Complet list of 1i6e con file
Complete list of 1i6e.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 344
C A 0001 MET C 2.497 C A 0002 ALA CA
C A 0001 MET C 3.598 C A 0002 ALA C
C A 0001 MET C 3.450 C A 0002 ALA CB
C A 0001 MET CE 3.702 H A 0087 GLU CD
C A 0002 ALA C 2.500 C A 0003 ASP CA
C A 0002 ALA C 3.460 C A 0003 ASP C
C A 0002 ALA C 3.602 C A 0003 ASP CB
C A 0002 ALA C 3.750 H A 0094 ALA CB
C A 0003 ASP CA 3.040 H A 0004 PRO CD
C A 0003 ASP C 2.508 H A 0004 PRO CA
C A 0003 ASP C 3.303 H A 0004 PRO C
C A 0003 ASP C 3.673 H A 0004 PRO CB
C A 0003 ASP C 3.700 H A 0004 PRO CG
C A 0003 ASP C 2.510 H A 0004 PRO CD
H A 0004 PRO C 2.497 H A 0005 ALA CA
H A 0004 PRO C 3.202 H A 0005 ALA C
H A 0004 PRO C 3.728 H A 0005 ALA CB
H A 0005 ALA C 2.492 H A 0006 ALA CA
H A 0005 ALA C 3.196 H A 0006 ALA C
H A 0005 ALA C 3.734 H A 0006 ALA CB
H A 0006 ALA C 2.486 H A 0007 GLY CA
H A 0006 ALA C 3.203 H A 0007 GLY C
H A 0007 GLY C 2.498 H A 0008 GLU CA
H A 0007 GLY C 3.210 H A 0008 GLU C
H A 0007 GLY C 3.759 H A 0008 GLU CB
H A 0007 GLY CA 3.524 H A 0091 ASN C
H A 0008 GLU C 2.496 H A 0009 LYS CA
H A 0008 GLU C 3.199 H A 0009 LYS C
H A 0008 GLU C 3.793 H A 0009 LYS CB
H A 0008 GLU CB 3.781 H A 0095 TYR CE1
H A 0008 GLU CG 3.676 H A 0095 TYR CZ
H A 0009 LYS C 2.508 H A 0010 VAL CA
H A 0009 LYS C 3.174 H A 0010 VAL C
H A 0010 VAL C 2.501 H A 0011 PHE CA
H A 0010 VAL C 3.189 H A 0011 PHE C
H A 0010 VAL C 3.786 H A 0011 PHE CB
H A 0011 PHE C 2.498 H A 0012 GLY CA
H A 0011 PHE C 3.191 H A 0012 GLY C
H A 0011 PHE CD2 3.653 C A 0015 LYS CG
H A 0011 PHE CZ 3.726 C A 0020 LEU CG
H A 0011 PHE CE1 3.774 C A 0030 LEU CD1
H A 0011 PHE CB 3.690 H A 0095 TYR CE2
H A 0012 GLY C 2.507 H A 0013 LYS CA
H A 0012 GLY C 3.203 H A 0013 LYS C
H A 0012 GLY C 3.771 H A 0013 LYS CB
H A 0013 LYS C 2.508 C A 0014 CYS CA
H A 0013 LYS C 3.384 C A 0014 CYS C
H A 0013 LYS C 3.689 C A 0014 CYS CB
C A 0014 CYS C 2.542 C A 0015 LYS CA
C A 0014 CYS C 3.224 C A 0015 LYS C
C A 0015 LYS C 2.491 C A 0016 ALA CA
C A 0015 LYS C 3.189 C A 0016 ALA C
C A 0015 LYS C 3.722 C A 0016 ALA CB
C A 0016 ALA C 2.489 C A 0017 CYS CA
C A 0016 ALA C 3.435 C A 0017 CYS C
C A 0016 ALA C 3.641 C A 0017 CYS CB
C A 0017 CYS C 2.509 C A 0018 HIS CA
C A 0017 CYS C 3.545 C A 0018 HIS C
C A 0017 CYS C 3.599 C A 0018 HIS CB
C A 0018 HIS C 2.483 C A 0019 LYS CA
C A 0018 HIS C 3.497 C A 0019 LYS C
C A 0018 HIS C 3.565 C A 0019 LYS CB
C A 0018 HIS C 3.700 C A 0019 LYS CG
C A 0018 HIS CE1 3.694 C A 0028 PRO CD
C A 0018 HIS CB 3.781 C A 0030 LEU CD1
C A 0018 HIS CG 3.597 C A 0030 LEU CD1
C A 0018 HIS CE1 3.716 C A 0030 LEU CD1
C A 0019 LYS C 2.503 C A 0020 LEU CA
C A 0019 LYS C 3.103 C A 0020 LEU C
C A 0019 LYS C 3.766 C A 0020 LEU CB
C A 0020 LEU C 2.473 C A 0021 ASP CA
C A 0020 LEU C 3.339 C A 0021 ASP C
C A 0020 LEU C 3.633 C A 0021 ASP CB
C A 0020 LEU CD2 3.615 C A 0030 LEU C
C A 0020 LEU CD1 3.761 H A 0095 TYR CE2
C A 0021 ASP C 2.500 C A 0022 GLY CA
C A 0021 ASP C 3.364 C A 0022 GLY C
C A 0022 GLY C 2.498 C A 0023 ASN CA
C A 0022 GLY C 3.376 C A 0023 ASN C
C A 0022 GLY C 3.673 C A 0023 ASN CB
C A 0022 GLY C 3.632 C A 0029 HIS CB
C A 0022 GLY C 3.759 C A 0029 HIS CG
C A 0023 ASN C 2.500 C A 0024 ASP CA
C A 0023 ASN C 3.392 C A 0024 ASP C
C A 0023 ASN C 3.666 C A 0024 ASP CB
C A 0024 ASP C 2.489 C A 0025 GLY CA
C A 0024 ASP C 3.531 C A 0025 GLY C
C A 0025 GLY C 2.493 C A 0026 VAL CA
C A 0025 GLY C 3.216 C A 0026 VAL C
C A 0025 GLY C 3.786 C A 0026 VAL CB
C A 0026 VAL C 2.480 C A 0027 GLY CA
C A 0026 VAL C 3.461 C A 0027 GLY C
C A 0027 GLY CA 2.984 C A 0028 PRO CD
C A 0027 GLY C 2.505 C A 0028 PRO CA
C A 0027 GLY C 3.243 C A 0028 PRO C
C A 0027 GLY C 3.664 C A 0028 PRO CB
C A 0027 GLY C 3.664 C A 0028 PRO CG
C A 0027 GLY C 2.511 C A 0028 PRO CD
C A 0027 GLY C 3.644 C A 0044 PHE CE2
C A 0028 PRO C 2.472 C A 0029 HIS CA
C A 0028 PRO C 3.172 C A 0029 HIS C
C A 0028 PRO C 3.743 C A 0029 HIS CB
C A 0029 HIS C 2.493 C A 0030 LEU CA
C A 0029 HIS C 3.467 C A 0030 LEU C
C A 0029 HIS C 3.662 C A 0030 LEU CB
C A 0029 HIS CD2 3.680 C A 0031 ASN CG
C A 0029 HIS CE1 3.765 C A 0041 VAL CG1
C A 0030 LEU C 2.499 C A 0031 ASN CA
C A 0030 LEU C 3.114 C A 0031 ASN C
C A 0031 ASN C 2.482 C A 0032 GLY CA
C A 0031 ASN C 3.190 C A 0032 GLY C
C A 0032 GLY C 2.492 C A 0033 VAL CA
C A 0032 GLY C 3.271 C A 0033 VAL C
C A 0032 GLY C 3.760 C A 0033 VAL CB
C A 0032 GLY CA 3.774 C A 0100 GLN CA
C A 0033 VAL C 2.511 C A 0034 VAL CA
C A 0033 VAL C 3.196 C A 0034 VAL C
C A 0033 VAL C 3.783 C A 0034 VAL CB
C A 0033 VAL CA 3.737 C A 0036 ARG CB
C A 0034 VAL C 2.487 C A 0035 GLY CA
C A 0034 VAL C 3.466 C A 0035 GLY C
C A 0034 VAL CG2 3.716 H A 0096 LEU CB
C A 0035 GLY C 2.497 C A 0036 ARG CA
C A 0035 GLY C 3.328 C A 0036 ARG C
C A 0035 GLY C 3.690 C A 0036 ARG CB
C A 0036 ARG C 2.495 C A 0037 THR CA
C A 0036 ARG C 3.157 C A 0037 THR C
C A 0036 ARG C 3.753 C A 0037 THR CB
C A 0036 ARG CZ 3.686 C A 0041 VAL CG2
C A 0037 THR C 2.502 C A 0038 VAL CA
C A 0037 THR C 3.140 C A 0038 VAL C
C A 0038 VAL C 2.509 C A 0039 ALA CA
C A 0038 VAL C 3.223 C A 0039 ALA C
C A 0038 VAL C 3.176 C A 0039 ALA CB
C A 0039 ALA C 2.494 C A 0040 GLY CA
C A 0039 ALA C 3.535 C A 0040 GLY C
C A 0039 ALA CA 3.786 C A 0046 TYR CE1
C A 0039 ALA C 3.777 C A 0046 TYR CE1
C A 0040 GLY C 2.496 C A 0041 VAL CA
C A 0040 GLY C 3.246 C A 0041 VAL C
C A 0040 GLY C 3.751 C A 0041 VAL CB
C A 0041 VAL C 2.496 C A 0042 ASP CA
C A 0041 VAL C 3.180 C A 0042 ASP C
C A 0041 VAL C 3.725 C A 0042 ASP CB
C A 0042 ASP C 2.480 C A 0043 GLY CA
C A 0042 ASP C 3.683 C A 0043 GLY C
C A 0043 GLY C 2.483 C A 0044 PHE CA
C A 0043 GLY C 3.254 C A 0044 PHE C
C A 0043 GLY C 3.703 C A 0044 PHE CB
C A 0044 PHE C 2.483 C A 0045 ASN CA
C A 0044 PHE C 3.239 C A 0045 ASN C
C A 0044 PHE C 3.719 C A 0045 ASN CB
C A 0045 ASN C 2.493 C A 0046 TYR CA
C A 0045 ASN C 3.409 C A 0046 TYR C
C A 0045 ASN C 3.636 C A 0046 TYR CB
C A 0046 TYR C 2.497 C A 0047 SER CA
C A 0046 TYR C 3.223 C A 0047 SER C
C A 0046 TYR C 3.744 C A 0047 SER CB
C A 0047 SER C 2.498 H A 0048 ASP CA
C A 0047 SER C 3.176 H A 0048 ASP C
C A 0047 SER C 3.783 H A 0048 ASP CB
H A 0048 ASP CA 3.108 H A 0049 PRO CD
H A 0048 ASP C 2.510 H A 0049 PRO CA
H A 0048 ASP C 3.252 H A 0049 PRO C
H A 0048 ASP C 3.696 H A 0049 PRO CB
H A 0048 ASP C 3.703 H A 0049 PRO CG
H A 0048 ASP C 2.515 H A 0049 PRO CD
H A 0048 ASP CB 3.506 H A 0049 PRO CD
H A 0049 PRO C 2.497 H A 0050 MET CA
H A 0049 PRO C 3.206 H A 0050 MET C
H A 0049 PRO C 3.741 H A 0050 MET CB
H A 0049 PRO C 3.620 C A 0073 VAL CG1
H A 0049 PRO CG 3.703 C A 0075 GLY CA
H A 0049 PRO CG 3.648 C A 0075 GLY C
H A 0050 MET C 2.508 H A 0051 LYS CA
H A 0050 MET C 3.193 H A 0051 LYS C
H A 0050 MET C 3.779 H A 0051 LYS CB
H A 0050 MET CE 3.628 H A 0065 PHE CZ
H A 0051 LYS C 2.492 H A 0052 ALA CA
H A 0051 LYS C 3.324 H A 0052 ALA C
H A 0051 LYS C 3.683 H A 0052 ALA CB
H A 0052 ALA C 2.504 H A 0053 HIS CA
H A 0052 ALA C 3.204 H A 0053 HIS C
H A 0052 ALA C 3.748 H A 0053 HIS CB
H A 0053 HIS C 2.484 C A 0054 GLY CA
H A 0053 HIS C 3.326 C A 0054 GLY C
C A 0054 GLY C 2.475 C A 0055 GLY CA
C A 0054 GLY C 3.266 C A 0055 GLY C
C A 0055 GLY C 2.487 C A 0056 ASP CA
C A 0055 GLY C 3.654 C A 0056 ASP C
C A 0055 GLY C 3.450 C A 0056 ASP CB
C A 0055 GLY C 3.561 C A 0056 ASP CG
C A 0056 ASP C 2.498 C A 0057 TRP CA
C A 0056 ASP C 3.270 C A 0057 TRP C
C A 0056 ASP C 3.723 C A 0057 TRP CB
C A 0057 TRP C 2.502 C A 0058 THR CA
C A 0057 TRP C 3.215 C A 0058 THR C
C A 0057 TRP C 3.753 C A 0058 THR CB
C A 0057 TRP CZ3 3.579 H A 0065 PHE CB
C A 0057 TRP CZ3 3.798 H A 0065 PHE CG
C A 0057 TRP CH2 3.495 H A 0065 PHE CG
C A 0057 TRP CH2 3.747 H A 0065 PHE CD1
C A 0057 TRP CH2 3.756 H A 0065 PHE CD2
C A 0058 THR CA 3.050 H A 0059 PRO CD
C A 0058 THR C 2.509 H A 0059 PRO CA
C A 0058 THR C 3.204 H A 0059 PRO C
C A 0058 THR C 3.695 H A 0059 PRO CB
C A 0058 THR C 3.675 H A 0059 PRO CG
C A 0058 THR C 2.514 H A 0059 PRO CD
C A 0058 THR CB 3.538 H A 0059 PRO CD
H A 0059 PRO C 2.495 H A 0060 GLU CA
H A 0059 PRO C 3.237 H A 0060 GLU C
H A 0059 PRO C 3.751 H A 0060 GLU CB
H A 0060 GLU C 2.498 H A 0061 ALA CA
H A 0060 GLU C 3.168 H A 0061 ALA C
H A 0060 GLU C 3.744 H A 0061 ALA CB
H A 0061 ALA C 2.499 H A 0062 LEU CA
H A 0061 ALA C 3.171 H A 0062 LEU C
H A 0061 ALA C 3.783 H A 0062 LEU CB
H A 0062 LEU C 2.496 H A 0063 GLN CA
H A 0062 LEU C 3.154 H A 0063 GLN C
H A 0063 GLN C 2.493 H A 0064 GLU CA
H A 0063 GLN C 3.158 H A 0064 GLU C
H A 0063 GLN C 3.772 H A 0064 GLU CB
H A 0063 GLN CG 3.680 H A 0093 ILE CD1
H A 0064 GLU C 2.501 H A 0065 PHE CA
H A 0064 GLU C 3.203 H A 0065 PHE C
H A 0064 GLU C 3.739 H A 0065 PHE CB
H A 0064 GLU C 3.747 H A 0072 VAL CG2
H A 0065 PHE C 2.486 H A 0066 LEU CA
H A 0065 PHE C 3.268 H A 0066 LEU C
H A 0065 PHE C 3.746 H A 0066 LEU CB
H A 0065 PHE CD1 3.741 H A 0069 PRO CA
H A 0065 PHE CE1 3.763 H A 0069 PRO CA
H A 0065 PHE CE1 3.669 H A 0069 PRO CB
H A 0065 PHE CZ 3.696 H A 0069 PRO CB
H A 0065 PHE CE2 3.503 C A 0078 MET CE
H A 0066 LEU C 2.507 H A 0067 THR CA
H A 0066 LEU C 3.179 H A 0067 THR C
H A 0066 LEU C 3.796 H A 0067 THR CB
H A 0067 THR C 2.499 C A 0068 ASN CA
H A 0067 THR C 3.737 C A 0068 ASN C
H A 0067 THR C 3.289 C A 0068 ASN CB
C A 0068 ASN CA 3.045 H A 0069 PRO CD
C A 0068 ASN C 2.504 H A 0069 PRO CA
C A 0068 ASN C 3.326 H A 0069 PRO C
C A 0068 ASN C 3.647 H A 0069 PRO CB
C A 0068 ASN C 3.697 H A 0069 PRO CG
C A 0068 ASN C 2.513 H A 0069 PRO CD
C A 0068 ASN CG 3.633 H A 0071 ALA CB
H A 0069 PRO C 2.503 H A 0070 LYS CA
H A 0069 PRO C 3.278 H A 0070 LYS C
H A 0069 PRO C 3.750 H A 0070 LYS CB
H A 0070 LYS C 2.489 H A 0071 ALA CA
H A 0070 LYS C 3.231 H A 0071 ALA C
H A 0070 LYS C 3.722 H A 0071 ALA CB
H A 0071 ALA C 2.509 H A 0072 VAL CA
H A 0071 ALA C 3.228 H A 0072 VAL C
H A 0071 ALA C 3.780 H A 0072 VAL CB
H A 0072 VAL C 2.492 C A 0073 VAL CA
H A 0072 VAL C 3.365 C A 0073 VAL C
H A 0072 VAL C 3.691 C A 0073 VAL CB
C A 0073 VAL C 2.489 C A 0074 LYS CA
C A 0073 VAL C 3.217 C A 0074 LYS C
C A 0073 VAL C 3.718 C A 0074 LYS CB
C A 0074 LYS C 2.492 C A 0075 GLY CA
C A 0074 LYS C 3.564 C A 0075 GLY C
C A 0075 GLY C 2.488 C A 0076 THR CA
C A 0075 GLY C 3.192 C A 0076 THR C
C A 0075 GLY C 3.783 C A 0076 THR CB
C A 0076 THR C 2.485 C A 0077 LYS CA
C A 0076 THR C 3.314 C A 0077 LYS C
C A 0076 THR C 3.718 C A 0077 LYS CB
C A 0077 LYS C 2.499 C A 0078 MET CA
C A 0077 LYS C 3.209 C A 0078 MET C
C A 0077 LYS C 3.745 C A 0078 MET CB
C A 0078 MET C 2.491 C A 0079 ALA CA
C A 0078 MET C 3.285 C A 0079 ALA C
C A 0078 MET C 3.676 C A 0079 ALA CB
C A 0079 ALA C 2.500 C A 0080 PHE CA
C A 0079 ALA C 3.603 C A 0080 PHE C
C A 0079 ALA C 3.421 C A 0080 PHE CB
C A 0080 PHE C 2.484 C A 0081 ALA CA
C A 0080 PHE C 3.206 C A 0081 ALA C
C A 0080 PHE C 3.714 C A 0081 ALA CB
C A 0080 PHE CE2 3.677 C A 0082 GLY CA
C A 0081 ALA C 2.480 C A 0082 GLY CA
C A 0081 ALA C 3.763 C A 0082 GLY C
C A 0082 GLY C 2.493 C A 0083 LEU CA
C A 0082 GLY C 3.437 C A 0083 LEU C
C A 0082 GLY C 3.634 C A 0083 LEU CB
C A 0083 LEU CA 3.053 C A 0084 PRO CD
C A 0083 LEU C 2.515 C A 0084 PRO CA
C A 0083 LEU C 3.307 C A 0084 PRO C
C A 0083 LEU C 3.674 C A 0084 PRO CB
C A 0083 LEU C 3.694 C A 0084 PRO CG
C A 0083 LEU C 2.516 C A 0084 PRO CD
C A 0083 LEU CB 3.713 H A 0089 ARG CG
C A 0083 LEU CD1 3.672 H A 0092 LEU CD2
C A 0084 PRO C 2.496 C A 0085 LYS CA
C A 0084 PRO C 3.275 C A 0085 LYS C
C A 0084 PRO C 3.735 C A 0085 LYS CB
C A 0085 LYS C 2.506 H A 0086 ILE CA
C A 0085 LYS C 3.172 H A 0086 ILE C
H A 0086 ILE C 2.499 H A 0087 GLU CA
H A 0086 ILE C 3.144 H A 0087 GLU C
H A 0086 ILE C 3.784 H A 0087 GLU CB
H A 0087 GLU C 2.501 H A 0088 ASP CA
H A 0087 GLU C 3.149 H A 0088 ASP C
H A 0087 GLU C 3.783 H A 0088 ASP CB
H A 0088 ASP C 2.500 H A 0089 ARG CA
H A 0088 ASP C 3.205 H A 0089 ARG C
H A 0088 ASP C 3.785 H A 0089 ARG CB
H A 0089 ARG C 2.505 H A 0090 ALA CA
H A 0089 ARG C 3.216 H A 0090 ALA C
H A 0089 ARG C 3.715 H A 0090 ALA CB
H A 0090 ALA C 2.504 H A 0091 ASN CA
H A 0090 ALA C 3.141 H A 0091 ASN C
H A 0090 ALA C 3.792 H A 0091 ASN CB
H A 0091 ASN C 2.509 H A 0092 LEU CA
H A 0091 ASN C 3.177 H A 0092 LEU C
H A 0091 ASN C 3.718 H A 0092 LEU CB
H A 0092 LEU C 2.511 H A 0093 ILE CA
H A 0092 LEU C 3.156 H A 0093 ILE C
H A 0093 ILE C 2.497 H A 0094 ALA CA
H A 0093 ILE C 3.165 H A 0094 ALA C
H A 0093 ILE C 3.751 H A 0094 ALA CB
H A 0094 ALA C 2.501 H A 0095 TYR CA
H A 0094 ALA C 3.210 H A 0095 TYR C
H A 0094 ALA C 3.746 H A 0095 TYR CB
H A 0095 TYR C 2.502 H A 0096 LEU CA
H A 0095 TYR C 3.237 H A 0096 LEU C
H A 0095 TYR C 3.747 H A 0096 LEU CB
H A 0096 LEU C 2.511 H A 0097 GLU CA
H A 0096 LEU C 3.244 H A 0097 GLU C
H A 0096 LEU C 3.788 H A 0097 GLU CB
H A 0097 GLU C 2.507 H A 0098 GLY CA
H A 0097 GLU C 3.172 H A 0098 GLY C
H A 0098 GLY C 2.478 C A 0099 GLN CA
H A 0098 GLY C 3.285 C A 0099 GLN C
H A 0098 GLY C 3.699 C A 0099 GLN CB
C A 0099 GLN C 2.478 C A 0100 GLN CA
C A 0099 GLN C 3.272 C A 0100 GLN C
C A 0099 GLN C 3.669 C A 0100 GLN CB
CHARGE_ATTR 2.00 12.00 80
C A 0003 ASP OD1 7.764 H A 0009 LYS NZ
C A 0003 ASP OD2 9.541 H A 0009 LYS NZ
H A 0008 GLU OE1 9.595 H A 0009 LYS NZ
H A 0008 GLU OE2 10.44 H A 0009 LYS NZ
H A 0008 GLU OE1 11.79 H A 0013 LYS NZ
H A 0008 GLU OE1 5.151 C A 0015 LYS NZ
H A 0008 GLU OE2 6.294 C A 0015 LYS NZ
H A 0008 GLU OE1 11.95 C A 0019 LYS NZ
C A 0021 ASP OD1 11.77 C A 0015 LYS NZ
C A 0021 ASP OD2 9.483 C A 0015 LYS NZ
C A 0021 ASP OD1 11.80 C A 0019 LYS NZ
C A 0021 ASP OD2 9.942 C A 0019 LYS NZ
C A 0021 ASP OD1 9.721 C A 0029 HIS ND1
C A 0021 ASP OD1 8.802 C A 0029 HIS NE2
C A 0021 ASP OD2 10.26 C A 0029 HIS ND1
C A 0021 ASP OD2 9.781 C A 0029 HIS NE2
C A 0021 ASP OD1 10.37 C A 0036 ARG NH1
C A 0021 ASP OD2 10.99 C A 0036 ARG NH1
C A 0024 ASP OD1 8.817 C A 0018 HIS ND1
C A 0024 ASP OD1 11.09 C A 0018 HIS NE2
C A 0024 ASP OD2 7.208 C A 0018 HIS ND1
C A 0024 ASP OD2 9.349 C A 0018 HIS NE2
C A 0024 ASP OD1 11.50 C A 0019 LYS NZ
C A 0024 ASP OD2 11.99 C A 0019 LYS NZ
C A 0024 ASP OD1 2.894 C A 0029 HIS ND1
C A 0024 ASP OD1 5.207 C A 0029 HIS NE2
C A 0024 ASP OD2 3.353 C A 0029 HIS ND1
C A 0024 ASP OD2 5.570 C A 0029 HIS NE2
C A 0024 ASP OD1 8.173 C A 0036 ARG NH1
C A 0024 ASP OD1 8.191 C A 0036 ARG NH2
C A 0024 ASP OD2 7.187 C A 0036 ARG NH1
C A 0024 ASP OD2 6.651 C A 0036 ARG NH2
C A 0024 ASP OD1 11.66 C A 0077 LYS NZ
C A 0024 ASP OD2 9.916 C A 0077 LYS NZ
C A 0042 ASP OD1 11.49 C A 0029 HIS ND1
C A 0042 ASP OD1 11.81 C A 0029 HIS NE2
C A 0042 ASP OD2 10.85 C A 0029 HIS ND1
C A 0042 ASP OD2 11.17 C A 0029 HIS NE2
C A 0042 ASP OD1 10.19 H A 0051 LYS NZ
C A 0042 ASP OD2 11.93 H A 0051 LYS NZ
H A 0048 ASP OD1 4.249 H A 0051 LYS NZ
H A 0048 ASP OD2 5.330 H A 0051 LYS NZ
H A 0048 ASP OD1 10.19 C A 0077 LYS NZ
H A 0048 ASP OD2 9.161 C A 0077 LYS NZ
C A 0056 ASP OD1 10.95 C A 0036 ARG NH1
C A 0056 ASP OD1 10.74 C A 0036 ARG NH2
C A 0056 ASP OD1 9.801 H A 0053 HIS ND1
C A 0056 ASP OD1 11.82 H A 0053 HIS NE2
C A 0056 ASP OD2 10.28 H A 0053 HIS ND1
H A 0060 GLU OE1 9.937 H A 0089 ARG NH1
H A 0060 GLU OE1 8.074 H A 0089 ARG NH2
H A 0060 GLU OE2 8.382 H A 0089 ARG NH1
H A 0060 GLU OE2 6.834 H A 0089 ARG NH2
H A 0064 GLU OE1 11.22 H A 0053 HIS NE2
H A 0064 GLU OE2 11.76 H A 0053 HIS ND1
H A 0064 GLU OE2 9.929 H A 0053 HIS NE2
H A 0064 GLU OE1 7.139 H A 0089 ARG NH1
H A 0064 GLU OE1 6.374 H A 0089 ARG NH2
H A 0064 GLU OE2 9.160 H A 0089 ARG NH1
H A 0064 GLU OE2 8.589 H A 0089 ARG NH2
H A 0087 GLU OE1 8.871 H A 0009 LYS NZ
H A 0087 GLU OE2 6.609 H A 0009 LYS NZ
H A 0087 GLU OE1 10.98 H A 0013 LYS NZ
H A 0087 GLU OE2 9.687 H A 0013 LYS NZ
H A 0087 GLU OE1 8.719 C A 0085 LYS NZ
H A 0087 GLU OE2 9.274 C A 0085 LYS NZ
H A 0087 GLU OE1 10.42 H A 0089 ARG NH1
H A 0087 GLU OE1 10.42 H A 0089 ARG NH2
H A 0087 GLU OE2 11.19 H A 0089 ARG NH1
H A 0087 GLU OE2 11.42 H A 0089 ARG NH2
H A 0088 ASP OD1 6.829 H A 0009 LYS NZ
H A 0088 ASP OD2 5.455 H A 0009 LYS NZ
H A 0088 ASP OD1 5.275 H A 0013 LYS NZ
H A 0088 ASP OD2 3.586 H A 0013 LYS NZ
H A 0088 ASP OD1 6.919 C A 0085 LYS NZ
H A 0088 ASP OD2 8.489 C A 0085 LYS NZ
H A 0088 ASP OD1 7.899 H A 0089 ARG NH1
H A 0088 ASP OD1 8.973 H A 0089 ARG NH2
H A 0088 ASP OD2 9.291 H A 0089 ARG NH1
H A 0088 ASP OD2 10.48 H A 0089 ARG NH2
CHARGE_REPU 2.00 12.00 48
C A 0003 ASP OD1 10.72 H A 0008 GLU OE1
C A 0003 ASP OD1 10.26 H A 0008 GLU OE2
C A 0003 ASP OD1 11.58 H A 0087 GLU OE1
C A 0003 ASP OD1 9.914 H A 0087 GLU OE2
C A 0003 ASP OD2 11.81 H A 0087 GLU OE1
C A 0003 ASP OD2 10.46 H A 0087 GLU OE2
C A 0003 ASP OD1 11.91 H A 0088 ASP OD1
C A 0003 ASP OD1 11.17 H A 0088 ASP OD2
H A 0008 GLU OE1 10.72 C A 0021 ASP OD2
H A 0008 GLU OE2 10.73 C A 0021 ASP OD2
H A 0009 LYS NZ 7.463 H A 0013 LYS NZ
H A 0013 LYS NZ 9.284 C A 0085 LYS NZ
H A 0013 LYS NZ 10.37 H A 0089 ARG NH1
C A 0015 LYS NZ 7.241 C A 0019 LYS NZ
C A 0018 HIS ND1 10.46 C A 0019 LYS NZ
C A 0018 HIS NE2 11.77 C A 0019 LYS NZ
C A 0018 HIS ND1 8.594 C A 0029 HIS ND1
C A 0018 HIS ND1 9.760 C A 0029 HIS NE2
C A 0018 HIS NE2 10.86 C A 0029 HIS ND1
C A 0018 HIS NE2 11.91 C A 0029 HIS NE2
C A 0018 HIS ND1 7.978 C A 0036 ARG NH1
C A 0018 HIS ND1 6.633 C A 0036 ARG NH2
C A 0018 HIS NE2 9.527 C A 0036 ARG NH1
C A 0018 HIS NE2 7.958 C A 0036 ARG NH2
C A 0018 HIS ND1 10.69 C A 0077 LYS NZ
C A 0018 HIS NE2 10.92 C A 0077 LYS NZ
C A 0021 ASP OD1 11.38 C A 0024 ASP OD1
C A 0021 ASP OD2 11.56 C A 0024 ASP OD1
C A 0024 ASP OD1 11.60 C A 0042 ASP OD1
C A 0024 ASP OD1 10.81 C A 0042 ASP OD2
C A 0024 ASP OD2 11.05 C A 0042 ASP OD1
C A 0024 ASP OD2 10.72 C A 0042 ASP OD2
C A 0029 HIS ND1 5.636 C A 0036 ARG NH1
C A 0029 HIS ND1 6.209 C A 0036 ARG NH2
C A 0029 HIS NE2 4.599 C A 0036 ARG NH1
C A 0029 HIS NE2 5.954 C A 0036 ARG NH2
H A 0051 LYS NZ 8.074 C A 0077 LYS NZ
H A 0060 GLU OE1 5.614 H A 0064 GLU OE1
H A 0060 GLU OE1 6.739 H A 0064 GLU OE2
H A 0060 GLU OE2 3.655 H A 0064 GLU OE1
H A 0060 GLU OE2 5.055 H A 0064 GLU OE2
H A 0070 LYS NZ 9.282 C A 0074 LYS NZ
C A 0085 LYS NZ 9.110 H A 0089 ARG NH1
C A 0085 LYS NZ 10.59 H A 0089 ARG NH2
H A 0087 GLU OE1 5.863 H A 0088 ASP OD1
H A 0087 GLU OE1 7.603 H A 0088 ASP OD2
H A 0087 GLU OE2 5.060 H A 0088 ASP OD1
H A 0087 GLU OE2 6.231 H A 0088 ASP OD2
HB_MM 2.00 3.20 144
C A 0002 ALA N 2.260 C A 0001 MET O
C A 0003 ASP N 2.250 C A 0002 ALA O
H A 0004 PRO N 2.252 C A 0003 ASP O
H A 0005 ALA N 2.250 H A 0004 PRO O
H A 0006 ALA N 2.254 H A 0005 ALA O
H A 0007 GLY N 3.060 C A 0003 ASP O
H A 0007 GLY N 2.241 H A 0006 ALA O
H A 0008 GLU N 3.110 H A 0004 PRO O
H A 0008 GLU N 2.254 H A 0007 GLY O
H A 0009 LYS N 2.258 H A 0008 GLU O
H A 0010 VAL N 2.255 H A 0009 LYS O
H A 0011 PHE N 2.839 H A 0007 GLY O
H A 0011 PHE N 2.250 H A 0010 VAL O
H A 0012 GLY N 2.238 H A 0011 PHE O
H A 0013 LYS N 2.253 H A 0012 GLY O
C A 0014 CYS N 2.873 H A 0011 PHE O
C A 0014 CYS N 2.253 H A 0013 LYS O
C A 0015 LYS N 2.917 H A 0011 PHE O
C A 0015 LYS N 2.266 C A 0014 CYS O
C A 0016 ALA N 2.254 C A 0015 LYS O
C A 0017 CYS N 3.163 C A 0014 CYS O
C A 0017 CYS N 2.256 C A 0016 ALA O
C A 0018 HIS N 2.947 C A 0014 CYS O
C A 0018 HIS N 2.263 C A 0017 CYS O
C A 0019 LYS N 2.249 C A 0018 HIS O
C A 0020 LEU N 2.250 C A 0019 LYS O
C A 0021 ASP N 2.252 C A 0020 LEU O
C A 0022 GLY N 3.038 C A 0020 LEU O
C A 0022 GLY N 2.265 C A 0021 ASP O
C A 0023 ASN N 3.117 C A 0021 ASP O
C A 0023 ASN N 2.249 C A 0022 GLY O
C A 0024 ASP N 2.252 C A 0023 ASN O
C A 0025 GLY N 2.257 C A 0024 ASP O
C A 0025 GLY N 3.072 C A 0027 GLY O
C A 0026 VAL N 3.152 C A 0017 CYS O
C A 0026 VAL N 2.257 C A 0025 GLY O
C A 0027 GLY N 3.035 C A 0017 CYS O
C A 0027 GLY N 2.258 C A 0026 VAL O
C A 0028 PRO N 2.252 C A 0027 GLY O
C A 0029 HIS N 2.237 C A 0028 PRO O
C A 0030 LEU N 2.248 C A 0029 HIS O
C A 0031 ASN N 2.250 C A 0030 LEU O
C A 0032 GLY N 2.252 C A 0031 ASN O
C A 0032 GLY N 2.957 C A 0099 GLN O
C A 0033 VAL N 2.259 C A 0032 GLY O
C A 0034 VAL N 2.245 C A 0033 VAL O
C A 0035 GLY N 2.257 C A 0034 VAL O
C A 0035 GLY N 2.821 C A 0057 TRP O
C A 0036 ARG N 3.009 C A 0033 VAL O
C A 0036 ARG N 2.247 C A 0035 GLY O
C A 0037 THR N 2.248 C A 0036 ARG O
C A 0038 VAL N 2.262 C A 0037 THR O
C A 0038 VAL N 3.015 C A 0055 GLY O
C A 0039 ALA N 2.265 C A 0038 VAL O
C A 0040 GLY N 3.151 C A 0037 THR O
C A 0040 GLY N 2.252 C A 0039 ALA O
C A 0041 VAL N 2.249 C A 0040 GLY O
C A 0042 ASP N 2.260 C A 0041 VAL O
C A 0043 GLY N 2.257 C A 0042 ASP O
C A 0044 PHE N 2.259 C A 0043 GLY O
C A 0045 ASN N 2.252 C A 0044 PHE O
C A 0046 TYR N 2.255 C A 0045 ASN O
C A 0047 SER N 2.244 C A 0046 TYR O
H A 0048 ASP N 2.249 C A 0047 SER O
H A 0049 PRO N 2.249 H A 0048 ASP O
H A 0050 MET N 2.248 H A 0049 PRO O
H A 0051 LYS N 2.912 C A 0047 SER O
H A 0051 LYS N 2.254 H A 0050 MET O
H A 0052 ALA N 2.908 H A 0048 ASP O
H A 0052 ALA N 2.250 H A 0051 LYS O
H A 0053 HIS N 3.138 H A 0049 PRO O
H A 0053 HIS N 2.249 H A 0052 ALA O
C A 0054 GLY N 2.259 H A 0053 HIS O
C A 0055 GLY N 2.250 C A 0054 GLY O
C A 0056 ASP N 2.254 C A 0055 GLY O
C A 0057 TRP N 2.758 C A 0036 ARG O
C A 0057 TRP N 2.257 C A 0056 ASP O
C A 0058 THR N 2.939 C A 0056 ASP O
C A 0058 THR N 2.250 C A 0057 TRP O
H A 0059 PRO N 2.241 C A 0058 THR O
H A 0060 GLU N 2.252 H A 0059 PRO O
H A 0061 ALA N 3.148 C A 0058 THR O
H A 0061 ALA N 2.252 H A 0060 GLU O
H A 0062 LEU N 2.885 C A 0058 THR O
H A 0062 LEU N 2.258 H A 0061 ALA O
H A 0063 GLN N 2.978 H A 0059 PRO O
H A 0063 GLN N 2.245 H A 0062 LEU O
H A 0064 GLU N 2.923 H A 0060 GLU O
H A 0064 GLU N 2.249 H A 0063 GLN O
H A 0065 PHE N 3.023 H A 0061 ALA O
H A 0065 PHE N 2.255 H A 0064 GLU O
H A 0066 LEU N 2.832 H A 0062 LEU O
H A 0066 LEU N 2.236 H A 0065 PHE O
H A 0067 THR N 3.023 H A 0063 GLN O
H A 0067 THR N 2.248 H A 0066 LEU O
C A 0068 ASN N 2.253 H A 0067 THR O
H A 0069 PRO N 3.048 H A 0065 PHE O
H A 0069 PRO N 2.251 C A 0068 ASN O
H A 0070 LYS N 2.258 H A 0069 PRO O
H A 0071 ALA N 2.245 H A 0070 LYS O
H A 0072 VAL N 2.256 H A 0071 ALA O
C A 0073 VAL N 2.924 H A 0069 PRO O
C A 0073 VAL N 2.254 H A 0072 VAL O
C A 0074 LYS N 2.258 C A 0073 VAL O
C A 0075 GLY N 3.120 C A 0073 VAL O
C A 0075 GLY N 2.260 C A 0074 LYS O
C A 0076 THR N 2.248 C A 0075 GLY O
C A 0077 LYS N 2.250 C A 0076 THR O
C A 0078 MET N 2.248 C A 0077 LYS O
C A 0079 ALA N 3.098 C A 0077 LYS O
C A 0079 ALA N 2.262 C A 0078 MET O
C A 0080 PHE N 2.967 C A 0078 MET O
C A 0080 PHE N 2.255 C A 0079 ALA O
C A 0081 ALA N 2.250 C A 0080 PHE O
C A 0082 GLY N 2.258 C A 0081 ALA O
C A 0083 LEU N 2.760 H A 0066 LEU O
C A 0083 LEU N 2.254 C A 0082 GLY O
C A 0084 PRO N 2.249 C A 0083 LEU O
C A 0085 LYS N 2.251 C A 0084 PRO O
H A 0086 ILE N 2.260 C A 0085 LYS O
H A 0087 GLU N 2.254 H A 0086 ILE O
H A 0088 ASP N 2.245 H A 0087 GLU O
H A 0089 ARG N 2.256 H A 0088 ASP O
H A 0090 ALA N 2.801 H A 0086 ILE O
H A 0090 ALA N 2.251 H A 0089 ARG O
H A 0091 ASN N 2.866 H A 0087 GLU O
H A 0091 ASN N 2.256 H A 0090 ALA O
H A 0092 LEU N 3.148 H A 0088 ASP O
H A 0092 LEU N 2.255 H A 0091 ASN O
H A 0093 ILE N 2.862 H A 0089 ARG O
H A 0093 ILE N 2.251 H A 0092 LEU O
H A 0094 ALA N 3.004 H A 0090 ALA O
H A 0094 ALA N 2.249 H A 0093 ILE O
H A 0095 TYR N 3.055 H A 0091 ASN O
H A 0095 TYR N 2.248 H A 0094 ALA O
H A 0096 LEU N 2.892 H A 0092 LEU O
H A 0096 LEU N 2.248 H A 0095 TYR O
H A 0097 GLU N 2.891 H A 0093 ILE O
H A 0097 GLU N 2.247 H A 0096 LEU O
H A 0098 GLY N 2.888 H A 0094 ALA O
H A 0098 GLY N 2.252 H A 0097 GLU O
C A 0099 GLN N 2.866 H A 0095 TYR O
C A 0099 GLN N 2.257 H A 0098 GLY O
C A 0100 GLN N 2.262 C A 0099 GLN O
HB_MS 2.00 3.20 17
C A 0003 ASP N 2.781 H A 0091 ASN OD1
H A 0006 ALA N 2.974 C A 0003 ASP OD1
C A 0020 LEU O 3.142 C A 0031 ASN ND2
C A 0021 ASP O 3.045 C A 0023 ASN ND2
C A 0028 PRO O 2.746 C A 0018 HIS ND1
C A 0029 HIS N 2.975 C A 0024 ASP OD2
C A 0029 HIS O 2.761 C A 0036 ARG NH1
C A 0029 HIS O 3.005 C A 0036 ARG NH2
C A 0031 ASN O 3.092 C A 0036 ARG NH1
C A 0045 ASN O 2.856 C A 0077 LYS NZ
H A 0048 ASP N 3.157 C A 0047 SER OG
H A 0063 GLN O 2.483 H A 0067 THR OG1
H A 0071 ALA N 3.078 C A 0068 ASN OD1
C A 0075 GLY O 2.582 C A 0047 SER OG
C A 0083 LEU O 2.844 H A 0089 ARG NH1
C A 0084 PRO O 2.906 H A 0089 ARG NH1
H A 0087 GLU O 3.143 H A 0091 ASN ND2
HB_SS 2.00 3.20 3
C A 0056 ASP OD1 2.708 C A 0037 THR OG1
H A 0089 ARG NH2 2.930 H A 0063 GLN OE1
H A 0089 ARG NH1 3.180 H A 0067 THR OG1
AROMATIC 0.00 8.00 6
H A 0013 LYS 7.627 C A 0080 PHE
C A 0015 LYS 7.868 H A 0011 PHE
C A 0036 ARG 6.966 C A 0046 TYR
C A 0044 PHE 5.096 C A 0046 TYR
C A 0036 ARG 7.659 C A 0018 HIS
C A 0036 ARG 4.776 C A 0029 HIS