Complet list of 1ajy con file
Complete list of 1ajy.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 279
C A 0030 MET C 2.424 C A 0031 SER CA
C A 0030 MET C 3.696 C A 0031 SER C
C A 0030 MET C 2.996 C A 0031 SER CB
C A 0031 SER C 2.424 C A 0032 VAL CA
C A 0031 SER C 3.132 C A 0032 VAL C
C A 0031 SER C 3.618 C A 0032 VAL CB
C A 0032 VAL C 2.424 C A 0033 ALA CA
C A 0032 VAL C 3.581 C A 0033 ALA C
C A 0032 VAL C 3.282 C A 0033 ALA CB
C A 0033 ALA C 2.424 C A 0034 CYS CA
C A 0033 ALA C 3.045 C A 0034 CYS C
C A 0033 ALA C 3.639 C A 0034 CYS CB
C A 0033 ALA CB 3.790 H A 0037 CYS CB
C A 0033 ALA CA 3.307 C A 0044 CYS CB
C A 0033 ALA CB 3.384 C A 0044 CYS CB
C A 0033 ALA C 3.661 C A 0062 TYR CD1
C A 0033 ALA C 3.355 C A 0062 TYR CE1
C A 0034 CYS C 2.419 H A 0035 LEU CA
C A 0034 CYS C 3.067 H A 0035 LEU C
C A 0034 CYS C 3.627 H A 0035 LEU CB
C A 0034 CYS CB 3.757 C A 0060 CYS CA
C A 0034 CYS CA 3.777 C A 0062 TYR CD1
C A 0034 CYS CA 3.508 C A 0062 TYR CE1
H A 0035 LEU C 2.420 H A 0036 SER CA
H A 0035 LEU C 3.099 H A 0036 SER C
H A 0035 LEU C 3.619 H A 0036 SER CB
H A 0035 LEU CD1 3.707 C A 0061 GLU CG
H A 0035 LEU CD1 3.396 C A 0061 GLU CD
H A 0036 SER C 2.421 H A 0037 CYS CA
H A 0036 SER C 3.106 H A 0037 CYS C
H A 0036 SER C 3.625 H A 0037 CYS CB
H A 0036 SER CA 3.612 H A 0039 LYS CG
H A 0036 SER C 3.561 H A 0039 LYS CG
H A 0037 CYS C 2.428 H A 0038 ARG CA
H A 0037 CYS C 3.212 H A 0038 ARG C
H A 0037 CYS C 3.597 H A 0038 ARG CB
H A 0037 CYS CA 3.476 C A 0042 ILE CB
H A 0037 CYS CA 3.663 C A 0042 ILE CG1
H A 0037 CYS CA 3.553 C A 0042 ILE CD1
H A 0037 CYS CB 3.606 C A 0042 ILE CB
H A 0038 ARG C 2.424 H A 0039 LYS CA
H A 0038 ARG C 3.108 H A 0039 LYS C
H A 0038 ARG C 3.634 H A 0039 LYS CB
H A 0039 LYS C 2.423 C A 0040 ARG CA
H A 0039 LYS C 3.404 C A 0040 ARG C
H A 0039 LYS C 3.474 C A 0040 ARG CB
H A 0039 LYS C 3.549 C A 0040 ARG CG
H A 0039 LYS CG 3.739 C A 0040 ARG CG
H A 0039 LYS CD 3.308 C A 0040 ARG CG
H A 0039 LYS CD 3.461 C A 0040 ARG CD
C A 0040 ARG C 2.425 C A 0041 HIS CA
C A 0040 ARG C 2.920 C A 0041 HIS C
C A 0040 ARG C 2.921 C A 0041 HIS CB
C A 0040 ARG C 3.786 C A 0042 ILE CG1
C A 0040 ARG CB 3.558 C A 0042 ILE CG1
C A 0040 ARG CB 3.644 C A 0042 ILE CD1
C A 0041 HIS C 2.421 C A 0042 ILE CA
C A 0041 HIS C 3.352 C A 0042 ILE C
C A 0041 HIS C 3.516 C A 0042 ILE CB
C A 0041 HIS C 3.569 C A 0042 ILE CG1
C A 0042 ILE C 2.420 C A 0043 LYS CA
C A 0042 ILE C 3.099 C A 0043 LYS C
C A 0042 ILE C 3.623 C A 0043 LYS CB
C A 0043 LYS C 2.422 C A 0044 CYS CA
C A 0043 LYS C 2.945 C A 0044 CYS C
C A 0043 LYS C 3.635 C A 0044 CYS CB
C A 0044 CYS CA 2.844 C A 0045 PRO CD
C A 0044 CYS C 2.434 C A 0045 PRO CA
C A 0044 CYS C 3.020 C A 0045 PRO C
C A 0044 CYS C 3.627 C A 0045 PRO CB
C A 0044 CYS C 3.642 C A 0045 PRO CG
C A 0044 CYS C 2.470 C A 0045 PRO CD
C A 0044 CYS CB 3.780 C A 0045 PRO CD
C A 0045 PRO C 2.424 C A 0046 GLY CA
C A 0045 PRO C 3.556 C A 0046 GLY C
C A 0045 PRO CG 3.364 C A 0051 GLN CB
C A 0045 PRO CD 3.748 H A 0052 LYS CB
C A 0045 PRO CD 3.488 H A 0052 LYS CG
C A 0046 GLY C 2.423 C A 0047 GLY CA
C A 0046 GLY C 3.690 C A 0047 GLY C
C A 0047 GLY C 2.423 C A 0048 ASN CA
C A 0047 GLY C 3.607 C A 0048 ASN C
C A 0047 GLY C 3.259 C A 0048 ASN CB
C A 0047 GLY C 3.645 C A 0048 ASN CG
C A 0047 GLY C 3.103 C A 0049 PRO C
C A 0047 GLY C 3.667 C A 0050 CYS CA
C A 0047 GLY C 3.741 C A 0062 TYR CE2
C A 0048 ASN CA 2.827 C A 0049 PRO CA
C A 0048 ASN CA 3.060 C A 0049 PRO C
C A 0048 ASN C 2.469 C A 0049 PRO CA
C A 0048 ASN C 3.106 C A 0049 PRO C
C A 0048 ASN C 3.634 C A 0049 PRO CB
C A 0048 ASN C 3.612 C A 0049 PRO CG
C A 0048 ASN C 2.431 C A 0049 PRO CD
C A 0048 ASN CG 3.440 C A 0062 TYR CD2
C A 0048 ASN CG 3.306 C A 0062 TYR CE2
C A 0049 PRO C 2.425 C A 0050 CYS CA
C A 0049 PRO C 3.232 C A 0050 CYS C
C A 0049 PRO C 3.580 C A 0050 CYS CB
C A 0049 PRO CB 3.464 H A 0054 VAL CG2
C A 0049 PRO CA 3.583 C A 0060 CYS CB
C A 0049 PRO CB 3.562 C A 0060 CYS CB
C A 0050 CYS C 2.418 C A 0051 GLN CA
C A 0050 CYS C 3.593 C A 0051 GLN C
C A 0050 CYS C 3.268 C A 0051 GLN CB
C A 0050 CYS C 3.270 H A 0054 VAL CG2
C A 0051 GLN C 2.422 H A 0052 LYS CA
C A 0051 GLN C 3.005 H A 0052 LYS C
C A 0051 GLN C 3.640 H A 0052 LYS CB
C A 0051 GLN C 3.712 H A 0055 THR CG2
H A 0052 LYS C 2.410 H A 0053 CYS CA
H A 0052 LYS C 3.287 H A 0053 CYS C
H A 0052 LYS C 3.514 H A 0053 CYS CB
H A 0052 LYS CA 3.453 H A 0055 THR CG2
H A 0052 LYS C 3.186 H A 0055 THR CG2
H A 0053 CYS C 2.417 H A 0054 VAL CA
H A 0053 CYS C 2.898 H A 0054 VAL C
H A 0053 CYS C 3.666 H A 0054 VAL CB
H A 0053 CYS CA 3.632 C A 0058 ALA CB
H A 0053 CYS CB 3.416 C A 0058 ALA CB
H A 0054 VAL CA 3.796 H A 0055 THR CA
H A 0054 VAL C 2.421 H A 0055 THR CA
H A 0054 VAL C 3.127 H A 0055 THR C
H A 0054 VAL C 3.608 H A 0055 THR CB
H A 0055 THR C 2.428 C A 0056 SER CA
H A 0055 THR C 3.276 C A 0056 SER C
H A 0055 THR C 3.560 C A 0056 SER CB
C A 0056 SER C 2.462 C A 0057 ASN CA
C A 0056 SER C 2.886 C A 0057 ASN C
C A 0056 SER C 3.155 C A 0057 ASN CB
C A 0056 SER C 2.878 C A 0057 ASN CG
C A 0057 ASN CA 3.789 C A 0058 ALA CA
C A 0057 ASN C 2.418 C A 0058 ALA CA
C A 0057 ASN C 3.510 C A 0058 ALA C
C A 0057 ASN C 3.341 C A 0058 ALA CB
C A 0058 ALA C 2.417 C A 0059 ILE CA
C A 0058 ALA C 3.273 C A 0059 ILE C
C A 0058 ALA C 3.561 C A 0059 ILE CB
C A 0058 ALA C 3.663 C A 0059 ILE CG1
C A 0059 ILE C 2.417 C A 0060 CYS CA
C A 0059 ILE C 3.426 C A 0060 CYS C
C A 0059 ILE C 3.467 C A 0060 CYS CB
C A 0060 CYS C 2.420 C A 0061 GLU CA
C A 0060 CYS C 3.639 C A 0061 GLU C
C A 0060 CYS C 3.176 C A 0061 GLU CB
C A 0060 CYS C 3.739 C A 0061 GLU CG
C A 0061 GLU C 2.426 C A 0062 TYR CA
C A 0061 GLU C 3.502 C A 0062 TYR C
C A 0061 GLU C 3.388 C A 0062 TYR CB
C A 0061 GLU C 3.330 C A 0062 TYR CG
C A 0061 GLU C 3.252 C A 0062 TYR CD1
C A 0062 TYR C 2.424 C A 0063 LEU CA
C A 0062 TYR C 3.427 C A 0063 LEU C
C A 0062 TYR C 3.459 C A 0063 LEU CB
C A 0062 TYR C 3.641 C A 0063 LEU CG
C A 0063 LEU C 2.424 C A 0064 GLU CA
C A 0063 LEU C 3.679 C A 0064 GLU C
C A 0063 LEU C 3.086 C A 0064 GLU CB
C A 0063 LEU C 3.581 C A 0065 PRO CD
C A 0064 GLU CA 2.817 C A 0065 PRO CD
C A 0064 GLU C 2.435 C A 0065 PRO CA
C A 0064 GLU C 3.012 C A 0065 PRO C
C A 0064 GLU C 3.626 C A 0065 PRO CB
C A 0064 GLU C 3.640 C A 0065 PRO CG
C A 0064 GLU C 2.462 C A 0065 PRO CD
C A 0065 PRO C 2.425 C A 0066 SER CA
C A 0065 PRO C 3.470 C A 0066 SER C
C A 0065 PRO C 3.422 C A 0066 SER CB
C A 0066 SER C 2.452 C A 0067 LYS CA
C A 0066 SER C 3.025 C A 0067 LYS C
C A 0066 SER C 2.913 C A 0067 LYS CB
C A 0066 SER C 3.730 C A 0068 LYS CG
C A 0067 LYS C 2.436 C A 0068 LYS CA
C A 0067 LYS C 2.980 C A 0068 LYS C
C A 0067 LYS C 2.916 C A 0068 LYS CB
C A 0067 LYS C 3.367 C A 0068 LYS CG
C A 0068 LYS C 2.424 E A 0069 ILE CA
C A 0068 LYS C 3.292 E A 0069 ILE C
C A 0068 LYS C 3.558 E A 0069 ILE CB
E A 0069 ILE C 2.422 E A 0070 VAL CA
E A 0069 ILE C 3.643 E A 0070 VAL C
E A 0069 ILE C 3.181 E A 0070 VAL CB
E A 0069 ILE C 2.881 E A 0070 VAL CG2
E A 0070 VAL C 2.428 E A 0071 VAL CA
E A 0070 VAL C 3.700 E A 0071 VAL C
E A 0070 VAL C 3.070 E A 0071 VAL CB
E A 0070 VAL C 3.239 E A 0071 VAL CG1
E A 0070 VAL C 3.212 E A 0071 VAL CG2
E A 0071 VAL C 2.422 E A 0072 SER CA
E A 0071 VAL C 3.647 E A 0072 SER C
E A 0071 VAL C 3.179 E A 0072 SER CB
E A 0072 SER C 2.428 H A 0073 THR CA
E A 0072 SER C 2.982 H A 0073 THR C
E A 0072 SER C 3.648 H A 0073 THR CB
H A 0073 THR C 2.421 H A 0074 LYS CA
H A 0073 THR C 2.893 H A 0074 LYS C
H A 0073 THR C 3.636 H A 0074 LYS CB
H A 0074 LYS C 2.428 H A 0075 TYR CA
H A 0074 LYS C 2.970 H A 0075 TYR C
H A 0074 LYS C 3.634 H A 0075 TYR CB
H A 0075 TYR C 2.425 H A 0076 LEU CA
H A 0075 TYR C 2.970 H A 0076 LEU C
H A 0075 TYR C 3.634 H A 0076 LEU CB
H A 0076 LEU C 2.425 H A 0077 GLN CA
H A 0076 LEU C 3.012 H A 0077 GLN C
H A 0076 LEU C 3.637 H A 0077 GLN CB
H A 0077 GLN C 2.424 H A 0078 GLN CA
H A 0077 GLN C 2.922 H A 0078 GLN C
H A 0077 GLN C 3.635 H A 0078 GLN CB
H A 0078 GLN C 2.426 H A 0079 LEU CA
H A 0078 GLN C 3.183 H A 0079 LEU C
H A 0078 GLN C 3.601 H A 0079 LEU CB
H A 0078 GLN C 3.434 H A 0079 LEU CD2
H A 0079 LEU C 2.417 H A 0080 GLN CA
H A 0079 LEU C 3.120 H A 0080 GLN C
H A 0079 LEU C 3.603 H A 0080 GLN CB
H A 0080 GLN C 2.422 H A 0081 LYS CA
H A 0080 GLN C 3.148 H A 0081 LYS C
H A 0080 GLN C 3.611 H A 0081 LYS CB
H A 0081 LYS C 2.420 H A 0082 ASP CA
H A 0081 LYS C 2.884 H A 0082 ASP C
H A 0081 LYS C 3.640 H A 0082 ASP CB
H A 0082 ASP C 2.421 H A 0083 LEU CA
H A 0082 ASP C 2.968 H A 0083 LEU C
H A 0082 ASP C 3.636 H A 0083 LEU CB
H A 0083 LEU C 2.422 H A 0084 ASN CA
H A 0083 LEU C 3.015 H A 0084 ASN C
H A 0083 LEU C 3.633 H A 0084 ASN CB
H A 0084 ASN C 2.418 H A 0085 ASP CA
H A 0084 ASN C 3.003 H A 0085 ASP C
H A 0084 ASN C 3.638 H A 0085 ASP CB
H A 0085 ASP C 2.418 H A 0086 LYS CA
H A 0085 ASP C 3.091 H A 0086 LYS C
H A 0085 ASP C 3.620 H A 0086 LYS CB
H A 0086 LYS C 2.426 H A 0087 THR CA
H A 0086 LYS C 3.082 H A 0087 THR C
H A 0086 LYS C 3.613 H A 0087 THR CB
H A 0087 THR C 2.423 H A 0088 GLU CA
H A 0087 THR C 2.947 H A 0088 GLU C
H A 0087 THR C 3.644 H A 0088 GLU CB
H A 0088 GLU C 2.420 H A 0089 GLU CA
H A 0088 GLU C 3.013 H A 0089 GLU C
H A 0088 GLU C 3.634 H A 0089 GLU CB
H A 0088 GLU C 3.725 H A 0091 ASN CB
H A 0089 GLU C 2.428 H A 0090 ASN CA
H A 0089 GLU C 2.895 H A 0090 ASN C
H A 0089 GLU C 3.637 H A 0090 ASN CB
H A 0090 ASN C 2.424 H A 0091 ASN CA
H A 0090 ASN C 3.083 H A 0091 ASN C
H A 0090 ASN C 3.619 H A 0091 ASN CB
H A 0091 ASN C 2.424 H A 0092 ARG CA
H A 0091 ASN C 3.141 H A 0092 ARG C
H A 0091 ASN C 3.612 H A 0092 ARG CB
H A 0092 ARG C 2.430 H A 0093 LEU CA
H A 0092 ARG C 2.887 H A 0093 LEU C
H A 0092 ARG C 3.631 H A 0093 LEU CB
H A 0092 ARG CG 3.407 H A 0096 LEU CD1
H A 0093 LEU C 2.421 H A 0094 LYS CA
H A 0093 LEU C 3.078 H A 0094 LYS C
H A 0093 LEU C 3.628 H A 0094 LYS CB
H A 0094 LYS C 2.420 H A 0095 ALA CA
H A 0094 LYS C 3.277 H A 0095 ALA C
H A 0094 LYS C 3.561 H A 0095 ALA CB
H A 0095 ALA C 2.424 H A 0096 LEU CA
H A 0095 ALA C 3.370 H A 0096 LEU C
H A 0095 ALA C 3.501 H A 0096 LEU CB
H A 0096 LEU C 2.423 H A 0097 LEU CA
H A 0096 LEU C 3.406 H A 0097 LEU C
H A 0096 LEU C 3.474 H A 0097 LEU CB
H A 0096 LEU C 3.600 H A 0097 LEU CG
H A 0097 LEU C 2.418 C A 0098 LEU CA
H A 0097 LEU C 3.016 C A 0098 LEU C
H A 0097 LEU C 3.627 C A 0098 LEU CB
C A 0098 LEU C 2.421 C A 0099 GLU CA
C A 0098 LEU C 3.255 C A 0099 GLU C
C A 0098 LEU C 3.570 C A 0099 GLU CB
C A 0099 GLU C 2.423 C A 0100 ARG CA
C A 0099 GLU C 3.544 C A 0100 ARG C
C A 0099 GLU C 3.333 C A 0100 ARG CB
CHARGE_ATTR 2.00 12.00 44
C A 0061 GLU OE1 11.39 H A 0038 ARG NH1
C A 0061 GLU OE2 11.87 H A 0038 ARG NH1
C A 0061 GLU OE1 9.985 H A 0039 LYS NZ
C A 0061 GLU OE2 8.427 H A 0039 LYS NZ
C A 0061 GLU OE1 9.136 C A 0068 LYS NZ
C A 0061 GLU OE2 10.90 C A 0068 LYS NZ
C A 0064 GLU OE1 3.338 H A 0038 ARG NH1
C A 0064 GLU OE1 5.324 H A 0038 ARG NH2
C A 0064 GLU OE2 4.970 H A 0038 ARG NH1
C A 0064 GLU OE2 6.675 H A 0038 ARG NH2
C A 0064 GLU OE1 11.72 H A 0039 LYS NZ
C A 0064 GLU OE2 10.72 H A 0039 LYS NZ
C A 0064 GLU OE1 10.51 C A 0041 HIS NE2
C A 0064 GLU OE2 10.49 C A 0041 HIS NE2
C A 0064 GLU OE1 6.999 C A 0068 LYS NZ
C A 0064 GLU OE2 6.222 C A 0068 LYS NZ
H A 0082 ASP OD1 11.15 H A 0081 LYS NZ
H A 0082 ASP OD1 6.005 H A 0086 LYS NZ
H A 0082 ASP OD2 5.483 H A 0086 LYS NZ
H A 0085 ASP OD1 10.33 H A 0081 LYS NZ
H A 0085 ASP OD2 8.649 H A 0081 LYS NZ
H A 0085 ASP OD1 7.523 H A 0086 LYS NZ
H A 0085 ASP OD2 8.635 H A 0086 LYS NZ
H A 0085 ASP OD1 10.65 H A 0092 ARG NH1
H A 0085 ASP OD2 12.00 H A 0092 ARG NH1
H A 0088 GLU OE1 7.795 H A 0081 LYS NZ
H A 0088 GLU OE2 8.053 H A 0081 LYS NZ
H A 0088 GLU OE1 11.10 H A 0086 LYS NZ
H A 0088 GLU OE1 9.603 H A 0092 ARG NH1
H A 0088 GLU OE1 11.69 H A 0092 ARG NH2
H A 0088 GLU OE2 8.871 H A 0092 ARG NH1
H A 0088 GLU OE2 11.08 H A 0092 ARG NH2
H A 0089 GLU OE1 8.098 H A 0086 LYS NZ
H A 0089 GLU OE2 6.130 H A 0086 LYS NZ
H A 0089 GLU OE1 8.174 H A 0092 ARG NH1
H A 0089 GLU OE1 9.532 H A 0092 ARG NH2
H A 0089 GLU OE2 10.32 H A 0092 ARG NH1
H A 0089 GLU OE2 11.60 H A 0092 ARG NH2
C A 0099 GLU OE1 11.77 H A 0092 ARG NH2
C A 0099 GLU OE2 10.41 H A 0092 ARG NH2
C A 0099 GLU OE1 10.32 C A 0100 ARG NH1
C A 0099 GLU OE1 9.700 C A 0100 ARG NH2
C A 0099 GLU OE2 11.75 C A 0100 ARG NH1
C A 0099 GLU OE2 10.80 C A 0100 ARG NH2
CHARGE_REPU 2.00 12.00 37
H A 0038 ARG NH1 10.03 C A 0041 HIS ND1
H A 0038 ARG NH1 8.463 C A 0041 HIS NE2
H A 0038 ARG NH2 8.924 C A 0041 HIS ND1
H A 0038 ARG NH2 7.366 C A 0041 HIS NE2
H A 0038 ARG NH1 10.20 C A 0068 LYS NZ
H A 0038 ARG NH2 11.87 C A 0068 LYS NZ
H A 0039 LYS NZ 5.644 C A 0040 ARG NH1
H A 0039 LYS NZ 6.499 C A 0040 ARG NH2
C A 0040 ARG NH2 9.867 H A 0052 LYS NZ
C A 0043 LYS NZ 8.116 H A 0052 LYS NZ
C A 0061 GLU OE1 9.003 C A 0064 GLU OE1
C A 0061 GLU OE1 8.754 C A 0064 GLU OE2
C A 0061 GLU OE2 9.856 C A 0064 GLU OE1
C A 0061 GLU OE2 9.548 C A 0064 GLU OE2
H A 0082 ASP OD1 6.343 H A 0085 ASP OD1
H A 0082 ASP OD1 5.728 H A 0085 ASP OD2
H A 0082 ASP OD2 7.818 H A 0085 ASP OD1
H A 0082 ASP OD2 7.485 H A 0085 ASP OD2
H A 0082 ASP OD1 9.356 H A 0088 GLU OE1
H A 0082 ASP OD1 11.48 H A 0088 GLU OE2
H A 0082 ASP OD2 10.60 H A 0088 GLU OE1
H A 0082 ASP OD1 8.978 H A 0089 GLU OE1
H A 0082 ASP OD1 7.046 H A 0089 GLU OE2
H A 0082 ASP OD2 10.14 H A 0089 GLU OE1
H A 0082 ASP OD2 8.140 H A 0089 GLU OE2
H A 0085 ASP OD1 4.405 H A 0088 GLU OE1
H A 0085 ASP OD1 6.416 H A 0088 GLU OE2
H A 0085 ASP OD2 4.388 H A 0088 GLU OE1
H A 0085 ASP OD2 6.423 H A 0088 GLU OE2
H A 0085 ASP OD1 3.167 H A 0089 GLU OE1
H A 0085 ASP OD1 2.430 H A 0089 GLU OE2
H A 0085 ASP OD2 5.218 H A 0089 GLU OE1
H A 0085 ASP OD2 4.506 H A 0089 GLU OE2
H A 0088 GLU OE1 5.412 H A 0089 GLU OE1
H A 0088 GLU OE1 6.117 H A 0089 GLU OE2
H A 0088 GLU OE2 6.793 H A 0089 GLU OE1
H A 0088 GLU OE2 7.921 H A 0089 GLU OE2
HB_MM 2.00 3.20 119
C A 0031 SER N 2.197 C A 0030 MET O
C A 0032 VAL N 2.197 C A 0031 SER O
C A 0033 ALA N 2.197 C A 0032 VAL O
C A 0034 CYS N 2.197 C A 0033 ALA O
H A 0035 LEU N 2.195 C A 0034 CYS O
H A 0036 SER N 2.195 H A 0035 LEU O
H A 0037 CYS N 2.198 H A 0036 SER O
H A 0038 ARG N 3.031 C A 0034 CYS O
H A 0038 ARG N 2.200 H A 0037 CYS O
H A 0039 LYS N 2.196 H A 0038 ARG O
C A 0040 ARG N 2.196 H A 0039 LYS O
C A 0041 HIS N 3.106 H A 0037 CYS O
C A 0041 HIS N 2.196 C A 0040 ARG O
C A 0042 ILE N 2.581 H A 0037 CYS O
C A 0042 ILE N 2.196 C A 0041 HIS O
C A 0043 LYS N 2.195 C A 0042 ILE O
C A 0044 CYS N 2.705 C A 0042 ILE O
C A 0044 CYS N 2.196 C A 0043 LYS O
C A 0045 PRO N 2.230 C A 0044 CYS O
C A 0046 GLY N 2.198 C A 0045 PRO O
C A 0047 GLY N 2.197 C A 0046 GLY O
C A 0048 ASN N 2.198 C A 0047 GLY O
C A 0048 ASN N 2.573 C A 0049 PRO O
C A 0049 PRO N 2.229 C A 0048 ASN O
C A 0050 CYS N 3.171 C A 0047 GLY O
C A 0050 CYS N 2.196 C A 0049 PRO O
C A 0051 GLN N 2.193 C A 0050 CYS O
H A 0052 LYS N 2.193 C A 0051 GLN O
H A 0053 CYS N 3.096 C A 0051 GLN O
H A 0053 CYS N 2.189 H A 0052 LYS O
H A 0054 VAL N 2.201 H A 0053 CYS O
H A 0055 THR N 2.916 C A 0051 GLN O
H A 0055 THR N 3.009 H A 0053 CYS O
H A 0055 THR N 2.204 H A 0054 VAL O
C A 0056 SER N 2.830 H A 0053 CYS O
C A 0056 SER N 2.203 H A 0055 THR O
C A 0057 ASN N 2.651 H A 0053 CYS O
C A 0057 ASN N 2.212 C A 0056 SER O
C A 0058 ALA N 2.741 H A 0053 CYS O
C A 0058 ALA N 3.106 C A 0056 SER O
C A 0058 ALA N 2.197 C A 0057 ASN O
C A 0059 ILE N 2.194 C A 0058 ALA O
C A 0060 CYS N 2.191 C A 0059 ILE O
C A 0061 GLU N 2.194 C A 0060 CYS O
C A 0062 TYR N 2.197 C A 0061 GLU O
C A 0063 LEU N 2.195 C A 0062 TYR O
C A 0064 GLU N 2.197 C A 0063 LEU O
C A 0065 PRO N 2.230 C A 0064 GLU O
C A 0066 SER N 2.198 C A 0065 PRO O
C A 0067 LYS N 2.206 C A 0066 SER O
C A 0068 LYS N 2.464 C A 0066 SER O
C A 0068 LYS N 2.198 C A 0067 LYS O
E A 0069 ILE N 2.199 C A 0068 LYS O
E A 0070 VAL N 2.194 E A 0069 ILE O
E A 0071 VAL N 2.196 E A 0070 VAL O
E A 0072 SER N 2.194 E A 0071 VAL O
H A 0073 THR N 2.201 E A 0072 SER O
H A 0074 LYS N 2.197 H A 0073 THR O
H A 0075 TYR N 2.898 E A 0072 SER O
H A 0075 TYR N 2.853 H A 0073 THR O
H A 0075 TYR N 2.202 H A 0074 LYS O
H A 0076 LEU N 2.824 H A 0073 THR O
H A 0076 LEU N 2.199 H A 0075 TYR O
H A 0077 GLN N 2.198 H A 0076 LEU O
H A 0078 GLN N 2.777 H A 0074 LYS O
H A 0078 GLN N 2.195 H A 0077 GLN O
H A 0079 LEU N 3.170 H A 0075 TYR O
H A 0079 LEU N 3.197 H A 0076 LEU O
H A 0079 LEU N 2.961 H A 0077 GLN O
H A 0079 LEU N 2.195 H A 0078 GLN O
H A 0080 GLN N 2.899 H A 0076 LEU O
H A 0080 GLN N 2.846 H A 0077 GLN O
H A 0080 GLN N 2.195 H A 0079 LEU O
H A 0081 LYS N 2.697 H A 0077 GLN O
H A 0081 LYS N 2.198 H A 0080 GLN O
H A 0082 ASP N 3.059 H A 0078 GLN O
H A 0082 ASP N 2.197 H A 0081 LYS O
H A 0083 LEU N 3.199 H A 0079 LEU O
H A 0083 LEU N 3.065 H A 0081 LYS O
H A 0083 LEU N 2.201 H A 0082 ASP O
H A 0084 ASN N 2.775 H A 0081 LYS O
H A 0084 ASN N 2.198 H A 0083 LEU O
H A 0085 ASP N 2.795 H A 0081 LYS O
H A 0085 ASP N 3.038 H A 0082 ASP O
H A 0085 ASP N 2.198 H A 0084 ASN O
H A 0086 LYS N 3.167 H A 0082 ASP O
H A 0086 LYS N 3.015 H A 0083 LEU O
H A 0086 LYS N 3.077 H A 0084 ASN O
H A 0086 LYS N 2.198 H A 0085 ASP O
H A 0087 THR N 2.888 H A 0084 ASN O
H A 0087 THR N 2.205 H A 0086 LYS O
H A 0088 GLU N 2.805 H A 0084 ASN O
H A 0088 GLU N 2.200 H A 0087 THR O
H A 0089 GLU N 3.013 H A 0085 ASP O
H A 0089 GLU N 3.178 H A 0087 THR O
H A 0089 GLU N 2.201 H A 0088 GLU O
H A 0090 ASN N 2.883 H A 0086 LYS O
H A 0090 ASN N 3.131 H A 0087 THR O
H A 0090 ASN N 2.201 H A 0089 GLU O
H A 0091 ASN N 2.914 H A 0087 THR O
H A 0091 ASN N 3.168 H A 0088 GLU O
H A 0091 ASN N 2.817 H A 0089 GLU O
H A 0091 ASN N 2.201 H A 0090 ASN O
H A 0092 ARG N 3.108 H A 0088 GLU O
H A 0092 ARG N 2.708 H A 0089 GLU O
H A 0092 ARG N 2.199 H A 0091 ASN O
H A 0093 LEU N 2.661 H A 0089 GLU O
H A 0093 LEU N 2.201 H A 0092 ARG O
H A 0094 LYS N 3.171 H A 0090 ASN O
H A 0094 LYS N 2.750 H A 0092 ARG O
H A 0094 LYS N 2.198 H A 0093 LEU O
H A 0095 ALA N 2.577 H A 0092 ARG O
H A 0095 ALA N 2.199 H A 0094 LYS O
H A 0096 LEU N 2.694 H A 0092 ARG O
H A 0096 LEU N 2.197 H A 0095 ALA O
H A 0097 LEU N 2.198 H A 0096 LEU O
C A 0098 LEU N 2.197 H A 0097 LEU O
C A 0099 GLU N 2.195 C A 0098 LEU O
C A 0100 ARG N 2.195 C A 0099 GLU O
HB_MS 2.00 3.20 6
C A 0047 GLY N 3.080 C A 0062 TYR OH
C A 0047 GLY O 2.501 C A 0062 TYR OH
C A 0056 SER O 2.487 C A 0057 ASN ND2
C A 0067 LYS N 2.903 C A 0066 SER OG
H A 0076 LEU O 2.528 H A 0080 GLN NE2
H A 0087 THR O 3.007 H A 0091 ASN ND2
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 61
E A 0069 ILE CG2 3.456 E B 0071 VAL CG2
E A 0069 ILE CB 3.361 E B 0072 SER C
E A 0069 ILE CG2 3.604 E B 0072 SER C
E A 0069 ILE CB 3.451 H B 0073 THR CA
E A 0069 ILE CD1 3.568 H B 0073 THR CA
E A 0069 ILE CD1 3.673 H B 0073 THR CB
E A 0069 ILE CG1 3.553 H B 0076 LEU CD2
E A 0071 VAL CG2 3.455 E B 0069 ILE CG2
E A 0072 SER C 3.358 E B 0069 ILE CB
E A 0072 SER C 3.603 E B 0069 ILE CG2
H A 0073 THR CA 3.449 E B 0069 ILE CB
H A 0073 THR CA 3.559 E B 0069 ILE CD1
H A 0073 THR CB 3.666 E B 0069 ILE CD1
H A 0075 TYR CD1 3.494 H B 0076 LEU CD1
H A 0076 LEU CD2 3.551 E B 0069 ILE CG1
H A 0076 LEU CD1 3.492 H B 0075 TYR CD1
H A 0076 LEU CG 3.781 H B 0076 LEU CD2
H A 0076 LEU CD1 3.488 H B 0076 LEU CD2
H A 0076 LEU CD2 3.781 H B 0076 LEU CG
H A 0076 LEU CD2 3.487 H B 0076 LEU CD1
H A 0076 LEU CD2 2.948 H B 0076 LEU CD2
H A 0079 LEU CG 3.443 H B 0080 GLN CD
H A 0079 LEU CD1 3.789 H B 0080 GLN CA
H A 0079 LEU CD1 3.118 H B 0080 GLN CG
H A 0079 LEU CD1 2.937 H B 0080 GLN CD
H A 0080 GLN CA 3.782 H B 0079 LEU CD1
H A 0080 GLN CG 3.114 H B 0079 LEU CD1
H A 0080 GLN CD 3.439 H B 0079 LEU CG
H A 0080 GLN CD 2.933 H B 0079 LEU CD1
H A 0082 ASP C 3.215 H B 0083 LEU CD1
H A 0082 ASP CB 3.306 H B 0083 LEU CD1
H A 0082 ASP CG 3.487 H B 0083 LEU CD1
H A 0083 LEU CD1 3.216 H B 0082 ASP C
H A 0083 LEU CD1 3.302 H B 0082 ASP CB
H A 0083 LEU CD1 3.487 H B 0082 ASP CG
H A 0083 LEU CA 3.415 H B 0083 LEU CG
H A 0083 LEU CA 3.138 H B 0083 LEU CD1
H A 0083 LEU CB 3.555 H B 0083 LEU CB
H A 0083 LEU CB 3.772 H B 0083 LEU CG
H A 0083 LEU CB 3.544 H B 0083 LEU CD1
H A 0083 LEU CG 3.413 H B 0083 LEU CA
H A 0083 LEU CG 3.771 H B 0083 LEU CB
H A 0083 LEU CD1 3.139 H B 0083 LEU CA
H A 0083 LEU CD1 3.545 H B 0083 LEU CB
H A 0086 LYS CB 3.206 H B 0086 LYS CB
H A 0090 ASN CA 3.566 H B 0090 ASN CG
H A 0090 ASN CB 3.736 H B 0090 ASN CG
H A 0090 ASN CG 3.567 H B 0090 ASN CA
H A 0090 ASN CG 3.735 H B 0090 ASN CB
H A 0090 ASN CG 2.980 H B 0090 ASN CG
H A 0093 LEU CD2 3.083 H B 0093 LEU CD2
H A 0093 LEU CD2 3.430 H B 0094 LYS CA
H A 0093 LEU CD2 3.358 H B 0094 LYS CB
H A 0094 LYS CA 3.429 H B 0093 LEU CD2
H A 0094 LYS CB 3.357 H B 0093 LEU CD2
H A 0094 LYS CG 3.259 H B 0097 LEU CD1
H A 0097 LEU CD1 3.258 H B 0094 LYS CG
H A 0097 LEU CD1 3.596 C B 0098 LEU CD1
H A 0097 LEU CD2 3.525 C B 0098 LEU CD1
C A 0098 LEU CD1 3.587 H B 0097 LEU CD1
C A 0098 LEU CD1 3.517 H B 0097 LEU CD2
CHARGE_ATTR 2.00 12.00 10
H A 0085 ASP OD1 11.94 H B 0086 LYS NZ
H A 0086 LYS NZ 11.95 H B 0085 ASP OD1
H A 0086 LYS NZ 11.05 H B 0088 GLU OE1
H A 0086 LYS NZ 11.64 H B 0088 GLU OE2
H A 0086 LYS NZ 11.97 H B 0089 GLU OE1
H A 0086 LYS NZ 11.67 H B 0089 GLU OE2
H A 0088 GLU OE1 11.04 H B 0086 LYS NZ
H A 0088 GLU OE2 11.63 H B 0086 LYS NZ
H A 0089 GLU OE1 11.96 H B 0086 LYS NZ
H A 0089 GLU OE2 11.66 H B 0086 LYS NZ
CHARGE_REPU 2.00 12.00 8
H A 0082 ASP OD2 10.66 H B 0082 ASP OD2
H A 0086 LYS NZ 11.49 H B 0086 LYS NZ
H A 0086 LYS NZ 11.81 H B 0094 LYS NZ
H A 0094 LYS NZ 11.80 H B 0086 LYS NZ
H A 0094 LYS NZ 10.95 C B 0100 ARG NH1
H A 0094 LYS NZ 10.49 C B 0100 ARG NH2
C A 0100 ARG NH1 10.96 H B 0094 LYS NZ
C A 0100 ARG NH2 10.49 H B 0094 LYS NZ
HB_MS 2.00 3.20 2
H A 0086 LYS O 2.746 H B 0090 ASN ND2
H A 0090 ASN ND2 2.740 H B 0086 LYS O
HB_SS 2.00 3.20 2
H A 0086 LYS NZ 3.190 H B 0087 THR OG1
H A 0087 THR OG1 3.181 H B 0086 LYS NZ
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 262
C B 0030 MET C 2.424 C B 0031 SER CA
C B 0030 MET C 3.141 C B 0031 SER C
C B 0030 MET C 3.616 C B 0031 SER CB
C B 0031 SER C 2.425 C B 0032 VAL CA
C B 0031 SER C 3.035 C B 0032 VAL C
C B 0031 SER C 3.637 C B 0032 VAL CB
C B 0032 VAL C 2.425 C B 0033 ALA CA
C B 0032 VAL C 3.629 C B 0033 ALA C
C B 0032 VAL C 3.197 C B 0033 ALA CB
C B 0033 ALA C 2.423 C B 0034 CYS CA
C B 0033 ALA C 3.011 C B 0034 CYS C
C B 0033 ALA C 3.640 C B 0034 CYS CB
C B 0033 ALA CB 3.402 H B 0037 CYS CB
C B 0033 ALA CA 3.687 C B 0044 CYS CB
C B 0033 ALA C 3.464 C B 0062 TYR CE1
C B 0034 CYS C 2.418 H B 0035 LEU CA
C B 0034 CYS C 3.021 H B 0035 LEU C
C B 0034 CYS C 3.633 H B 0035 LEU CB
C B 0034 CYS CA 3.591 C B 0062 TYR CE1
H B 0035 LEU C 2.417 H B 0036 SER CA
H B 0035 LEU C 3.080 H B 0036 SER C
H B 0035 LEU C 3.621 H B 0036 SER CB
H B 0036 SER C 2.421 H B 0037 CYS CA
H B 0036 SER C 3.023 H B 0037 CYS C
H B 0036 SER C 3.639 H B 0037 CYS CB
H B 0036 SER CB 3.532 C B 0058 ALA CB
H B 0037 CYS C 2.426 H B 0038 ARG CA
H B 0037 CYS C 3.117 H B 0038 ARG C
H B 0037 CYS C 3.625 H B 0038 ARG CB
H B 0037 CYS CA 3.698 C B 0042 ILE CB
H B 0037 CYS CA 3.770 C B 0042 ILE CG1
H B 0037 CYS CA 3.609 C B 0042 ILE CD1
H B 0037 CYS CB 3.776 C B 0042 ILE CB
H B 0038 ARG C 2.423 H B 0039 LYS CA
H B 0038 ARG C 2.986 H B 0039 LYS C
H B 0038 ARG C 3.639 H B 0039 LYS CB
H B 0039 LYS C 2.425 H B 0040 ARG CA
H B 0039 LYS C 3.362 H B 0040 ARG C
H B 0039 LYS C 3.514 H B 0040 ARG CB
H B 0039 LYS C 3.566 H B 0040 ARG CG
H B 0039 LYS CD 3.003 H B 0040 ARG CG
H B 0040 ARG C 2.424 C B 0041 HIS CA
H B 0040 ARG C 2.933 C B 0041 HIS C
H B 0040 ARG C 2.916 C B 0041 HIS CB
H B 0040 ARG CB 3.709 C B 0042 ILE CG1
C B 0041 HIS C 2.423 C B 0042 ILE CA
C B 0041 HIS C 3.313 C B 0042 ILE C
C B 0041 HIS C 3.540 C B 0042 ILE CB
C B 0041 HIS C 3.635 C B 0042 ILE CG1
C B 0042 ILE C 2.422 C B 0043 LYS CA
C B 0042 ILE C 3.131 C B 0043 LYS C
C B 0042 ILE C 3.617 C B 0043 LYS CB
C B 0042 ILE CG2 3.460 H B 0052 LYS CE
C B 0043 LYS C 2.424 C B 0044 CYS CA
C B 0043 LYS C 2.943 C B 0044 CYS C
C B 0043 LYS C 3.635 C B 0044 CYS CB
C B 0044 CYS CA 2.846 C B 0045 PRO CD
C B 0044 CYS C 2.434 C B 0045 PRO CA
C B 0044 CYS C 3.011 C B 0045 PRO C
C B 0044 CYS C 3.628 C B 0045 PRO CB
C B 0044 CYS C 3.643 C B 0045 PRO CG
C B 0044 CYS C 2.472 C B 0045 PRO CD
C B 0044 CYS CB 3.751 C B 0045 PRO CD
C B 0045 PRO C 2.422 C B 0046 GLY CA
C B 0045 PRO C 3.627 C B 0046 GLY C
C B 0045 PRO CG 3.411 C B 0051 GLN CB
C B 0045 PRO CD 3.595 H B 0052 LYS CG
C B 0046 GLY C 2.422 C B 0047 GLY CA
C B 0046 GLY C 3.692 C B 0047 GLY C
C B 0047 GLY C 2.425 C B 0048 ASN CA
C B 0047 GLY C 3.659 C B 0048 ASN C
C B 0047 GLY C 3.158 C B 0048 ASN CB
C B 0047 GLY C 3.522 C B 0048 ASN CG
C B 0047 GLY C 3.471 C B 0049 PRO C
C B 0047 GLY C 3.693 C B 0050 CYS CA
C B 0048 ASN CA 2.839 C B 0049 PRO CA
C B 0048 ASN CA 3.036 C B 0049 PRO C
C B 0048 ASN C 2.473 C B 0049 PRO CA
C B 0048 ASN C 3.094 C B 0049 PRO C
C B 0048 ASN C 3.639 C B 0049 PRO CB
C B 0048 ASN C 3.620 C B 0049 PRO CG
C B 0048 ASN C 2.431 C B 0049 PRO CD
C B 0048 ASN CG 3.529 C B 0062 TYR CD2
C B 0048 ASN CG 3.490 C B 0062 TYR CE2
C B 0049 PRO C 2.424 C B 0050 CYS CA
C B 0049 PRO C 3.006 C B 0050 CYS C
C B 0049 PRO C 3.644 C B 0050 CYS CB
C B 0049 PRO CB 3.473 H B 0054 VAL CG2
C B 0049 PRO CA 3.726 C B 0060 CYS CB
C B 0049 PRO CB 3.616 C B 0060 CYS CB
C B 0050 CYS C 2.419 C B 0051 GLN CA
C B 0050 CYS C 3.613 C B 0051 GLN C
C B 0050 CYS C 3.234 C B 0051 GLN CB
C B 0050 CYS C 3.548 H B 0054 VAL CG2
C B 0051 GLN C 2.427 H B 0052 LYS CA
C B 0051 GLN C 2.981 H B 0052 LYS C
C B 0051 GLN C 3.639 H B 0052 LYS CB
C B 0051 GLN C 3.644 H B 0055 THR CG2
H B 0052 LYS C 2.410 H B 0053 CYS CA
H B 0052 LYS C 3.268 H B 0053 CYS C
H B 0052 LYS C 3.521 H B 0053 CYS CB
H B 0052 LYS CA 3.342 H B 0055 THR CG2
H B 0052 LYS C 3.143 H B 0055 THR CG2
H B 0053 CYS C 2.412 H B 0054 VAL CA
H B 0053 CYS C 2.949 H B 0054 VAL C
H B 0053 CYS C 3.666 H B 0054 VAL CB
H B 0054 VAL CA 3.797 H B 0055 THR CA
H B 0054 VAL C 2.423 H B 0055 THR CA
H B 0054 VAL C 3.123 H B 0055 THR C
H B 0054 VAL C 3.611 H B 0055 THR CB
H B 0055 THR C 2.413 C B 0056 SER CA
H B 0055 THR C 3.158 C B 0056 SER C
H B 0055 THR C 3.596 C B 0056 SER CB
C B 0056 SER C 2.435 C B 0057 ASN CA
C B 0056 SER C 3.701 C B 0057 ASN C
C B 0056 SER C 2.876 C B 0057 ASN CB
C B 0056 SER C 3.104 C B 0057 ASN CG
C B 0057 ASN C 2.412 C B 0058 ALA CA
C B 0057 ASN C 3.480 C B 0058 ALA C
C B 0057 ASN C 3.391 C B 0058 ALA CB
C B 0058 ALA C 2.420 C B 0059 ILE CA
C B 0058 ALA C 3.136 C B 0059 ILE C
C B 0058 ALA C 3.618 C B 0059 ILE CB
C B 0059 ILE C 2.416 C B 0060 CYS CA
C B 0059 ILE C 3.377 C B 0060 CYS C
C B 0059 ILE C 3.497 C B 0060 CYS CB
C B 0060 CYS C 2.422 C B 0061 GLU CA
C B 0060 CYS C 3.619 C B 0061 GLU C
C B 0060 CYS C 3.219 C B 0061 GLU CB
C B 0060 CYS C 3.639 C B 0061 GLU CG
C B 0061 GLU C 2.426 C B 0062 TYR CA
C B 0061 GLU C 3.479 C B 0062 TYR C
C B 0061 GLU C 3.418 C B 0062 TYR CB
C B 0061 GLU C 3.449 C B 0062 TYR CG
C B 0061 GLU C 3.434 C B 0062 TYR CD1
C B 0062 TYR C 2.421 C B 0063 LEU CA
C B 0062 TYR C 3.507 C B 0063 LEU C
C B 0062 TYR C 3.378 C B 0063 LEU CB
C B 0062 TYR C 3.403 C B 0063 LEU CD2
C B 0063 LEU C 2.425 C B 0064 GLU CA
C B 0063 LEU C 3.569 C B 0064 GLU C
C B 0063 LEU C 3.307 C B 0064 GLU CB
C B 0063 LEU C 3.394 C B 0065 PRO CD
C B 0064 GLU CA 2.812 C B 0065 PRO CD
C B 0064 GLU C 2.436 C B 0065 PRO CA
C B 0064 GLU C 3.008 C B 0065 PRO C
C B 0064 GLU C 3.625 C B 0065 PRO CB
C B 0064 GLU C 3.639 C B 0065 PRO CG
C B 0064 GLU C 2.462 C B 0065 PRO CD
C B 0065 PRO C 2.425 C B 0066 SER CA
C B 0065 PRO C 3.304 C B 0066 SER C
C B 0065 PRO C 3.545 C B 0066 SER CB
C B 0066 SER C 2.438 C B 0067 LYS CA
C B 0066 SER C 2.901 C B 0067 LYS C
C B 0066 SER C 3.641 C B 0067 LYS CB
C B 0067 LYS C 2.431 C B 0068 LYS CA
C B 0067 LYS C 2.949 C B 0068 LYS C
C B 0067 LYS C 2.919 C B 0068 LYS CB
C B 0067 LYS C 3.410 C B 0068 LYS CG
C B 0068 LYS C 2.421 E B 0069 ILE CA
C B 0068 LYS C 3.299 E B 0069 ILE C
C B 0068 LYS C 3.553 E B 0069 ILE CB
E B 0069 ILE C 2.422 E B 0070 VAL CA
E B 0069 ILE C 3.642 E B 0070 VAL C
E B 0069 ILE C 3.180 E B 0070 VAL CB
E B 0069 ILE C 2.881 E B 0070 VAL CG2
E B 0070 VAL C 2.428 E B 0071 VAL CA
E B 0070 VAL C 3.700 E B 0071 VAL C
E B 0070 VAL C 3.069 E B 0071 VAL CB
E B 0070 VAL C 3.238 E B 0071 VAL CG1
E B 0070 VAL C 3.209 E B 0071 VAL CG2
E B 0071 VAL C 2.420 E B 0072 SER CA
E B 0071 VAL C 3.646 E B 0072 SER C
E B 0071 VAL C 3.177 E B 0072 SER CB
E B 0072 SER C 2.427 H B 0073 THR CA
E B 0072 SER C 2.982 H B 0073 THR C
E B 0072 SER C 3.647 H B 0073 THR CB
H B 0073 THR C 2.422 H B 0074 LYS CA
H B 0073 THR C 2.895 H B 0074 LYS C
H B 0073 THR C 3.638 H B 0074 LYS CB
H B 0074 LYS C 2.428 H B 0075 TYR CA
H B 0074 LYS C 2.971 H B 0075 TYR C
H B 0074 LYS C 3.635 H B 0075 TYR CB
H B 0075 TYR C 2.427 H B 0076 LEU CA
H B 0075 TYR C 2.971 H B 0076 LEU C
H B 0075 TYR C 3.635 H B 0076 LEU CB
H B 0076 LEU C 2.425 H B 0077 GLN CA
H B 0076 LEU C 3.012 H B 0077 GLN C
H B 0076 LEU C 3.637 H B 0077 GLN CB
H B 0077 GLN C 2.423 H B 0078 GLN CA
H B 0077 GLN C 2.922 H B 0078 GLN C
H B 0077 GLN C 3.635 H B 0078 GLN CB
H B 0078 GLN C 2.425 H B 0079 LEU CA
H B 0078 GLN C 3.181 H B 0079 LEU C
H B 0078 GLN C 3.600 H B 0079 LEU CB
H B 0078 GLN C 3.433 H B 0079 LEU CD2
H B 0079 LEU C 2.417 H B 0080 GLN CA
H B 0079 LEU C 3.120 H B 0080 GLN C
H B 0079 LEU C 3.604 H B 0080 GLN CB
H B 0080 GLN C 2.423 H B 0081 LYS CA
H B 0080 GLN C 3.146 H B 0081 LYS C
H B 0080 GLN C 3.612 H B 0081 LYS CB
H B 0081 LYS C 2.419 H B 0082 ASP CA
H B 0081 LYS C 2.884 H B 0082 ASP C
H B 0081 LYS C 3.641 H B 0082 ASP CB
H B 0082 ASP C 2.423 H B 0083 LEU CA
H B 0082 ASP C 2.968 H B 0083 LEU C
H B 0082 ASP C 3.639 H B 0083 LEU CB
H B 0083 LEU C 2.422 H B 0084 ASN CA
H B 0083 LEU C 3.013 H B 0084 ASN C
H B 0083 LEU C 3.633 H B 0084 ASN CB
H B 0084 ASN C 2.419 H B 0085 ASP CA
H B 0084 ASN C 3.004 H B 0085 ASP C
H B 0084 ASN C 3.640 H B 0085 ASP CB
H B 0085 ASP C 2.418 H B 0086 LYS CA
H B 0085 ASP C 3.090 H B 0086 LYS C
H B 0085 ASP C 3.618 H B 0086 LYS CB
H B 0086 LYS C 2.425 H B 0087 THR CA
H B 0086 LYS C 3.083 H B 0087 THR C
H B 0086 LYS C 3.612 H B 0087 THR CB
H B 0087 THR C 2.423 H B 0088 GLU CA
H B 0087 THR C 2.946 H B 0088 GLU C
H B 0087 THR C 3.645 H B 0088 GLU CB
H B 0088 GLU C 2.420 H B 0089 GLU CA
H B 0088 GLU C 3.013 H B 0089 GLU C
H B 0088 GLU C 3.633 H B 0089 GLU CB
H B 0088 GLU C 3.725 H B 0091 ASN CB
H B 0089 GLU C 2.426 H B 0090 ASN CA
H B 0089 GLU C 2.895 H B 0090 ASN C
H B 0089 GLU C 3.638 H B 0090 ASN CB
H B 0090 ASN C 2.425 H B 0091 ASN CA
H B 0090 ASN C 3.084 H B 0091 ASN C
H B 0090 ASN C 3.619 H B 0091 ASN CB
H B 0091 ASN C 2.424 H B 0092 ARG CA
H B 0091 ASN C 3.142 H B 0092 ARG C
H B 0091 ASN C 3.612 H B 0092 ARG CB
H B 0092 ARG C 2.430 H B 0093 LEU CA
H B 0092 ARG C 2.887 H B 0093 LEU C
H B 0092 ARG C 3.631 H B 0093 LEU CB
H B 0092 ARG CG 3.407 H B 0096 LEU CD1
H B 0093 LEU C 2.420 H B 0094 LYS CA
H B 0093 LEU C 3.077 H B 0094 LYS C
H B 0093 LEU C 3.627 H B 0094 LYS CB
H B 0094 LYS C 2.421 H B 0095 ALA CA
H B 0094 LYS C 3.279 H B 0095 ALA C
H B 0094 LYS C 3.561 H B 0095 ALA CB
H B 0095 ALA C 2.424 H B 0096 LEU CA
H B 0095 ALA C 3.371 H B 0096 LEU C
H B 0095 ALA C 3.501 H B 0096 LEU CB
H B 0096 LEU C 2.423 H B 0097 LEU CA
H B 0096 LEU C 3.405 H B 0097 LEU C
H B 0096 LEU C 3.474 H B 0097 LEU CB
H B 0096 LEU C 3.596 H B 0097 LEU CG
H B 0097 LEU C 2.418 C B 0098 LEU CA
H B 0097 LEU C 3.016 C B 0098 LEU C
H B 0097 LEU C 3.626 C B 0098 LEU CB
C B 0098 LEU C 2.422 C B 0099 GLU CA
C B 0098 LEU C 3.255 C B 0099 GLU C
C B 0098 LEU C 3.571 C B 0099 GLU CB
C B 0099 GLU C 2.422 C B 0100 ARG CA
C B 0099 GLU C 3.543 C B 0100 ARG C
C B 0099 GLU C 3.333 C B 0100 ARG CB
CHARGE_ATTR 2.00 12.00 38
C B 0061 GLU OE1 10.38 C B 0067 LYS NZ
C B 0061 GLU OE2 11.44 C B 0067 LYS NZ
C B 0064 GLU OE1 8.816 H B 0038 ARG NH1
C B 0064 GLU OE1 9.163 H B 0038 ARG NH2
C B 0064 GLU OE2 10.39 H B 0038 ARG NH1
C B 0064 GLU OE2 10.35 H B 0038 ARG NH2
C B 0064 GLU OE1 11.79 C B 0041 HIS NE2
C B 0064 GLU OE2 10.88 C B 0067 LYS NZ
C B 0064 GLU OE1 11.56 C B 0068 LYS NZ
C B 0064 GLU OE2 10.14 C B 0068 LYS NZ
H B 0082 ASP OD1 11.15 H B 0081 LYS NZ
H B 0082 ASP OD1 6.006 H B 0086 LYS NZ
H B 0082 ASP OD2 5.482 H B 0086 LYS NZ
H B 0085 ASP OD1 10.32 H B 0081 LYS NZ
H B 0085 ASP OD2 8.645 H B 0081 LYS NZ
H B 0085 ASP OD1 7.524 H B 0086 LYS NZ
H B 0085 ASP OD2 8.637 H B 0086 LYS NZ
H B 0085 ASP OD1 10.65 H B 0092 ARG NH1
H B 0085 ASP OD2 12.00 H B 0092 ARG NH1
H B 0088 GLU OE1 7.794 H B 0081 LYS NZ
H B 0088 GLU OE2 8.050 H B 0081 LYS NZ
H B 0088 GLU OE1 11.10 H B 0086 LYS NZ
H B 0088 GLU OE1 9.603 H B 0092 ARG NH1
H B 0088 GLU OE1 11.69 H B 0092 ARG NH2
H B 0088 GLU OE2 8.871 H B 0092 ARG NH1
H B 0088 GLU OE2 11.08 H B 0092 ARG NH2
H B 0089 GLU OE1 8.097 H B 0086 LYS NZ
H B 0089 GLU OE2 6.130 H B 0086 LYS NZ
H B 0089 GLU OE1 8.174 H B 0092 ARG NH1
H B 0089 GLU OE1 9.532 H B 0092 ARG NH2
H B 0089 GLU OE2 10.32 H B 0092 ARG NH1
H B 0089 GLU OE2 11.60 H B 0092 ARG NH2
C B 0099 GLU OE1 11.77 H B 0092 ARG NH2
C B 0099 GLU OE2 10.41 H B 0092 ARG NH2
C B 0099 GLU OE1 10.32 C B 0100 ARG NH1
C B 0099 GLU OE1 9.702 C B 0100 ARG NH2
C B 0099 GLU OE2 11.76 C B 0100 ARG NH1
C B 0099 GLU OE2 10.80 C B 0100 ARG NH2
CHARGE_REPU 2.00 12.00 39
H B 0038 ARG NH1 6.320 C B 0041 HIS ND1
H B 0038 ARG NH1 4.909 C B 0041 HIS NE2
H B 0038 ARG NH2 5.262 C B 0041 HIS ND1
H B 0038 ARG NH2 3.327 C B 0041 HIS NE2
H B 0038 ARG NH1 9.690 C B 0043 LYS NZ
H B 0038 ARG NH2 11.07 C B 0043 LYS NZ
H B 0039 LYS NZ 4.961 H B 0040 ARG NH1
H B 0039 LYS NZ 6.475 H B 0040 ARG NH2
H B 0039 LYS NZ 11.68 C B 0041 HIS NE2
C B 0041 HIS ND1 9.577 C B 0043 LYS NZ
C B 0041 HIS NE2 10.66 C B 0043 LYS NZ
C B 0043 LYS NZ 9.449 H B 0052 LYS NZ
C B 0061 GLU OE1 8.534 C B 0064 GLU OE1
C B 0061 GLU OE1 8.601 C B 0064 GLU OE2
C B 0061 GLU OE2 10.02 C B 0064 GLU OE1
C B 0061 GLU OE2 9.998 C B 0064 GLU OE2
H B 0082 ASP OD1 6.342 H B 0085 ASP OD1
H B 0082 ASP OD1 5.729 H B 0085 ASP OD2
H B 0082 ASP OD2 7.816 H B 0085 ASP OD1
H B 0082 ASP OD2 7.486 H B 0085 ASP OD2
H B 0082 ASP OD1 9.354 H B 0088 GLU OE1
H B 0082 ASP OD1 11.48 H B 0088 GLU OE2
H B 0082 ASP OD2 10.60 H B 0088 GLU OE1
H B 0082 ASP OD1 8.977 H B 0089 GLU OE1
H B 0082 ASP OD1 7.045 H B 0089 GLU OE2
H B 0082 ASP OD2 10.14 H B 0089 GLU OE1
H B 0082 ASP OD2 8.137 H B 0089 GLU OE2
H B 0085 ASP OD1 4.404 H B 0088 GLU OE1
H B 0085 ASP OD1 6.415 H B 0088 GLU OE2
H B 0085 ASP OD2 4.383 H B 0088 GLU OE1
H B 0085 ASP OD2 6.419 H B 0088 GLU OE2
H B 0085 ASP OD1 3.166 H B 0089 GLU OE1
H B 0085 ASP OD1 2.431 H B 0089 GLU OE2
H B 0085 ASP OD2 5.217 H B 0089 GLU OE1
H B 0085 ASP OD2 4.506 H B 0089 GLU OE2
H B 0088 GLU OE1 5.411 H B 0089 GLU OE1
H B 0088 GLU OE1 6.117 H B 0089 GLU OE2
H B 0088 GLU OE2 6.793 H B 0089 GLU OE1
H B 0088 GLU OE2 7.921 H B 0089 GLU OE2
HB_MM 2.00 3.20 120
C B 0031 SER N 2.196 C B 0030 MET O
C B 0032 VAL N 2.795 C B 0030 MET O
C B 0032 VAL N 2.196 C B 0031 SER O
C B 0033 ALA N 2.196 C B 0032 VAL O
C B 0034 CYS N 2.196 C B 0033 ALA O
H B 0035 LEU N 2.195 C B 0034 CYS O
H B 0036 SER N 2.193 H B 0035 LEU O
H B 0037 CYS N 2.199 H B 0036 SER O
H B 0038 ARG N 2.794 C B 0034 CYS O
H B 0038 ARG N 2.199 H B 0037 CYS O
H B 0039 LYS N 3.100 H B 0035 LEU O
H B 0039 LYS N 2.197 H B 0038 ARG O
H B 0040 ARG N 2.197 H B 0039 LYS O
C B 0041 HIS N 2.721 H B 0037 CYS O
C B 0041 HIS N 3.190 H B 0038 ARG O
C B 0041 HIS N 2.198 H B 0040 ARG O
C B 0042 ILE N 2.545 H B 0037 CYS O
C B 0042 ILE N 2.198 C B 0041 HIS O
C B 0043 LYS N 2.196 C B 0042 ILE O
C B 0044 CYS N 2.871 C B 0042 ILE O
C B 0044 CYS N 2.197 C B 0043 LYS O
C B 0045 PRO N 2.230 C B 0044 CYS O
C B 0046 GLY N 2.197 C B 0045 PRO O
C B 0047 GLY N 2.197 C B 0046 GLY O
C B 0048 ASN N 2.197 C B 0047 GLY O
C B 0048 ASN N 3.068 C B 0049 PRO O
C B 0049 PRO N 2.229 C B 0048 ASN O
C B 0050 CYS N 2.197 C B 0049 PRO O
C B 0051 GLN N 2.194 C B 0050 CYS O
H B 0052 LYS N 2.193 C B 0051 GLN O
H B 0053 CYS N 2.988 C B 0051 GLN O
H B 0053 CYS N 2.190 H B 0052 LYS O
H B 0054 VAL N 2.199 H B 0053 CYS O
H B 0055 THR N 2.762 C B 0051 GLN O
H B 0055 THR N 3.183 H B 0053 CYS O
H B 0055 THR N 2.203 H B 0054 VAL O
C B 0056 SER N 3.126 H B 0053 CYS O
C B 0056 SER N 2.197 H B 0055 THR O
C B 0057 ASN N 2.932 H B 0053 CYS O
C B 0057 ASN N 2.202 C B 0056 SER O
C B 0058 ALA N 3.106 H B 0053 CYS O
C B 0058 ALA N 2.190 C B 0057 ASN O
C B 0059 ILE N 2.198 C B 0058 ALA O
C B 0060 CYS N 2.189 C B 0059 ILE O
C B 0061 GLU N 2.195 C B 0060 CYS O
C B 0062 TYR N 2.198 C B 0061 GLU O
C B 0063 LEU N 2.195 C B 0062 TYR O
C B 0064 GLU N 2.197 C B 0063 LEU O
C B 0065 PRO N 2.232 C B 0064 GLU O
C B 0066 SER N 2.197 C B 0065 PRO O
C B 0067 LYS N 2.202 C B 0066 SER O
C B 0068 LYS N 2.199 C B 0067 LYS O
E B 0069 ILE N 2.195 C B 0068 LYS O
E B 0070 VAL N 2.194 E B 0069 ILE O
E B 0071 VAL N 2.196 E B 0070 VAL O
E B 0072 SER N 2.194 E B 0071 VAL O
H B 0073 THR N 2.199 E B 0072 SER O
H B 0074 LYS N 2.199 H B 0073 THR O
H B 0075 TYR N 2.902 E B 0072 SER O
H B 0075 TYR N 2.855 H B 0073 THR O
H B 0075 TYR N 2.203 H B 0074 LYS O
H B 0076 LEU N 2.826 H B 0073 THR O
H B 0076 LEU N 2.200 H B 0075 TYR O
H B 0077 GLN N 3.198 H B 0073 THR O
H B 0077 GLN N 2.198 H B 0076 LEU O
H B 0078 GLN N 2.777 H B 0074 LYS O
H B 0078 GLN N 2.194 H B 0077 GLN O
H B 0079 LEU N 3.167 H B 0075 TYR O
H B 0079 LEU N 3.196 H B 0076 LEU O
H B 0079 LEU N 2.960 H B 0077 GLN O
H B 0079 LEU N 2.196 H B 0078 GLN O
H B 0080 GLN N 2.896 H B 0076 LEU O
H B 0080 GLN N 2.845 H B 0077 GLN O
H B 0080 GLN N 2.195 H B 0079 LEU O
H B 0081 LYS N 2.696 H B 0077 GLN O
H B 0081 LYS N 2.198 H B 0080 GLN O
H B 0082 ASP N 3.053 H B 0078 GLN O
H B 0082 ASP N 2.198 H B 0081 LYS O
H B 0083 LEU N 3.200 H B 0079 LEU O
H B 0083 LEU N 3.064 H B 0081 LYS O
H B 0083 LEU N 2.202 H B 0082 ASP O
H B 0084 ASN N 2.772 H B 0081 LYS O
H B 0084 ASN N 2.200 H B 0083 LEU O
H B 0085 ASP N 2.795 H B 0081 LYS O
H B 0085 ASP N 3.035 H B 0082 ASP O
H B 0085 ASP N 2.199 H B 0084 ASN O
H B 0086 LYS N 3.167 H B 0082 ASP O
H B 0086 LYS N 3.014 H B 0083 LEU O
H B 0086 LYS N 3.076 H B 0084 ASN O
H B 0086 LYS N 2.198 H B 0085 ASP O
H B 0087 THR N 2.889 H B 0084 ASN O
H B 0087 THR N 2.205 H B 0086 LYS O
H B 0088 GLU N 2.804 H B 0084 ASN O
H B 0088 GLU N 2.203 H B 0087 THR O
H B 0089 GLU N 3.015 H B 0085 ASP O
H B 0089 GLU N 3.178 H B 0087 THR O
H B 0089 GLU N 2.201 H B 0088 GLU O
H B 0090 ASN N 2.884 H B 0086 LYS O
H B 0090 ASN N 3.130 H B 0087 THR O
H B 0090 ASN N 2.201 H B 0089 GLU O
H B 0091 ASN N 2.914 H B 0087 THR O
H B 0091 ASN N 3.170 H B 0088 GLU O
H B 0091 ASN N 2.817 H B 0089 GLU O
H B 0091 ASN N 2.200 H B 0090 ASN O
H B 0092 ARG N 3.110 H B 0088 GLU O
H B 0092 ARG N 2.709 H B 0089 GLU O
H B 0092 ARG N 2.200 H B 0091 ASN O
H B 0093 LEU N 2.660 H B 0089 GLU O
H B 0093 LEU N 2.202 H B 0092 ARG O
H B 0094 LYS N 3.172 H B 0090 ASN O
H B 0094 LYS N 2.751 H B 0092 ARG O
H B 0094 LYS N 2.200 H B 0093 LEU O
H B 0095 ALA N 2.577 H B 0092 ARG O
H B 0095 ALA N 2.198 H B 0094 LYS O
H B 0096 LEU N 2.692 H B 0092 ARG O
H B 0096 LEU N 2.197 H B 0095 ALA O
H B 0097 LEU N 2.199 H B 0096 LEU O
C B 0098 LEU N 2.198 H B 0097 LEU O
C B 0099 GLU N 2.195 C B 0098 LEU O
C B 0100 ARG N 2.196 C B 0099 GLU O
HB_MS 2.00 3.20 4
H B 0052 LYS O 3.024 C B 0056 SER OG
C B 0056 SER O 3.168 C B 0057 ASN ND2
H B 0076 LEU O 2.526 H B 0080 GLN NE2
H B 0087 THR O 3.007 H B 0091 ASN ND2
HB_SS 2.00 3.20 1
C B 0043 LYS NZ 2.838 C B 0031 SER OG
AROMATIC 0.00 8.00 1
H B 0038 ARG 4.404 C B 0041 HIS