Complet list of 1wh9 con file
Complete list of 1wh9.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 366
C A 0001 GLY C 2.461 C A 0002 SER CA
C A 0001 GLY C 3.703 C A 0002 SER C
C A 0001 GLY C 3.153 C A 0002 SER CB
C A 0001 GLY CA 3.679 E A 0029 GLU CD
C A 0002 SER C 2.479 C A 0003 SER CA
C A 0002 SER C 3.172 C A 0003 SER C
C A 0002 SER C 3.710 C A 0003 SER CB
C A 0003 SER C 2.475 C A 0004 GLY CA
C A 0003 SER C 3.676 C A 0004 GLY C
C A 0004 GLY C 2.453 C A 0005 SER CA
C A 0004 GLY C 2.975 C A 0005 SER C
C A 0004 GLY C 3.686 C A 0005 SER CB
C A 0005 SER C 2.504 C A 0006 SER CA
C A 0005 SER C 3.048 C A 0006 SER CB
C A 0006 SER C 2.457 H A 0007 GLY CA
C A 0006 SER C 3.158 H A 0007 GLY C
H A 0007 GLY C 2.493 H A 0008 PHE CA
H A 0007 GLY C 3.012 H A 0008 PHE C
H A 0007 GLY C 3.704 H A 0008 PHE CB
H A 0008 PHE C 2.448 H A 0009 LYS CA
H A 0008 PHE C 3.025 H A 0009 LYS C
H A 0008 PHE C 3.725 H A 0009 LYS CB
H A 0008 PHE CE2 3.720 H A 0012 LEU CD2
H A 0008 PHE CZ 3.749 H A 0012 LEU CD1
H A 0008 PHE CZ 3.509 H A 0012 LEU CD2
H A 0008 PHE CD1 3.492 H A 0068 PHE CD1
H A 0008 PHE CD1 3.743 H A 0068 PHE CE1
H A 0008 PHE CE1 3.731 H A 0068 PHE CG
H A 0008 PHE CE1 3.396 H A 0068 PHE CD1
H A 0008 PHE CE1 3.743 H A 0068 PHE CE1
H A 0008 PHE CE1 3.615 C A 0070 PHE CE2
H A 0008 PHE CE1 3.599 C A 0070 PHE CZ
H A 0008 PHE CZ 3.686 C A 0070 PHE CE2
H A 0008 PHE CZ 3.422 C A 0070 PHE CZ
H A 0009 LYS C 2.446 H A 0010 ALA CA
H A 0009 LYS C 3.143 H A 0010 ALA C
H A 0009 LYS C 3.673 H A 0010 ALA CB
H A 0009 LYS CE 3.671 E A 0028 VAL C
H A 0010 ALA C 2.456 H A 0011 GLU CA
H A 0010 ALA C 3.043 H A 0011 GLU C
H A 0010 ALA C 3.729 H A 0011 GLU CB
H A 0011 GLU C 2.448 H A 0012 LEU CA
H A 0011 GLU C 3.057 H A 0012 LEU C
H A 0011 GLU C 3.679 H A 0012 LEU CB
H A 0011 GLU CB 3.760 H A 0068 PHE CE1
H A 0012 LEU C 2.457 H A 0013 ASN CA
H A 0012 LEU C 3.088 H A 0013 ASN C
H A 0012 LEU C 3.719 H A 0013 ASN CB
H A 0012 LEU CD2 3.679 E A 0039 ILE CG2
H A 0012 LEU CA 3.713 H A 0068 PHE CZ
H A 0012 LEU CD1 3.457 H A 0068 PHE CE2
H A 0012 LEU CD1 3.701 H A 0068 PHE CZ
H A 0013 ASN C 2.474 H A 0014 GLU CA
H A 0013 ASN C 3.016 H A 0014 GLU C
H A 0013 ASN C 3.756 H A 0014 GLU CB
H A 0014 GLU C 2.469 H A 0015 PHE CA
H A 0014 GLU C 3.012 H A 0015 PHE C
H A 0014 GLU C 3.747 H A 0015 PHE CB
H A 0015 PHE C 2.477 H A 0016 LEU CA
H A 0015 PHE C 3.097 H A 0016 LEU C
H A 0015 PHE C 3.729 H A 0016 LEU CB
H A 0015 PHE CE1 3.615 H A 0019 GLU CG
H A 0015 PHE CE1 3.727 H A 0019 GLU CD
H A 0015 PHE CE2 3.663 H A 0019 GLU CG
H A 0015 PHE CZ 3.347 H A 0019 GLU CG
H A 0015 PHE CZ 3.689 H A 0019 GLU CD
H A 0015 PHE CE2 3.646 H A 0064 VAL CG2
H A 0016 LEU C 2.449 H A 0017 THR CA
H A 0016 LEU C 2.965 H A 0017 THR C
H A 0016 LEU C 3.726 H A 0017 THR CB
H A 0016 LEU CB 3.636 E A 0025 TYR CE1
H A 0016 LEU CB 3.440 E A 0025 TYR CZ
H A 0016 LEU CD1 3.579 E A 0041 ILE CG1
H A 0017 THR C 2.435 H A 0018 ARG CA
H A 0017 THR C 3.043 H A 0018 ARG C
H A 0017 THR C 3.706 H A 0018 ARG CB
H A 0017 THR CA 3.587 E A 0025 TYR CD2
H A 0018 ARG C 2.458 H A 0019 GLU CA
H A 0018 ARG C 3.025 H A 0019 GLU C
H A 0018 ARG C 3.728 H A 0019 GLU CB
H A 0019 GLU C 2.476 H A 0020 LEU CA
H A 0019 GLU C 3.533 H A 0020 LEU C
H A 0019 GLU C 3.452 H A 0020 LEU CB
H A 0019 GLU C 3.562 H A 0020 LEU CG
H A 0020 LEU C 2.480 C A 0021 ALA CA
H A 0020 LEU C 2.985 C A 0021 ALA C
H A 0020 LEU C 3.737 C A 0021 ALA CB
H A 0020 LEU CB 3.733 E A 0025 TYR CB
H A 0020 LEU CD1 3.560 E A 0025 TYR CD1
H A 0020 LEU CD1 3.790 H A 0049 VAL CG1
C A 0021 ALA C 2.442 C A 0022 GLU CA
C A 0021 ALA C 3.174 C A 0022 GLU C
C A 0021 ALA C 3.683 C A 0022 GLU CB
C A 0022 GLU C 2.472 C A 0023 ASP CA
C A 0022 GLU C 3.036 C A 0023 ASP C
C A 0022 GLU C 3.779 C A 0023 ASP CB
C A 0023 ASP C 2.453 C A 0024 GLY CA
C A 0023 ASP C 3.541 C A 0024 GLY C
C A 0024 GLY C 2.465 E A 0025 TYR CA
C A 0024 GLY C 3.069 E A 0025 TYR C
C A 0024 GLY C 3.690 E A 0025 TYR CB
E A 0025 TYR C 2.482 E A 0026 SER CA
E A 0025 TYR C 3.673 E A 0026 SER C
E A 0025 TYR C 3.297 E A 0026 SER CB
E A 0025 TYR CE1 3.780 E A 0027 GLY C
E A 0025 TYR CE2 3.782 E A 0027 GLY CA
E A 0025 TYR CZ 3.615 E A 0027 GLY CA
E A 0025 TYR CZ 3.490 E A 0027 GLY C
E A 0025 TYR CD1 3.489 E A 0041 ILE CG2
E A 0025 TYR CE1 3.379 E A 0041 ILE CG2
E A 0026 SER C 2.442 E A 0027 GLY CA
E A 0026 SER C 3.680 E A 0027 GLY C
E A 0027 GLY CA 3.795 E A 0028 VAL CA
E A 0027 GLY C 2.451 E A 0028 VAL CA
E A 0027 GLY C 3.588 E A 0028 VAL C
E A 0027 GLY C 3.240 E A 0028 VAL CB
E A 0028 VAL C 2.475 E A 0029 GLU CA
E A 0028 VAL C 3.447 E A 0029 GLU C
E A 0028 VAL C 3.537 E A 0029 GLU CB
E A 0028 VAL CG2 3.740 E A 0039 ILE CG2
E A 0029 GLU CA 3.793 E A 0030 VAL CA
E A 0029 GLU C 2.444 E A 0030 VAL CA
E A 0029 GLU C 3.561 E A 0030 VAL C
E A 0029 GLU C 3.302 E A 0030 VAL CB
E A 0030 VAL C 2.459 E A 0031 ARG CA
E A 0030 VAL C 3.524 E A 0031 ARG C
E A 0030 VAL C 3.435 E A 0031 ARG CB
E A 0030 VAL C 3.428 E A 0031 ARG CG
E A 0031 ARG CA 3.800 E A 0032 VAL CA
E A 0031 ARG C 2.441 E A 0032 VAL CA
E A 0031 ARG C 3.496 E A 0032 VAL C
E A 0031 ARG C 3.338 E A 0032 VAL CB
E A 0032 VAL CA 3.788 C A 0033 THR CA
E A 0032 VAL C 2.445 C A 0033 THR CA
E A 0032 VAL C 3.471 C A 0033 THR C
E A 0032 VAL C 3.428 C A 0033 THR CB
E A 0032 VAL C 3.384 C A 0033 THR CG2
C A 0033 THR CA 2.998 C A 0034 PRO CD
C A 0033 THR C 2.439 C A 0034 PRO CA
C A 0033 THR C 3.141 C A 0034 PRO C
C A 0033 THR C 3.630 C A 0034 PRO CB
C A 0033 THR C 3.699 C A 0034 PRO CG
C A 0033 THR C 2.504 C A 0034 PRO CD
C A 0033 THR CB 3.248 C A 0034 PRO CD
C A 0034 PRO C 2.462 C A 0035 THR CA
C A 0034 PRO C 3.559 C A 0035 THR C
C A 0034 PRO C 3.421 C A 0035 THR CB
C A 0034 PRO C 3.295 C A 0035 THR CG2
C A 0035 THR C 2.477 C A 0036 ARG CA
C A 0035 THR C 3.726 C A 0036 ARG C
C A 0035 THR C 3.156 C A 0036 ARG CB
C A 0036 ARG CA 3.785 E A 0037 THR CA
C A 0036 ARG C 2.437 E A 0037 THR CA
C A 0036 ARG C 3.199 E A 0037 THR C
C A 0036 ARG C 3.630 E A 0037 THR CB
C A 0036 ARG CB 3.658 C A 0074 SER CA
C A 0036 ARG CB 3.711 C A 0074 SER C
E A 0037 THR C 2.482 E A 0038 GLU CA
E A 0037 THR C 3.516 E A 0038 GLU C
E A 0037 THR C 3.468 E A 0038 GLU CB
E A 0037 THR C 3.576 E A 0038 GLU CG
E A 0037 THR CB 3.707 C A 0070 PHE CE1
E A 0037 THR CG2 3.711 C A 0070 PHE CE1
E A 0038 GLU C 2.474 E A 0039 ILE CA
E A 0038 GLU C 3.542 E A 0039 ILE C
E A 0038 GLU C 3.417 E A 0039 ILE CB
E A 0038 GLU C 3.412 E A 0039 ILE CG1
E A 0039 ILE C 2.468 E A 0040 ILE CA
E A 0039 ILE C 3.528 E A 0040 ILE C
E A 0039 ILE C 3.462 E A 0040 ILE CB
E A 0039 ILE C 3.547 E A 0040 ILE CG1
E A 0039 ILE C 3.604 E A 0040 ILE CD1
E A 0039 ILE CD1 3.699 E A 0075 VAL CG2
E A 0040 ILE C 2.455 E A 0041 ILE CA
E A 0040 ILE C 3.018 E A 0041 ILE C
E A 0040 ILE C 3.736 E A 0041 ILE CB
E A 0040 ILE CG2 3.796 E A 0080 GLU CB
E A 0041 ILE C 2.499 E A 0042 LEU CA
E A 0041 ILE C 3.460 E A 0042 LEU C
E A 0041 ILE C 3.543 E A 0042 LEU CB
E A 0041 ILE C 3.689 E A 0042 LEU CG
E A 0042 LEU C 2.457 E A 0043 ALA CA
E A 0042 LEU C 3.654 E A 0043 ALA C
E A 0042 LEU C 3.322 E A 0043 ALA CB
E A 0043 ALA C 2.471 C A 0044 THR CA
E A 0043 ALA C 3.086 C A 0044 THR C
E A 0043 ALA C 3.735 C A 0044 THR CB
E A 0043 ALA CB 3.581 H A 0049 VAL CG2
E A 0043 ALA C 3.665 C A 0082 VAL CG2
C A 0044 THR C 2.501 H A 0045 ARG CA
C A 0044 THR C 3.627 H A 0045 ARG C
C A 0044 THR C 3.422 H A 0045 ARG CB
C A 0044 THR C 3.412 H A 0045 ARG CG
H A 0045 ARG C 2.461 H A 0046 THR CA
H A 0045 ARG C 3.007 H A 0046 THR C
H A 0045 ARG C 3.755 H A 0046 THR CB
H A 0046 THR C 2.458 H A 0047 GLN CA
H A 0046 THR C 3.059 H A 0047 GLN C
H A 0046 THR C 3.755 H A 0047 GLN CB
H A 0046 THR CG2 3.436 E A 0080 GLU C
H A 0047 GLN C 2.452 H A 0048 ASN CA
H A 0047 GLN C 3.035 H A 0048 ASN C
H A 0047 GLN C 3.754 H A 0048 ASN CB
H A 0048 ASN C 2.467 H A 0049 VAL CA
H A 0048 ASN C 3.085 H A 0049 VAL C
H A 0048 ASN C 3.719 H A 0049 VAL CB
H A 0049 VAL C 2.461 H A 0050 LEU CA
H A 0049 VAL C 3.158 H A 0050 LEU C
H A 0049 VAL C 3.719 H A 0050 LEU CB
H A 0050 LEU C 2.462 H A 0051 GLY CA
H A 0050 LEU C 3.182 H A 0051 GLY C
H A 0050 LEU CD2 3.662 H A 0057 ILE CG2
H A 0050 LEU CD2 3.663 H A 0057 ILE CD1
H A 0051 GLY C 2.463 C A 0052 GLU CA
H A 0051 GLY C 2.983 C A 0052 GLU C
H A 0051 GLY C 3.770 C A 0052 GLU CB
C A 0052 GLU C 2.497 C A 0053 LYS CA
C A 0052 GLU C 2.978 C A 0053 LYS C
C A 0052 GLU C 3.306 C A 0053 LYS CB
C A 0053 LYS C 2.441 H A 0054 GLY CA
C A 0053 LYS C 3.277 H A 0054 GLY C
H A 0054 GLY C 2.488 H A 0055 ARG CA
H A 0054 GLY C 2.985 H A 0055 ARG C
H A 0054 GLY C 3.738 H A 0055 ARG CB
H A 0054 GLY CA 3.597 H A 0057 ILE CG2
H A 0054 GLY C 3.645 H A 0057 ILE CG2
H A 0055 ARG CA 3.785 H A 0056 ARG CA
H A 0055 ARG C 2.439 H A 0056 ARG CA
H A 0055 ARG C 3.046 H A 0056 ARG C
H A 0055 ARG C 3.712 H A 0056 ARG CB
H A 0056 ARG C 2.442 H A 0057 ILE CA
H A 0056 ARG C 3.038 H A 0057 ILE C
H A 0056 ARG C 3.734 H A 0057 ILE CB
H A 0057 ILE C 2.453 H A 0058 ARG CA
H A 0057 ILE C 2.993 H A 0058 ARG C
H A 0057 ILE C 3.726 H A 0058 ARG CB
H A 0057 ILE CD1 3.769 E A 0077 LEU C
H A 0058 ARG C 2.440 H A 0059 GLU CA
H A 0058 ARG C 3.011 H A 0059 GLU C
H A 0058 ARG C 3.724 H A 0059 GLU CB
H A 0059 GLU C 2.465 H A 0060 LEU CA
H A 0059 GLU C 3.055 H A 0060 LEU C
H A 0059 GLU C 3.758 H A 0060 LEU CB
H A 0060 LEU C 2.452 H A 0061 THR CA
H A 0060 LEU C 3.002 H A 0061 THR C
H A 0060 LEU C 3.750 H A 0061 THR CB
H A 0060 LEU CA 3.396 H A 0063 VAL CG1
H A 0060 LEU C 3.619 H A 0063 VAL CG1
H A 0061 THR C 2.475 H A 0062 ALA CA
H A 0061 THR C 3.084 H A 0062 ALA C
H A 0061 THR C 3.733 H A 0062 ALA CB
H A 0061 THR CA 3.636 E A 0077 LEU CD2
H A 0062 ALA C 2.448 H A 0063 VAL CA
H A 0062 ALA C 2.995 H A 0063 VAL C
H A 0062 ALA C 3.732 H A 0063 VAL CB
H A 0063 VAL C 2.471 H A 0064 VAL CA
H A 0063 VAL C 3.028 H A 0064 VAL C
H A 0063 VAL C 3.746 H A 0064 VAL CB
H A 0064 VAL C 2.468 H A 0065 GLN CA
H A 0064 VAL C 2.977 H A 0065 GLN C
H A 0064 VAL C 3.728 H A 0065 GLN CB
H A 0064 VAL CG1 3.704 C A 0070 PHE CD2
H A 0064 VAL CG1 3.747 C A 0070 PHE CE2
H A 0065 GLN C 2.464 H A 0066 LYS CA
H A 0065 GLN C 3.110 H A 0066 LYS C
H A 0065 GLN C 3.676 H A 0066 LYS CB
H A 0065 GLN CG 3.650 E A 0075 VAL CG1
H A 0066 LYS C 2.481 H A 0067 ARG CA
H A 0066 LYS C 3.092 H A 0067 ARG C
H A 0066 LYS C 3.723 H A 0067 ARG CB
H A 0067 ARG C 2.472 H A 0068 PHE CA
H A 0067 ARG C 3.420 H A 0068 PHE C
H A 0067 ARG C 3.557 H A 0068 PHE CB
H A 0067 ARG C 3.767 H A 0068 PHE CG
H A 0067 ARG CB 3.634 H A 0068 PHE CD2
H A 0067 ARG CD 3.700 H A 0068 PHE CE2
H A 0068 PHE C 2.473 H A 0069 GLY CA
H A 0068 PHE C 3.315 H A 0069 GLY C
H A 0068 PHE CB 3.663 C A 0070 PHE CD2
H A 0068 PHE CB 3.515 C A 0070 PHE CE2
H A 0069 GLY C 2.462 C A 0070 PHE CA
H A 0069 GLY C 3.089 C A 0070 PHE C
H A 0069 GLY C 3.723 C A 0070 PHE CB
C A 0070 PHE CA 2.954 C A 0071 PRO CD
C A 0070 PHE C 2.454 C A 0071 PRO CA
C A 0070 PHE C 3.083 C A 0071 PRO C
C A 0070 PHE C 3.678 C A 0071 PRO CB
C A 0070 PHE C 3.719 C A 0071 PRO CG
C A 0070 PHE C 2.504 C A 0071 PRO CD
C A 0070 PHE CB 3.759 C A 0071 PRO CD
C A 0070 PHE CB 3.690 E A 0075 VAL CB
C A 0070 PHE CB 3.644 E A 0075 VAL CG1
C A 0070 PHE CG 3.627 E A 0075 VAL CB
C A 0070 PHE CG 3.644 E A 0075 VAL CG2
C A 0070 PHE CD1 3.618 E A 0075 VAL CB
C A 0070 PHE CD1 3.686 E A 0075 VAL CG2
C A 0071 PRO C 2.451 C A 0072 GLU CA
C A 0071 PRO C 3.139 C A 0072 GLU C
C A 0071 PRO C 3.671 C A 0072 GLU CB
C A 0071 PRO CG 3.769 C A 0074 SER CB
C A 0072 GLU C 2.471 C A 0073 GLY CA
C A 0072 GLU C 3.184 C A 0073 GLY C
C A 0073 GLY C 2.484 C A 0074 SER CA
C A 0073 GLY C 3.556 C A 0074 SER C
C A 0073 GLY C 3.442 C A 0074 SER CB
C A 0074 SER C 2.464 E A 0075 VAL CA
C A 0074 SER C 3.452 E A 0075 VAL C
C A 0074 SER C 3.473 E A 0075 VAL CB
E A 0075 VAL C 2.452 E A 0076 GLU CA
E A 0075 VAL C 3.510 E A 0076 GLU C
E A 0075 VAL C 3.452 E A 0076 GLU CB
E A 0075 VAL CG2 3.760 E A 0077 LEU CD1
E A 0076 GLU C 2.468 E A 0077 LEU CA
E A 0076 GLU C 3.474 E A 0077 LEU C
E A 0076 GLU C 3.504 E A 0077 LEU CB
E A 0076 GLU C 3.569 E A 0077 LEU CD1
E A 0076 GLU CB 3.578 E A 0078 TYR CE2
E A 0076 GLU CB 3.629 E A 0078 TYR CZ
E A 0077 LEU C 2.496 E A 0078 TYR CA
E A 0077 LEU C 3.581 E A 0078 TYR C
E A 0077 LEU C 3.427 E A 0078 TYR CB
E A 0077 LEU C 3.453 E A 0078 TYR CG
E A 0078 TYR C 2.457 E A 0079 ALA CA
E A 0078 TYR C 3.595 E A 0079 ALA C
E A 0078 TYR C 3.342 E A 0079 ALA CB
E A 0079 ALA C 2.473 E A 0080 GLU CA
E A 0079 ALA C 3.331 E A 0080 GLU C
E A 0079 ALA C 3.644 E A 0080 GLU CB
E A 0080 GLU CA 3.784 E A 0081 LYS CA
E A 0080 GLU C 2.441 E A 0081 LYS CA
E A 0080 GLU C 3.306 E A 0081 LYS C
E A 0080 GLU C 3.544 E A 0081 LYS CB
E A 0081 LYS C 2.434 C A 0082 VAL CA
E A 0081 LYS C 3.138 C A 0082 VAL C
E A 0081 LYS C 3.681 C A 0082 VAL CB
C A 0082 VAL C 2.472 C A 0083 ALA CA
C A 0082 VAL C 3.690 C A 0083 ALA C
C A 0082 VAL C 3.134 C A 0083 ALA CB
C A 0083 ALA C 2.439 C A 0084 THR CA
C A 0083 ALA C 3.079 C A 0084 THR C
C A 0083 ALA C 3.689 C A 0084 THR CB
C A 0084 THR CA 3.783 C A 0085 ARG CA
C A 0084 THR C 2.421 C A 0085 ARG CA
C A 0084 THR C 2.956 C A 0085 ARG C
C A 0084 THR C 3.711 C A 0085 ARG CB
C A 0085 ARG C 2.454 C A 0086 GLY CA
C A 0085 ARG C 3.376 C A 0086 GLY C
C A 0086 GLY C 2.493 C A 0087 SER CA
C A 0086 GLY C 3.137 C A 0087 SER C
C A 0086 GLY C 3.128 C A 0087 SER CB
C A 0087 SER C 2.462 C A 0088 GLY CA
C A 0087 SER C 3.389 C A 0088 GLY C
C A 0088 GLY CA 2.922 C A 0089 PRO CD
C A 0088 GLY C 2.449 C A 0089 PRO CA
C A 0088 GLY C 3.046 C A 0089 PRO C
C A 0088 GLY C 3.660 C A 0089 PRO CB
C A 0088 GLY C 3.699 C A 0089 PRO CG
C A 0088 GLY C 2.494 C A 0089 PRO CD
C A 0089 PRO C 2.482 C A 0090 SER CA
C A 0089 PRO C 3.644 C A 0090 SER C
C A 0089 PRO C 3.282 C A 0090 SER CB
C A 0090 SER C 2.493 C A 0091 SER CA
C A 0090 SER C 3.197 C A 0091 SER C
C A 0090 SER C 3.083 C A 0091 SER CB
C A 0091 SER C 2.508 C A 0092 GLY CA
C A 0091 SER C 3.682 C A 0092 GLY C
CHARGE_ATTR 2.00 12.00 98
H A 0011 GLU OE1 11.72 H A 0018 ARG NH2
H A 0011 GLU OE2 11.73 H A 0018 ARG NH2
H A 0011 GLU OE1 4.316 H A 0067 ARG NH1
H A 0011 GLU OE1 5.418 H A 0067 ARG NH2
H A 0011 GLU OE2 6.334 H A 0067 ARG NH1
H A 0011 GLU OE2 7.266 H A 0067 ARG NH2
H A 0014 GLU OE1 6.369 H A 0018 ARG NH1
H A 0014 GLU OE1 5.139 H A 0018 ARG NH2
H A 0014 GLU OE2 6.839 H A 0018 ARG NH1
H A 0014 GLU OE2 5.020 H A 0018 ARG NH2
H A 0014 GLU OE1 8.012 H A 0067 ARG NH1
H A 0014 GLU OE1 9.493 H A 0067 ARG NH2
H A 0014 GLU OE2 9.873 H A 0067 ARG NH1
H A 0014 GLU OE2 11.48 H A 0067 ARG NH2
H A 0019 GLU OE1 10.67 H A 0018 ARG NH1
H A 0019 GLU OE1 11.34 H A 0018 ARG NH2
H A 0019 GLU OE2 9.579 H A 0018 ARG NH1
H A 0019 GLU OE2 10.25 H A 0018 ARG NH2
H A 0019 GLU OE1 8.534 H A 0056 ARG NH1
H A 0019 GLU OE1 9.224 H A 0056 ARG NH2
H A 0019 GLU OE2 10.61 H A 0056 ARG NH1
H A 0019 GLU OE2 11.31 H A 0056 ARG NH2
H A 0019 GLU OE1 11.01 H A 0066 LYS NZ
H A 0019 GLU OE2 10.27 H A 0066 LYS NZ
H A 0019 GLU OE1 9.877 H A 0067 ARG NH1
H A 0019 GLU OE1 11.22 H A 0067 ARG NH2
H A 0019 GLU OE2 7.881 H A 0067 ARG NH1
H A 0019 GLU OE2 9.191 H A 0067 ARG NH2
C A 0022 GLU OE1 9.264 H A 0045 ARG NH1
C A 0022 GLU OE1 8.709 H A 0045 ARG NH2
C A 0022 GLU OE2 9.823 H A 0045 ARG NH1
C A 0022 GLU OE2 8.758 H A 0045 ARG NH2
C A 0022 GLU OE1 10.39 H A 0056 ARG NH2
C A 0022 GLU OE2 11.92 H A 0056 ARG NH2
C A 0023 ASP OD1 11.94 H A 0018 ARG NH1
C A 0023 ASP OD1 11.35 H A 0045 ARG NH1
C A 0023 ASP OD1 11.25 H A 0045 ARG NH2
C A 0023 ASP OD2 10.68 H A 0045 ARG NH1
C A 0023 ASP OD2 10.96 H A 0045 ARG NH2
C A 0023 ASP OD1 7.193 H A 0056 ARG NH1
C A 0023 ASP OD1 5.714 H A 0056 ARG NH2
C A 0023 ASP OD2 6.625 H A 0056 ARG NH1
C A 0023 ASP OD2 4.906 H A 0056 ARG NH2
E A 0029 GLU OE1 2.699 H A 0009 LYS NZ
E A 0029 GLU OE2 4.786 H A 0009 LYS NZ
E A 0029 GLU OE1 9.595 E A 0031 ARG NH1
E A 0029 GLU OE1 9.996 E A 0031 ARG NH2
E A 0029 GLU OE2 7.959 E A 0031 ARG NH1
E A 0029 GLU OE2 8.358 E A 0031 ARG NH2
E A 0038 GLU OE1 4.888 E A 0031 ARG NH1
E A 0038 GLU OE1 6.404 E A 0031 ARG NH2
E A 0038 GLU OE2 4.538 E A 0031 ARG NH1
E A 0038 GLU OE2 5.295 E A 0031 ARG NH2
E A 0038 GLU OE1 5.950 C A 0036 ARG NH1
E A 0038 GLU OE1 8.172 C A 0036 ARG NH2
E A 0038 GLU OE2 6.119 C A 0036 ARG NH1
E A 0038 GLU OE2 8.317 C A 0036 ARG NH2
C A 0052 GLU OE1 7.027 C A 0053 LYS NZ
C A 0052 GLU OE2 4.996 C A 0053 LYS NZ
C A 0052 GLU OE1 6.551 H A 0055 ARG NH1
C A 0052 GLU OE1 8.394 H A 0055 ARG NH2
C A 0052 GLU OE2 7.445 H A 0055 ARG NH1
C A 0052 GLU OE2 8.908 H A 0055 ARG NH2
C A 0052 GLU OE1 9.653 H A 0056 ARG NH1
C A 0052 GLU OE1 9.574 H A 0056 ARG NH2
C A 0052 GLU OE2 11.45 H A 0056 ARG NH1
C A 0052 GLU OE2 11.42 H A 0056 ARG NH2
H A 0059 GLU OE1 8.718 H A 0055 ARG NH1
H A 0059 GLU OE1 8.580 H A 0055 ARG NH2
H A 0059 GLU OE2 6.538 H A 0055 ARG NH1
H A 0059 GLU OE2 6.459 H A 0055 ARG NH2
H A 0059 GLU OE1 7.659 H A 0056 ARG NH1
H A 0059 GLU OE1 9.653 H A 0056 ARG NH2
H A 0059 GLU OE2 6.650 H A 0056 ARG NH1
H A 0059 GLU OE2 8.757 H A 0056 ARG NH2
H A 0059 GLU OE1 9.899 H A 0058 ARG NH1
H A 0059 GLU OE1 9.201 H A 0058 ARG NH2
H A 0059 GLU OE2 10.13 H A 0058 ARG NH1
H A 0059 GLU OE2 9.837 H A 0058 ARG NH2
H A 0059 GLU OE1 9.160 H A 0066 LYS NZ
H A 0059 GLU OE2 11.15 H A 0066 LYS NZ
C A 0072 GLU OE1 5.903 H A 0058 ARG NH1
C A 0072 GLU OE1 5.888 H A 0058 ARG NH2
C A 0072 GLU OE2 4.230 H A 0058 ARG NH1
C A 0072 GLU OE2 4.619 H A 0058 ARG NH2
E A 0076 GLU OE2 11.93 E A 0031 ARG NH1
E A 0076 GLU OE1 8.132 C A 0036 ARG NH1
E A 0076 GLU OE1 8.733 C A 0036 ARG NH2
E A 0076 GLU OE2 6.966 C A 0036 ARG NH1
E A 0076 GLU OE2 7.645 C A 0036 ARG NH2
E A 0076 GLU OE1 10.00 H A 0058 ARG NH1
E A 0076 GLU OE1 9.068 H A 0058 ARG NH2
E A 0076 GLU OE2 11.61 H A 0058 ARG NH1
E A 0076 GLU OE2 10.94 H A 0058 ARG NH2
E A 0080 GLU OE1 11.89 E A 0031 ARG NH1
E A 0080 GLU OE2 10.76 E A 0031 ARG NH1
E A 0080 GLU OE1 5.372 E A 0081 LYS NZ
E A 0080 GLU OE2 6.881 E A 0081 LYS NZ
CHARGE_REPU 2.00 12.00 47
H A 0011 GLU OE1 7.063 H A 0014 GLU OE1
H A 0011 GLU OE1 8.375 H A 0014 GLU OE2
H A 0011 GLU OE2 6.721 H A 0014 GLU OE1
H A 0011 GLU OE2 7.669 H A 0014 GLU OE2
H A 0011 GLU OE1 11.35 H A 0019 GLU OE2
H A 0014 GLU OE1 10.64 H A 0019 GLU OE2
H A 0018 ARG NH1 11.54 H A 0067 ARG NH1
H A 0018 ARG NH2 11.41 H A 0067 ARG NH1
H A 0019 GLU OE1 7.814 C A 0023 ASP OD1
H A 0019 GLU OE1 8.737 C A 0023 ASP OD2
H A 0019 GLU OE2 9.426 C A 0023 ASP OD1
H A 0019 GLU OE2 10.57 C A 0023 ASP OD2
H A 0019 GLU OE1 7.508 H A 0059 GLU OE1
H A 0019 GLU OE1 8.909 H A 0059 GLU OE2
H A 0019 GLU OE2 8.805 H A 0059 GLU OE1
H A 0019 GLU OE2 10.47 H A 0059 GLU OE2
C A 0022 GLU OE1 7.387 C A 0023 ASP OD1
C A 0022 GLU OE1 8.495 C A 0023 ASP OD2
C A 0022 GLU OE2 8.025 C A 0023 ASP OD1
C A 0022 GLU OE2 9.400 C A 0023 ASP OD2
C A 0023 ASP OD2 11.85 H A 0059 GLU OE2
E A 0029 GLU OE1 10.79 E A 0038 GLU OE1
E A 0029 GLU OE1 10.41 E A 0038 GLU OE2
E A 0029 GLU OE2 9.976 E A 0038 GLU OE1
E A 0029 GLU OE2 9.622 E A 0038 GLU OE2
E A 0029 GLU OE1 10.68 E A 0080 GLU OE2
E A 0029 GLU OE2 11.24 E A 0080 GLU OE1
E A 0029 GLU OE2 9.514 E A 0080 GLU OE2
E A 0031 ARG NH1 9.632 C A 0036 ARG NH1
E A 0031 ARG NH1 11.86 C A 0036 ARG NH2
E A 0031 ARG NH2 10.35 C A 0036 ARG NH1
E A 0038 GLU OE1 8.178 E A 0076 GLU OE1
E A 0038 GLU OE1 7.385 E A 0076 GLU OE2
E A 0038 GLU OE2 9.760 E A 0076 GLU OE1
E A 0038 GLU OE2 9.121 E A 0076 GLU OE2
C A 0053 LYS NZ 11.31 H A 0055 ARG NH1
H A 0055 ARG NH1 7.327 H A 0056 ARG NH1
H A 0055 ARG NH1 8.770 H A 0056 ARG NH2
H A 0055 ARG NH2 9.071 H A 0056 ARG NH1
H A 0055 ARG NH2 10.74 H A 0056 ARG NH2
H A 0055 ARG NH2 11.79 H A 0058 ARG NH1
H A 0058 ARG NH2 11.97 H A 0066 LYS NZ
H A 0066 LYS NZ 10.43 H A 0067 ARG NH1
H A 0066 LYS NZ 9.634 H A 0067 ARG NH2
C A 0072 GLU OE1 11.53 E A 0076 GLU OE1
C A 0072 GLU OE2 10.13 E A 0076 GLU OE1
C A 0072 GLU OE2 11.54 E A 0076 GLU OE2
HB_MM 2.00 3.20 152
C A 0002 SER N 2.240 C A 0001 GLY O
C A 0003 SER N 2.247 C A 0002 SER O
C A 0004 GLY N 2.248 C A 0003 SER O
C A 0005 SER N 2.252 C A 0004 GLY O
C A 0006 SER N 2.267 C A 0005 SER O
H A 0007 GLY N 2.253 C A 0006 SER O
H A 0008 PHE N 2.911 C A 0006 SER O
H A 0008 PHE N 2.260 H A 0007 GLY O
H A 0009 LYS N 3.172 H A 0007 GLY O
H A 0009 LYS N 2.250 H A 0008 PHE O
H A 0010 ALA N 3.028 H A 0007 GLY O
H A 0010 ALA N 3.102 H A 0008 PHE O
H A 0010 ALA N 2.236 H A 0009 LYS O
H A 0011 GLU N 3.105 H A 0008 PHE O
H A 0011 GLU N 2.249 H A 0010 ALA O
H A 0012 LEU N 2.918 H A 0008 PHE O
H A 0012 LEU N 2.249 H A 0011 GLU O
H A 0013 ASN N 2.987 H A 0009 LYS O
H A 0013 ASN N 2.243 H A 0012 LEU O
H A 0014 GLU N 3.009 H A 0010 ALA O
H A 0014 GLU N 2.253 H A 0013 ASN O
H A 0015 PHE N 2.913 H A 0011 GLU O
H A 0015 PHE N 2.260 H A 0014 GLU O
H A 0016 LEU N 2.888 H A 0012 LEU O
H A 0016 LEU N 2.255 H A 0015 PHE O
H A 0017 THR N 2.938 H A 0013 ASN O
H A 0017 THR N 2.248 H A 0016 LEU O
H A 0018 ARG N 3.098 H A 0015 PHE O
H A 0018 ARG N 2.247 H A 0017 THR O
H A 0019 GLU N 3.103 H A 0016 LEU O
H A 0019 GLU N 2.253 H A 0018 ARG O
H A 0020 LEU N 2.925 H A 0016 LEU O
H A 0020 LEU N 3.158 H A 0018 ARG O
H A 0020 LEU N 2.251 H A 0019 GLU O
C A 0021 ALA N 2.269 H A 0020 LEU O
C A 0022 GLU N 2.244 C A 0021 ALA O
C A 0023 ASP N 3.161 H A 0020 LEU O
C A 0023 ASP N 2.251 C A 0022 GLU O
C A 0024 GLY N 3.144 C A 0022 GLU O
C A 0024 GLY N 2.265 C A 0023 ASP O
E A 0025 TYR N 2.241 C A 0024 GLY O
E A 0026 SER N 2.245 E A 0025 TYR O
E A 0026 SER N 3.002 E A 0042 LEU O
E A 0027 GLY N 2.246 E A 0026 SER O
E A 0028 VAL N 2.251 E A 0027 GLY O
E A 0029 GLU N 2.242 E A 0028 VAL O
E A 0029 GLU N 2.774 E A 0040 ILE O
E A 0030 VAL N 2.245 E A 0029 GLU O
E A 0031 ARG N 2.247 E A 0030 VAL O
E A 0031 ARG N 2.996 E A 0038 GLU O
E A 0032 VAL N 2.241 E A 0031 ARG O
C A 0033 THR N 2.246 E A 0032 VAL O
C A 0033 THR N 2.935 C A 0036 ARG O
C A 0034 PRO N 2.229 C A 0033 THR O
C A 0035 THR N 3.167 C A 0033 THR O
C A 0035 THR N 2.247 C A 0034 PRO O
C A 0036 ARG N 2.245 C A 0035 THR O
E A 0037 THR N 2.244 C A 0036 ARG O
E A 0037 THR N 2.906 C A 0074 SER O
E A 0038 GLU N 2.921 E A 0031 ARG O
E A 0038 GLU N 2.246 E A 0037 THR O
E A 0039 ILE N 2.254 E A 0038 GLU O
E A 0039 ILE N 2.878 E A 0076 GLU O
E A 0040 ILE N 2.861 E A 0029 GLU O
E A 0040 ILE N 2.247 E A 0039 ILE O
E A 0041 ILE N 2.237 E A 0040 ILE O
E A 0042 LEU N 2.795 E A 0027 GLY O
E A 0042 LEU N 2.244 E A 0041 ILE O
E A 0043 ALA N 2.260 E A 0042 LEU O
E A 0043 ALA N 3.189 E A 0080 GLU O
C A 0044 THR N 2.865 C A 0024 GLY O
C A 0044 THR N 2.244 E A 0043 ALA O
H A 0045 ARG N 2.261 C A 0044 THR O
H A 0046 THR N 2.244 H A 0045 ARG O
H A 0047 GLN N 3.105 H A 0045 ARG O
H A 0047 GLN N 2.239 H A 0046 THR O
H A 0048 ASN N 3.045 H A 0045 ARG O
H A 0048 ASN N 2.250 H A 0047 GLN O
H A 0049 VAL N 3.123 H A 0046 THR O
H A 0049 VAL N 2.257 H A 0048 ASN O
H A 0050 LEU N 2.899 H A 0046 THR O
H A 0050 LEU N 2.239 H A 0049 VAL O
H A 0051 GLY N 2.859 H A 0047 GLN O
H A 0051 GLY N 3.064 H A 0048 ASN O
H A 0051 GLY N 2.242 H A 0050 LEU O
C A 0052 GLU N 2.260 H A 0051 GLY O
C A 0053 LYS N 3.049 H A 0051 GLY O
C A 0053 LYS N 2.267 C A 0052 GLU O
H A 0054 GLY N 3.123 H A 0051 GLY O
H A 0054 GLY N 3.073 C A 0052 GLU O
H A 0054 GLY N 2.242 C A 0053 LYS O
H A 0055 ARG N 3.195 H A 0050 LEU O
H A 0055 ARG N 2.971 C A 0052 GLU O
H A 0055 ARG N 2.241 H A 0054 GLY O
H A 0056 ARG N 2.845 H A 0050 LEU O
H A 0056 ARG N 2.257 H A 0055 ARG O
H A 0057 ILE N 2.242 H A 0056 ARG O
H A 0058 ARG N 3.015 H A 0054 GLY O
H A 0058 ARG N 2.241 H A 0057 ILE O
H A 0059 GLU N 3.049 H A 0055 ARG O
H A 0059 GLU N 2.245 H A 0058 ARG O
H A 0060 LEU N 2.769 H A 0056 ARG O
H A 0060 LEU N 2.246 H A 0059 GLU O
H A 0061 THR N 2.816 H A 0057 ILE O
H A 0061 THR N 3.127 H A 0058 ARG O
H A 0061 THR N 2.241 H A 0060 LEU O
H A 0062 ALA N 3.186 H A 0058 ARG O
H A 0062 ALA N 2.996 H A 0059 GLU O
H A 0062 ALA N 2.247 H A 0061 THR O
H A 0063 VAL N 3.001 H A 0059 GLU O
H A 0063 VAL N 2.240 H A 0062 ALA O
H A 0064 VAL N 3.042 H A 0060 LEU O
H A 0064 VAL N 2.240 H A 0063 VAL O
H A 0065 GLN N 2.794 H A 0061 THR O
H A 0065 GLN N 2.246 H A 0064 VAL O
H A 0066 LYS N 2.931 H A 0062 ALA O
H A 0066 LYS N 3.105 H A 0063 VAL O
H A 0066 LYS N 2.237 H A 0065 GLN O
H A 0067 ARG N 2.800 H A 0063 VAL O
H A 0067 ARG N 2.242 H A 0066 LYS O
H A 0068 PHE N 2.837 H A 0064 VAL O
H A 0068 PHE N 2.252 H A 0067 ARG O
H A 0069 GLY N 2.846 H A 0065 GLN O
H A 0069 GLY N 2.239 H A 0068 PHE O
C A 0070 PHE N 3.183 H A 0065 GLN O
C A 0070 PHE N 2.251 H A 0069 GLY O
C A 0071 PRO N 2.267 C A 0070 PHE O
C A 0072 GLU N 2.247 C A 0071 PRO O
C A 0073 GLY N 2.242 C A 0072 GLU O
C A 0074 SER N 3.138 C A 0072 GLU O
C A 0074 SER N 2.251 C A 0073 GLY O
E A 0075 VAL N 2.248 C A 0074 SER O
E A 0076 GLU N 3.004 E A 0037 THR O
E A 0076 GLU N 2.248 E A 0075 VAL O
E A 0077 LEU N 2.257 E A 0076 GLU O
E A 0078 TYR N 2.803 E A 0039 ILE O
E A 0078 TYR N 2.259 E A 0077 LEU O
E A 0079 ALA N 2.246 E A 0078 TYR O
E A 0080 GLU N 2.765 E A 0041 ILE O
E A 0080 GLU N 2.242 E A 0079 ALA O
E A 0081 LYS N 2.252 E A 0080 GLU O
C A 0082 VAL N 2.246 E A 0081 LYS O
C A 0083 ALA N 2.242 C A 0082 VAL O
C A 0084 THR N 2.249 C A 0083 ALA O
C A 0085 ARG N 2.239 C A 0084 THR O
C A 0086 GLY N 2.256 C A 0085 ARG O
C A 0087 SER N 2.266 C A 0086 GLY O
C A 0088 GLY N 2.249 C A 0087 SER O
C A 0089 PRO N 2.260 C A 0088 GLY O
C A 0090 SER N 2.252 C A 0089 PRO O
C A 0091 SER N 2.252 C A 0090 SER O
C A 0092 GLY N 2.247 C A 0091 SER O
HB_MS 2.00 3.20 15
C A 0001 GLY N 2.728 E A 0029 GLU OE2
C A 0003 SER N 3.163 C A 0002 SER OG
C A 0004 GLY N 3.136 C A 0003 SER OG
C A 0005 SER O 2.649 C A 0006 SER OG
H A 0013 ASN O 2.666 H A 0017 THR OG1
E A 0028 VAL O 3.021 H A 0009 LYS NZ
C A 0035 THR N 3.023 C A 0033 THR OG1
C A 0036 ARG N 3.009 C A 0033 THR OG1
C A 0036 ARG O 3.013 C A 0033 THR OG1
C A 0036 ARG N 3.109 C A 0035 THR OG1
H A 0045 ARG N 3.037 C A 0044 THR OG1
H A 0057 ILE O 2.698 H A 0061 THR OG1
E A 0077 LEU N 2.938 E A 0076 GLU OE1
E A 0081 LYS N 2.905 E A 0080 GLU OE1
C A 0085 ARG O 2.834 C A 0084 THR OG1
HB_SS 2.00 3.20 1
E A 0025 TYR OH 2.694 H A 0013 ASN OD1
AROMATIC 0.00 8.00 4
H A 0008 PHE 5.420 C A 0070 PHE
H A 0067 ARG 5.742 H A 0015 PHE
H A 0008 PHE 5.069 H A 0068 PHE
C A 0036 ARG 7.791 E A 0078 TYR