
H A 0059 ASP OD1 4.565 H A 0072 ASP OD2
H A 0059 ASP OD2 5.945 H A 0072 ASP OD1
H A 0059 ASP OD2 6.036 H A 0072 ASP OD2
H A 0059 ASP OD1 11.57 C A 0078 GLU OE2
H A 0059 ASP OD2 11.86 C A 0078 GLU OE2
C A 0064 LYS NZ 10.11 C A 0065 LYS NZ
H A 0072 ASP OD1 9.375 C A 0078 GLU OE1
H A 0072 ASP OD1 7.350 C A 0078 GLU OE2
H A 0072 ASP OD2 10.54 C A 0078 GLU OE1
H A 0072 ASP OD2 8.585 C A 0078 GLU OE2
C A 0074 LYS NZ 10.56 C A 0077 LYS NZ
HB_MM 2.00 3.20 159
C A 0001 GLY N 2.837 C A 0076 CYS O
C A 0002 TYR N 2.270 C A 0001 GLY O
H A 0003 PHE N 2.686 C A 0001 GLY O
H A 0003 PHE N 2.248 C A 0002 TYR O
H A 0004 CYS N 2.779 C A 0002 TYR O
H A 0004 CYS N 2.231 H A 0003 PHE O
H A 0005 GLU N 2.855 C A 0002 TYR O
H A 0005 GLU N 2.254 H A 0004 CYS O
H A 0006 SER N 2.268 H A 0005 GLU O
H A 0007 CYS N 2.718 H A 0003 PHE O
H A 0007 CYS N 2.241 H A 0006 SER O
H A 0008 ARG N 2.922 H A 0004 CYS O
H A 0008 ARG N 3.185 H A 0005 GLU O
H A 0008 ARG N 2.248 H A 0007 CYS O
H A 0009 LYS N 2.861 H A 0005 GLU O
H A 0009 LYS N 2.242 H A 0008 ARG O
H A 0010 ILE N 2.811 H A 0006 SER O
H A 0010 ILE N 2.256 H A 0009 LYS O
H A 0011 ILE N 2.841 H A 0007 CYS O
H A 0011 ILE N 2.253 H A 0010 ILE O
H A 0012 GLN N 2.882 H A 0008 ARG O
H A 0012 GLN N 2.235 H A 0011 ILE O
H A 0013 LYS N 3.048 H A 0009 LYS O
H A 0013 LYS N 2.239 H A 0012 GLN O
H A 0014 LEU N 3.183 H A 0010 ILE O
H A 0014 LEU N 2.957 H A 0011 ILE O
H A 0014 LEU N 2.261 H A 0013 LYS O
H A 0015 GLU N 2.821 H A 0011 ILE O
H A 0015 GLU N 2.252 H A 0014 LEU O
H A 0016 ASP N 2.946 H A 0012 GLN O
H A 0016 ASP N 2.250 H A 0015 GLU O
H A 0017 MET N 2.969 H A 0013 LYS O
H A 0017 MET N 3.097 H A 0014 LEU O
H A 0017 MET N 2.244 H A 0016 ASP O
H A 0018 VAL N 2.797 H A 0014 LEU O
H A 0018 VAL N 2.248 H A 0017 MET O
C A 0019 GLY N 3.007 H A 0015 GLU O
C A 0019 GLY N 2.257 H A 0018 VAL O
C A 0020 PRO N 2.250 C A 0019 GLY O
C A 0021 GLN N 2.267 C A 0020 PRO O
C A 0022 PRO N 3.095 C A 0020 PRO O
C A 0022 PRO N 2.252 C A 0021 GLN O
C A 0023 ASN N 2.234 C A 0022 PRO O
H A 0024 GLU N 2.259 C A 0023 ASN O
H A 0025 ASP N 3.033 C A 0023 ASN O
H A 0025 ASP N 2.254 H A 0024 GLU O
H A 0026 THR N 2.992 C A 0023 ASN O
H A 0026 THR N 2.246 H A 0025 ASP O
H A 0027 VAL N 2.930 C A 0023 ASN O
H A 0027 VAL N 3.103 H A 0025 ASP O
H A 0027 VAL N 2.236 H A 0026 THR O
H A 0028 THR N 3.125 H A 0024 GLU O
H A 0028 THR N 2.784 H A 0025 ASP O
H A 0028 THR N 2.236 H A 0027 VAL O
H A 0029 GLN N 2.833 H A 0025 ASP O
H A 0029 GLN N 2.252 H A 0028 THR O
H A 0030 ALA N 2.802 H A 0026 THR O
H A 0030 ALA N 2.249 H A 0029 GLN O
H A 0031 ALA N 2.819 H A 0027 VAL O
H A 0031 ALA N 3.181 H A 0029 GLN O
H A 0031 ALA N 2.241 H A 0030 ALA O
H A 0032 SER N 2.943 H A 0028 THR O
H A 0032 SER N 2.220 H A 0031 ALA O
H A 0033 GLN N 2.988 H A 0029 GLN O
H A 0033 GLN N 3.066 H A 0031 ALA O
H A 0033 GLN N 2.265 H A 0032 SER O
H A 0034 VAL N 2.670 H A 0030 ALA O
H A 0034 VAL N 2.912 H A 0031 ALA O
H A 0034 VAL N 2.246 H A 0033 GLN O
H A 0035 CYS N 2.254 H A 0034 VAL O
H A 0036 ASP N 2.255 H A 0035 CYS O
H A 0037 LYS N 2.895 H A 0033 GLN O
H A 0037 LYS N 2.253 H A 0036 ASP O
C A 0038 LEU N 2.877 H A 0034 VAL O
C A 0038 LEU N 2.243 H A 0037 LYS O
C A 0039 LYS N 2.980 H A 0037 LYS O
C A 0039 LYS N 2.239 C A 0038 LEU O
C A 0040 ILE N 2.257 C A 0039 LYS O
C A 0041 LEU N 2.866 C A 0039 LYS O
C A 0041 LEU N 2.232 C A 0040 ILE O
H A 0042 ARG N 3.045 C A 0038 LEU O
H A 0042 ARG N 3.070 C A 0040 ILE O
H A 0042 ARG N 2.248 C A 0041 LEU O
H A 0043 GLY N 2.251 H A 0042 ARG O
H A 0044 LEU N 2.256 H A 0043 GLY O
H A 0045 CYS N 3.152 C A 0041 LEU O
H A 0045 CYS N 2.251 H A 0044 LEU O
H A 0046 LYS N 2.867 H A 0042 ARG O
H A 0046 LYS N 2.247 H A 0045 CYS O
H A 0047 LYS N 2.990 H A 0043 GLY O
H A 0047 LYS N 3.144 H A 0045 CYS O
H A 0047 LYS N 2.249 H A 0046 LYS O
H A 0048 ILE N 2.955 H A 0044 LEU O
H A 0048 ILE N 2.984 H A 0045 CYS O
H A 0048 ILE N 2.258 H A 0047 LYS O
H A 0049 MET N 2.884 H A 0045 CYS O
H A 0049 MET N 2.243 H A 0048 ILE O
H A 0050 ARG N 2.891 H A 0046 LYS O
H A 0050 ARG N 2.223 H A 0049 MET O
H A 0051 SER N 2.948 H A 0047 LYS O
H A 0051 SER N 3.038 H A 0048 ILE O
H A 0051 SER N 2.253 H A 0050 ARG O
C A 0052 PHE N 2.790 H A 0048 ILE O
C A 0052 PHE N 2.239 H A 0051 SER O
H A 0053 LEU N 2.875 H A 0049 MET O
H A 0053 LEU N 2.227 C A 0052 PHE O
H A 0054 ARG N 2.242 H A 0053 LEU O
H A 0055 ARG N 3.109 C A 0052 PHE O
H A 0055 ARG N 3.060 H A 0053 LEU O
H A 0055 ARG N 2.249 H A 0054 ARG O
H A 0056 ILE N 2.887 C A 0052 PHE O
H A 0056 ILE N 2.964 H A 0053 LEU O
H A 0056 ILE N 2.231 H A 0055 ARG O
H A 0057 SER N 3.042 H A 0053 LEU O
H A 0057 SER N 2.976 H A 0055 ARG O
H A 0057 SER N 2.247 H A 0056 ILE O
H A 0058 TRP N 3.092 H A 0054 ARG O
H A 0058 TRP N 2.942 H A 0055 ARG O
H A 0058 TRP N 2.234 H A 0057 SER O
H A 0059 ASP N 2.863 H A 0055 ARG O
H A 0059 ASP N 3.187 H A 0057 SER O
H A 0059 ASP N 2.247 H A 0058 TRP O
H A 0060 ILE N 3.132 H A 0056 ILE O
H A 0060 ILE N 2.252 H A 0059 ASP O
H A 0061 LEU N 2.803 H A 0057 SER O
H A 0061 LEU N 2.241 H A 0060 ILE O
C A 0062 THR N 2.844 H A 0058 TRP O
C A 0062 THR N 2.237 H A 0061 LEU O
C A 0063 GLY N 2.829 H A 0060 ILE O
C A 0063 GLY N 2.249 C A 0062 THR O
C A 0064 LYS N 3.019 H A 0059 ASP O
C A 0064 LYS N 3.116 C A 0062 THR O
C A 0064 LYS N 2.243 C A 0063 GLY O
C A 0065 LYS N 2.232 C A 0064 LYS O
H A 0066 PRO N 2.242 C A 0065 LYS O
H A 0067 GLN N 2.254 H A 0066 PRO O
H A 0068 ALA N 3.087 C A 0065 LYS O
H A 0068 ALA N 3.166 H A 0066 PRO O
H A 0068 ALA N 2.253 H A 0067 GLN O
H A 0069 ILE N 2.868 C A 0065 LYS O
H A 0069 ILE N 3.081 H A 0066 PRO O
H A 0069 ILE N 2.235 H A 0068 ALA O
H A 0070 CYS N 2.879 H A 0066 PRO O
H A 0070 CYS N 2.239 H A 0069 ILE O
H A 0071 VAL N 3.059 H A 0067 GLN O
H A 0071 VAL N 2.244 H A 0070 CYS O
H A 0072 ASP N 2.857 H A 0068 ALA O
H A 0072 ASP N 3.174 H A 0069 ILE O
H A 0072 ASP N 2.242 H A 0071 VAL O
C A 0073 ILE N 3.007 H A 0069 ILE O
C A 0073 ILE N 2.244 H A 0072 ASP O
C A 0074 LYS N 2.902 H A 0071 VAL O
C A 0074 LYS N 2.253 C A 0073 ILE O
C A 0075 ILE N 2.771 H A 0070 CYS O
C A 0075 ILE N 2.242 C A 0074 LYS O
C A 0076 CYS N 3.006 H A 0070 CYS O
C A 0076 CYS N 2.231 C A 0075 ILE O
C A 0077 LYS N 2.267 C A 0076 CYS O
C A 0078 GLU N 2.264 C A 0077 LYS O
HB_MS 2.00 3.20 11
H A 0006 SER N 2.939 H A 0005 GLU OE1
H A 0024 GLU O 2.718 H A 0028 THR OG1
H A 0028 THR O 2.722 H A 0032 SER OG
H A 0029 GLN O 3.168 H A 0032 SER OG
H A 0032 SER O 2.923 H A 0046 LYS NZ
H A 0036 ASP O 2.708 H A 0042 ARG NH1
H A 0058 TRP O 2.686 C A 0062 THR OG1
H A 0059 ASP O 3.134 C A 0062 THR OG1
C A 0063 GLY O 2.835 C A 0065 LYS NZ
H A 0068 ALA N 3.004 H A 0067 GLN OE1
C A 0078 GLU O 2.682 C A 0077 LYS NZ
HB_SS 2.00 3.20 8
H A 0005 GLU OE1 2.678 C A 0002 TYR OH
H A 0005 GLU OE1 3.181 H A 0006 SER OG
H A 0008 ARG NH2 2.765 H A 0012 GLN OE1
H A 0015 GLU OE1 2.771 H A 0012 GLN NE2
H A 0024 GLU OE1 2.526 H A 0057 SER OG
H A 0025 ASP OD2 2.782 H A 0029 GLN NE2
H A 0026 THR OG1 2.604 C A 0023 ASN OD1
H A 0046 LYS NZ 2.898 H A 0033 GLN OE1
AROMATIC 0.00 8.00 3
H A 0009 LYS 7.915 C A 0002 TYR
H A 0054 ARG 7.058 H A 0058 TRP
C A 0064 LYS 3.983 H A 0058 TRP
SS_BOND 1.50 2.80 3
H A 0004 CYS SG 2.039 C A 0076 CYS SG
H A 0007 CYS SG 2.030 H A 0070 CYS SG
H A 0035 CYS SG 2.012 H A 0045 CYS SG