Complet list of 1u4a con file
Complete list of 1u4a.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 325
C A 0014 ASN C 2.438 C A 0015 ASP CA
C A 0014 ASN C 3.293 C A 0015 ASP C
C A 0014 ASN C 3.637 C A 0015 ASP CB
C A 0015 ASP C 2.442 C A 0016 HIS CA
C A 0015 ASP C 3.633 C A 0016 HIS C
C A 0015 ASP C 3.304 C A 0016 HIS CB
C A 0015 ASP C 3.731 C A 0016 HIS CG
C A 0015 ASP C 3.712 C A 0016 HIS CD2
C A 0016 HIS C 2.437 E A 0017 ILE CA
C A 0016 HIS C 3.291 E A 0017 ILE C
C A 0016 HIS C 3.669 E A 0017 ILE CB
C A 0016 HIS CG 3.799 E A 0033 ILE C
C A 0016 HIS CD2 3.247 E A 0033 ILE C
E A 0017 ILE C 2.443 E A 0018 ASN CA
E A 0017 ILE C 3.300 E A 0018 ASN C
E A 0017 ILE C 3.637 E A 0018 ASN CB
E A 0017 ILE CB 3.548 E A 0019 LEU CD1
E A 0017 ILE CG1 3.208 E A 0019 LEU CD1
E A 0017 ILE CD1 3.273 E A 0019 LEU CD1
E A 0017 ILE CG1 3.735 E A 0033 ILE CG1
E A 0017 ILE CD1 3.776 E A 0033 ILE CD1
E A 0017 ILE CA 3.693 C A 0079 ASP CA
E A 0018 ASN C 2.440 E A 0019 LEU CA
E A 0018 ASN C 3.268 E A 0019 LEU C
E A 0018 ASN C 3.654 E A 0019 LEU CB
E A 0019 LEU C 2.441 E A 0020 LYS CA
E A 0019 LEU C 3.379 E A 0020 LYS C
E A 0019 LEU C 3.582 E A 0020 LYS CB
E A 0019 LEU CB 3.648 E A 0083 ILE CD1
E A 0019 LEU CD2 3.767 E A 0083 ILE CD1
E A 0020 LYS C 2.445 E A 0021 VAL CA
E A 0020 LYS C 3.233 E A 0021 VAL C
E A 0020 LYS C 3.708 E A 0021 VAL CB
E A 0020 LYS C 3.714 E A 0083 ILE CD1
E A 0021 VAL C 2.442 E A 0022 ALA CA
E A 0021 VAL C 3.396 E A 0022 ALA C
E A 0021 VAL C 3.565 E A 0022 ALA CB
E A 0021 VAL CB 3.492 H A 0046 TYR CE2
E A 0021 VAL CG1 3.738 H A 0046 TYR CE2
E A 0021 VAL CG1 3.694 H A 0046 TYR CZ
E A 0021 VAL CG2 3.459 E A 0083 ILE CD1
E A 0021 VAL CG1 3.554 E A 0085 VAL CB
E A 0021 VAL CG1 3.682 E A 0085 VAL CG1
E A 0022 ALA CA 3.799 E A 0023 GLY CA
E A 0022 ALA C 2.426 E A 0023 GLY CA
E A 0022 ALA C 3.206 E A 0023 GLY C
E A 0023 GLY C 2.450 C A 0024 GLN CA
E A 0023 GLY C 3.043 C A 0024 GLN C
E A 0023 GLY C 3.732 C A 0024 GLN CB
E A 0023 GLY CA 3.365 E A 0085 VAL CG1
C A 0024 GLN C 2.446 C A 0025 ASP CA
C A 0024 GLN C 3.286 C A 0025 ASP C
C A 0024 GLN C 3.659 C A 0025 ASP CB
C A 0024 GLN CB 3.583 E A 0086 PHE CD1
C A 0024 GLN CB 3.592 E A 0086 PHE CE1
C A 0024 GLN CD 3.620 E A 0086 PHE CA
C A 0025 ASP C 2.434 C A 0026 GLY CA
C A 0025 ASP C 3.013 C A 0026 GLY C
C A 0026 GLY C 2.445 E A 0027 SER CA
C A 0026 GLY C 3.478 E A 0027 SER C
C A 0026 GLY C 3.517 E A 0027 SER CB
E A 0027 SER C 2.448 E A 0028 VAL CA
E A 0027 SER C 3.492 E A 0028 VAL C
E A 0027 SER C 3.541 E A 0028 VAL CB
E A 0027 SER C 3.705 E A 0028 VAL CG1
E A 0028 VAL C 2.444 E A 0029 VAL CA
E A 0028 VAL C 3.615 E A 0029 VAL C
E A 0028 VAL C 3.386 E A 0029 VAL CB
E A 0028 VAL C 3.246 E A 0029 VAL CG2
E A 0029 VAL C 2.448 E A 0030 GLN CA
E A 0029 VAL C 3.406 E A 0030 GLN C
E A 0029 VAL C 3.586 E A 0030 GLN CB
E A 0030 GLN C 2.447 E A 0031 PHE CA
E A 0030 GLN C 3.609 E A 0031 PHE C
E A 0030 GLN C 3.364 E A 0031 PHE CB
E A 0030 GLN C 3.761 E A 0031 PHE CG
E A 0031 PHE C 2.447 E A 0032 LYS CA
E A 0031 PHE C 3.505 E A 0032 LYS C
E A 0031 PHE C 3.494 E A 0032 LYS CB
E A 0031 PHE CB 3.214 H A 0042 LEU CD1
E A 0031 PHE CZ 3.715 H A 0045 ALA C
E A 0031 PHE CE2 3.550 H A 0046 TYR CA
E A 0031 PHE CE2 3.648 H A 0046 TYR CB
E A 0031 PHE CE2 3.578 H A 0046 TYR CD2
E A 0032 LYS C 2.448 E A 0033 ILE CA
E A 0032 LYS C 3.662 E A 0033 ILE C
E A 0032 LYS C 3.314 E A 0033 ILE CB
E A 0032 LYS C 3.270 E A 0033 ILE CG2
E A 0033 ILE C 2.444 C A 0034 LYS CA
E A 0033 ILE C 3.241 C A 0034 LYS C
E A 0033 ILE C 3.675 C A 0034 LYS CB
C A 0034 LYS C 2.445 C A 0035 ARG CA
C A 0034 LYS C 3.346 C A 0035 ARG C
C A 0034 LYS C 3.627 C A 0035 ARG CB
C A 0034 LYS CE 3.561 C A 0037 THR CG2
C A 0035 ARG C 2.446 C A 0036 HIS CA
C A 0035 ARG C 3.570 C A 0036 HIS C
C A 0035 ARG C 3.419 C A 0036 HIS CB
C A 0035 ARG C 3.798 C A 0036 HIS CD2
C A 0036 HIS C 2.450 C A 0037 THR CA
C A 0036 HIS C 3.670 C A 0037 THR C
C A 0036 HIS C 3.273 C A 0037 THR CB
C A 0036 HIS C 3.719 C A 0037 THR CG2
C A 0037 THR CA 2.923 H A 0038 PRO CD
C A 0037 THR C 2.475 H A 0038 PRO CA
C A 0037 THR C 3.161 H A 0038 PRO C
C A 0037 THR C 3.656 H A 0038 PRO CB
C A 0037 THR C 3.653 H A 0038 PRO CG
C A 0037 THR C 2.515 H A 0038 PRO CD
C A 0037 THR CB 3.335 H A 0038 PRO CD
C A 0037 THR CG2 3.676 H A 0038 PRO CD
C A 0037 THR C 3.718 H A 0071 THR CG2
H A 0038 PRO C 2.447 H A 0039 LEU CA
H A 0038 PRO C 3.082 H A 0039 LEU C
H A 0038 PRO C 3.724 H A 0039 LEU CB
H A 0038 PRO CA 3.313 H A 0071 THR CG2
H A 0038 PRO CB 3.710 H A 0071 THR CG2
H A 0039 LEU C 2.448 H A 0040 SER CA
H A 0039 LEU C 2.954 H A 0040 SER C
H A 0039 LEU C 3.723 H A 0040 SER CB
H A 0039 LEU CD2 3.729 H A 0042 LEU CD2
H A 0039 LEU CD1 3.412 E A 0066 ILE CD1
H A 0039 LEU CD1 3.302 C A 0070 ASP CB
H A 0039 LEU CG 3.758 H A 0074 GLN CD
H A 0039 LEU CD2 3.693 H A 0074 GLN CD
H A 0040 SER C 2.446 H A 0041 LYS CA
H A 0040 SER C 3.117 H A 0041 LYS C
H A 0040 SER C 3.715 H A 0041 LYS CB
H A 0041 LYS C 2.447 H A 0042 LEU CA
H A 0041 LYS C 3.031 H A 0042 LEU C
H A 0041 LYS C 3.730 H A 0042 LEU CB
H A 0042 LEU C 2.444 H A 0043 MET CA
H A 0042 LEU C 3.003 H A 0043 MET C
H A 0042 LEU C 3.733 H A 0043 MET CB
H A 0042 LEU CD2 3.764 E A 0059 PHE CE2
H A 0043 MET C 2.441 H A 0044 LYS CA
H A 0043 MET C 3.017 H A 0044 LYS C
H A 0043 MET C 3.728 H A 0044 LYS CB
H A 0043 MET CE 3.778 C A 0057 ILE CG1
H A 0043 MET CG 3.778 E A 0059 PHE CD1
H A 0043 MET CG 3.458 E A 0059 PHE CE1
H A 0044 LYS C 2.447 H A 0045 ALA CA
H A 0044 LYS C 2.998 H A 0045 ALA C
H A 0044 LYS C 3.720 H A 0045 ALA CB
H A 0044 LYS CE 3.478 C A 0054 MET CE
H A 0045 ALA C 2.443 H A 0046 TYR CA
H A 0045 ALA C 3.134 H A 0046 TYR C
H A 0045 ALA C 3.704 H A 0046 TYR CB
H A 0046 TYR C 2.451 H A 0047 SER CA
H A 0046 TYR C 3.023 H A 0047 SER C
H A 0046 TYR C 3.732 H A 0047 SER CB
H A 0046 TYR CE1 3.684 H A 0050 GLN CD
H A 0046 TYR CZ 3.636 H A 0050 GLN CD
H A 0046 TYR CE1 3.493 E A 0085 VAL CG1
H A 0046 TYR CZ 3.634 E A 0085 VAL CG1
H A 0047 SER C 2.447 H A 0048 GLU CA
H A 0047 SER C 3.093 H A 0048 GLU C
H A 0047 SER C 3.716 H A 0048 GLU CB
H A 0048 GLU C 2.442 H A 0049 ARG CA
H A 0048 GLU C 3.169 H A 0049 ARG C
H A 0048 GLU C 3.693 H A 0049 ARG CB
H A 0049 ARG C 2.446 H A 0050 GLN CA
H A 0049 ARG C 3.079 H A 0050 GLN C
H A 0049 ARG C 3.724 H A 0050 GLN CB
H A 0050 GLN C 2.425 H A 0051 GLY CA
H A 0050 GLN C 3.622 H A 0051 GLY C
H A 0051 GLY CA 3.794 C A 0052 LEU CA
H A 0051 GLY C 2.438 C A 0052 LEU CA
H A 0051 GLY C 3.507 C A 0052 LEU C
H A 0051 GLY C 3.466 C A 0052 LEU CB
H A 0051 GLY C 3.504 C A 0052 LEU CG
C A 0052 LEU C 2.440 C A 0053 SER CA
C A 0052 LEU C 3.525 C A 0053 SER C
C A 0052 LEU C 3.455 C A 0053 SER CB
C A 0052 LEU CB 3.608 C A 0057 ILE CD1
C A 0052 LEU CD2 3.734 C A 0087 GLN CD
C A 0053 SER C 2.438 C A 0054 MET CA
C A 0053 SER C 3.322 C A 0054 MET C
C A 0053 SER C 3.625 C A 0054 MET CB
C A 0054 MET C 2.444 C A 0055 ARG CA
C A 0054 MET C 3.622 C A 0055 ARG C
C A 0054 MET C 3.355 C A 0055 ARG CB
C A 0054 MET C 3.260 C A 0055 ARG CG
C A 0055 ARG C 2.442 C A 0056 GLN CA
C A 0055 ARG C 3.695 C A 0056 GLN C
C A 0055 ARG C 3.145 C A 0056 GLN CB
C A 0055 ARG C 3.655 C A 0056 GLN CG
C A 0056 GLN C 2.442 C A 0057 ILE CA
C A 0056 GLN C 3.634 C A 0057 ILE C
C A 0056 GLN C 3.345 C A 0057 ILE CB
C A 0056 GLN C 3.166 C A 0057 ILE CG1
C A 0056 GLN C 3.397 C A 0057 ILE CD1
C A 0057 ILE C 2.445 E A 0058 ARG CA
C A 0057 ILE C 3.695 E A 0058 ARG C
C A 0057 ILE C 3.186 E A 0058 ARG CB
E A 0058 ARG C 2.442 E A 0059 PHE CA
E A 0058 ARG C 3.311 E A 0059 PHE C
E A 0058 ARG C 3.634 E A 0059 PHE CB
E A 0059 PHE C 2.441 E A 0060 ARG CA
E A 0059 PHE C 3.407 E A 0060 ARG C
E A 0059 PHE C 3.571 E A 0060 ARG CB
E A 0059 PHE CB 3.441 E A 0066 ILE CG1
E A 0059 PHE CD1 3.799 E A 0085 VAL CG2
E A 0059 PHE CE1 3.522 E A 0085 VAL CG2
E A 0060 ARG C 2.444 C A 0061 PHE CA
E A 0060 ARG C 3.508 C A 0061 PHE C
E A 0060 ARG C 3.475 C A 0061 PHE CB
E A 0060 ARG C 3.649 E A 0083 ILE CG2
E A 0060 ARG CB 3.770 E A 0086 PHE CD2
C A 0061 PHE C 2.451 C A 0062 ASP CA
C A 0061 PHE C 3.000 C A 0062 ASP C
C A 0061 PHE C 3.061 C A 0062 ASP CB
C A 0062 ASP C 2.429 C A 0063 GLY CA
C A 0062 ASP C 3.171 C A 0063 GLY C
C A 0063 GLY C 2.442 C A 0064 GLN CA
C A 0063 GLY C 3.540 C A 0064 GLN C
C A 0063 GLY C 3.445 C A 0064 GLN CB
C A 0063 GLY C 3.647 C A 0064 GLN CG
C A 0063 GLY C 3.745 E A 0065 PRO CD
C A 0064 GLN CA 2.909 E A 0065 PRO CD
C A 0064 GLN C 2.480 E A 0065 PRO CA
C A 0064 GLN C 3.028 E A 0065 PRO C
C A 0064 GLN C 3.665 E A 0065 PRO CB
C A 0064 GLN C 3.639 E A 0065 PRO CG
C A 0064 GLN C 2.509 E A 0065 PRO CD
E A 0065 PRO C 2.440 E A 0066 ILE CA
E A 0065 PRO C 3.490 E A 0066 ILE C
E A 0065 PRO C 3.530 E A 0066 ILE CB
E A 0065 PRO C 3.698 E A 0066 ILE CG2
E A 0066 ILE C 2.446 C A 0067 ASN CA
E A 0066 ILE C 3.271 C A 0067 ASN C
E A 0066 ILE C 3.660 C A 0067 ASN CB
C A 0067 ASN C 2.448 C A 0068 GLU CA
C A 0067 ASN C 3.081 C A 0068 GLU C
C A 0067 ASN C 3.733 C A 0068 GLU CB
C A 0068 GLU C 2.449 C A 0069 THR CA
C A 0068 GLU C 3.260 C A 0069 THR C
C A 0068 GLU C 3.681 C A 0069 THR CB
C A 0069 THR C 2.444 C A 0070 ASP CA
C A 0069 THR C 3.220 C A 0070 ASP C
C A 0069 THR C 3.683 C A 0070 ASP CB
C A 0070 ASP C 2.456 H A 0071 THR CA
C A 0070 ASP C 3.741 H A 0071 THR C
C A 0070 ASP C 3.094 H A 0071 THR CB
C A 0070 ASP C 3.744 H A 0071 THR CG2
H A 0071 THR CA 2.953 H A 0072 PRO CD
H A 0071 THR C 2.480 H A 0072 PRO CA
H A 0071 THR C 2.989 H A 0072 PRO C
H A 0071 THR C 3.652 H A 0072 PRO CB
H A 0071 THR C 3.670 H A 0072 PRO CG
H A 0071 THR C 2.525 H A 0072 PRO CD
H A 0071 THR CB 3.113 H A 0072 PRO CD
H A 0072 PRO C 2.440 H A 0073 ALA CA
H A 0072 PRO C 3.042 H A 0073 ALA C
H A 0072 PRO C 3.715 H A 0073 ALA CB
H A 0073 ALA C 2.443 H A 0074 GLN CA
H A 0073 ALA C 3.021 H A 0074 GLN C
H A 0073 ALA C 3.727 H A 0074 GLN CB
H A 0074 GLN C 2.442 H A 0075 LEU CA
H A 0074 GLN C 3.130 H A 0075 LEU C
H A 0074 GLN C 3.698 H A 0075 LEU CB
H A 0074 GLN CA 3.664 H A 0077 MET CE
H A 0075 LEU C 2.444 H A 0076 GLU CA
H A 0075 LEU C 3.003 H A 0076 GLU C
H A 0075 LEU C 3.727 H A 0076 GLU CB
H A 0076 GLU C 2.454 H A 0077 MET CA
H A 0076 GLU C 3.068 H A 0077 MET C
H A 0076 GLU C 3.735 H A 0077 MET CB
H A 0077 MET C 2.448 C A 0078 GLU CA
H A 0077 MET C 3.453 C A 0078 GLU C
H A 0077 MET C 3.556 C A 0078 GLU CB
H A 0077 MET CB 3.723 E A 0081 ASP CG
H A 0077 MET CG 3.759 E A 0081 ASP CG
C A 0078 GLU C 2.451 C A 0079 ASP CA
C A 0078 GLU C 3.743 C A 0079 ASP C
C A 0078 GLU C 3.039 C A 0079 ASP CB
C A 0078 GLU C 3.445 C A 0079 ASP CG
C A 0079 ASP C 2.446 C A 0080 GLU CA
C A 0079 ASP C 3.226 C A 0080 GLU C
C A 0079 ASP C 3.679 C A 0080 GLU CB
C A 0080 GLU C 2.441 E A 0081 ASP CA
C A 0080 GLU C 3.637 E A 0081 ASP C
C A 0080 GLU C 3.311 E A 0081 ASP CB
C A 0080 GLU C 3.401 E A 0081 ASP CG
E A 0081 ASP C 2.448 E A 0082 THR CA
E A 0081 ASP C 3.430 E A 0082 THR C
E A 0081 ASP C 3.568 E A 0082 THR CB
E A 0082 THR C 2.444 E A 0083 ILE CA
E A 0082 THR C 3.599 E A 0083 ILE C
E A 0082 THR C 3.409 E A 0083 ILE CB
E A 0082 THR C 3.248 E A 0083 ILE CG1
E A 0082 THR C 3.489 E A 0083 ILE CD1
E A 0083 ILE C 2.445 E A 0084 ASP CA
E A 0083 ILE C 3.584 E A 0084 ASP C
E A 0083 ILE C 3.395 E A 0084 ASP CB
E A 0083 ILE C 3.415 E A 0084 ASP CG
E A 0084 ASP C 2.429 E A 0085 VAL CA
E A 0084 ASP C 3.189 E A 0085 VAL C
E A 0084 ASP C 3.704 E A 0085 VAL CB
E A 0084 ASP CB 3.355 E A 0086 PHE CE2
E A 0085 VAL C 2.442 E A 0086 PHE CA
E A 0085 VAL C 3.532 E A 0086 PHE C
E A 0085 VAL C 3.454 E A 0086 PHE CB
E A 0085 VAL C 3.656 E A 0086 PHE CG
E A 0086 PHE C 2.447 C A 0087 GLN CA
E A 0086 PHE C 3.550 C A 0087 GLN C
E A 0086 PHE C 3.440 C A 0087 GLN CB
E A 0086 PHE C 3.497 C A 0087 GLN CG
E A 0086 PHE CB 3.618 C A 0088 GLN CD
C A 0087 GLN C 2.448 C A 0088 GLN CA
C A 0087 GLN C 3.632 C A 0088 GLN C
C A 0087 GLN C 3.351 C A 0088 GLN CB
C A 0087 GLN C 3.370 C A 0088 GLN CG
C A 0087 GLN C 3.779 C A 0088 GLN CD
C A 0088 GLN C 2.452 C A 0089 GLN CA
C A 0088 GLN C 3.490 C A 0089 GLN C
C A 0088 GLN C 3.524 C A 0089 GLN CB
C A 0089 GLN C 2.459 C A 0090 THR CA
C A 0089 GLN C 3.110 C A 0090 THR C
C A 0089 GLN C 2.972 C A 0090 THR CB
C A 0090 THR C 2.433 C A 0091 GLY CA
C A 0090 THR C 3.375 C A 0091 GLY C
C A 0091 GLY CA 3.800 C A 0092 GLY CA
C A 0091 GLY C 2.433 C A 0092 GLY CA
C A 0091 GLY C 3.402 C A 0092 GLY C
CHARGE_ATTR 2.00 12.00 69
C A 0015 ASP OD1 7.392 C A 0016 HIS ND1
C A 0015 ASP OD1 6.549 C A 0016 HIS NE2
C A 0015 ASP OD2 7.805 C A 0016 HIS ND1
C A 0015 ASP OD2 6.866 C A 0016 HIS NE2
C A 0015 ASP OD1 11.18 E A 0032 LYS NZ
C A 0015 ASP OD2 11.89 E A 0032 LYS NZ
C A 0015 ASP OD1 9.832 C A 0034 LYS NZ
C A 0015 ASP OD2 9.541 C A 0034 LYS NZ
C A 0015 ASP OD1 8.939 C A 0035 ARG NH1
C A 0015 ASP OD1 8.266 C A 0035 ARG NH2
C A 0015 ASP OD2 6.896 C A 0035 ARG NH1
C A 0015 ASP OD2 6.372 C A 0035 ARG NH2
C A 0015 ASP OD1 9.088 C A 0036 HIS ND1
C A 0015 ASP OD1 9.256 C A 0036 HIS NE2
C A 0015 ASP OD2 7.728 C A 0036 HIS ND1
C A 0015 ASP OD2 7.589 C A 0036 HIS NE2
H A 0048 GLU OE1 11.32 H A 0041 LYS NZ
H A 0048 GLU OE1 3.770 H A 0044 LYS NZ
H A 0048 GLU OE2 5.454 H A 0044 LYS NZ
H A 0048 GLU OE1 8.534 H A 0049 ARG NH1
H A 0048 GLU OE1 7.933 H A 0049 ARG NH2
H A 0048 GLU OE2 8.145 H A 0049 ARG NH1
H A 0048 GLU OE2 7.013 H A 0049 ARG NH2
H A 0048 GLU OE1 10.23 C A 0055 ARG NH1
H A 0048 GLU OE1 11.43 C A 0055 ARG NH2
H A 0048 GLU OE2 10.83 C A 0055 ARG NH1
H A 0048 GLU OE2 11.97 C A 0055 ARG NH2
C A 0062 ASP OD1 10.02 E A 0060 ARG NH1
C A 0062 ASP OD1 9.827 E A 0060 ARG NH2
C A 0062 ASP OD2 9.981 E A 0060 ARG NH1
C A 0062 ASP OD2 9.305 E A 0060 ARG NH2
C A 0068 GLU OE1 7.722 H A 0041 LYS NZ
C A 0068 GLU OE2 9.678 H A 0041 LYS NZ
C A 0068 GLU OE1 7.307 H A 0044 LYS NZ
C A 0068 GLU OE2 8.539 H A 0044 LYS NZ
C A 0068 GLU OE1 10.81 C A 0055 ARG NH1
C A 0068 GLU OE1 11.40 C A 0055 ARG NH2
C A 0068 GLU OE2 9.466 C A 0055 ARG NH1
C A 0068 GLU OE2 9.976 C A 0055 ARG NH2
H A 0076 GLU OE1 11.38 C A 0035 ARG NH1
H A 0076 GLU OE2 10.89 C A 0035 ARG NH1
C A 0078 GLU OE2 11.84 E A 0020 LYS NZ
C A 0078 GLU OE1 9.521 C A 0035 ARG NH1
C A 0078 GLU OE1 7.987 C A 0035 ARG NH2
C A 0078 GLU OE2 10.85 C A 0035 ARG NH1
C A 0078 GLU OE2 9.146 C A 0035 ARG NH2
C A 0079 ASP OD1 11.15 C A 0016 HIS ND1
C A 0079 ASP OD1 11.85 C A 0016 HIS NE2
C A 0079 ASP OD2 11.05 C A 0016 HIS ND1
C A 0079 ASP OD1 11.32 E A 0020 LYS NZ
C A 0079 ASP OD2 9.268 E A 0020 LYS NZ
C A 0079 ASP OD2 11.56 E A 0032 LYS NZ
C A 0079 ASP OD1 9.326 C A 0035 ARG NH1
C A 0079 ASP OD1 7.470 C A 0035 ARG NH2
C A 0079 ASP OD2 11.36 C A 0035 ARG NH1
C A 0079 ASP OD2 9.596 C A 0035 ARG NH2
C A 0080 GLU OE1 5.407 E A 0020 LYS NZ
C A 0080 GLU OE2 4.186 E A 0020 LYS NZ
C A 0080 GLU OE2 11.96 E A 0032 LYS NZ
E A 0081 ASP OD1 9.858 E A 0020 LYS NZ
E A 0081 ASP OD2 10.49 E A 0020 LYS NZ
E A 0081 ASP OD1 10.91 C A 0035 ARG NH1
E A 0081 ASP OD1 10.19 C A 0035 ARG NH2
E A 0081 ASP OD2 11.74 C A 0035 ARG NH2
E A 0084 ASP OD1 11.00 E A 0020 LYS NZ
E A 0084 ASP OD1 8.694 E A 0060 ARG NH1
E A 0084 ASP OD1 10.36 E A 0060 ARG NH2
E A 0084 ASP OD2 7.056 E A 0060 ARG NH1
E A 0084 ASP OD2 8.508 E A 0060 ARG NH2
CHARGE_REPU 2.00 12.00 78
C A 0015 ASP OD1 10.31 C A 0079 ASP OD1
C A 0015 ASP OD1 11.53 C A 0079 ASP OD2
C A 0015 ASP OD2 9.151 C A 0079 ASP OD1
C A 0015 ASP OD2 10.57 C A 0079 ASP OD2
C A 0016 HIS ND1 5.045 E A 0032 LYS NZ
C A 0016 HIS NE2 7.115 E A 0032 LYS NZ
C A 0016 HIS ND1 9.158 C A 0034 LYS NZ
C A 0016 HIS NE2 7.094 C A 0034 LYS NZ
C A 0016 HIS NE2 11.22 C A 0036 HIS ND1
C A 0025 ASP OD1 11.15 E A 0084 ASP OD1
C A 0034 LYS NZ 7.966 C A 0036 HIS ND1
C A 0034 LYS NZ 9.747 C A 0036 HIS NE2
C A 0034 LYS NZ 7.887 H A 0041 LYS NZ
C A 0035 ARG NH1 7.236 C A 0036 HIS ND1
C A 0035 ARG NH1 5.365 C A 0036 HIS NE2
C A 0035 ARG NH2 8.968 C A 0036 HIS ND1
C A 0035 ARG NH2 7.306 C A 0036 HIS NE2
H A 0041 LYS NZ 7.821 H A 0044 LYS NZ
H A 0044 LYS NZ 10.76 H A 0049 ARG NH1
H A 0044 LYS NZ 10.70 H A 0049 ARG NH2
H A 0044 LYS NZ 10.83 C A 0055 ARG NH1
H A 0044 LYS NZ 11.48 C A 0055 ARG NH2
H A 0048 GLU OE1 9.592 C A 0068 GLU OE1
H A 0048 GLU OE1 10.45 C A 0068 GLU OE2
H A 0048 GLU OE2 11.70 C A 0068 GLU OE1
E A 0058 ARG NH1 9.191 E A 0060 ARG NH1
E A 0058 ARG NH1 8.925 E A 0060 ARG NH2
E A 0058 ARG NH2 7.229 E A 0060 ARG NH1
E A 0058 ARG NH2 6.722 E A 0060 ARG NH2
C A 0062 ASP OD1 11.90 H A 0076 GLU OE1
C A 0062 ASP OD2 11.24 H A 0076 GLU OE1
C A 0062 ASP OD1 10.45 E A 0081 ASP OD1
C A 0062 ASP OD1 8.356 E A 0081 ASP OD2
C A 0062 ASP OD2 11.69 E A 0081 ASP OD1
C A 0062 ASP OD2 9.521 E A 0081 ASP OD2
C A 0062 ASP OD1 9.417 E A 0084 ASP OD1
C A 0062 ASP OD1 7.604 E A 0084 ASP OD2
C A 0062 ASP OD2 11.07 E A 0084 ASP OD1
C A 0062 ASP OD2 9.080 E A 0084 ASP OD2
C A 0068 GLU OE1 11.49 C A 0070 ASP OD1
C A 0068 GLU OE1 10.74 C A 0070 ASP OD2
C A 0068 GLU OE2 11.29 C A 0070 ASP OD2
C A 0070 ASP OD1 8.531 H A 0076 GLU OE1
C A 0070 ASP OD1 8.673 H A 0076 GLU OE2
C A 0070 ASP OD2 10.00 H A 0076 GLU OE1
C A 0070 ASP OD2 10.27 H A 0076 GLU OE2
C A 0070 ASP OD1 11.90 E A 0081 ASP OD1
C A 0070 ASP OD1 11.10 E A 0081 ASP OD2
H A 0076 GLU OE1 11.00 C A 0078 GLU OE1
H A 0076 GLU OE1 9.938 E A 0081 ASP OD1
H A 0076 GLU OE1 8.914 E A 0081 ASP OD2
H A 0076 GLU OE2 11.50 E A 0081 ASP OD1
H A 0076 GLU OE2 10.73 E A 0081 ASP OD2
C A 0078 GLU OE1 5.230 C A 0079 ASP OD1
C A 0078 GLU OE1 6.413 C A 0079 ASP OD2
C A 0078 GLU OE2 4.188 C A 0079 ASP OD1
C A 0078 GLU OE2 4.734 C A 0079 ASP OD2
C A 0078 GLU OE1 9.339 C A 0080 GLU OE1
C A 0078 GLU OE1 10.22 C A 0080 GLU OE2
C A 0078 GLU OE2 7.246 C A 0080 GLU OE1
C A 0078 GLU OE2 8.176 C A 0080 GLU OE2
C A 0078 GLU OE1 6.428 E A 0081 ASP OD1
C A 0078 GLU OE1 7.450 E A 0081 ASP OD2
C A 0078 GLU OE2 6.033 E A 0081 ASP OD1
C A 0078 GLU OE2 7.292 E A 0081 ASP OD2
C A 0079 ASP OD1 7.798 C A 0080 GLU OE1
C A 0079 ASP OD1 7.598 C A 0080 GLU OE2
C A 0079 ASP OD2 5.851 C A 0080 GLU OE1
C A 0079 ASP OD2 5.454 C A 0080 GLU OE2
C A 0079 ASP OD1 6.487 E A 0081 ASP OD1
C A 0079 ASP OD1 8.538 E A 0081 ASP OD2
C A 0079 ASP OD2 6.410 E A 0081 ASP OD1
C A 0079 ASP OD2 8.410 E A 0081 ASP OD2
C A 0080 GLU OE1 7.934 E A 0081 ASP OD1
C A 0080 GLU OE1 8.868 E A 0081 ASP OD2
C A 0080 GLU OE2 7.954 E A 0081 ASP OD1
C A 0080 GLU OE2 9.163 E A 0081 ASP OD2
E A 0081 ASP OD2 11.41 E A 0084 ASP OD2
HB_MM 2.00 3.20 118
C A 0015 ASP N 2.251 C A 0014 ASN O
C A 0016 HIS N 2.255 C A 0015 ASP O
E A 0017 ILE N 2.254 C A 0016 HIS O
E A 0017 ILE N 2.790 E A 0033 ILE O
E A 0018 ASN N 2.256 E A 0017 ILE O
E A 0018 ASN N 2.841 C A 0079 ASP O
E A 0019 LEU N 2.254 E A 0018 ASN O
E A 0020 LYS N 2.256 E A 0019 LEU O
E A 0020 LYS N 3.071 E A 0081 ASP O
E A 0021 VAL N 2.257 E A 0020 LYS O
E A 0021 VAL N 3.126 E A 0029 VAL O
E A 0022 ALA N 2.258 E A 0021 VAL O
E A 0022 ALA N 2.712 E A 0083 ILE O
E A 0023 GLY N 2.255 E A 0022 ALA O
E A 0023 GLY N 2.763 E A 0027 SER O
C A 0024 GLN N 2.259 E A 0023 GLY O
C A 0025 ASP N 3.032 E A 0023 GLY O
C A 0025 ASP N 2.254 C A 0024 GLN O
C A 0026 GLY N 3.134 E A 0023 GLY O
C A 0026 GLY N 2.257 C A 0025 ASP O
E A 0027 SER N 2.257 C A 0026 GLY O
E A 0028 VAL N 2.259 E A 0027 SER O
E A 0029 VAL N 2.257 E A 0028 VAL O
E A 0030 GLN N 2.259 E A 0029 VAL O
E A 0031 PHE N 3.034 E A 0019 LEU O
E A 0031 PHE N 2.258 E A 0030 GLN O
E A 0032 LYS N 2.259 E A 0031 PHE O
E A 0033 ILE N 2.259 E A 0032 LYS O
C A 0034 LYS N 2.256 E A 0033 ILE O
C A 0035 ARG N 2.255 C A 0034 LYS O
C A 0036 HIS N 2.256 C A 0035 ARG O
C A 0037 THR N 2.255 C A 0036 HIS O
H A 0038 PRO N 2.259 C A 0037 THR O
H A 0039 LEU N 2.258 H A 0038 PRO O
H A 0039 LEU N 3.068 C A 0070 ASP O
H A 0040 SER N 3.086 H A 0038 PRO O
H A 0040 SER N 2.252 H A 0039 LEU O
H A 0040 SER N 2.633 C A 0068 GLU O
H A 0041 LYS N 2.993 H A 0039 LEU O
H A 0041 LYS N 2.254 H A 0040 SER O
H A 0042 LEU N 3.119 H A 0039 LEU O
H A 0042 LEU N 2.255 H A 0041 LYS O
H A 0043 MET N 2.639 H A 0039 LEU O
H A 0043 MET N 2.256 H A 0042 LEU O
H A 0044 LYS N 3.071 H A 0040 SER O
H A 0044 LYS N 2.254 H A 0043 MET O
H A 0045 ALA N 2.909 H A 0041 LYS O
H A 0045 ALA N 2.255 H A 0044 LYS O
H A 0046 TYR N 2.800 H A 0042 LEU O
H A 0046 TYR N 3.171 H A 0044 LYS O
H A 0046 TYR N 2.253 H A 0045 ALA O
H A 0047 SER N 2.741 H A 0043 MET O
H A 0047 SER N 2.255 H A 0046 TYR O
H A 0048 GLU N 2.712 H A 0044 LYS O
H A 0048 GLU N 2.258 H A 0047 SER O
H A 0049 ARG N 3.058 H A 0045 ALA O
H A 0049 ARG N 3.191 H A 0046 TYR O
H A 0049 ARG N 2.254 H A 0048 GLU O
H A 0050 GLN N 2.688 H A 0046 TYR O
H A 0050 GLN N 2.255 H A 0049 ARG O
H A 0051 GLY N 3.062 H A 0047 SER O
H A 0051 GLY N 2.255 H A 0050 GLN O
C A 0052 LEU N 3.019 H A 0047 SER O
C A 0052 LEU N 2.257 H A 0051 GLY O
C A 0053 SER N 2.253 C A 0052 LEU O
C A 0054 MET N 2.252 C A 0053 SER O
C A 0055 ARG N 2.256 C A 0054 MET O
C A 0056 GLN N 2.256 C A 0055 ARG O
C A 0057 ILE N 2.254 C A 0056 GLN O
E A 0058 ARG N 2.257 C A 0057 ILE O
E A 0058 ARG N 3.118 E A 0086 PHE O
E A 0059 PHE N 2.256 E A 0058 ARG O
E A 0060 ARG N 2.255 E A 0059 PHE O
E A 0060 ARG N 2.804 E A 0084 ASP O
C A 0061 PHE N 2.257 E A 0060 ARG O
C A 0062 ASP N 2.259 C A 0061 PHE O
C A 0063 GLY N 2.257 C A 0062 ASP O
C A 0064 GLN N 3.019 C A 0061 PHE O
C A 0064 GLN N 2.255 C A 0063 GLY O
E A 0065 PRO N 2.260 C A 0064 GLN O
E A 0066 ILE N 2.700 E A 0059 PHE O
E A 0066 ILE N 3.096 C A 0064 GLN O
E A 0066 ILE N 2.257 E A 0065 PRO O
C A 0067 ASN N 2.258 E A 0066 ILE O
C A 0068 GLU N 2.255 C A 0067 ASN O
C A 0069 THR N 2.252 C A 0068 GLU O
C A 0070 ASP N 3.151 C A 0068 GLU O
C A 0070 ASP N 2.254 C A 0069 THR O
H A 0071 THR N 2.259 C A 0070 ASP O
H A 0072 PRO N 2.258 H A 0071 THR O
H A 0073 ALA N 2.255 H A 0072 PRO O
H A 0074 GLN N 2.994 H A 0071 THR O
H A 0074 GLN N 2.258 H A 0073 ALA O
H A 0075 LEU N 2.734 H A 0071 THR O
H A 0075 LEU N 2.255 H A 0074 GLN O
H A 0076 GLU N 2.968 H A 0072 PRO O
H A 0076 GLU N 3.098 H A 0073 ALA O
H A 0076 GLU N 2.258 H A 0075 LEU O
H A 0077 MET N 2.259 H A 0076 GLU O
C A 0078 GLU N 2.258 H A 0077 MET O
C A 0079 ASP N 2.258 C A 0078 GLU O
C A 0080 GLU N 2.255 C A 0079 ASP O
E A 0081 ASP N 2.257 C A 0080 GLU O
E A 0082 THR N 2.260 E A 0081 ASP O
E A 0083 ILE N 3.060 E A 0020 LYS O
E A 0083 ILE N 2.255 E A 0082 THR O
E A 0084 ASP N 2.832 E A 0060 ARG O
E A 0084 ASP N 2.255 E A 0083 ILE O
E A 0085 VAL N 3.019 E A 0022 ALA O
E A 0085 VAL N 2.250 E A 0084 ASP O
E A 0086 PHE N 2.766 E A 0058 ARG O
E A 0086 PHE N 2.256 E A 0085 VAL O
C A 0087 GLN N 2.257 E A 0086 PHE O
C A 0088 GLN N 2.257 C A 0087 GLN O
C A 0089 GLN N 2.261 C A 0088 GLN O
C A 0090 THR N 2.262 C A 0089 GLN O
C A 0091 GLY N 2.260 C A 0090 THR O
C A 0092 GLY N 2.259 C A 0091 GLY O
HB_MS 2.00 3.20 8
C A 0037 THR O 2.843 H A 0074 GLN NE2
C A 0053 SER O 3.167 H A 0047 SER OG
C A 0068 GLU O 2.850 H A 0040 SER OG
C A 0070 ASP O 2.958 H A 0071 THR OG1
H A 0071 THR N 3.018 C A 0070 ASP OD1
C A 0080 GLU N 2.898 C A 0079 ASP OD2
E A 0085 VAL O 3.026 C A 0024 GLN NE2
C A 0087 GLN N 2.778 C A 0024 GLN OE1
HB_SS 2.00 3.20 2
H A 0050 GLN NE2 2.840 H A 0046 TYR OH
C A 0068 GLU OE1 3.132 H A 0040 SER OG
AROMATIC 0.00 8.00 2
E A 0032 LYS 6.247 C A 0016 HIS
H A 0046 TYR 5.910 E A 0059 PHE