Complet list of 1bwe con file
Complete list of 1bwe.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 347
C A 0001 ALA C 2.441 C A 0002 TYR CA
C A 0001 ALA C 3.376 C A 0002 TYR C
C A 0001 ALA C 3.607 C A 0002 TYR CB
C A 0001 ALA C 3.767 C A 0002 TYR CD1
C A 0001 ALA C 3.582 C A 0056 HIS CD2
C A 0002 TYR C 2.461 C A 0003 VAL CA
C A 0002 TYR C 3.627 C A 0003 VAL C
C A 0002 TYR C 3.339 C A 0003 VAL CB
C A 0002 TYR C 3.207 C A 0003 VAL CG2
C A 0002 TYR CE1 3.590 C A 0041 ASP CG
C A 0002 TYR CZ 3.590 C A 0041 ASP CG
C A 0002 TYR CB 3.464 C A 0054 ILE CG2
C A 0002 TYR CD1 3.681 C A 0056 HIS CD2
C A 0003 VAL C 2.488 C A 0004 ILE CA
C A 0003 VAL C 3.090 C A 0004 ILE C
C A 0003 VAL C 3.727 C A 0004 ILE CB
C A 0003 VAL CG2 3.587 C A 0036 PRO CB
C A 0003 VAL CG1 3.610 H A 0071 ASN CB
C A 0003 VAL CG1 3.366 H A 0071 ASN CG
C A 0004 ILE C 2.463 C A 0005 THR CA
C A 0004 ILE C 3.660 C A 0005 THR C
C A 0004 ILE C 3.260 C A 0005 THR CB
C A 0004 ILE C 3.281 C A 0005 THR CG2
C A 0005 THR C 2.520 H A 0006 GLU CA
C A 0005 THR C 3.002 H A 0006 GLU C
C A 0005 THR C 3.629 H A 0006 GLU CB
C A 0005 THR C 3.231 H A 0007 PRO CD
C A 0005 THR CG2 3.402 C A 0060 VAL CG1
C A 0005 THR CG2 3.476 C A 0060 VAL CG2
H A 0006 GLU CA 3.093 H A 0007 PRO CD
H A 0006 GLU C 2.451 H A 0007 PRO CA
H A 0006 GLU C 3.079 H A 0007 PRO C
H A 0006 GLU C 3.683 H A 0007 PRO CB
H A 0006 GLU C 3.632 H A 0007 PRO CG
H A 0006 GLU C 2.540 H A 0007 PRO CD
H A 0006 GLU CB 3.382 H A 0007 PRO CD
H A 0006 GLU CA 3.548 C A 0009 ILE CD1
H A 0006 GLU C 3.686 C A 0009 ILE CD1
H A 0006 GLU CB 3.366 H A 0064 TRP CE2
H A 0006 GLU CB 3.272 H A 0064 TRP CZ2
H A 0006 GLU CG 3.778 H A 0064 TRP CZ2
H A 0007 PRO C 2.467 H A 0008 CYS CA
H A 0007 PRO C 3.085 H A 0008 CYS C
H A 0007 PRO C 3.702 H A 0008 CYS CB
H A 0008 CYS C 2.439 C A 0009 ILE CA
H A 0008 CYS C 3.064 C A 0009 ILE C
H A 0008 CYS C 3.729 C A 0009 ILE CB
C A 0009 ILE C 2.484 C A 0010 GLY CA
C A 0009 ILE C 3.592 C A 0010 GLY C
C A 0010 GLY C 2.498 C A 0011 THR CA
C A 0010 GLY C 3.020 C A 0011 THR C
C A 0010 GLY C 3.331 C A 0011 THR CB
C A 0010 GLY C 3.262 C A 0011 THR CG2
C A 0011 THR C 2.476 C A 0012 LYS CA
C A 0011 THR C 3.166 C A 0012 LYS C
C A 0011 THR C 3.085 C A 0012 LYS CB
C A 0011 THR C 3.526 C A 0012 LYS CG
C A 0012 LYS C 2.452 C A 0013 CYS CA
C A 0012 LYS C 3.001 C A 0013 CYS C
C A 0012 LYS C 3.688 C A 0013 CYS CB
C A 0013 CYS C 2.457 C A 0014 ALA CA
C A 0013 CYS C 3.693 C A 0014 ALA C
C A 0013 CYS C 3.234 C A 0014 ALA CB
C A 0014 ALA C 2.442 C A 0015 SER CA
C A 0014 ALA C 3.237 C A 0015 SER C
C A 0014 ALA C 3.679 C A 0015 SER CB
C A 0015 SER C 2.485 C A 0016 CYS CA
C A 0015 SER C 3.200 C A 0016 CYS C
C A 0015 SER C 3.704 C A 0016 CYS CB
C A 0015 SER C 3.643 H A 0048 VAL CG1
C A 0016 CYS C 2.489 C A 0017 VAL CA
C A 0016 CYS C 3.164 C A 0017 VAL C
C A 0016 CYS C 3.729 C A 0017 VAL CB
C A 0017 VAL C 2.501 C A 0018 GLU CA
C A 0017 VAL C 3.252 C A 0018 GLU C
C A 0017 VAL C 3.007 C A 0018 GLU CB
C A 0017 VAL CA 3.585 E A 0025 ILE CG1
C A 0017 VAL CA 3.787 E A 0025 ILE CD1
C A 0017 VAL CG2 3.634 E A 0032 TYR CE2
C A 0018 GLU C 2.451 C A 0019 VAL CA
C A 0018 GLU C 3.115 C A 0019 VAL C
C A 0018 GLU C 3.707 C A 0019 VAL CB
C A 0019 VAL C 2.448 C A 0020 CYS CA
C A 0019 VAL C 3.055 C A 0020 CYS C
C A 0019 VAL C 3.679 C A 0020 CYS CB
C A 0020 CYS CA 2.866 C A 0021 PRO CD
C A 0020 CYS C 2.502 C A 0021 PRO CA
C A 0020 CYS C 3.043 C A 0021 PRO C
C A 0020 CYS C 3.663 C A 0021 PRO CB
C A 0020 CYS C 3.683 C A 0021 PRO CG
C A 0020 CYS C 2.459 C A 0021 PRO CD
C A 0020 CYS CB 3.472 E A 0025 ILE CD1
C A 0021 PRO C 2.465 C A 0022 VAL CA
C A 0021 PRO C 3.582 C A 0022 VAL C
C A 0021 PRO C 3.418 C A 0022 VAL CB
C A 0021 PRO C 3.455 C A 0022 VAL CG1
C A 0022 VAL C 2.511 C A 0023 ASP CA
C A 0022 VAL C 2.990 C A 0023 ASP C
C A 0022 VAL C 3.378 C A 0023 ASP CB
C A 0023 ASP C 2.476 C A 0024 CYS CA
C A 0023 ASP C 3.337 C A 0024 CYS C
C A 0023 ASP C 3.644 C A 0024 CYS CB
C A 0023 ASP CA 3.779 E A 0025 ILE CD1
C A 0023 ASP C 3.777 E A 0025 ILE CD1
C A 0024 CYS C 2.482 E A 0025 ILE CA
C A 0024 CYS C 3.435 E A 0025 ILE C
C A 0024 CYS C 3.563 E A 0025 ILE CB
C A 0024 CYS C 3.690 E A 0026 HIS CD2
C A 0024 CYS CB 3.662 C A 0038 VAL CB
C A 0024 CYS CB 3.569 C A 0038 VAL CG1
E A 0025 ILE C 2.457 E A 0026 HIS CA
E A 0025 ILE C 3.630 E A 0026 HIS C
E A 0025 ILE C 3.343 E A 0026 HIS CB
E A 0025 ILE C 3.314 E A 0026 HIS CG
E A 0025 ILE C 3.578 E A 0026 HIS CD2
E A 0025 ILE CG2 3.357 E A 0034 ILE CG1
E A 0026 HIS CA 3.793 E A 0027 GLU CA
E A 0026 HIS C 2.407 E A 0027 GLU CA
E A 0026 HIS C 3.179 E A 0027 GLU C
E A 0026 HIS C 3.670 E A 0027 GLU CB
E A 0026 HIS CB 3.314 H A 0075 PHE CE1
E A 0026 HIS CB 3.473 H A 0075 PHE CZ
E A 0026 HIS CG 3.262 H A 0075 PHE CE1
E A 0026 HIS CG 3.554 H A 0075 PHE CZ
E A 0026 HIS CD2 3.348 H A 0075 PHE CE1
E A 0026 HIS CD2 3.758 H A 0075 PHE CE2
E A 0026 HIS CD2 3.294 H A 0075 PHE CZ
E A 0027 GLU CA 3.780 C A 0028 GLY CA
E A 0027 GLU C 2.448 C A 0028 GLY CA
E A 0027 GLU C 3.105 C A 0028 GLY C
E A 0027 GLU CG 3.779 E A 0032 TYR CD1
E A 0027 GLU CG 3.347 E A 0032 TYR CE1
E A 0027 GLU CG 3.516 E A 0032 TYR CZ
E A 0027 GLU CD 3.584 E A 0032 TYR CE1
E A 0027 GLU CD 3.743 E A 0032 TYR CZ
C A 0028 GLY C 2.502 C A 0029 GLU CA
C A 0028 GLY C 3.702 C A 0029 GLU C
C A 0028 GLY C 3.161 C A 0029 GLU CB
C A 0028 GLY CA 3.744 E A 0033 TYR CE2
C A 0029 GLU C 2.487 C A 0030 ASP CA
C A 0029 GLU C 3.195 C A 0030 ASP C
C A 0029 GLU C 3.710 C A 0030 ASP CB
C A 0030 ASP C 2.454 C A 0031 GLN CA
C A 0030 ASP C 3.681 C A 0031 GLN C
C A 0030 ASP C 3.158 C A 0031 GLN CB
C A 0030 ASP CG 3.684 C A 0031 GLN CG
C A 0031 GLN C 2.468 E A 0032 TYR CA
C A 0031 GLN C 3.319 E A 0032 TYR C
C A 0031 GLN C 3.630 E A 0032 TYR CB
C A 0031 GLN CG 3.653 E A 0033 TYR CD2
C A 0031 GLN CG 3.308 E A 0033 TYR CE2
C A 0031 GLN CG 3.389 E A 0033 TYR CZ
C A 0031 GLN CD 3.425 E A 0033 TYR CE1
C A 0031 GLN CD 3.438 E A 0033 TYR CZ
E A 0032 TYR C 2.534 E A 0033 TYR CA
E A 0032 TYR C 3.367 E A 0033 TYR C
E A 0032 TYR C 3.666 E A 0033 TYR CB
E A 0033 TYR C 2.437 E A 0034 ILE CA
E A 0033 TYR C 3.167 E A 0034 ILE C
E A 0033 TYR C 3.692 E A 0034 ILE CB
E A 0033 TYR CG 3.707 H A 0074 PHE CE2
E A 0033 TYR CD1 3.637 H A 0074 PHE CE2
E A 0033 TYR CD2 3.763 H A 0074 PHE CE2
E A 0033 TYR CE1 3.612 H A 0074 PHE CE2
E A 0033 TYR CE2 3.715 H A 0074 PHE CE2
E A 0033 TYR CE2 3.771 H A 0074 PHE CZ
E A 0033 TYR CZ 3.653 H A 0074 PHE CE2
E A 0034 ILE C 2.415 C A 0035 ASP CA
E A 0034 ILE C 3.066 C A 0035 ASP C
E A 0034 ILE C 3.736 C A 0035 ASP CB
E A 0034 ILE CG2 3.760 C A 0035 ASP C
E A 0034 ILE CD1 3.288 C A 0054 ILE CG2
E A 0034 ILE CD1 3.749 C A 0054 ILE CD1
C A 0035 ASP CA 3.036 C A 0036 PRO CD
C A 0035 ASP C 2.436 C A 0036 PRO CA
C A 0035 ASP C 3.001 C A 0036 PRO C
C A 0035 ASP C 3.668 C A 0036 PRO CB
C A 0035 ASP C 3.662 C A 0036 PRO CG
C A 0035 ASP C 2.514 C A 0036 PRO CD
C A 0035 ASP CG 3.733 C A 0038 VAL CG2
C A 0035 ASP CB 3.570 H A 0075 PHE CD2
C A 0035 ASP CG 3.449 H A 0075 PHE CD2
C A 0036 PRO C 2.438 C A 0037 ASP CA
C A 0036 PRO C 3.153 C A 0037 ASP C
C A 0036 PRO C 3.669 C A 0037 ASP CB
C A 0036 PRO CG 3.602 H A 0072 ARG CZ
C A 0037 ASP C 2.458 C A 0038 VAL CA
C A 0037 ASP C 3.306 C A 0038 VAL C
C A 0037 ASP C 3.656 C A 0038 VAL CB
C A 0038 VAL C 2.455 C A 0039 CYS CA
C A 0038 VAL C 3.017 C A 0039 CYS C
C A 0038 VAL C 3.713 C A 0039 CYS CB
C A 0039 CYS C 2.469 C A 0040 ILE CA
C A 0039 CYS C 3.330 C A 0040 ILE C
C A 0039 CYS C 3.657 C A 0040 ILE CB
C A 0040 ILE C 2.509 C A 0041 ASP CA
C A 0040 ILE C 3.082 C A 0041 ASP C
C A 0040 ILE C 3.223 C A 0041 ASP CB
C A 0041 ASP C 2.456 C A 0042 CYS CA
C A 0041 ASP C 3.672 C A 0042 CYS C
C A 0041 ASP C 3.241 C A 0042 CYS CB
C A 0042 CYS C 2.442 C A 0043 GLY CA
C A 0042 CYS C 3.274 C A 0043 GLY C
C A 0043 GLY C 2.463 C A 0044 ALA CA
C A 0043 GLY C 3.474 C A 0044 ALA C
C A 0043 GLY C 3.533 C A 0044 ALA CB
C A 0044 ALA C 2.474 H A 0045 CYS CA
C A 0044 ALA C 3.000 H A 0045 CYS C
C A 0044 ALA C 3.712 H A 0045 CYS CB
H A 0045 CYS C 2.460 H A 0046 GLU CA
H A 0045 CYS C 3.023 H A 0046 GLU C
H A 0045 CYS C 3.744 H A 0046 GLU CB
H A 0045 CYS C 3.668 C A 0054 ILE CD1
H A 0046 GLU C 2.443 H A 0047 ALA CA
H A 0046 GLU C 3.028 H A 0047 ALA C
H A 0046 GLU C 3.724 H A 0047 ALA CB
H A 0046 GLU CD 3.553 C A 0052 SER CA
H A 0046 GLU CD 3.725 C A 0052 SER C
H A 0047 ALA C 2.452 H A 0048 VAL CA
H A 0047 ALA C 3.159 H A 0048 VAL C
H A 0047 ALA C 3.683 H A 0048 VAL CB
H A 0048 VAL C 2.451 C A 0049 CYS CA
H A 0048 VAL C 3.025 C A 0049 CYS C
H A 0048 VAL C 3.704 C A 0049 CYS CB
C A 0049 CYS CA 2.973 C A 0050 PRO CD
C A 0049 CYS C 2.469 C A 0050 PRO CA
C A 0049 CYS C 3.202 C A 0050 PRO C
C A 0049 CYS C 3.650 C A 0050 PRO CB
C A 0049 CYS C 3.686 C A 0050 PRO CG
C A 0049 CYS C 2.495 C A 0050 PRO CD
C A 0050 PRO C 2.482 C A 0051 VAL CA
C A 0050 PRO C 3.517 C A 0051 VAL C
C A 0050 PRO C 3.495 C A 0051 VAL CB
C A 0050 PRO C 3.418 C A 0051 VAL CG1
C A 0051 VAL C 2.485 C A 0052 SER CA
C A 0051 VAL C 3.064 C A 0052 SER C
C A 0051 VAL C 3.099 C A 0052 SER CB
C A 0051 VAL CG2 3.299 C A 0053 ALA CB
C A 0052 SER C 2.476 C A 0053 ALA CA
C A 0052 SER C 3.697 C A 0053 ALA C
C A 0052 SER C 3.321 C A 0053 ALA CB
C A 0052 SER C 3.789 C A 0055 TYR CE1
C A 0053 ALA C 2.434 C A 0054 ILE CA
C A 0053 ALA C 3.105 C A 0054 ILE C
C A 0053 ALA C 3.672 C A 0054 ILE CB
C A 0053 ALA CA 3.656 C A 0055 TYR CE1
C A 0053 ALA CA 3.742 C A 0055 TYR CZ
C A 0054 ILE C 2.466 C A 0055 TYR CA
C A 0054 ILE C 3.406 C A 0055 TYR C
C A 0054 ILE C 3.577 C A 0055 TYR CB
C A 0054 ILE C 3.651 C A 0055 TYR CD1
C A 0055 TYR CA 3.793 C A 0056 HIS CA
C A 0055 TYR C 2.415 C A 0056 HIS CA
C A 0055 TYR C 2.968 C A 0056 HIS C
C A 0055 TYR C 3.714 C A 0056 HIS CB
C A 0055 TYR CB 3.766 C A 0060 VAL CG2
C A 0056 HIS CA 3.779 C A 0057 GLU CA
C A 0056 HIS C 2.408 C A 0057 GLU CA
C A 0056 HIS C 2.940 C A 0057 GLU C
C A 0056 HIS C 3.698 C A 0057 GLU CB
C A 0057 GLU CA 3.774 C A 0058 ASP CA
C A 0057 GLU C 2.409 C A 0058 ASP CA
C A 0057 GLU C 3.062 C A 0058 ASP C
C A 0057 GLU C 3.664 C A 0058 ASP CB
C A 0057 GLU CA 3.673 H A 0068 ILE CG1
C A 0057 GLU CB 3.628 H A 0068 ILE CG1
C A 0057 GLU CB 3.764 H A 0068 ILE CG2
C A 0058 ASP C 2.453 C A 0059 PHE CA
C A 0058 ASP C 3.091 C A 0059 PHE C
C A 0058 ASP C 3.725 C A 0059 PHE CB
C A 0058 ASP CG 3.619 C A 0059 PHE CD1
C A 0059 PHE C 2.442 C A 0060 VAL CA
C A 0059 PHE C 2.941 C A 0060 VAL C
C A 0059 PHE C 3.714 C A 0060 VAL CB
C A 0060 VAL CA 2.988 C A 0061 PRO CD
C A 0060 VAL C 2.468 C A 0061 PRO CA
C A 0060 VAL C 3.013 C A 0061 PRO C
C A 0060 VAL C 3.684 C A 0061 PRO CB
C A 0060 VAL C 3.679 C A 0061 PRO CG
C A 0060 VAL C 2.503 C A 0061 PRO CD
C A 0060 VAL CG1 3.447 H A 0064 TRP C
C A 0060 VAL CG1 3.481 H A 0064 TRP CB
C A 0060 VAL CB 3.736 H A 0068 ILE CD1
C A 0060 VAL CG1 3.527 H A 0068 ILE CD1
C A 0061 PRO C 2.499 H A 0062 GLU CA
C A 0061 PRO C 3.016 H A 0062 GLU C
C A 0061 PRO C 3.633 H A 0062 GLU CB
H A 0062 GLU C 2.465 H A 0063 GLU CA
H A 0062 GLU C 2.954 H A 0063 GLU C
H A 0062 GLU C 3.722 H A 0063 GLU CB
H A 0062 GLU CA 3.796 H A 0065 LYS CB
H A 0062 GLU CA 3.762 H A 0065 LYS CG
H A 0063 GLU C 2.468 H A 0064 TRP CA
H A 0063 GLU C 3.375 H A 0064 TRP C
H A 0063 GLU C 3.598 H A 0064 TRP CB
H A 0064 TRP C 2.447 H A 0065 LYS CA
H A 0064 TRP C 2.991 H A 0065 LYS C
H A 0064 TRP C 3.702 H A 0065 LYS CB
H A 0065 LYS C 2.455 H A 0066 SER CA
H A 0065 LYS C 2.945 H A 0066 SER C
H A 0065 LYS C 3.703 H A 0066 SER CB
H A 0066 SER C 2.441 H A 0067 TYR CA
H A 0066 SER C 3.048 H A 0067 TYR C
H A 0066 SER C 3.750 H A 0067 TYR CB
H A 0067 TYR C 2.431 H A 0068 ILE CA
H A 0067 TYR C 2.951 H A 0068 ILE C
H A 0067 TYR C 3.697 H A 0068 ILE CB
H A 0067 TYR C 3.788 H A 0068 ILE CD1
H A 0068 ILE CA 3.790 H A 0069 GLN CA
H A 0068 ILE C 2.421 H A 0069 GLN CA
H A 0068 ILE C 2.941 H A 0069 GLN C
H A 0068 ILE C 3.718 H A 0069 GLN CB
H A 0069 GLN C 2.437 H A 0070 LYS CA
H A 0069 GLN C 3.022 H A 0070 LYS C
H A 0069 GLN C 3.713 H A 0070 LYS CB
H A 0070 LYS C 2.458 H A 0071 ASN CA
H A 0070 LYS C 3.057 H A 0071 ASN C
H A 0070 LYS C 3.716 H A 0071 ASN CB
H A 0070 LYS CG 3.793 H A 0074 PHE CD2
H A 0070 LYS CG 3.673 H A 0074 PHE CE2
H A 0071 ASN C 2.458 H A 0072 ARG CA
H A 0071 ASN C 2.945 H A 0072 ARG C
H A 0071 ASN C 3.698 H A 0072 ARG CB
H A 0072 ARG CA 3.789 H A 0073 ASP CA
H A 0072 ARG C 2.498 H A 0073 ASP CA
H A 0072 ARG C 3.068 H A 0073 ASP C
H A 0072 ARG C 3.669 H A 0073 ASP CB
H A 0073 ASP C 2.484 H A 0074 PHE CA
H A 0073 ASP C 2.966 H A 0074 PHE C
H A 0073 ASP C 3.711 H A 0074 PHE CB
H A 0074 PHE CA 3.798 H A 0075 PHE CA
H A 0074 PHE C 2.449 H A 0075 PHE CA
H A 0074 PHE C 3.452 H A 0075 PHE C
H A 0074 PHE C 3.517 H A 0075 PHE CB
H A 0074 PHE C 3.545 H A 0075 PHE CG
H A 0074 PHE C 3.714 H A 0075 PHE CD1
H A 0074 PHE CB 3.678 H A 0075 PHE CD2
H A 0074 PHE CB 3.622 H A 0075 PHE CE1
H A 0074 PHE CB 3.492 H A 0075 PHE CE2
H A 0074 PHE CB 3.430 H A 0075 PHE CZ
H A 0075 PHE C 2.432 C A 0076 LYS CA
H A 0075 PHE C 3.181 C A 0076 LYS C
H A 0075 PHE C 3.682 C A 0076 LYS CB
C A 0076 LYS C 2.476 C A 0077 LYS CA
C A 0076 LYS C 3.654 C A 0077 LYS C
C A 0076 LYS C 3.135 C A 0077 LYS CB
C A 0076 LYS C 3.738 C A 0077 LYS CG
CHARGE_ATTR 2.00 12.00 89
C A 0023 ASP OD1 7.826 E A 0026 HIS ND1
C A 0023 ASP OD1 8.009 E A 0026 HIS NE2
C A 0023 ASP OD2 6.580 E A 0026 HIS ND1
C A 0023 ASP OD2 7.117 E A 0026 HIS NE2
E A 0027 GLU OE1 2.607 C A 0012 LYS NZ
E A 0027 GLU OE2 4.624 C A 0012 LYS NZ
E A 0027 GLU OE1 9.913 E A 0026 HIS ND1
E A 0027 GLU OE1 11.78 E A 0026 HIS NE2
E A 0027 GLU OE2 9.128 E A 0026 HIS ND1
E A 0027 GLU OE2 10.99 E A 0026 HIS NE2
C A 0029 GLU OE1 3.713 C A 0012 LYS NZ
C A 0029 GLU OE2 2.626 C A 0012 LYS NZ
C A 0030 ASP OD1 7.461 C A 0012 LYS NZ
C A 0030 ASP OD2 8.585 C A 0012 LYS NZ
C A 0030 ASP OD1 9.301 H A 0070 LYS NZ
C A 0030 ASP OD2 10.39 H A 0070 LYS NZ
C A 0035 ASP OD1 8.526 E A 0026 HIS ND1
C A 0035 ASP OD1 6.587 E A 0026 HIS NE2
C A 0035 ASP OD2 7.171 E A 0026 HIS ND1
C A 0035 ASP OD2 5.395 E A 0026 HIS NE2
C A 0035 ASP OD1 11.77 C A 0056 HIS NE2
C A 0035 ASP OD1 10.07 H A 0070 LYS NZ
C A 0035 ASP OD2 9.838 H A 0070 LYS NZ
C A 0035 ASP OD1 7.358 H A 0072 ARG NH1
C A 0035 ASP OD1 5.823 H A 0072 ARG NH2
C A 0035 ASP OD2 9.211 H A 0072 ARG NH1
C A 0035 ASP OD2 7.804 H A 0072 ARG NH2
C A 0035 ASP OD1 2.742 C A 0076 LYS NZ
C A 0035 ASP OD2 2.694 C A 0076 LYS NZ
C A 0035 ASP OD1 11.06 C A 0077 LYS NZ
C A 0035 ASP OD2 10.27 C A 0077 LYS NZ
C A 0037 ASP OD1 11.19 E A 0026 HIS NE2
C A 0037 ASP OD2 11.58 E A 0026 HIS ND1
C A 0037 ASP OD2 9.768 E A 0026 HIS NE2
C A 0037 ASP OD1 10.55 C A 0056 HIS ND1
C A 0037 ASP OD1 9.817 C A 0056 HIS NE2
C A 0037 ASP OD2 11.39 C A 0056 HIS NE2
C A 0037 ASP OD2 10.31 H A 0070 LYS NZ
C A 0037 ASP OD1 4.445 H A 0072 ARG NH1
C A 0037 ASP OD1 2.612 H A 0072 ARG NH2
C A 0037 ASP OD2 5.047 H A 0072 ARG NH1
C A 0037 ASP OD2 3.796 H A 0072 ARG NH2
C A 0037 ASP OD1 4.719 C A 0076 LYS NZ
C A 0037 ASP OD2 2.650 C A 0076 LYS NZ
C A 0037 ASP OD2 10.31 C A 0077 LYS NZ
C A 0041 ASP OD1 7.254 C A 0056 HIS ND1
C A 0041 ASP OD1 5.461 C A 0056 HIS NE2
C A 0041 ASP OD2 5.480 C A 0056 HIS ND1
C A 0041 ASP OD2 3.542 C A 0056 HIS NE2
C A 0041 ASP OD2 11.24 H A 0072 ARG NH1
C A 0041 ASP OD2 9.855 H A 0072 ARG NH2
C A 0057 GLU OE1 6.162 C A 0056 HIS ND1
C A 0057 GLU OE1 6.668 C A 0056 HIS NE2
C A 0057 GLU OE2 5.810 C A 0056 HIS ND1
C A 0057 GLU OE2 5.568 C A 0056 HIS NE2
C A 0057 GLU OE1 8.470 H A 0065 LYS NZ
C A 0057 GLU OE2 10.22 H A 0065 LYS NZ
C A 0057 GLU OE1 2.635 H A 0072 ARG NH1
C A 0057 GLU OE1 3.364 H A 0072 ARG NH2
C A 0057 GLU OE2 3.585 H A 0072 ARG NH1
C A 0057 GLU OE2 2.668 H A 0072 ARG NH2
C A 0057 GLU OE1 9.338 C A 0076 LYS NZ
C A 0057 GLU OE2 8.609 C A 0076 LYS NZ
C A 0058 ASP OD1 2.602 C A 0056 HIS ND1
C A 0058 ASP OD1 4.757 C A 0056 HIS NE2
C A 0058 ASP OD2 4.711 C A 0056 HIS ND1
C A 0058 ASP OD2 6.747 C A 0056 HIS NE2
C A 0058 ASP OD1 6.740 H A 0065 LYS NZ
C A 0058 ASP OD2 6.371 H A 0065 LYS NZ
C A 0058 ASP OD1 9.742 H A 0072 ARG NH1
C A 0058 ASP OD1 10.02 H A 0072 ARG NH2
C A 0058 ASP OD2 11.19 H A 0072 ARG NH1
C A 0058 ASP OD2 11.72 H A 0072 ARG NH2
H A 0062 GLU OE2 10.98 C A 0056 HIS ND1
H A 0062 GLU OE1 3.625 H A 0065 LYS NZ
H A 0062 GLU OE2 2.620 H A 0065 LYS NZ
H A 0062 GLU OE2 11.85 H A 0072 ARG NH1
H A 0063 GLU OE1 7.383 H A 0065 LYS NZ
H A 0063 GLU OE2 9.437 H A 0065 LYS NZ
H A 0073 ASP OD1 4.692 H A 0070 LYS NZ
H A 0073 ASP OD2 2.600 H A 0070 LYS NZ
H A 0073 ASP OD1 10.99 H A 0072 ARG NH1
H A 0073 ASP OD1 11.87 H A 0072 ARG NH2
H A 0073 ASP OD2 11.27 H A 0072 ARG NH1
H A 0073 ASP OD2 11.98 H A 0072 ARG NH2
H A 0073 ASP OD1 8.685 C A 0076 LYS NZ
H A 0073 ASP OD2 8.485 C A 0076 LYS NZ
H A 0073 ASP OD1 2.575 C A 0077 LYS NZ
H A 0073 ASP OD2 3.436 C A 0077 LYS NZ
CHARGE_REPU 2.00 12.00 95
H A 0006 GLU OE1 10.17 C A 0030 ASP OD1
H A 0006 GLU OE1 8.415 C A 0030 ASP OD2
H A 0006 GLU OE2 10.56 C A 0030 ASP OD2
H A 0006 GLU OE1 10.80 H A 0063 GLU OE1
H A 0006 GLU OE1 10.66 H A 0063 GLU OE2
H A 0006 GLU OE2 9.367 H A 0063 GLU OE1
H A 0006 GLU OE2 8.882 H A 0063 GLU OE2
C A 0018 GLU OE1 7.071 C A 0023 ASP OD1
C A 0018 GLU OE1 7.938 C A 0023 ASP OD2
C A 0018 GLU OE2 7.645 C A 0023 ASP OD1
C A 0018 GLU OE2 8.910 C A 0023 ASP OD2
C A 0018 GLU OE1 11.95 E A 0027 GLU OE2
C A 0023 ASP OD1 11.97 E A 0027 GLU OE1
C A 0023 ASP OD1 10.03 E A 0027 GLU OE2
C A 0023 ASP OD2 11.35 E A 0027 GLU OE1
C A 0023 ASP OD2 9.446 E A 0027 GLU OE2
E A 0026 HIS ND1 11.41 H A 0070 LYS NZ
E A 0026 HIS NE2 11.35 H A 0070 LYS NZ
E A 0026 HIS ND1 9.540 C A 0076 LYS NZ
E A 0026 HIS NE2 7.938 C A 0076 LYS NZ
E A 0027 GLU OE1 6.070 C A 0029 GLU OE1
E A 0027 GLU OE1 4.612 C A 0029 GLU OE2
E A 0027 GLU OE2 8.233 C A 0029 GLU OE1
E A 0027 GLU OE2 6.784 C A 0029 GLU OE2
E A 0027 GLU OE1 8.290 C A 0030 ASP OD1
E A 0027 GLU OE1 9.512 C A 0030 ASP OD2
E A 0027 GLU OE2 9.901 C A 0030 ASP OD1
E A 0027 GLU OE2 10.94 C A 0030 ASP OD2
C A 0029 GLU OE1 6.307 C A 0030 ASP OD1
C A 0029 GLU OE1 7.500 C A 0030 ASP OD2
C A 0029 GLU OE2 7.386 C A 0030 ASP OD1
C A 0029 GLU OE2 8.859 C A 0030 ASP OD2
C A 0030 ASP OD1 11.81 H A 0073 ASP OD2
C A 0035 ASP OD1 4.653 C A 0037 ASP OD1
C A 0035 ASP OD1 3.309 C A 0037 ASP OD2
C A 0035 ASP OD2 6.271 C A 0037 ASP OD1
C A 0035 ASP OD2 4.635 C A 0037 ASP OD2
C A 0035 ASP OD1 11.86 C A 0041 ASP OD2
C A 0035 ASP OD1 8.643 C A 0057 GLU OE1
C A 0035 ASP OD1 7.457 C A 0057 GLU OE2
C A 0035 ASP OD2 10.72 C A 0057 GLU OE1
C A 0035 ASP OD2 9.603 C A 0057 GLU OE2
C A 0035 ASP OD1 10.76 H A 0073 ASP OD1
C A 0035 ASP OD1 10.17 H A 0073 ASP OD2
C A 0035 ASP OD2 10.46 H A 0073 ASP OD1
C A 0035 ASP OD2 9.788 H A 0073 ASP OD2
C A 0037 ASP OD1 10.98 C A 0041 ASP OD2
C A 0037 ASP OD1 5.951 C A 0057 GLU OE1
C A 0037 ASP OD1 4.924 C A 0057 GLU OE2
C A 0037 ASP OD2 6.984 C A 0057 GLU OE1
C A 0037 ASP OD2 6.251 C A 0057 GLU OE2
C A 0037 ASP OD1 11.58 H A 0073 ASP OD1
C A 0037 ASP OD1 11.80 H A 0073 ASP OD2
C A 0037 ASP OD2 9.721 H A 0073 ASP OD1
C A 0037 ASP OD2 9.796 H A 0073 ASP OD2
C A 0041 ASP OD1 11.34 H A 0046 GLU OE1
C A 0041 ASP OD1 11.31 H A 0046 GLU OE2
C A 0041 ASP OD2 11.22 H A 0046 GLU OE1
C A 0041 ASP OD2 11.34 H A 0046 GLU OE2
C A 0041 ASP OD1 11.52 C A 0057 GLU OE1
C A 0041 ASP OD1 9.870 C A 0057 GLU OE2
C A 0041 ASP OD2 9.296 C A 0057 GLU OE1
C A 0041 ASP OD2 7.660 C A 0057 GLU OE2
C A 0041 ASP OD1 9.395 C A 0058 ASP OD1
C A 0041 ASP OD1 11.16 C A 0058 ASP OD2
C A 0041 ASP OD2 7.864 C A 0058 ASP OD1
C A 0041 ASP OD2 9.820 C A 0058 ASP OD2
C A 0056 HIS ND1 8.627 H A 0065 LYS NZ
C A 0056 HIS NE2 10.73 H A 0065 LYS NZ
C A 0056 HIS ND1 8.732 H A 0072 ARG NH1
C A 0056 HIS ND1 8.452 H A 0072 ARG NH2
C A 0056 HIS NE2 8.972 H A 0072 ARG NH1
C A 0056 HIS NE2 8.116 H A 0072 ARG NH2
C A 0057 GLU OE1 7.133 C A 0058 ASP OD1
C A 0057 GLU OE1 8.688 C A 0058 ASP OD2
C A 0057 GLU OE2 7.517 C A 0058 ASP OD1
C A 0057 GLU OE2 9.367 C A 0058 ASP OD2
C A 0057 GLU OE1 11.98 H A 0062 GLU OE1
C A 0057 GLU OE1 10.44 H A 0062 GLU OE2
C A 0058 ASP OD1 9.881 H A 0062 GLU OE1
C A 0058 ASP OD1 8.937 H A 0062 GLU OE2
C A 0058 ASP OD2 9.030 H A 0062 GLU OE1
C A 0058 ASP OD2 8.106 H A 0062 GLU OE2
H A 0062 GLU OE1 4.731 H A 0063 GLU OE1
H A 0062 GLU OE1 6.660 H A 0063 GLU OE2
H A 0062 GLU OE2 6.542 H A 0063 GLU OE1
H A 0062 GLU OE2 8.629 H A 0063 GLU OE2
H A 0065 LYS NZ 10.20 H A 0072 ARG NH1
H A 0065 LYS NZ 11.77 H A 0072 ARG NH2
H A 0070 LYS NZ 11.48 H A 0072 ARG NH1
H A 0070 LYS NZ 9.033 C A 0076 LYS NZ
H A 0070 LYS NZ 5.908 C A 0077 LYS NZ
H A 0072 ARG NH1 7.368 C A 0076 LYS NZ
H A 0072 ARG NH2 6.323 C A 0076 LYS NZ
C A 0076 LYS NZ 8.764 C A 0077 LYS NZ
HB_MM 2.00 3.20 124
C A 0002 TYR N 2.255 C A 0001 ALA O
C A 0003 VAL N 2.258 C A 0002 TYR O
C A 0003 VAL N 2.767 C A 0055 TYR O
C A 0004 ILE N 2.265 C A 0003 VAL O
C A 0005 THR N 2.247 C A 0004 ILE O
H A 0006 GLU N 2.269 C A 0005 THR O
H A 0007 PRO N 2.865 C A 0005 THR O
H A 0007 PRO N 2.239 H A 0006 GLU O
H A 0008 CYS N 2.835 C A 0005 THR O
H A 0008 CYS N 3.013 H A 0006 GLU O
H A 0008 CYS N 2.247 H A 0007 PRO O
C A 0009 ILE N 2.902 H A 0006 GLU O
C A 0009 ILE N 2.248 H A 0008 CYS O
C A 0010 GLY N 2.706 H A 0008 CYS O
C A 0010 GLY N 2.254 C A 0009 ILE O
C A 0011 THR N 2.260 C A 0010 GLY O
C A 0012 LYS N 2.253 C A 0011 THR O
C A 0012 LYS N 2.822 C A 0030 ASP O
C A 0013 CYS N 2.249 C A 0012 LYS O
C A 0014 ALA N 2.244 C A 0013 CYS O
C A 0015 SER N 2.238 C A 0014 ALA O
C A 0016 CYS N 2.246 C A 0015 SER O
C A 0017 VAL N 2.241 C A 0016 CYS O
C A 0018 GLU N 2.253 C A 0017 VAL O
C A 0019 VAL N 2.772 C A 0017 VAL O
C A 0019 VAL N 2.238 C A 0018 GLU O
C A 0020 CYS N 2.248 C A 0019 VAL O
C A 0021 PRO N 2.256 C A 0020 CYS O
C A 0022 VAL N 2.912 C A 0020 CYS O
C A 0022 VAL N 2.254 C A 0021 PRO O
C A 0023 ASP N 2.937 C A 0020 CYS O
C A 0023 ASP N 2.262 C A 0022 VAL O
C A 0024 CYS N 2.990 C A 0022 VAL O
C A 0024 CYS N 2.237 C A 0023 ASP O
E A 0025 ILE N 2.262 C A 0024 CYS O
E A 0026 HIS N 2.247 E A 0025 ILE O
E A 0026 HIS N 2.777 E A 0033 TYR O
E A 0027 GLU N 2.222 E A 0026 HIS O
C A 0028 GLY N 2.258 E A 0027 GLU O
C A 0029 GLU N 2.270 C A 0028 GLY O
C A 0030 ASP N 2.251 C A 0029 GLU O
C A 0031 GLN N 2.251 C A 0030 ASP O
E A 0032 TYR N 2.268 C A 0031 GLN O
E A 0033 TYR N 2.729 E A 0026 HIS O
E A 0033 TYR N 2.259 E A 0032 TYR O
E A 0034 ILE N 2.243 E A 0033 TYR O
C A 0035 ASP N 2.908 C A 0024 CYS O
C A 0035 ASP N 2.244 E A 0034 ILE O
C A 0036 PRO N 2.242 C A 0035 ASP O
C A 0037 ASP N 3.192 C A 0035 ASP O
C A 0037 ASP N 2.242 C A 0036 PRO O
C A 0038 VAL N 2.256 C A 0037 ASP O
C A 0039 CYS N 2.837 C A 0035 ASP O
C A 0039 CYS N 2.242 C A 0038 VAL O
C A 0040 ILE N 2.245 C A 0039 CYS O
C A 0041 ASP N 2.258 C A 0040 ILE O
C A 0042 CYS N 2.248 C A 0041 ASP O
C A 0043 GLY N 2.232 C A 0042 CYS O
C A 0044 ALA N 2.965 C A 0042 CYS O
C A 0044 ALA N 2.253 C A 0043 GLY O
H A 0045 CYS N 2.250 C A 0044 ALA O
H A 0046 GLU N 3.172 C A 0044 ALA O
H A 0046 GLU N 2.240 H A 0045 CYS O
H A 0047 ALA N 2.855 C A 0044 ALA O
H A 0047 ALA N 2.238 H A 0046 GLU O
H A 0048 VAL N 2.876 C A 0044 ALA O
H A 0048 VAL N 3.043 H A 0045 CYS O
H A 0048 VAL N 2.249 H A 0047 ALA O
C A 0049 CYS N 2.745 H A 0045 CYS O
C A 0049 CYS N 2.243 H A 0048 VAL O
C A 0050 PRO N 3.097 H A 0048 VAL O
C A 0050 PRO N 2.236 C A 0049 CYS O
C A 0051 VAL N 2.742 C A 0049 CYS O
C A 0051 VAL N 2.246 C A 0050 PRO O
C A 0052 SER N 3.140 C A 0049 CYS O
C A 0052 SER N 2.259 C A 0051 VAL O
C A 0053 ALA N 2.250 C A 0052 SER O
C A 0054 ILE N 2.249 C A 0053 ALA O
C A 0055 TYR N 3.074 C A 0003 VAL O
C A 0055 TYR N 3.071 C A 0053 ALA O
C A 0055 TYR N 2.244 C A 0054 ILE O
C A 0056 HIS N 2.239 C A 0055 TYR O
C A 0057 GLU N 2.248 C A 0056 HIS O
C A 0058 ASP N 3.105 C A 0056 HIS O
C A 0058 ASP N 2.250 C A 0057 GLU O
C A 0059 PHE N 2.750 C A 0056 HIS O
C A 0059 PHE N 2.267 C A 0058 ASP O
C A 0060 VAL N 2.951 C A 0056 HIS O
C A 0060 VAL N 2.251 C A 0059 PHE O
C A 0061 PRO N 2.251 C A 0060 VAL O
H A 0062 GLU N 2.243 C A 0061 PRO O
H A 0063 GLU N 3.147 C A 0061 PRO O
H A 0063 GLU N 2.240 H A 0062 GLU O
H A 0064 TRP N 2.708 C A 0061 PRO O
H A 0064 TRP N 3.132 H A 0062 GLU O
H A 0064 TRP N 2.250 H A 0063 GLU O
H A 0065 LYS N 2.768 C A 0061 PRO O
H A 0065 LYS N 3.008 H A 0062 GLU O
H A 0065 LYS N 2.233 H A 0064 TRP O
H A 0066 SER N 3.041 H A 0064 TRP O
H A 0066 SER N 2.237 H A 0065 LYS O
H A 0067 TYR N 2.775 H A 0064 TRP O
H A 0067 TYR N 3.189 H A 0065 LYS O
H A 0067 TYR N 2.246 H A 0066 SER O
H A 0068 ILE N 2.806 H A 0065 LYS O
H A 0068 ILE N 2.228 H A 0067 TYR O
H A 0069 GLN N 3.000 H A 0065 LYS O
H A 0069 GLN N 2.255 H A 0068 ILE O
H A 0070 LYS N 2.897 H A 0066 SER O
H A 0070 LYS N 3.136 H A 0067 TYR O
H A 0070 LYS N 2.233 H A 0069 GLN O
H A 0071 ASN N 2.748 H A 0067 TYR O
H A 0071 ASN N 2.257 H A 0070 LYS O
H A 0072 ARG N 2.825 H A 0068 ILE O
H A 0072 ARG N 2.242 H A 0071 ASN O
H A 0073 ASP N 2.828 H A 0069 GLN O
H A 0073 ASP N 2.278 H A 0072 ARG O
H A 0074 PHE N 2.868 H A 0070 LYS O
H A 0074 PHE N 2.278 H A 0073 ASP O
H A 0075 PHE N 2.903 H A 0073 ASP O
H A 0075 PHE N 2.257 H A 0074 PHE O
C A 0076 LYS N 2.905 H A 0073 ASP O
C A 0076 LYS N 2.248 H A 0075 PHE O
C A 0077 LYS N 2.250 C A 0076 LYS O
HB_MS 2.00 3.20 16
C A 0001 ALA N 2.613 C A 0041 ASP OD2
C A 0001 ALA O 3.128 C A 0056 HIS NE2
C A 0018 GLU N 2.761 C A 0023 ASP OD1
C A 0029 GLU O 2.640 C A 0012 LYS NZ
E A 0034 ILE N 3.191 H A 0071 ASN OD1
C A 0036 PRO N 2.992 C A 0035 ASP OD1
C A 0037 ASP N 2.682 C A 0035 ASP OD1
C A 0052 SER O 2.704 C A 0055 TYR OH
C A 0053 ALA N 2.862 H A 0046 GLU OE1
C A 0054 ILE N 2.664 H A 0046 GLU OE1
C A 0058 ASP O 2.754 H A 0065 LYS NZ
C A 0060 VAL O 2.657 H A 0065 LYS NZ
H A 0063 GLU O 2.766 H A 0066 SER OG
H A 0067 TYR O 2.775 H A 0071 ASN ND2
H A 0072 ARG O 2.746 C A 0076 LYS NZ
H A 0074 PHE N 3.075 H A 0073 ASP OD2
HB_SS 2.00 3.20 8
H A 0006 GLU OE2 2.655 H A 0064 TRP NE1
H A 0006 GLU OE1 2.612 H A 0067 TYR OH
E A 0027 GLU OE2 2.596 E A 0032 TYR OH
C A 0030 ASP OD2 2.686 C A 0031 GLN NE2
C A 0030 ASP OD1 2.657 E A 0033 TYR OH
C A 0030 ASP OD2 3.156 E A 0033 TYR OH
C A 0041 ASP OD1 2.604 C A 0002 TYR OH
H A 0046 GLU OE2 2.651 C A 0052 SER OG
AROMATIC 0.00 8.00 4
H A 0070 LYS 3.553 H A 0074 PHE
H A 0074 PHE 5.385 H A 0075 PHE
C A 0076 LYS 5.653 H A 0075 PHE
C A 0002 TYR 5.770 C A 0056 HIS