Complet list of 1hbw con file
Complete list of 1hbw.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 222
C A 0050 THR C 2.433 C A 0051 ARG CA
C A 0050 THR C 3.177 C A 0051 ARG C
C A 0050 THR C 3.680 C A 0051 ARG CB
C A 0051 ARG C 2.434 C A 0052 ALA CA
C A 0051 ARG C 3.721 C A 0052 ALA C
C A 0051 ARG C 2.982 C A 0052 ALA CB
C A 0052 ALA C 2.440 C A 0053 HIS CA
C A 0052 ALA C 3.057 C A 0053 HIS C
C A 0052 ALA C 2.976 C A 0053 HIS CB
C A 0052 ALA C 3.548 C A 0053 HIS CG
C A 0053 HIS CA 3.778 C A 0054 LEU CD1
C A 0053 HIS C 2.440 C A 0054 LEU CA
C A 0053 HIS C 3.044 C A 0054 LEU C
C A 0053 HIS C 2.989 C A 0054 LEU CB
C A 0053 HIS C 3.651 C A 0054 LEU CG
C A 0053 HIS C 3.124 C A 0054 LEU CD1
C A 0053 HIS CB 3.252 C A 0054 LEU CD1
C A 0054 LEU C 2.475 H A 0055 THR CA
C A 0054 LEU C 2.884 H A 0055 THR C
C A 0054 LEU C 3.329 H A 0055 THR CB
C A 0054 LEU CA 3.562 H A 0058 GLU CB
C A 0054 LEU C 3.463 H A 0058 GLU CB
C A 0054 LEU C 3.742 H A 0058 GLU CG
H A 0055 THR C 2.435 H A 0056 GLU CA
H A 0055 THR C 3.056 H A 0056 GLU C
H A 0055 THR C 3.711 H A 0056 GLU CB
H A 0055 THR CA 3.723 H A 0058 GLU CG
H A 0055 THR CA 3.756 H A 0058 GLU CD
H A 0055 THR C 3.735 H A 0058 GLU CG
H A 0056 GLU C 2.428 H A 0057 VAL CA
H A 0056 GLU C 2.970 H A 0057 VAL C
H A 0056 GLU C 3.740 H A 0057 VAL CB
H A 0057 VAL C 2.428 H A 0058 GLU CA
H A 0057 VAL C 2.919 H A 0058 GLU C
H A 0057 VAL C 3.728 H A 0058 GLU CB
H A 0057 VAL CA 3.561 H A 0060 ARG CB
H A 0057 VAL C 3.436 H A 0060 ARG CB
H A 0058 GLU CA 3.782 H A 0059 SER CA
H A 0058 GLU C 2.418 H A 0059 SER CA
H A 0058 GLU C 2.995 H A 0059 SER C
H A 0058 GLU C 3.703 H A 0059 SER CB
H A 0058 GLU C 3.758 H A 0062 GLU CB
H A 0059 SER C 2.442 H A 0060 ARG CA
H A 0059 SER C 3.137 H A 0060 ARG C
H A 0059 SER C 3.699 H A 0060 ARG CB
H A 0060 ARG CA 3.787 H A 0061 LEU CA
H A 0060 ARG C 2.408 H A 0061 LEU CA
H A 0060 ARG C 2.968 H A 0061 LEU C
H A 0060 ARG C 3.696 H A 0061 LEU CB
H A 0060 ARG CD 3.608 H A 0061 LEU CD2
H A 0060 ARG CZ 3.549 H A 0061 LEU CD2
H A 0061 LEU CA 3.779 H A 0062 GLU CA
H A 0061 LEU C 2.417 H A 0062 GLU CA
H A 0061 LEU C 3.003 H A 0062 GLU C
H A 0061 LEU C 3.700 H A 0062 GLU CB
H A 0062 GLU CA 3.796 H A 0063 ARG CA
H A 0062 GLU C 2.433 H A 0063 ARG CA
H A 0062 GLU C 2.997 H A 0063 ARG C
H A 0062 GLU C 3.722 H A 0063 ARG CB
H A 0063 ARG CA 3.795 H A 0064 LEU CA
H A 0063 ARG C 2.434 H A 0064 LEU CA
H A 0063 ARG C 3.082 H A 0064 LEU C
H A 0063 ARG C 3.704 H A 0064 LEU CB
H A 0064 LEU CA 3.785 H A 0065 GLU CA
H A 0064 LEU C 2.434 H A 0065 GLU CA
H A 0064 LEU C 3.100 H A 0065 GLU C
H A 0064 LEU C 3.697 H A 0065 GLU CB
H A 0065 GLU CA 3.800 H A 0066 GLN CA
H A 0065 GLU C 2.435 H A 0066 GLN CA
H A 0065 GLU C 3.161 H A 0066 GLN C
H A 0065 GLU C 3.689 H A 0066 GLN CB
H A 0066 GLN C 2.436 C A 0067 LEU CA
H A 0066 GLN C 3.202 C A 0067 LEU C
H A 0066 GLN C 3.674 C A 0067 LEU CB
H A 0066 GLN C 3.384 C A 0068 PHE CD1
H A 0066 GLN C 3.574 C A 0068 PHE CE1
C A 0067 LEU C 2.437 C A 0068 PHE CA
C A 0067 LEU C 3.032 C A 0068 PHE C
C A 0067 LEU C 2.981 C A 0068 PHE CB
C A 0067 LEU C 3.528 C A 0068 PHE CG
C A 0067 LEU C 3.270 C A 0068 PHE CD1
C A 0068 PHE C 2.434 C A 0069 LEU CA
C A 0068 PHE C 3.559 C A 0069 LEU C
C A 0068 PHE C 3.402 C A 0069 LEU CB
C A 0068 PHE CD2 3.565 C A 0071 ILE CD1
C A 0069 LEU C 2.433 C A 0070 LEU CA
C A 0069 LEU C 3.527 C A 0070 LEU C
C A 0069 LEU C 3.439 C A 0070 LEU CB
C A 0069 LEU C 3.653 C A 0070 LEU CG
C A 0070 LEU C 2.434 C A 0071 ILE CA
C A 0070 LEU C 3.549 C A 0071 ILE C
C A 0070 LEU C 3.440 C A 0071 ILE CB
C A 0070 LEU C 3.364 C A 0071 ILE CG1
C A 0071 ILE C 2.435 C A 0072 PHE CA
C A 0071 ILE C 3.452 C A 0072 PHE C
C A 0071 ILE C 3.520 C A 0072 PHE CB
C A 0072 PHE CA 2.922 C A 0073 PRO CD
C A 0072 PHE C 2.466 C A 0073 PRO CA
C A 0072 PHE C 3.103 C A 0073 PRO C
C A 0072 PHE C 3.658 C A 0073 PRO CB
C A 0072 PHE C 3.637 C A 0073 PRO CG
C A 0072 PHE C 2.510 C A 0073 PRO CD
C A 0073 PRO C 2.433 C A 0074 ARG CA
C A 0073 PRO C 3.715 C A 0074 ARG C
C A 0073 PRO C 2.991 C A 0074 ARG CB
C A 0073 PRO C 3.295 C A 0074 ARG CG
C A 0074 ARG C 2.434 C A 0075 GLU CA
C A 0074 ARG C 3.719 C A 0075 GLU C
C A 0074 ARG C 3.005 C A 0075 GLU CB
C A 0074 ARG C 3.598 C A 0075 GLU CG
C A 0075 GLU C 2.435 C A 0076 ASP CA
C A 0075 GLU C 3.692 C A 0076 ASP C
C A 0075 GLU C 3.152 C A 0076 ASP CB
C A 0075 GLU C 3.150 C A 0076 ASP CG
C A 0076 ASP C 2.444 C A 0077 LEU CA
C A 0076 ASP C 3.144 C A 0077 LEU C
C A 0076 ASP C 2.911 C A 0077 LEU CB
C A 0076 ASP C 3.122 C A 0077 LEU CG
C A 0076 ASP C 3.627 C A 0077 LEU CD1
C A 0077 LEU C 2.435 H A 0078 ASP CA
C A 0077 LEU C 3.575 H A 0078 ASP C
C A 0077 LEU C 3.390 H A 0078 ASP CB
H A 0078 ASP C 2.437 H A 0079 MET CA
H A 0078 ASP C 2.986 H A 0079 MET C
H A 0078 ASP C 3.717 H A 0079 MET CB
H A 0078 ASP CA 3.749 H A 0081 LEU CD2
H A 0079 MET C 2.433 H A 0080 ILE CA
H A 0079 MET C 3.044 H A 0080 ILE C
H A 0079 MET C 3.735 H A 0080 ILE CB
H A 0080 ILE C 2.434 H A 0081 LEU CA
H A 0080 ILE C 3.024 H A 0081 LEU C
H A 0080 ILE C 3.714 H A 0081 LEU CB
H A 0081 LEU C 2.435 H A 0082 LYS CA
H A 0081 LEU C 3.171 H A 0082 LYS C
H A 0081 LEU C 3.683 H A 0082 LYS CB
H A 0082 LYS C 2.434 H A 0083 MET CA
H A 0082 LYS C 3.250 H A 0083 MET C
H A 0082 LYS C 3.651 H A 0083 MET CB
H A 0083 MET C 2.435 H A 0084 ASP CA
H A 0083 MET C 3.291 H A 0084 ASP C
H A 0083 MET C 3.629 H A 0084 ASP CB
H A 0084 ASP C 2.435 C A 0085 SER CA
H A 0084 ASP C 3.249 C A 0085 SER C
H A 0084 ASP C 3.653 C A 0085 SER CB
C A 0085 SER C 2.434 C A 0086 LEU CA
C A 0085 SER C 3.299 C A 0086 LEU C
C A 0085 SER C 3.629 C A 0086 LEU CB
C A 0086 LEU C 2.435 H A 0087 ARG CA
C A 0086 LEU C 2.992 H A 0087 ARG C
C A 0086 LEU C 3.013 H A 0087 ARG CB
C A 0086 LEU C 3.350 H A 0087 ARG CG
H A 0087 ARG C 2.435 H A 0088 ASP CA
H A 0087 ARG C 3.117 H A 0088 ASP C
H A 0087 ARG C 3.699 H A 0088 ASP CB
H A 0088 ASP C 2.438 H A 0089 ILE CA
H A 0088 ASP C 3.251 H A 0089 ILE C
H A 0088 ASP C 3.669 H A 0089 ILE CB
H A 0088 ASP C 3.584 H A 0089 ILE CD1
H A 0089 ILE CA 3.775 H A 0090 GLU CA
H A 0089 ILE C 2.422 H A 0090 GLU CA
H A 0089 ILE C 2.988 H A 0090 GLU C
H A 0089 ILE C 3.704 H A 0090 GLU CB
H A 0090 GLU C 2.442 H A 0091 ALA CA
H A 0090 GLU C 3.240 H A 0091 ALA C
H A 0090 GLU C 3.649 H A 0091 ALA CB
H A 0091 ALA C 2.430 H A 0092 LEU CA
H A 0091 ALA C 2.943 H A 0092 LEU C
H A 0091 ALA C 3.719 H A 0092 LEU CB
H A 0092 LEU CA 3.797 H A 0093 LEU CA
H A 0092 LEU C 2.435 H A 0093 LEU CA
H A 0092 LEU C 3.279 H A 0093 LEU C
H A 0092 LEU C 3.634 H A 0093 LEU CB
H A 0093 LEU CA 3.800 H A 0094 THR CA
H A 0093 LEU C 2.428 H A 0094 THR CA
H A 0093 LEU C 3.041 H A 0094 THR C
H A 0093 LEU C 3.714 H A 0094 THR CB
H A 0093 LEU CG 3.496 C A 0098 VAL CB
H A 0093 LEU CG 3.554 C A 0098 VAL CG2
H A 0093 LEU CD2 3.747 C A 0098 VAL CA
H A 0093 LEU CD2 3.593 C A 0098 VAL CB
H A 0094 THR C 2.418 H A 0095 GLY CA
H A 0094 THR C 3.530 H A 0095 GLY C
H A 0095 GLY C 2.432 H A 0096 LEU CA
H A 0095 GLY C 3.340 H A 0096 LEU C
H A 0095 GLY C 3.608 H A 0096 LEU CB
H A 0096 LEU CA 3.712 H A 0097 PHE CD1
H A 0096 LEU C 2.444 H A 0097 PHE CA
H A 0096 LEU C 2.881 H A 0097 PHE C
H A 0096 LEU C 3.205 H A 0097 PHE CB
H A 0096 LEU C 3.008 H A 0097 PHE CG
H A 0096 LEU C 2.987 H A 0097 PHE CD1
H A 0096 LEU C 3.742 H A 0097 PHE CD2
H A 0096 LEU C 3.708 H A 0097 PHE CE1
H A 0097 PHE C 2.431 C A 0098 VAL CA
H A 0097 PHE C 3.096 C A 0098 VAL C
H A 0097 PHE C 3.723 C A 0098 VAL CB
C A 0098 VAL C 2.433 C A 0099 GLN CA
C A 0098 VAL C 3.676 C A 0099 GLN C
C A 0098 VAL C 3.193 C A 0099 GLN CB
C A 0099 GLN C 2.434 C A 0100 ASP CA
C A 0099 GLN C 3.716 C A 0100 ASP C
C A 0099 GLN C 2.995 C A 0100 ASP CB
C A 0100 ASP C 2.434 C A 0101 ASN CA
C A 0100 ASP C 3.302 C A 0101 ASN C
C A 0100 ASP C 3.622 C A 0101 ASN CB
C A 0101 ASN C 2.434 C A 0102 VAL CA
C A 0101 ASN C 3.656 C A 0102 VAL C
C A 0101 ASN C 3.272 C A 0102 VAL CB
C A 0101 ASN C 3.254 C A 0102 VAL CG1
C A 0102 VAL C 2.436 C A 0103 ASN CA
C A 0102 VAL C 3.038 C A 0103 ASN C
C A 0102 VAL C 2.970 C A 0103 ASN CB
C A 0102 VAL C 3.388 C A 0103 ASN CG
C A 0103 ASN C 2.435 C A 0104 LYS CA
C A 0103 ASN C 3.536 C A 0104 LYS C
C A 0103 ASN C 3.429 C A 0104 LYS CB
C A 0104 LYS C 2.435 C A 0105 ASP CA
C A 0104 LYS C 3.009 C A 0105 ASP C
C A 0104 LYS C 2.997 C A 0105 ASP CB
C A 0105 ASP C 2.435 C A 0106 ALA CA
C A 0105 ASP C 3.404 C A 0106 ALA C
C A 0105 ASP C 3.546 C A 0106 ALA CB
CHARGE_ATTR 2.00 12.00 49
H A 0056 GLU OE1 11.82 C A 0051 ARG NH1
H A 0056 GLU OE2 11.16 C A 0051 ARG NH1
H A 0056 GLU OE1 11.50 C A 0053 HIS ND1
H A 0056 GLU OE1 8.646 H A 0060 ARG NH1
H A 0056 GLU OE1 10.12 H A 0060 ARG NH2
H A 0056 GLU OE2 10.43 H A 0060 ARG NH1
H A 0056 GLU OE2 11.64 H A 0060 ARG NH2
H A 0056 GLU OE1 9.806 H A 0063 ARG NH1
H A 0056 GLU OE1 7.981 H A 0063 ARG NH2
H A 0056 GLU OE2 9.329 H A 0063 ARG NH1
H A 0056 GLU OE2 7.773 H A 0063 ARG NH2
H A 0058 GLU OE1 10.31 C A 0051 ARG NH1
H A 0058 GLU OE1 10.88 C A 0051 ARG NH2
H A 0058 GLU OE2 10.66 C A 0051 ARG NH1
H A 0058 GLU OE2 11.23 C A 0051 ARG NH2
H A 0058 GLU OE1 9.911 C A 0053 HIS ND1
H A 0058 GLU OE1 11.54 C A 0053 HIS NE2
H A 0058 GLU OE2 11.85 C A 0053 HIS ND1
H A 0062 GLU OE1 10.66 H A 0063 ARG NH1
H A 0062 GLU OE1 11.31 H A 0063 ARG NH2
H A 0062 GLU OE2 9.262 H A 0063 ARG NH1
H A 0062 GLU OE2 10.28 H A 0063 ARG NH2
H A 0065 GLU OE1 11.73 H A 0063 ARG NH1
C A 0075 GLU OE1 8.671 C A 0074 ARG NH1
C A 0075 GLU OE1 7.645 C A 0074 ARG NH2
C A 0075 GLU OE2 8.445 C A 0074 ARG NH1
C A 0075 GLU OE2 7.745 C A 0074 ARG NH2
C A 0075 GLU OE2 11.40 H A 0082 LYS NZ
C A 0076 ASP OD1 9.261 C A 0074 ARG NH1
C A 0076 ASP OD1 9.599 C A 0074 ARG NH2
C A 0076 ASP OD2 8.182 C A 0074 ARG NH1
C A 0076 ASP OD2 9.006 C A 0074 ARG NH2
C A 0076 ASP OD1 7.947 H A 0082 LYS NZ
C A 0076 ASP OD2 9.227 H A 0082 LYS NZ
H A 0078 ASP OD1 3.072 H A 0082 LYS NZ
H A 0078 ASP OD2 4.693 H A 0082 LYS NZ
H A 0078 ASP OD1 8.852 H A 0087 ARG NH1
H A 0078 ASP OD1 6.697 H A 0087 ARG NH2
H A 0078 ASP OD2 10.83 H A 0087 ARG NH1
H A 0078 ASP OD2 8.618 H A 0087 ARG NH2
H A 0088 ASP OD1 11.28 H A 0087 ARG NH1
H A 0090 GLU OE1 8.811 H A 0082 LYS NZ
H A 0090 GLU OE2 10.96 H A 0082 LYS NZ
H A 0090 GLU OE1 5.684 H A 0087 ARG NH1
H A 0090 GLU OE1 5.359 H A 0087 ARG NH2
H A 0090 GLU OE2 7.007 H A 0087 ARG NH1
H A 0090 GLU OE2 7.206 H A 0087 ARG NH2
C A 0105 ASP OD1 8.115 C A 0104 LYS NZ
C A 0105 ASP OD2 8.043 C A 0104 LYS NZ
CHARGE_REPU 2.00 12.00 45
C A 0051 ARG NH1 11.88 C A 0053 HIS ND1
C A 0053 HIS ND1 11.68 H A 0060 ARG NH1
H A 0056 GLU OE1 10.71 H A 0058 GLU OE1
H A 0056 GLU OE1 10.62 H A 0058 GLU OE2
H A 0056 GLU OE2 10.32 H A 0058 GLU OE1
H A 0056 GLU OE2 9.816 H A 0058 GLU OE2
H A 0056 GLU OE1 11.56 H A 0062 GLU OE1
H A 0056 GLU OE2 10.76 H A 0062 GLU OE1
H A 0056 GLU OE2 11.19 H A 0062 GLU OE2
H A 0058 GLU OE1 6.305 H A 0062 GLU OE1
H A 0058 GLU OE1 8.439 H A 0062 GLU OE2
H A 0058 GLU OE2 4.884 H A 0062 GLU OE1
H A 0058 GLU OE2 6.954 H A 0062 GLU OE2
H A 0058 GLU OE1 11.94 H A 0065 GLU OE2
H A 0058 GLU OE2 11.27 H A 0065 GLU OE2
H A 0060 ARG NH1 11.12 H A 0063 ARG NH1
H A 0060 ARG NH1 9.710 H A 0063 ARG NH2
H A 0060 ARG NH2 10.54 H A 0063 ARG NH1
H A 0060 ARG NH2 9.514 H A 0063 ARG NH2
H A 0062 GLU OE1 7.764 H A 0065 GLU OE1
H A 0062 GLU OE1 7.021 H A 0065 GLU OE2
H A 0062 GLU OE2 6.448 H A 0065 GLU OE1
H A 0062 GLU OE2 6.291 H A 0065 GLU OE2
C A 0075 GLU OE1 6.682 C A 0076 ASP OD1
C A 0075 GLU OE1 7.483 C A 0076 ASP OD2
C A 0075 GLU OE2 4.631 C A 0076 ASP OD1
C A 0075 GLU OE2 5.734 C A 0076 ASP OD2
C A 0075 GLU OE2 11.52 H A 0078 ASP OD1
C A 0075 GLU OE2 11.07 H A 0078 ASP OD2
C A 0076 ASP OD1 8.192 H A 0078 ASP OD1
C A 0076 ASP OD1 8.506 H A 0078 ASP OD2
C A 0076 ASP OD2 9.122 H A 0078 ASP OD1
C A 0076 ASP OD2 9.566 H A 0078 ASP OD2
C A 0076 ASP OD2 11.94 H A 0084 ASP OD2
H A 0078 ASP OD1 10.58 H A 0084 ASP OD2
H A 0078 ASP OD2 11.54 H A 0084 ASP OD2
H A 0078 ASP OD1 9.213 H A 0090 GLU OE1
H A 0078 ASP OD1 11.40 H A 0090 GLU OE2
H A 0078 ASP OD2 10.38 H A 0090 GLU OE1
H A 0082 LYS NZ 7.277 H A 0087 ARG NH1
H A 0082 LYS NZ 5.090 H A 0087 ARG NH2
H A 0088 ASP OD1 10.10 H A 0090 GLU OE1
H A 0088 ASP OD1 9.396 H A 0090 GLU OE2
H A 0088 ASP OD2 11.44 H A 0090 GLU OE1
H A 0088 ASP OD2 10.77 H A 0090 GLU OE2
HB_MM 2.00 3.20 94
C A 0051 ARG N 2.251 C A 0050 THR O
C A 0052 ALA N 2.249 C A 0051 ARG O
C A 0053 HIS N 2.253 C A 0052 ALA O
C A 0054 LEU N 2.252 C A 0053 HIS O
H A 0055 THR N 2.263 C A 0054 LEU O
H A 0056 GLU N 2.449 C A 0054 LEU O
H A 0056 GLU N 2.250 H A 0055 THR O
H A 0057 VAL N 2.717 C A 0054 LEU O
H A 0057 VAL N 2.246 H A 0056 GLU O
H A 0058 GLU N 3.021 C A 0054 LEU O
H A 0058 GLU N 2.256 H A 0057 VAL O
H A 0059 SER N 2.977 H A 0055 THR O
H A 0059 SER N 3.067 H A 0056 GLU O
H A 0059 SER N 2.241 H A 0058 GLU O
H A 0060 ARG N 2.834 H A 0056 GLU O
H A 0060 ARG N 2.641 H A 0057 VAL O
H A 0060 ARG N 3.043 H A 0058 GLU O
H A 0060 ARG N 2.254 H A 0059 SER O
H A 0061 LEU N 2.986 H A 0057 VAL O
H A 0061 LEU N 2.251 H A 0060 ARG O
H A 0062 GLU N 2.934 H A 0058 GLU O
H A 0062 GLU N 3.098 H A 0060 ARG O
H A 0062 GLU N 2.250 H A 0061 LEU O
H A 0063 ARG N 2.873 H A 0059 SER O
H A 0063 ARG N 2.803 H A 0060 ARG O
H A 0063 ARG N 2.264 H A 0062 GLU O
H A 0064 LEU N 2.941 H A 0060 ARG O
H A 0064 LEU N 3.097 H A 0061 LEU O
H A 0064 LEU N 2.257 H A 0063 ARG O
H A 0065 GLU N 2.890 H A 0061 LEU O
H A 0065 GLU N 2.925 H A 0062 GLU O
H A 0065 GLU N 2.250 H A 0064 LEU O
H A 0066 GLN N 2.940 H A 0062 GLU O
H A 0066 GLN N 2.254 H A 0065 GLU O
C A 0067 LEU N 3.122 H A 0063 ARG O
C A 0067 LEU N 2.252 H A 0066 GLN O
C A 0068 PHE N 2.252 C A 0067 LEU O
C A 0069 LEU N 2.251 C A 0068 PHE O
C A 0070 LEU N 2.250 C A 0069 LEU O
C A 0071 ILE N 2.249 C A 0070 LEU O
C A 0072 PHE N 2.251 C A 0071 ILE O
C A 0073 PRO N 2.253 C A 0072 PHE O
C A 0074 ARG N 2.249 C A 0073 PRO O
C A 0075 GLU N 2.250 C A 0074 ARG O
C A 0076 ASP N 2.252 C A 0075 GLU O
C A 0077 LEU N 2.251 C A 0076 ASP O
H A 0078 ASP N 2.249 C A 0077 LEU O
H A 0079 MET N 2.249 H A 0078 ASP O
H A 0080 ILE N 3.042 H A 0078 ASP O
H A 0080 ILE N 2.250 H A 0079 MET O
H A 0081 LEU N 2.250 H A 0080 ILE O
H A 0082 LYS N 2.910 H A 0078 ASP O
H A 0082 LYS N 3.045 H A 0080 ILE O
H A 0082 LYS N 2.250 H A 0081 LEU O
H A 0083 MET N 2.905 H A 0079 MET O
H A 0083 MET N 2.994 H A 0080 ILE O
H A 0083 MET N 2.251 H A 0082 LYS O
H A 0084 ASP N 2.915 H A 0080 ILE O
H A 0084 ASP N 2.251 H A 0083 MET O
C A 0085 SER N 2.913 H A 0081 LEU O
C A 0085 SER N 2.251 H A 0084 ASP O
C A 0086 LEU N 2.250 C A 0085 SER O
H A 0087 ARG N 2.251 C A 0086 LEU O
H A 0088 ASP N 3.004 C A 0086 LEU O
H A 0088 ASP N 2.247 H A 0087 ARG O
H A 0089 ILE N 2.255 H A 0088 ASP O
H A 0090 GLU N 2.252 H A 0089 ILE O
H A 0091 ALA N 2.859 H A 0087 ARG O
H A 0091 ALA N 3.102 H A 0089 ILE O
H A 0091 ALA N 2.256 H A 0090 GLU O
H A 0092 LEU N 2.957 H A 0088 ASP O
H A 0092 LEU N 2.251 H A 0091 ALA O
H A 0093 LEU N 2.917 H A 0089 ILE O
H A 0093 LEU N 2.941 H A 0091 ALA O
H A 0093 LEU N 2.256 H A 0092 LEU O
H A 0094 THR N 2.902 H A 0090 GLU O
H A 0094 THR N 2.949 H A 0091 ALA O
H A 0094 THR N 2.248 H A 0093 LEU O
H A 0095 GLY N 2.880 H A 0091 ALA O
H A 0095 GLY N 3.072 H A 0093 LEU O
H A 0095 GLY N 2.250 H A 0094 THR O
H A 0096 LEU N 2.912 H A 0092 LEU O
H A 0096 LEU N 2.250 H A 0095 GLY O
H A 0097 PHE N 2.866 H A 0093 LEU O
H A 0097 PHE N 2.249 H A 0096 LEU O
C A 0098 VAL N 2.250 H A 0097 PHE O
C A 0099 GLN N 2.251 C A 0098 VAL O
C A 0100 ASP N 2.250 C A 0099 GLN O
C A 0101 ASN N 2.250 C A 0100 ASP O
C A 0102 VAL N 2.250 C A 0101 ASN O
C A 0103 ASN N 2.251 C A 0102 VAL O
C A 0104 LYS N 2.249 C A 0103 ASN O
C A 0105 ASP N 2.251 C A 0104 LYS O
C A 0106 ALA N 2.249 C A 0105 ASP O
HB_MS 2.00 3.20 5
H A 0055 THR N 3.161 H A 0058 GLU OE1
H A 0066 GLN N 3.151 H A 0065 GLU OE1
H A 0081 LEU O 2.491 C A 0085 SER OG
H A 0090 GLU O 2.414 H A 0094 THR OG1
C A 0101 ASN N 3.072 C A 0100 ASP OD1
HB_SS 2.00 3.20 1
C A 0103 ASN ND2 3.177 C A 0101 ASN OD1
AROMATIC 0.00 8.00 1
C A 0068 PHE 5.444 C A 0072 PHE
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 59
C A 0052 ALA CB 3.267 C B 0053 HIS CE1
C A 0053 HIS CE1 3.255 C B 0052 ALA CB
C A 0053 HIS CA 3.776 H B 0057 VAL CG2
C A 0053 HIS CB 3.702 H B 0057 VAL CG2
C A 0054 LEU CA 3.713 H B 0057 VAL CG1
H A 0057 VAL CG2 3.770 C B 0053 HIS CA
H A 0057 VAL CG2 3.696 C B 0053 HIS CB
H A 0057 VAL CG1 3.712 C B 0054 LEU CA
H A 0057 VAL C 3.760 H B 0057 VAL CG1
H A 0057 VAL CB 3.575 H B 0057 VAL CB
H A 0057 VAL CB 3.304 H B 0057 VAL CG1
H A 0057 VAL CG1 3.767 H B 0057 VAL C
H A 0057 VAL CG1 3.302 H B 0057 VAL CB
H A 0057 VAL CG1 3.327 H B 0057 VAL CG1
H A 0058 GLU CA 3.465 H B 0061 LEU CG
H A 0058 GLU CA 3.369 H B 0061 LEU CD2
H A 0058 GLU C 3.557 H B 0061 LEU CG
H A 0058 GLU CB 3.495 H B 0061 LEU CD2
H A 0061 LEU CG 3.458 H B 0058 GLU CA
H A 0061 LEU CG 3.559 H B 0058 GLU C
H A 0061 LEU CD2 3.370 H B 0058 GLU CA
H A 0061 LEU CD2 3.496 H B 0058 GLU CB
H A 0061 LEU C 3.561 H B 0061 LEU CB
H A 0061 LEU CB 3.568 H B 0061 LEU C
H A 0061 LEU CB 3.355 H B 0061 LEU CB
H A 0061 LEU CB 3.788 H B 0062 GLU CA
H A 0061 LEU CG 3.617 H B 0062 GLU CB
H A 0061 LEU CD1 3.422 H B 0062 GLU CB
H A 0062 GLU CA 3.777 H B 0061 LEU CB
H A 0062 GLU CB 3.603 H B 0061 LEU CG
H A 0062 GLU CB 3.408 H B 0061 LEU CD1
H A 0064 LEU CD2 3.653 H B 0065 GLU CG
H A 0064 LEU CD2 3.794 H B 0065 GLU CD
H A 0065 GLU CG 3.641 H B 0064 LEU CD2
H A 0065 GLU CD 3.778 H B 0064 LEU CD2
H A 0065 GLU CA 3.483 H B 0065 GLU CG
H A 0065 GLU CB 3.577 H B 0065 GLU CB
H A 0065 GLU CB 3.742 H B 0065 GLU CG
H A 0065 GLU CG 3.478 H B 0065 GLU CA
H A 0065 GLU CG 3.738 H B 0065 GLU CB
C A 0068 PHE CE2 3.583 C B 0071 ILE CD1
C A 0071 ILE CD1 3.586 C B 0068 PHE CE2
C A 0071 ILE CG2 3.473 C B 0071 ILE CG2
H A 0080 ILE CG2 3.360 H B 0080 ILE CG2
H A 0081 LEU CA 3.713 H B 0081 LEU CB
H A 0081 LEU CB 3.708 H B 0081 LEU CA
H A 0081 LEU CB 3.388 H B 0081 LEU CB
H A 0081 LEU CD2 3.382 H B 0084 ASP CB
H A 0084 ASP CB 3.398 H B 0081 LEU CD2
H A 0089 ILE CG2 3.798 H B 0090 GLU CB
H A 0089 ILE CG2 3.741 H B 0090 GLU CG
H A 0090 GLU CB 3.788 H B 0089 ILE CG2
H A 0090 GLU CG 3.727 H B 0089 ILE CG2
H A 0090 GLU CG 3.501 H B 0093 LEU CD1
H A 0093 LEU CD1 3.497 H B 0090 GLU CG
H A 0093 LEU C 3.439 H B 0093 LEU CD2
H A 0093 LEU CD2 3.446 H B 0093 LEU C
H A 0093 LEU CD2 3.303 H B 0094 THR CA
H A 0094 THR CA 3.295 H B 0093 LEU CD2
CHARGE_ATTR 2.00 12.00 47
C A 0053 HIS ND1 7.061 H B 0056 GLU OE1
C A 0053 HIS ND1 8.520 H B 0056 GLU OE2
C A 0053 HIS NE2 7.655 H B 0056 GLU OE1
C A 0053 HIS NE2 9.048 H B 0056 GLU OE2
C A 0053 HIS ND1 10.07 H B 0058 GLU OE1
C A 0053 HIS ND1 11.33 H B 0058 GLU OE2
C A 0053 HIS NE2 11.67 H B 0058 GLU OE1
H A 0056 GLU OE1 7.056 C B 0053 HIS ND1
H A 0056 GLU OE1 7.646 C B 0053 HIS NE2
H A 0056 GLU OE2 8.519 C B 0053 HIS ND1
H A 0056 GLU OE2 9.044 C B 0053 HIS NE2
H A 0058 GLU OE1 10.07 C B 0053 HIS ND1
H A 0058 GLU OE1 11.67 C B 0053 HIS NE2
H A 0058 GLU OE2 11.33 C B 0053 HIS ND1
H A 0058 GLU OE1 4.377 H B 0060 ARG NH1
H A 0058 GLU OE1 5.012 H B 0060 ARG NH2
H A 0058 GLU OE2 6.114 H B 0060 ARG NH1
H A 0058 GLU OE2 6.054 H B 0060 ARG NH2
H A 0060 ARG NH1 4.397 H B 0058 GLU OE1
H A 0060 ARG NH1 6.135 H B 0058 GLU OE2
H A 0060 ARG NH2 5.022 H B 0058 GLU OE1
H A 0060 ARG NH2 6.071 H B 0058 GLU OE2
H A 0060 ARG NH1 8.468 H B 0062 GLU OE1
H A 0060 ARG NH1 10.51 H B 0062 GLU OE2
H A 0060 ARG NH2 7.116 H B 0062 GLU OE1
H A 0060 ARG NH2 9.021 H B 0062 GLU OE2
H A 0060 ARG NH1 11.64 H B 0065 GLU OE2
H A 0060 ARG NH2 11.37 H B 0065 GLU OE1
H A 0060 ARG NH2 9.515 H B 0065 GLU OE2
H A 0062 GLU OE1 8.445 H B 0060 ARG NH1
H A 0062 GLU OE1 7.092 H B 0060 ARG NH2
H A 0062 GLU OE2 10.49 H B 0060 ARG NH1
H A 0062 GLU OE2 8.996 H B 0060 ARG NH2
H A 0065 GLU OE1 11.35 H B 0060 ARG NH2
H A 0065 GLU OE2 11.63 H B 0060 ARG NH1
H A 0065 GLU OE2 9.499 H B 0060 ARG NH2
H A 0082 LYS NZ 11.74 C B 0105 ASP OD1
H A 0087 ARG NH1 10.11 C B 0105 ASP OD1
H A 0087 ARG NH1 11.31 C B 0105 ASP OD2
H A 0087 ARG NH2 10.61 C B 0105 ASP OD1
H A 0088 ASP OD1 11.22 C B 0104 LYS NZ
H A 0090 GLU OE1 7.205 C B 0104 LYS NZ
H A 0090 GLU OE2 7.288 C B 0104 LYS NZ
C A 0105 ASP OD1 11.72 H B 0082 LYS NZ
C A 0105 ASP OD1 10.13 H B 0087 ARG NH1
C A 0105 ASP OD1 10.61 H B 0087 ARG NH2
C A 0105 ASP OD2 11.32 H B 0087 ARG NH1
CHARGE_REPU 2.00 12.00 54
C A 0051 ARG NH1 10.29 C B 0053 HIS ND1
C A 0051 ARG NH1 9.894 C B 0053 HIS NE2
C A 0051 ARG NH2 11.86 C B 0053 HIS NE2
C A 0053 HIS ND1 5.004 C B 0053 HIS ND1
C A 0053 HIS ND1 6.256 C B 0053 HIS NE2
C A 0053 HIS NE2 6.258 C B 0053 HIS ND1
C A 0053 HIS NE2 6.906 C B 0053 HIS NE2
C A 0053 HIS ND1 9.613 H B 0060 ARG NH1
C A 0053 HIS ND1 11.56 H B 0060 ARG NH2
C A 0053 HIS NE2 11.08 H B 0060 ARG NH1
H A 0056 GLU OE1 11.74 H B 0058 GLU OE1
H A 0058 GLU OE1 11.72 H B 0056 GLU OE1
H A 0060 ARG NH1 9.600 C B 0053 HIS ND1
H A 0060 ARG NH1 11.06 C B 0053 HIS NE2
H A 0060 ARG NH2 11.55 C B 0053 HIS ND1
H A 0065 GLU OE1 7.807 H B 0065 GLU OE1
H A 0065 GLU OE1 8.058 H B 0065 GLU OE2
H A 0065 GLU OE2 8.059 H B 0065 GLU OE1
H A 0065 GLU OE2 8.627 H B 0065 GLU OE2
C A 0076 ASP OD1 11.14 H B 0084 ASP OD1
C A 0076 ASP OD2 10.64 H B 0084 ASP OD1
C A 0076 ASP OD2 11.63 H B 0084 ASP OD2
H A 0078 ASP OD1 9.331 H B 0084 ASP OD1
H A 0078 ASP OD1 9.947 H B 0084 ASP OD2
H A 0078 ASP OD2 8.449 H B 0084 ASP OD1
H A 0078 ASP OD2 9.433 H B 0084 ASP OD2
H A 0078 ASP OD1 11.52 H B 0088 ASP OD2
H A 0078 ASP OD2 11.15 H B 0088 ASP OD1
H A 0078 ASP OD2 9.963 H B 0088 ASP OD2
H A 0082 LYS NZ 11.17 C B 0104 LYS NZ
H A 0084 ASP OD1 11.04 C B 0075 GLU OE1
H A 0084 ASP OD1 11.67 C B 0076 ASP OD1
H A 0084 ASP OD1 11.72 C B 0076 ASP OD2
H A 0084 ASP OD1 9.351 H B 0078 ASP OD1
H A 0084 ASP OD1 8.469 H B 0078 ASP OD2
H A 0084 ASP OD2 9.964 H B 0078 ASP OD1
H A 0084 ASP OD2 9.449 H B 0078 ASP OD2
H A 0084 ASP OD1 10.60 H B 0084 ASP OD1
H A 0084 ASP OD1 8.770 H B 0084 ASP OD2
H A 0084 ASP OD2 8.768 H B 0084 ASP OD1
H A 0084 ASP OD2 7.148 H B 0084 ASP OD2
H A 0087 ARG NH1 4.278 C B 0104 LYS NZ
H A 0087 ARG NH2 6.284 C B 0104 LYS NZ
H A 0088 ASP OD1 11.16 H B 0078 ASP OD2
H A 0088 ASP OD2 11.53 H B 0078 ASP OD1
H A 0088 ASP OD2 9.970 H B 0078 ASP OD2
H A 0090 GLU OE1 11.42 C B 0100 ASP OD1
H A 0090 GLU OE2 10.55 C B 0100 ASP OD1
H A 0090 GLU OE2 11.12 C B 0100 ASP OD2
C A 0100 ASP OD1 11.42 H B 0090 GLU OE1
C A 0100 ASP OD1 10.55 H B 0090 GLU OE2
C A 0100 ASP OD2 11.12 H B 0090 GLU OE2
C A 0104 LYS NZ 7.251 H B 0087 ARG NH1
C A 0104 LYS NZ 9.100 H B 0087 ARG NH2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 226
C B 0050 THR C 2.435 C B 0051 ARG CA
C B 0050 THR C 3.684 C B 0051 ARG C
C B 0050 THR C 3.166 C B 0051 ARG CB
C B 0050 THR C 3.426 C B 0051 ARG CG
C B 0051 ARG C 2.434 C B 0052 ALA CA
C B 0051 ARG C 3.722 C B 0052 ALA C
C B 0051 ARG C 2.982 C B 0052 ALA CB
C B 0052 ALA C 2.440 C B 0053 HIS CA
C B 0052 ALA C 3.056 C B 0053 HIS C
C B 0052 ALA C 2.976 C B 0053 HIS CB
C B 0052 ALA C 3.548 C B 0053 HIS CG
C B 0053 HIS CA 3.779 C B 0054 LEU CD1
C B 0053 HIS C 2.441 C B 0054 LEU CA
C B 0053 HIS C 3.044 C B 0054 LEU C
C B 0053 HIS C 2.990 C B 0054 LEU CB
C B 0053 HIS C 3.652 C B 0054 LEU CG
C B 0053 HIS C 3.126 C B 0054 LEU CD1
C B 0053 HIS CB 3.253 C B 0054 LEU CD1
C B 0054 LEU C 2.475 H B 0055 THR CA
C B 0054 LEU C 2.885 H B 0055 THR C
C B 0054 LEU C 3.331 H B 0055 THR CB
C B 0054 LEU CA 3.563 H B 0058 GLU CB
C B 0054 LEU C 3.463 H B 0058 GLU CB
C B 0054 LEU C 3.743 H B 0058 GLU CG
H B 0055 THR C 2.435 H B 0056 GLU CA
H B 0055 THR C 3.056 H B 0056 GLU C
H B 0055 THR C 3.710 H B 0056 GLU CB
H B 0055 THR CA 3.723 H B 0058 GLU CG
H B 0055 THR CA 3.756 H B 0058 GLU CD
H B 0055 THR C 3.736 H B 0058 GLU CG
H B 0056 GLU C 2.429 H B 0057 VAL CA
H B 0056 GLU C 2.971 H B 0057 VAL C
H B 0056 GLU C 3.740 H B 0057 VAL CB
H B 0057 VAL C 2.427 H B 0058 GLU CA
H B 0057 VAL C 2.919 H B 0058 GLU C
H B 0057 VAL C 3.728 H B 0058 GLU CB
H B 0057 VAL CA 3.563 H B 0060 ARG CB
H B 0057 VAL C 3.437 H B 0060 ARG CB
H B 0058 GLU CA 3.784 H B 0059 SER CA
H B 0058 GLU C 2.418 H B 0059 SER CA
H B 0058 GLU C 2.995 H B 0059 SER C
H B 0058 GLU C 3.701 H B 0059 SER CB
H B 0058 GLU C 3.756 H B 0062 GLU CB
H B 0059 SER C 2.442 H B 0060 ARG CA
H B 0059 SER C 3.137 H B 0060 ARG C
H B 0059 SER C 3.699 H B 0060 ARG CB
H B 0060 ARG CA 3.787 H B 0061 LEU CA
H B 0060 ARG C 2.409 H B 0061 LEU CA
H B 0060 ARG C 2.971 H B 0061 LEU C
H B 0060 ARG C 3.695 H B 0061 LEU CB
H B 0060 ARG CD 3.606 H B 0061 LEU CD2
H B 0060 ARG CZ 3.550 H B 0061 LEU CD2
H B 0061 LEU CA 3.779 H B 0062 GLU CA
H B 0061 LEU C 2.417 H B 0062 GLU CA
H B 0061 LEU C 3.006 H B 0062 GLU C
H B 0061 LEU C 3.700 H B 0062 GLU CB
H B 0062 GLU CA 3.798 H B 0063 ARG CA
H B 0062 GLU C 2.433 H B 0063 ARG CA
H B 0062 GLU C 2.996 H B 0063 ARG C
H B 0062 GLU C 3.722 H B 0063 ARG CB
H B 0063 ARG CA 3.796 H B 0064 LEU CA
H B 0063 ARG C 2.435 H B 0064 LEU CA
H B 0063 ARG C 3.081 H B 0064 LEU C
H B 0063 ARG C 3.706 H B 0064 LEU CB
H B 0064 LEU CA 3.785 H B 0065 GLU CA
H B 0064 LEU C 2.434 H B 0065 GLU CA
H B 0064 LEU C 3.100 H B 0065 GLU C
H B 0064 LEU C 3.696 H B 0065 GLU CB
H B 0065 GLU C 2.436 H B 0066 GLN CA
H B 0065 GLU C 3.160 H B 0066 GLN C
H B 0065 GLU C 3.687 H B 0066 GLN CB
H B 0066 GLN C 2.436 C B 0067 LEU CA
H B 0066 GLN C 3.200 C B 0067 LEU C
H B 0066 GLN C 3.674 C B 0067 LEU CB
H B 0066 GLN C 3.384 C B 0068 PHE CD1
H B 0066 GLN C 3.575 C B 0068 PHE CE1
C B 0067 LEU C 2.437 C B 0068 PHE CA
C B 0067 LEU C 3.030 C B 0068 PHE C
C B 0067 LEU C 2.981 C B 0068 PHE CB
C B 0067 LEU C 3.528 C B 0068 PHE CG
C B 0067 LEU C 3.271 C B 0068 PHE CD1
C B 0068 PHE C 2.435 C B 0069 LEU CA
C B 0068 PHE C 3.558 C B 0069 LEU C
C B 0068 PHE C 3.403 C B 0069 LEU CB
C B 0068 PHE C 3.800 C B 0069 LEU CG
C B 0068 PHE C 3.688 C B 0069 LEU CD1
C B 0068 PHE CD2 3.565 C B 0071 ILE CD1
C B 0069 LEU C 2.434 C B 0070 LEU CA
C B 0069 LEU C 3.524 C B 0070 LEU C
C B 0069 LEU C 3.442 C B 0070 LEU CB
C B 0069 LEU C 3.660 C B 0070 LEU CG
C B 0070 LEU C 2.435 C B 0071 ILE CA
C B 0070 LEU C 3.551 C B 0071 ILE C
C B 0070 LEU C 3.441 C B 0071 ILE CB
C B 0070 LEU C 3.364 C B 0071 ILE CG1
C B 0071 ILE C 2.434 C B 0072 PHE CA
C B 0071 ILE C 3.451 C B 0072 PHE C
C B 0071 ILE C 3.520 C B 0072 PHE CB
C B 0072 PHE CA 2.922 C B 0073 PRO CD
C B 0072 PHE C 2.463 C B 0073 PRO CA
C B 0072 PHE C 3.103 C B 0073 PRO C
C B 0072 PHE C 3.657 C B 0073 PRO CB
C B 0072 PHE C 3.636 C B 0073 PRO CG
C B 0072 PHE C 2.510 C B 0073 PRO CD
C B 0073 PRO C 2.434 C B 0074 ARG CA
C B 0073 PRO C 3.721 C B 0074 ARG C
C B 0073 PRO C 2.990 C B 0074 ARG CB
C B 0073 PRO C 3.294 C B 0074 ARG CG
C B 0074 ARG C 2.434 C B 0075 GLU CA
C B 0074 ARG C 3.668 C B 0075 GLU C
C B 0074 ARG C 3.212 C B 0075 GLU CB
C B 0074 ARG C 3.194 C B 0075 GLU CG
C B 0074 ARG C 3.770 C B 0075 GLU CD
C B 0075 GLU C 2.439 C B 0076 ASP CA
C B 0075 GLU C 3.080 C B 0076 ASP C
C B 0075 GLU C 2.945 C B 0076 ASP CB
C B 0075 GLU C 3.244 C B 0076 ASP CG
C B 0076 ASP C 2.433 C B 0077 LEU CA
C B 0076 ASP C 3.349 C B 0077 LEU C
C B 0076 ASP C 3.593 C B 0077 LEU CB
C B 0077 LEU C 2.436 H B 0078 ASP CA
C B 0077 LEU C 3.550 H B 0078 ASP C
C B 0077 LEU C 3.421 H B 0078 ASP CB
H B 0078 ASP C 2.436 H B 0079 MET CA
H B 0078 ASP C 2.982 H B 0079 MET C
H B 0078 ASP C 3.716 H B 0079 MET CB
H B 0078 ASP CA 3.747 H B 0081 LEU CD2
H B 0079 MET C 2.434 H B 0080 ILE CA
H B 0079 MET C 3.045 H B 0080 ILE C
H B 0079 MET C 3.735 H B 0080 ILE CB
H B 0080 ILE C 2.435 H B 0081 LEU CA
H B 0080 ILE C 3.025 H B 0081 LEU C
H B 0080 ILE C 3.715 H B 0081 LEU CB
H B 0081 LEU C 2.434 H B 0082 LYS CA
H B 0081 LEU C 3.171 H B 0082 LYS C
H B 0081 LEU C 3.682 H B 0082 LYS CB
H B 0082 LYS C 2.435 H B 0083 MET CA
H B 0082 LYS C 3.250 H B 0083 MET C
H B 0082 LYS C 3.651 H B 0083 MET CB
H B 0083 MET C 2.434 H B 0084 ASP CA
H B 0083 MET C 3.290 H B 0084 ASP C
H B 0083 MET C 3.631 H B 0084 ASP CB
H B 0084 ASP C 2.434 C B 0085 SER CA
H B 0084 ASP C 3.247 C B 0085 SER C
H B 0084 ASP C 3.651 C B 0085 SER CB
C B 0085 SER C 2.434 C B 0086 LEU CA
C B 0085 SER C 3.298 C B 0086 LEU C
C B 0085 SER C 3.626 C B 0086 LEU CB
C B 0086 LEU C 2.435 H B 0087 ARG CA
C B 0086 LEU C 2.993 H B 0087 ARG C
C B 0086 LEU C 3.013 H B 0087 ARG CB
C B 0086 LEU C 3.349 H B 0087 ARG CG
H B 0087 ARG C 2.433 H B 0088 ASP CA
H B 0087 ARG C 3.116 H B 0088 ASP C
H B 0087 ARG C 3.697 H B 0088 ASP CB
H B 0088 ASP C 2.439 H B 0089 ILE CA
H B 0088 ASP C 3.251 H B 0089 ILE C
H B 0088 ASP C 3.669 H B 0089 ILE CB
H B 0088 ASP C 3.583 H B 0089 ILE CD1
H B 0089 ILE CA 3.775 H B 0090 GLU CA
H B 0089 ILE C 2.424 H B 0090 GLU CA
H B 0089 ILE C 2.988 H B 0090 GLU C
H B 0089 ILE C 3.705 H B 0090 GLU CB
H B 0090 GLU C 2.441 H B 0091 ALA CA
H B 0090 GLU C 3.240 H B 0091 ALA C
H B 0090 GLU C 3.649 H B 0091 ALA CB
H B 0091 ALA CA 3.800 H B 0092 LEU CA
H B 0091 ALA C 2.431 H B 0092 LEU CA
H B 0091 ALA C 2.941 H B 0092 LEU C
H B 0091 ALA C 3.721 H B 0092 LEU CB
H B 0092 LEU CA 3.797 H B 0093 LEU CA
H B 0092 LEU C 2.436 H B 0093 LEU CA
H B 0092 LEU C 3.279 H B 0093 LEU C
H B 0092 LEU C 3.633 H B 0093 LEU CB
H B 0093 LEU C 2.429 H B 0094 THR CA
H B 0093 LEU C 3.040 H B 0094 THR C
H B 0093 LEU C 3.713 H B 0094 THR CB
H B 0093 LEU CG 3.495 C B 0098 VAL CB
H B 0093 LEU CG 3.553 C B 0098 VAL CG2
H B 0093 LEU CD2 3.747 C B 0098 VAL CA
H B 0093 LEU CD2 3.593 C B 0098 VAL CB
H B 0094 THR C 2.419 H B 0095 GLY CA
H B 0094 THR C 3.531 H B 0095 GLY C
H B 0095 GLY C 2.433 H B 0096 LEU CA
H B 0095 GLY C 3.340 H B 0096 LEU C
H B 0095 GLY C 3.607 H B 0096 LEU CB
H B 0096 LEU CA 3.713 H B 0097 PHE CD1
H B 0096 LEU C 2.445 H B 0097 PHE CA
H B 0096 LEU C 2.881 H B 0097 PHE C
H B 0096 LEU C 3.204 H B 0097 PHE CB
H B 0096 LEU C 3.008 H B 0097 PHE CG
H B 0096 LEU C 2.987 H B 0097 PHE CD1
H B 0096 LEU C 3.742 H B 0097 PHE CD2
H B 0096 LEU C 3.707 H B 0097 PHE CE1
H B 0097 PHE C 2.432 C B 0098 VAL CA
H B 0097 PHE C 3.099 C B 0098 VAL C
H B 0097 PHE C 3.726 C B 0098 VAL CB
C B 0098 VAL C 2.434 C B 0099 GLN CA
C B 0098 VAL C 3.674 C B 0099 GLN C
C B 0098 VAL C 3.192 C B 0099 GLN CB
C B 0099 GLN C 2.434 C B 0100 ASP CA
C B 0099 GLN C 3.716 C B 0100 ASP C
C B 0099 GLN C 2.996 C B 0100 ASP CB
C B 0100 ASP C 2.435 C B 0101 ASN CA
C B 0100 ASP C 3.300 C B 0101 ASN C
C B 0100 ASP C 3.624 C B 0101 ASN CB
C B 0101 ASN C 2.434 C B 0102 VAL CA
C B 0101 ASN C 3.656 C B 0102 VAL C
C B 0101 ASN C 3.271 C B 0102 VAL CB
C B 0101 ASN C 3.254 C B 0102 VAL CG1
C B 0102 VAL C 2.436 C B 0103 ASN CA
C B 0102 VAL C 3.039 C B 0103 ASN C
C B 0102 VAL C 2.970 C B 0103 ASN CB
C B 0102 VAL C 3.388 C B 0103 ASN CG
C B 0103 ASN C 2.434 C B 0104 LYS CA
C B 0103 ASN C 3.536 C B 0104 LYS C
C B 0103 ASN C 3.428 C B 0104 LYS CB
C B 0103 ASN C 3.487 C B 0104 LYS CG
C B 0103 ASN C 3.492 C B 0104 LYS CD
C B 0103 ASN C 3.694 C B 0104 LYS CE
C B 0104 LYS C 2.434 C B 0105 ASP CA
C B 0104 LYS C 3.009 C B 0105 ASP C
C B 0104 LYS C 2.996 C B 0105 ASP CB
C B 0105 ASP C 2.432 C B 0106 ALA CA
C B 0105 ASP C 3.403 C B 0106 ALA C
C B 0105 ASP C 3.545 C B 0106 ALA CB
CHARGE_ATTR 2.00 12.00 43
H B 0056 GLU OE1 11.50 C B 0053 HIS ND1
H B 0056 GLU OE1 8.645 H B 0060 ARG NH1
H B 0056 GLU OE1 10.12 H B 0060 ARG NH2
H B 0056 GLU OE2 10.43 H B 0060 ARG NH1
H B 0056 GLU OE2 11.64 H B 0060 ARG NH2
H B 0056 GLU OE1 9.805 H B 0063 ARG NH1
H B 0056 GLU OE1 7.980 H B 0063 ARG NH2
H B 0056 GLU OE2 9.328 H B 0063 ARG NH1
H B 0056 GLU OE2 7.773 H B 0063 ARG NH2
H B 0058 GLU OE1 9.911 C B 0053 HIS ND1
H B 0058 GLU OE1 11.54 C B 0053 HIS NE2
H B 0058 GLU OE2 11.85 C B 0053 HIS ND1
H B 0062 GLU OE1 10.66 H B 0063 ARG NH1
H B 0062 GLU OE1 11.30 H B 0063 ARG NH2
H B 0062 GLU OE2 9.261 H B 0063 ARG NH1
H B 0062 GLU OE2 10.28 H B 0063 ARG NH2
H B 0065 GLU OE1 11.73 H B 0063 ARG NH1
C B 0075 GLU OE1 8.353 C B 0074 ARG NH1
C B 0075 GLU OE1 8.253 C B 0074 ARG NH2
C B 0075 GLU OE2 8.981 C B 0074 ARG NH1
C B 0075 GLU OE2 8.303 C B 0074 ARG NH2
C B 0076 ASP OD1 8.475 C B 0074 ARG NH1
C B 0076 ASP OD1 8.386 C B 0074 ARG NH2
C B 0076 ASP OD2 10.58 C B 0074 ARG NH1
C B 0076 ASP OD2 10.31 C B 0074 ARG NH2
C B 0076 ASP OD1 9.587 H B 0082 LYS NZ
C B 0076 ASP OD2 8.165 H B 0082 LYS NZ
H B 0078 ASP OD1 3.072 H B 0082 LYS NZ
H B 0078 ASP OD2 4.694 H B 0082 LYS NZ
H B 0078 ASP OD1 8.853 H B 0087 ARG NH1
H B 0078 ASP OD1 6.698 H B 0087 ARG NH2
H B 0078 ASP OD2 10.83 H B 0087 ARG NH1
H B 0078 ASP OD2 8.618 H B 0087 ARG NH2
H B 0088 ASP OD1 11.28 H B 0087 ARG NH1
H B 0090 GLU OE1 8.812 H B 0082 LYS NZ
H B 0090 GLU OE2 10.96 H B 0082 LYS NZ
H B 0090 GLU OE1 5.684 H B 0087 ARG NH1
H B 0090 GLU OE1 5.360 H B 0087 ARG NH2
H B 0090 GLU OE2 7.007 H B 0087 ARG NH1
H B 0090 GLU OE2 7.207 H B 0087 ARG NH2
C B 0100 ASP OD1 11.33 C B 0104 LYS NZ
C B 0105 ASP OD1 10.75 C B 0104 LYS NZ
C B 0105 ASP OD2 11.22 C B 0104 LYS NZ
CHARGE_REPU 2.00 12.00 41
C B 0053 HIS ND1 11.68 H B 0060 ARG NH1
H B 0056 GLU OE1 10.71 H B 0058 GLU OE1
H B 0056 GLU OE1 10.62 H B 0058 GLU OE2
H B 0056 GLU OE2 10.32 H B 0058 GLU OE1
H B 0056 GLU OE2 9.816 H B 0058 GLU OE2
H B 0056 GLU OE1 11.57 H B 0062 GLU OE1
H B 0056 GLU OE2 10.76 H B 0062 GLU OE1
H B 0056 GLU OE2 11.19 H B 0062 GLU OE2
H B 0058 GLU OE1 6.305 H B 0062 GLU OE1
H B 0058 GLU OE1 8.440 H B 0062 GLU OE2
H B 0058 GLU OE2 4.884 H B 0062 GLU OE1
H B 0058 GLU OE2 6.954 H B 0062 GLU OE2
H B 0058 GLU OE1 11.94 H B 0065 GLU OE2
H B 0058 GLU OE2 11.27 H B 0065 GLU OE2
H B 0060 ARG NH1 11.12 H B 0063 ARG NH1
H B 0060 ARG NH1 9.711 H B 0063 ARG NH2
H B 0060 ARG NH2 10.53 H B 0063 ARG NH1
H B 0060 ARG NH2 9.515 H B 0063 ARG NH2
H B 0062 GLU OE1 7.763 H B 0065 GLU OE1
H B 0062 GLU OE1 7.020 H B 0065 GLU OE2
H B 0062 GLU OE2 6.448 H B 0065 GLU OE1
H B 0062 GLU OE2 6.290 H B 0065 GLU OE2
C B 0075 GLU OE1 6.261 C B 0076 ASP OD1
C B 0075 GLU OE1 7.686 C B 0076 ASP OD2
C B 0075 GLU OE2 6.623 C B 0076 ASP OD1
C B 0075 GLU OE2 7.736 C B 0076 ASP OD2
C B 0076 ASP OD1 9.681 H B 0078 ASP OD1
C B 0076 ASP OD1 9.552 H B 0078 ASP OD2
C B 0076 ASP OD2 8.426 H B 0078 ASP OD1
C B 0076 ASP OD2 8.144 H B 0078 ASP OD2
H B 0078 ASP OD1 10.58 H B 0084 ASP OD2
H B 0078 ASP OD2 11.54 H B 0084 ASP OD2
H B 0078 ASP OD1 9.214 H B 0090 GLU OE1
H B 0078 ASP OD1 11.40 H B 0090 GLU OE2
H B 0078 ASP OD2 10.38 H B 0090 GLU OE1
H B 0082 LYS NZ 7.277 H B 0087 ARG NH1
H B 0082 LYS NZ 5.089 H B 0087 ARG NH2
H B 0088 ASP OD1 10.10 H B 0090 GLU OE1
H B 0088 ASP OD1 9.396 H B 0090 GLU OE2
H B 0088 ASP OD2 11.44 H B 0090 GLU OE1
H B 0088 ASP OD2 10.77 H B 0090 GLU OE2
HB_MM 2.00 3.20 94
C B 0051 ARG N 2.250 C B 0050 THR O
C B 0052 ALA N 2.250 C B 0051 ARG O
C B 0053 HIS N 2.250 C B 0052 ALA O
C B 0054 LEU N 2.254 C B 0053 HIS O
H B 0055 THR N 2.265 C B 0054 LEU O
H B 0056 GLU N 2.448 C B 0054 LEU O
H B 0056 GLU N 2.249 H B 0055 THR O
H B 0057 VAL N 2.717 C B 0054 LEU O
H B 0057 VAL N 2.245 H B 0056 GLU O
H B 0058 GLU N 3.022 C B 0054 LEU O
H B 0058 GLU N 2.256 H B 0057 VAL O
H B 0059 SER N 2.979 H B 0055 THR O
H B 0059 SER N 3.067 H B 0056 GLU O
H B 0059 SER N 2.239 H B 0058 GLU O
H B 0060 ARG N 2.836 H B 0056 GLU O
H B 0060 ARG N 2.640 H B 0057 VAL O
H B 0060 ARG N 3.041 H B 0058 GLU O
H B 0060 ARG N 2.253 H B 0059 SER O
H B 0061 LEU N 2.984 H B 0057 VAL O
H B 0061 LEU N 2.251 H B 0060 ARG O
H B 0062 GLU N 2.934 H B 0058 GLU O
H B 0062 GLU N 3.099 H B 0060 ARG O
H B 0062 GLU N 2.248 H B 0061 LEU O
H B 0063 ARG N 2.874 H B 0059 SER O
H B 0063 ARG N 2.803 H B 0060 ARG O
H B 0063 ARG N 2.262 H B 0062 GLU O
H B 0064 LEU N 2.940 H B 0060 ARG O
H B 0064 LEU N 3.098 H B 0061 LEU O
H B 0064 LEU N 2.257 H B 0063 ARG O
H B 0065 GLU N 2.892 H B 0061 LEU O
H B 0065 GLU N 2.923 H B 0062 GLU O
H B 0065 GLU N 2.251 H B 0064 LEU O
H B 0066 GLN N 2.937 H B 0062 GLU O
H B 0066 GLN N 2.254 H B 0065 GLU O
C B 0067 LEU N 3.122 H B 0063 ARG O
C B 0067 LEU N 2.251 H B 0066 GLN O
C B 0068 PHE N 2.251 C B 0067 LEU O
C B 0069 LEU N 2.249 C B 0068 PHE O
C B 0070 LEU N 2.250 C B 0069 LEU O
C B 0071 ILE N 2.250 C B 0070 LEU O
C B 0072 PHE N 2.250 C B 0071 ILE O
C B 0073 PRO N 2.251 C B 0072 PHE O
C B 0074 ARG N 2.249 C B 0073 PRO O
C B 0075 GLU N 2.249 C B 0074 ARG O
C B 0076 ASP N 2.252 C B 0075 GLU O
C B 0077 LEU N 2.250 C B 0076 ASP O
H B 0078 ASP N 2.251 C B 0077 LEU O
H B 0079 MET N 2.250 H B 0078 ASP O
H B 0080 ILE N 3.042 H B 0078 ASP O
H B 0080 ILE N 2.250 H B 0079 MET O
H B 0081 LEU N 2.251 H B 0080 ILE O
H B 0082 LYS N 2.907 H B 0078 ASP O
H B 0082 LYS N 3.045 H B 0080 ILE O
H B 0082 LYS N 2.250 H B 0081 LEU O
H B 0083 MET N 2.904 H B 0079 MET O
H B 0083 MET N 2.994 H B 0080 ILE O
H B 0083 MET N 2.251 H B 0082 LYS O
H B 0084 ASP N 2.914 H B 0080 ILE O
H B 0084 ASP N 2.252 H B 0083 MET O
C B 0085 SER N 2.914 H B 0081 LEU O
C B 0085 SER N 2.250 H B 0084 ASP O
C B 0086 LEU N 2.249 C B 0085 SER O
H B 0087 ARG N 2.250 C B 0086 LEU O
H B 0088 ASP N 3.007 C B 0086 LEU O
H B 0088 ASP N 2.247 H B 0087 ARG O
H B 0089 ILE N 2.254 H B 0088 ASP O
H B 0090 GLU N 2.252 H B 0089 ILE O
H B 0091 ALA N 2.859 H B 0087 ARG O
H B 0091 ALA N 3.099 H B 0089 ILE O
H B 0091 ALA N 2.257 H B 0090 GLU O
H B 0092 LEU N 2.957 H B 0088 ASP O
H B 0092 LEU N 2.251 H B 0091 ALA O
H B 0093 LEU N 2.917 H B 0089 ILE O
H B 0093 LEU N 2.941 H B 0091 ALA O
H B 0093 LEU N 2.256 H B 0092 LEU O
H B 0094 THR N 2.900 H B 0090 GLU O
H B 0094 THR N 2.949 H B 0091 ALA O
H B 0094 THR N 2.250 H B 0093 LEU O
H B 0095 GLY N 2.881 H B 0091 ALA O
H B 0095 GLY N 3.073 H B 0093 LEU O
H B 0095 GLY N 2.248 H B 0094 THR O
H B 0096 LEU N 2.911 H B 0092 LEU O
H B 0096 LEU N 2.249 H B 0095 GLY O
H B 0097 PHE N 2.865 H B 0093 LEU O
H B 0097 PHE N 2.249 H B 0096 LEU O
C B 0098 VAL N 2.249 H B 0097 PHE O
C B 0099 GLN N 2.250 C B 0098 VAL O
C B 0100 ASP N 2.250 C B 0099 GLN O
C B 0101 ASN N 2.250 C B 0100 ASP O
C B 0102 VAL N 2.251 C B 0101 ASN O
C B 0103 ASN N 2.250 C B 0102 VAL O
C B 0104 LYS N 2.250 C B 0103 ASN O
C B 0105 ASP N 2.251 C B 0104 LYS O
C B 0106 ALA N 2.250 C B 0105 ASP O
HB_MS 2.00 3.20 5
H B 0055 THR N 3.159 H B 0058 GLU OE1
H B 0066 GLN N 3.152 H B 0065 GLU OE1
H B 0081 LEU O 2.489 C B 0085 SER OG
H B 0090 GLU O 2.413 H B 0094 THR OG1
C B 0101 ASN N 3.072 C B 0100 ASP OD1
HB_SS 2.00 3.20 1
C B 0103 ASN ND2 3.178 C B 0101 ASN OD1
AROMATIC 0.00 8.00 1
C B 0068 PHE 5.444 C B 0072 PHE