Complet list of 1u96 con file
Complete list of 1u96.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 252
C A 0001 MET C 2.435 C A 0002 THR CA
C A 0001 MET C 3.199 C A 0002 THR C
C A 0001 MET C 3.697 C A 0002 THR CB
C A 0002 THR C 2.436 C A 0003 GLU CA
C A 0002 THR C 3.661 C A 0003 GLU C
C A 0002 THR C 3.234 C A 0003 GLU CB
C A 0003 GLU C 2.436 C A 0004 THR CA
C A 0003 GLU C 3.075 C A 0004 THR C
C A 0003 GLU C 3.733 C A 0004 THR CB
C A 0004 THR C 2.437 C A 0005 ASP CA
C A 0004 THR C 3.659 C A 0005 ASP C
C A 0004 THR C 3.243 C A 0005 ASP CB
C A 0005 ASP C 2.435 C A 0006 LYS CA
C A 0005 ASP C 3.668 C A 0006 LYS C
C A 0005 ASP C 3.202 C A 0006 LYS CB
C A 0006 LYS C 2.439 C A 0007 LYS CA
C A 0006 LYS C 3.008 C A 0007 LYS C
C A 0006 LYS C 3.718 C A 0007 LYS CB
C A 0007 LYS C 2.435 C A 0008 GLN CA
C A 0007 LYS C 3.228 C A 0008 GLN C
C A 0007 LYS C 3.662 C A 0008 GLN CB
C A 0008 GLN C 2.435 C A 0009 GLU CA
C A 0008 GLN C 3.150 C A 0009 GLU C
C A 0008 GLN C 3.687 C A 0009 GLU CB
C A 0009 GLU C 2.443 C A 0010 GLN CA
C A 0009 GLU C 3.010 C A 0010 GLN C
C A 0009 GLU C 3.022 C A 0010 GLN CB
C A 0010 GLN C 2.437 C A 0011 GLU CA
C A 0010 GLN C 3.318 C A 0011 GLU C
C A 0010 GLN C 3.619 C A 0011 GLU CB
C A 0011 GLU C 2.436 C A 0012 ASN CA
C A 0011 GLU C 3.270 C A 0012 ASN C
C A 0011 GLU C 3.643 C A 0012 ASN CB
C A 0012 ASN C 2.435 C A 0013 HIS CA
C A 0012 ASN C 3.052 C A 0013 HIS C
C A 0012 ASN C 3.709 C A 0013 HIS CB
C A 0013 HIS C 2.433 C A 0014 ALA CA
C A 0013 HIS C 3.512 C A 0014 ALA C
C A 0013 HIS C 3.444 C A 0014 ALA CB
C A 0014 ALA C 2.436 C A 0015 GLU CA
C A 0014 ALA C 3.712 C A 0015 GLU C
C A 0014 ALA C 3.071 C A 0015 GLU CB
C A 0014 ALA C 3.634 C A 0015 GLU CG
C A 0015 GLU C 2.444 C A 0016 CYS CA
C A 0015 GLU C 3.016 C A 0016 CYS C
C A 0015 GLU C 3.022 C A 0016 CYS CB
C A 0016 CYS C 2.438 C A 0017 GLU CA
C A 0016 CYS C 2.998 C A 0017 GLU C
C A 0016 CYS C 3.723 C A 0017 GLU CB
C A 0017 GLU C 2.444 C A 0018 ASP CA
C A 0017 GLU C 3.016 C A 0018 ASP C
C A 0017 GLU C 3.012 C A 0018 ASP CB
C A 0018 ASP C 2.444 C A 0019 LYS CA
C A 0018 ASP C 3.034 C A 0019 LYS C
C A 0018 ASP C 3.001 C A 0019 LYS CB
C A 0018 ASP C 3.502 C A 0019 LYS CG
C A 0019 LYS CA 2.932 C A 0020 PRO CD
C A 0019 LYS C 2.467 C A 0020 PRO CA
C A 0019 LYS C 3.180 C A 0020 PRO C
C A 0019 LYS C 3.641 C A 0020 PRO CB
C A 0019 LYS C 3.665 C A 0020 PRO CG
C A 0019 LYS C 2.517 C A 0020 PRO CD
C A 0020 PRO C 2.439 C A 0021 LYS CA
C A 0020 PRO C 3.625 C A 0021 LYS C
C A 0020 PRO C 3.277 C A 0021 LYS CB
C A 0020 PRO C 3.773 C A 0021 LYS CG
C A 0020 PRO C 3.379 C A 0022 PRO CD
C A 0020 PRO CG 3.733 C A 0064 GLU CG
C A 0020 PRO CD 3.537 C A 0066 PRO CD
C A 0021 LYS CA 2.886 C A 0022 PRO CD
C A 0021 LYS C 2.487 C A 0022 PRO CA
C A 0021 LYS C 2.896 C A 0022 PRO C
C A 0021 LYS C 3.560 C A 0022 PRO CB
C A 0021 LYS C 3.528 C A 0022 PRO CG
C A 0021 LYS C 2.495 C A 0022 PRO CD
C A 0022 PRO CA 3.799 C A 0023 CYS CA
C A 0022 PRO C 2.437 C A 0023 CYS CA
C A 0022 PRO C 3.072 C A 0023 CYS C
C A 0022 PRO C 3.710 C A 0023 CYS CB
C A 0023 CYS C 2.437 C A 0024 CYS CA
C A 0023 CYS C 3.189 C A 0024 CYS C
C A 0023 CYS C 3.683 C A 0024 CYS CB
C A 0023 CYS CB 3.797 C A 0063 PHE CZ
C A 0024 CYS C 2.432 C A 0025 VAL CA
C A 0024 CYS C 3.041 C A 0025 VAL C
C A 0024 CYS C 3.743 C A 0025 VAL CB
C A 0025 VAL C 2.436 C A 0026 CYS CA
C A 0025 VAL C 3.542 C A 0026 CYS C
C A 0025 VAL C 3.428 C A 0026 CYS CB
C A 0025 VAL CG1 3.787 C A 0063 PHE CB
C A 0026 CYS C 2.437 H A 0027 LYS CA
C A 0026 CYS C 3.717 H A 0027 LYS C
C A 0026 CYS C 3.132 H A 0027 LYS CB
C A 0026 CYS CB 3.495 H A 0058 MET CE
H A 0027 LYS CA 2.980 H A 0028 PRO CD
H A 0027 LYS C 2.475 H A 0028 PRO CA
H A 0027 LYS C 3.081 H A 0028 PRO C
H A 0027 LYS C 3.677 H A 0028 PRO CB
H A 0027 LYS C 3.635 H A 0028 PRO CG
H A 0027 LYS C 2.528 H A 0028 PRO CD
H A 0027 LYS CB 3.270 H A 0028 PRO CD
H A 0028 PRO C 2.435 H A 0029 GLU CA
H A 0028 PRO C 2.971 H A 0029 GLU C
H A 0028 PRO C 3.727 H A 0029 GLU CB
H A 0029 GLU C 2.433 H A 0030 LYS CA
H A 0029 GLU C 3.019 H A 0030 LYS C
H A 0029 GLU C 3.713 H A 0030 LYS CB
H A 0029 GLU CG 3.625 H A 0054 TYR CD1
H A 0030 LYS CA 3.798 H A 0031 GLU CA
H A 0030 LYS C 2.434 H A 0031 GLU CA
H A 0030 LYS C 3.040 H A 0031 GLU C
H A 0030 LYS C 3.708 H A 0031 GLU CB
H A 0031 GLU C 2.435 H A 0032 GLU CA
H A 0031 GLU C 3.047 H A 0032 GLU C
H A 0031 GLU C 3.714 H A 0032 GLU CB
H A 0032 GLU C 2.434 H A 0033 ARG CA
H A 0032 GLU C 3.071 H A 0033 ARG C
H A 0032 GLU C 3.707 H A 0033 ARG CB
H A 0033 ARG C 2.434 H A 0034 ASP CA
H A 0033 ARG C 3.005 H A 0034 ASP C
H A 0033 ARG C 3.714 H A 0034 ASP CB
H A 0034 ASP C 2.434 H A 0035 THR CA
H A 0034 ASP C 3.028 H A 0035 THR C
H A 0034 ASP C 3.736 H A 0035 THR CB
H A 0035 THR C 2.435 H A 0036 CYS CA
H A 0035 THR C 3.009 H A 0036 CYS C
H A 0035 THR C 3.713 H A 0036 CYS CB
H A 0035 THR CG2 3.717 H A 0039 PHE CD1
H A 0035 THR CG2 3.636 H A 0039 PHE CE1
H A 0036 CYS C 2.436 H A 0037 ILE CA
H A 0036 CYS C 3.126 H A 0037 ILE C
H A 0036 CYS C 3.719 H A 0037 ILE CB
H A 0037 ILE C 2.435 H A 0038 LEU CA
H A 0037 ILE C 3.098 H A 0038 LEU C
H A 0037 ILE C 3.702 H A 0038 LEU CB
H A 0037 ILE CG2 3.699 C A 0042 GLN CB
H A 0038 LEU C 2.437 H A 0039 PHE CA
H A 0038 LEU C 3.138 H A 0039 PHE C
H A 0038 LEU C 3.697 H A 0039 PHE CB
H A 0039 PHE C 2.432 H A 0040 ASN CA
H A 0039 PHE C 3.127 H A 0040 ASN C
H A 0039 PHE C 3.698 H A 0040 ASN CB
H A 0040 ASN CA 3.793 C A 0041 GLY CA
H A 0040 ASN C 2.419 C A 0041 GLY CA
H A 0040 ASN C 3.476 C A 0041 GLY C
C A 0041 GLY CA 3.797 C A 0042 GLN CA
C A 0041 GLY C 2.447 C A 0042 GLN CA
C A 0041 GLY C 3.061 C A 0042 GLN C
C A 0041 GLY C 3.007 C A 0042 GLN CB
C A 0041 GLY C 3.599 C A 0042 GLN CG
C A 0042 GLN C 2.438 C A 0043 ASP CA
C A 0042 GLN C 3.201 C A 0043 ASP C
C A 0042 GLN C 3.677 C A 0043 ASP CB
C A 0043 ASP C 2.438 H A 0044 SER CA
C A 0043 ASP C 3.423 H A 0044 SER C
C A 0043 ASP C 3.547 H A 0044 SER CB
H A 0044 SER C 2.443 H A 0045 GLU CA
H A 0044 SER C 2.993 H A 0045 GLU C
H A 0044 SER C 3.032 H A 0045 GLU CB
H A 0045 GLU C 2.444 H A 0046 LYS CA
H A 0045 GLU C 3.032 H A 0046 LYS C
H A 0045 GLU C 3.009 H A 0046 LYS CB
H A 0045 GLU C 3.651 H A 0046 LYS CG
H A 0046 LYS C 2.440 H A 0047 CYS CA
H A 0046 LYS C 2.961 H A 0047 CYS C
H A 0046 LYS C 3.059 H A 0047 CYS CB
H A 0047 CYS C 2.434 H A 0048 LYS CA
H A 0047 CYS C 3.084 H A 0048 LYS C
H A 0047 CYS C 3.707 H A 0048 LYS CB
H A 0048 LYS C 2.435 H A 0049 GLU CA
H A 0048 LYS C 2.995 H A 0049 GLU C
H A 0048 LYS C 3.716 H A 0049 GLU CB
H A 0049 GLU C 2.434 H A 0050 PHE CA
H A 0049 GLU C 3.065 H A 0050 PHE C
H A 0049 GLU C 3.708 H A 0050 PHE CB
H A 0050 PHE C 2.433 H A 0051 ILE CA
H A 0050 PHE C 3.038 H A 0051 ILE C
H A 0050 PHE C 3.733 H A 0051 ILE CB
H A 0051 ILE C 2.436 H A 0052 GLU CA
H A 0051 ILE C 3.077 H A 0052 GLU C
H A 0051 ILE C 3.710 H A 0052 GLU CB
H A 0052 GLU C 2.437 H A 0053 LYS CA
H A 0052 GLU C 2.968 H A 0053 LYS C
H A 0052 GLU C 3.723 H A 0053 LYS CB
H A 0052 GLU CD 3.436 H A 0055 LYS CE
H A 0053 LYS CA 3.796 H A 0054 TYR CA
H A 0053 LYS C 2.434 H A 0054 TYR CA
H A 0053 LYS C 3.051 H A 0054 TYR C
H A 0053 LYS C 3.706 H A 0054 TYR CB
H A 0054 TYR C 2.437 H A 0055 LYS CA
H A 0054 TYR C 2.977 H A 0055 LYS C
H A 0054 TYR C 3.721 H A 0055 LYS CB
H A 0054 TYR CE1 3.557 H A 0058 MET CE
H A 0054 TYR CE2 3.781 H A 0058 MET CG
H A 0054 TYR CZ 3.717 H A 0058 MET CG
H A 0055 LYS C 2.437 H A 0056 GLU CA
H A 0055 LYS C 3.171 H A 0056 GLU C
H A 0055 LYS C 3.687 H A 0056 GLU CB
H A 0056 GLU C 2.430 H A 0057 CYS CA
H A 0056 GLU C 3.218 H A 0057 CYS C
H A 0056 GLU C 3.662 H A 0057 CYS CB
H A 0056 GLU CA 3.440 H A 0059 LYS CD
H A 0056 GLU C 3.474 H A 0059 LYS CD
H A 0057 CYS C 2.431 H A 0058 MET CA
H A 0057 CYS C 3.375 H A 0058 MET C
H A 0057 CYS C 3.583 H A 0058 MET CB
H A 0058 MET C 2.431 H A 0059 LYS CA
H A 0058 MET C 3.063 H A 0059 LYS C
H A 0058 MET C 3.714 H A 0059 LYS CB
H A 0058 MET C 3.782 C A 0062 GLY CA
H A 0059 LYS CA 3.797 H A 0060 GLY CA
H A 0059 LYS C 2.420 H A 0060 GLY CA
H A 0059 LYS C 3.393 H A 0060 GLY C
H A 0060 GLY C 2.443 C A 0061 TYR CA
H A 0060 GLY C 2.977 C A 0061 TYR C
H A 0060 GLY C 3.057 C A 0061 TYR CB
H A 0060 GLY C 3.571 C A 0061 TYR CG
H A 0060 GLY C 3.621 C A 0061 TYR CD2
C A 0061 TYR CA 3.792 C A 0062 GLY CA
C A 0061 TYR C 2.418 C A 0062 GLY CA
C A 0061 TYR C 3.196 C A 0062 GLY C
C A 0062 GLY CA 3.794 C A 0063 PHE CA
C A 0062 GLY C 2.432 C A 0063 PHE CA
C A 0062 GLY C 3.624 C A 0063 PHE C
C A 0062 GLY C 3.294 C A 0063 PHE CB
C A 0063 PHE C 2.435 C A 0064 GLU CA
C A 0063 PHE C 3.714 C A 0064 GLU C
C A 0063 PHE C 3.049 C A 0064 GLU CB
C A 0063 PHE C 3.673 C A 0064 GLU CG
C A 0063 PHE CD2 3.490 C A 0064 GLU CG
C A 0063 PHE CE2 3.554 C A 0064 GLU CG
C A 0064 GLU C 2.439 C A 0065 VAL CA
C A 0064 GLU C 3.622 C A 0065 VAL C
C A 0064 GLU C 3.352 C A 0065 VAL CB
C A 0064 GLU C 3.229 C A 0065 VAL CG2
C A 0065 VAL CA 2.934 C A 0066 PRO CD
C A 0065 VAL C 2.469 C A 0066 PRO CA
C A 0065 VAL C 3.103 C A 0066 PRO C
C A 0065 VAL C 3.671 C A 0066 PRO CB
C A 0065 VAL C 3.608 C A 0066 PRO CG
C A 0065 VAL C 2.511 C A 0066 PRO CD
C A 0065 VAL CG1 3.605 C A 0066 PRO CD
C A 0066 PRO C 2.443 C A 0067 SER CA
C A 0066 PRO C 3.018 C A 0067 SER C
C A 0066 PRO C 3.019 C A 0067 SER CB
C A 0067 SER C 2.436 C A 0068 ALA CA
C A 0067 SER C 3.470 C A 0068 ALA C
C A 0067 SER C 3.493 C A 0068 ALA CB
C A 0068 ALA C 2.441 C A 0069 ASN CA
C A 0068 ALA C 2.992 C A 0069 ASN C
C A 0068 ALA C 3.038 C A 0069 ASN CB
C A 0068 ALA C 3.635 C A 0069 ASN CG
CHARGE_ATTR 2.00 12.00 89
C A 0003 GLU OE1 10.37 C A 0006 LYS NZ
C A 0003 GLU OE2 8.824 C A 0006 LYS NZ
C A 0005 ASP OD1 11.17 C A 0006 LYS NZ
C A 0005 ASP OD2 9.427 C A 0006 LYS NZ
C A 0005 ASP OD2 11.40 C A 0007 LYS NZ
C A 0009 GLU OE1 7.708 C A 0007 LYS NZ
C A 0009 GLU OE2 8.597 C A 0007 LYS NZ
C A 0011 GLU OE1 11.45 C A 0013 HIS ND1
C A 0011 GLU OE1 11.84 C A 0013 HIS NE2
C A 0011 GLU OE2 11.52 C A 0013 HIS ND1
C A 0011 GLU OE2 11.51 C A 0013 HIS NE2
C A 0015 GLU OE1 11.92 C A 0013 HIS ND1
C A 0015 GLU OE2 11.50 C A 0013 HIS ND1
C A 0017 GLU OE1 9.344 C A 0013 HIS ND1
C A 0017 GLU OE1 11.02 C A 0013 HIS NE2
C A 0017 GLU OE2 9.595 C A 0013 HIS ND1
C A 0017 GLU OE2 11.47 C A 0013 HIS NE2
C A 0017 GLU OE2 10.83 C A 0019 LYS NZ
C A 0018 ASP OD1 11.45 C A 0013 HIS ND1
C A 0018 ASP OD2 10.62 C A 0013 HIS ND1
C A 0018 ASP OD1 6.675 C A 0019 LYS NZ
C A 0018 ASP OD2 4.514 C A 0019 LYS NZ
C A 0018 ASP OD1 9.132 H A 0030 LYS NZ
C A 0018 ASP OD2 7.010 H A 0030 LYS NZ
C A 0018 ASP OD1 8.007 H A 0033 ARG NH1
C A 0018 ASP OD1 9.143 H A 0033 ARG NH2
C A 0018 ASP OD2 6.255 H A 0033 ARG NH1
C A 0018 ASP OD2 7.096 H A 0033 ARG NH2
C A 0018 ASP OD1 10.22 H A 0055 LYS NZ
C A 0018 ASP OD2 11.40 H A 0055 LYS NZ
H A 0029 GLU OE1 10.05 C A 0019 LYS NZ
H A 0029 GLU OE2 9.111 C A 0019 LYS NZ
H A 0029 GLU OE1 10.66 H A 0027 LYS NZ
H A 0029 GLU OE2 8.540 H A 0027 LYS NZ
H A 0029 GLU OE1 8.388 H A 0030 LYS NZ
H A 0029 GLU OE2 6.985 H A 0030 LYS NZ
H A 0029 GLU OE1 11.23 H A 0033 ARG NH1
H A 0029 GLU OE1 10.64 H A 0033 ARG NH2
H A 0029 GLU OE2 10.37 H A 0033 ARG NH1
H A 0029 GLU OE2 9.392 H A 0033 ARG NH2
H A 0031 GLU OE2 11.53 C A 0019 LYS NZ
H A 0031 GLU OE1 6.228 H A 0027 LYS NZ
H A 0031 GLU OE2 7.848 H A 0027 LYS NZ
H A 0031 GLU OE1 9.955 H A 0030 LYS NZ
H A 0031 GLU OE2 9.997 H A 0030 LYS NZ
H A 0031 GLU OE1 10.11 H A 0033 ARG NH2
H A 0031 GLU OE2 10.94 H A 0033 ARG NH1
H A 0031 GLU OE2 9.262 H A 0033 ARG NH2
H A 0032 GLU OE1 11.29 H A 0030 LYS NZ
H A 0032 GLU OE1 11.55 H A 0033 ARG NH2
H A 0034 ASP OD1 9.035 C A 0019 LYS NZ
H A 0034 ASP OD2 10.67 C A 0019 LYS NZ
H A 0034 ASP OD1 9.803 H A 0027 LYS NZ
H A 0034 ASP OD2 9.811 H A 0027 LYS NZ
H A 0034 ASP OD1 8.911 H A 0030 LYS NZ
H A 0034 ASP OD2 10.13 H A 0030 LYS NZ
H A 0034 ASP OD1 7.730 H A 0033 ARG NH1
H A 0034 ASP OD1 6.281 H A 0033 ARG NH2
H A 0034 ASP OD2 9.387 H A 0033 ARG NH1
H A 0034 ASP OD2 7.937 H A 0033 ARG NH2
C A 0043 ASP OD1 8.215 H A 0046 LYS NZ
C A 0043 ASP OD2 7.754 H A 0046 LYS NZ
H A 0045 GLU OE1 6.912 H A 0046 LYS NZ
H A 0045 GLU OE2 8.609 H A 0046 LYS NZ
H A 0045 GLU OE1 6.270 H A 0048 LYS NZ
H A 0045 GLU OE2 7.813 H A 0048 LYS NZ
H A 0049 GLU OE1 8.784 H A 0048 LYS NZ
H A 0049 GLU OE2 8.957 H A 0048 LYS NZ
H A 0049 GLU OE1 4.404 H A 0053 LYS NZ
H A 0049 GLU OE2 5.413 H A 0053 LYS NZ
H A 0049 GLU OE1 10.12 H A 0055 LYS NZ
H A 0049 GLU OE2 11.98 H A 0055 LYS NZ
H A 0052 GLU OE2 11.02 H A 0033 ARG NH1
H A 0052 GLU OE1 6.063 H A 0048 LYS NZ
H A 0052 GLU OE2 6.397 H A 0048 LYS NZ
H A 0052 GLU OE1 9.029 H A 0053 LYS NZ
H A 0052 GLU OE2 9.991 H A 0053 LYS NZ
H A 0052 GLU OE1 4.263 H A 0055 LYS NZ
H A 0052 GLU OE2 4.649 H A 0055 LYS NZ
H A 0052 GLU OE1 10.88 H A 0059 LYS NZ
H A 0052 GLU OE2 11.43 H A 0059 LYS NZ
H A 0056 GLU OE1 4.381 H A 0053 LYS NZ
H A 0056 GLU OE2 5.226 H A 0053 LYS NZ
H A 0056 GLU OE1 7.866 H A 0055 LYS NZ
H A 0056 GLU OE2 6.390 H A 0055 LYS NZ
H A 0056 GLU OE1 7.311 H A 0059 LYS NZ
H A 0056 GLU OE2 6.762 H A 0059 LYS NZ
C A 0064 GLU OE1 6.227 C A 0021 LYS NZ
C A 0064 GLU OE2 6.922 C A 0021 LYS NZ
CHARGE_REPU 2.00 12.00 90
C A 0003 GLU OE1 6.135 C A 0005 ASP OD1
C A 0003 GLU OE1 6.830 C A 0005 ASP OD2
C A 0003 GLU OE2 7.465 C A 0005 ASP OD1
C A 0003 GLU OE2 7.562 C A 0005 ASP OD2
C A 0005 ASP OD1 11.78 C A 0009 GLU OE1
C A 0005 ASP OD1 10.06 C A 0009 GLU OE2
C A 0005 ASP OD2 10.92 C A 0009 GLU OE1
C A 0005 ASP OD2 9.169 C A 0009 GLU OE2
C A 0006 LYS NZ 11.20 C A 0007 LYS NZ
C A 0009 GLU OE1 6.368 C A 0011 GLU OE1
C A 0009 GLU OE1 5.873 C A 0011 GLU OE2
C A 0009 GLU OE2 7.192 C A 0011 GLU OE1
C A 0009 GLU OE2 6.012 C A 0011 GLU OE2
C A 0013 HIS ND1 10.47 C A 0019 LYS NZ
C A 0013 HIS NE2 11.62 C A 0019 LYS NZ
C A 0013 HIS ND1 10.28 H A 0033 ARG NH1
C A 0013 HIS ND1 10.50 H A 0033 ARG NH2
C A 0013 HIS NE2 11.36 H A 0033 ARG NH1
C A 0013 HIS NE2 11.28 H A 0033 ARG NH2
C A 0015 GLU OE1 11.02 C A 0017 GLU OE1
C A 0015 GLU OE1 10.03 C A 0017 GLU OE2
C A 0015 GLU OE2 11.31 C A 0017 GLU OE2
C A 0015 GLU OE1 10.47 C A 0018 ASP OD1
C A 0015 GLU OE1 11.75 C A 0018 ASP OD2
C A 0017 GLU OE1 8.641 C A 0018 ASP OD1
C A 0017 GLU OE1 9.232 C A 0018 ASP OD2
C A 0017 GLU OE2 6.534 C A 0018 ASP OD1
C A 0017 GLU OE2 7.361 C A 0018 ASP OD2
C A 0017 GLU OE1 11.96 C A 0064 GLU OE2
C A 0017 GLU OE2 10.97 C A 0064 GLU OE2
C A 0018 ASP OD2 11.82 H A 0029 GLU OE2
C A 0018 ASP OD1 11.48 H A 0052 GLU OE1
C A 0018 ASP OD1 9.518 H A 0052 GLU OE2
C A 0018 ASP OD2 10.29 H A 0052 GLU OE2
C A 0018 ASP OD1 10.34 C A 0064 GLU OE2
C A 0018 ASP OD2 10.53 C A 0064 GLU OE2
C A 0019 LYS NZ 10.35 H A 0027 LYS NZ
C A 0019 LYS NZ 3.304 H A 0030 LYS NZ
C A 0019 LYS NZ 3.354 H A 0033 ARG NH1
C A 0019 LYS NZ 2.905 H A 0033 ARG NH2
H A 0027 LYS NZ 7.283 H A 0030 LYS NZ
H A 0027 LYS NZ 9.867 H A 0033 ARG NH2
H A 0029 GLU OE1 11.93 H A 0031 GLU OE1
H A 0029 GLU OE2 9.871 H A 0031 GLU OE1
H A 0029 GLU OE2 10.16 H A 0031 GLU OE2
H A 0029 GLU OE1 6.367 H A 0032 GLU OE1
H A 0029 GLU OE1 8.539 H A 0032 GLU OE2
H A 0029 GLU OE2 6.136 H A 0032 GLU OE1
H A 0029 GLU OE2 8.305 H A 0032 GLU OE2
H A 0029 GLU OE1 11.63 H A 0056 GLU OE1
H A 0030 LYS NZ 5.916 H A 0033 ARG NH1
H A 0030 LYS NZ 4.319 H A 0033 ARG NH2
H A 0031 GLU OE1 9.841 H A 0032 GLU OE1
H A 0031 GLU OE1 10.36 H A 0032 GLU OE2
H A 0031 GLU OE2 9.279 H A 0032 GLU OE1
H A 0031 GLU OE2 9.527 H A 0032 GLU OE2
H A 0031 GLU OE1 6.981 H A 0034 ASP OD1
H A 0031 GLU OE1 5.644 H A 0034 ASP OD2
H A 0031 GLU OE2 5.612 H A 0034 ASP OD1
H A 0031 GLU OE2 4.000 H A 0034 ASP OD2
H A 0032 GLU OE1 11.84 H A 0034 ASP OD2
H A 0032 GLU OE2 12.00 H A 0034 ASP OD2
H A 0032 GLU OE1 11.81 H A 0049 GLU OE1
H A 0032 GLU OE2 11.75 H A 0049 GLU OE1
C A 0043 ASP OD1 11.80 H A 0045 GLU OE1
C A 0043 ASP OD2 10.90 H A 0045 GLU OE1
C A 0043 ASP OD2 11.20 H A 0045 GLU OE2
H A 0045 GLU OE1 9.280 H A 0049 GLU OE1
H A 0045 GLU OE1 8.170 H A 0049 GLU OE2
H A 0045 GLU OE2 8.912 H A 0049 GLU OE1
H A 0045 GLU OE2 7.365 H A 0049 GLU OE2
H A 0045 GLU OE1 11.19 H A 0052 GLU OE1
H A 0045 GLU OE1 11.29 H A 0052 GLU OE2
H A 0046 LYS NZ 9.855 H A 0048 LYS NZ
H A 0048 LYS NZ 10.19 H A 0055 LYS NZ
H A 0049 GLU OE1 7.421 H A 0052 GLU OE1
H A 0049 GLU OE1 7.856 H A 0052 GLU OE2
H A 0049 GLU OE2 8.883 H A 0052 GLU OE1
H A 0049 GLU OE2 9.471 H A 0052 GLU OE2
H A 0049 GLU OE1 7.481 H A 0056 GLU OE1
H A 0049 GLU OE1 7.737 H A 0056 GLU OE2
H A 0049 GLU OE2 9.172 H A 0056 GLU OE1
H A 0049 GLU OE2 9.373 H A 0056 GLU OE2
H A 0052 GLU OE1 8.598 H A 0056 GLU OE1
H A 0052 GLU OE1 7.197 H A 0056 GLU OE2
H A 0052 GLU OE2 9.472 H A 0056 GLU OE1
H A 0052 GLU OE2 8.422 H A 0056 GLU OE2
H A 0053 LYS NZ 10.27 H A 0055 LYS NZ
H A 0053 LYS NZ 11.61 H A 0059 LYS NZ
H A 0055 LYS NZ 7.215 H A 0059 LYS NZ
HB_MM 2.00 3.20 105
C A 0002 THR N 2.251 C A 0001 MET O
C A 0003 GLU N 2.252 C A 0002 THR O
C A 0004 THR N 2.251 C A 0003 GLU O
C A 0005 ASP N 2.252 C A 0004 THR O
C A 0006 LYS N 2.251 C A 0005 ASP O
C A 0007 LYS N 2.252 C A 0006 LYS O
C A 0008 GLN N 3.149 C A 0006 LYS O
C A 0008 GLN N 2.250 C A 0007 LYS O
C A 0009 GLU N 2.251 C A 0008 GLN O
C A 0010 GLN N 2.256 C A 0009 GLU O
C A 0011 GLU N 2.250 C A 0010 GLN O
C A 0012 ASN N 2.252 C A 0011 GLU O
C A 0013 HIS N 2.251 C A 0012 ASN O
C A 0014 ALA N 2.251 C A 0013 HIS O
C A 0015 GLU N 2.252 C A 0014 ALA O
C A 0016 CYS N 2.255 C A 0015 GLU O
C A 0017 GLU N 2.254 C A 0016 CYS O
C A 0018 ASP N 2.255 C A 0017 GLU O
C A 0019 LYS N 2.254 C A 0018 ASP O
C A 0020 PRO N 2.254 C A 0019 LYS O
C A 0021 LYS N 2.251 C A 0020 PRO O
C A 0022 PRO N 2.268 C A 0021 LYS O
C A 0023 CYS N 2.648 C A 0021 LYS O
C A 0023 CYS N 2.254 C A 0022 PRO O
C A 0024 CYS N 2.252 C A 0023 CYS O
C A 0025 VAL N 2.249 C A 0024 CYS O
C A 0026 CYS N 3.110 C A 0024 CYS O
C A 0026 CYS N 2.252 C A 0025 VAL O
H A 0027 LYS N 2.251 C A 0026 CYS O
H A 0028 PRO N 2.255 H A 0027 LYS O
H A 0029 GLU N 2.251 H A 0028 PRO O
H A 0030 LYS N 3.089 H A 0028 PRO O
H A 0030 LYS N 2.252 H A 0029 GLU O
H A 0031 GLU N 3.155 H A 0027 LYS O
H A 0031 GLU N 2.957 H A 0028 PRO O
H A 0031 GLU N 2.253 H A 0030 LYS O
H A 0032 GLU N 3.016 H A 0028 PRO O
H A 0032 GLU N 2.252 H A 0031 GLU O
H A 0033 ARG N 2.970 H A 0029 GLU O
H A 0033 ARG N 2.252 H A 0032 GLU O
H A 0034 ASP N 3.062 H A 0030 LYS O
H A 0034 ASP N 2.250 H A 0033 ARG O
H A 0035 THR N 3.021 H A 0031 GLU O
H A 0035 THR N 2.251 H A 0034 ASP O
H A 0036 CYS N 3.002 H A 0032 GLU O
H A 0036 CYS N 2.250 H A 0035 THR O
H A 0037 ILE N 3.030 H A 0033 ARG O
H A 0037 ILE N 2.249 H A 0036 CYS O
H A 0038 LEU N 2.872 H A 0034 ASP O
H A 0038 LEU N 3.137 H A 0035 THR O
H A 0038 LEU N 2.250 H A 0037 ILE O
H A 0039 PHE N 3.050 H A 0035 THR O
H A 0039 PHE N 2.248 H A 0038 LEU O
H A 0040 ASN N 3.007 H A 0036 CYS O
H A 0040 ASN N 2.249 H A 0039 PHE O
C A 0041 GLY N 2.875 H A 0037 ILE O
C A 0041 GLY N 2.252 H A 0040 ASN O
C A 0042 GLN N 2.257 C A 0041 GLY O
C A 0043 ASP N 2.731 C A 0041 GLY O
C A 0043 ASP N 2.252 C A 0042 GLN O
H A 0044 SER N 2.252 C A 0043 ASP O
H A 0045 GLU N 2.255 H A 0044 SER O
H A 0046 LYS N 2.896 H A 0044 SER O
H A 0046 LYS N 2.254 H A 0045 GLU O
H A 0047 CYS N 2.986 H A 0044 SER O
H A 0047 CYS N 2.845 H A 0045 GLU O
H A 0047 CYS N 2.253 H A 0046 LYS O
H A 0048 LYS N 2.896 H A 0046 LYS O
H A 0048 LYS N 2.249 H A 0047 CYS O
H A 0049 GLU N 2.250 H A 0048 LYS O
H A 0050 PHE N 2.250 H A 0049 GLU O
H A 0051 ILE N 3.176 H A 0048 LYS O
H A 0051 ILE N 2.251 H A 0050 PHE O
H A 0052 GLU N 2.968 H A 0048 LYS O
H A 0052 GLU N 2.252 H A 0051 ILE O
H A 0053 LYS N 3.047 H A 0049 GLU O
H A 0053 LYS N 2.250 H A 0052 GLU O
H A 0054 TYR N 2.949 H A 0050 PHE O
H A 0054 TYR N 2.252 H A 0053 LYS O
H A 0055 LYS N 2.982 H A 0051 ILE O
H A 0055 LYS N 2.254 H A 0054 TYR O
H A 0056 GLU N 2.764 H A 0052 GLU O
H A 0056 GLU N 3.040 H A 0054 TYR O
H A 0056 GLU N 2.253 H A 0055 LYS O
H A 0057 CYS N 2.921 H A 0053 LYS O
H A 0057 CYS N 2.955 H A 0054 TYR O
H A 0057 CYS N 2.247 H A 0056 GLU O
H A 0058 MET N 2.865 H A 0054 TYR O
H A 0058 MET N 2.247 H A 0057 CYS O
H A 0059 LYS N 3.027 H A 0055 LYS O
H A 0059 LYS N 2.246 H A 0058 MET O
H A 0060 GLY N 3.182 H A 0058 MET O
H A 0060 GLY N 2.252 H A 0059 LYS O
C A 0061 TYR N 2.256 H A 0060 GLY O
C A 0062 GLY N 3.078 H A 0058 MET O
C A 0062 GLY N 2.826 H A 0060 GLY O
C A 0062 GLY N 2.250 C A 0061 TYR O
C A 0063 PHE N 3.082 H A 0058 MET O
C A 0063 PHE N 2.251 C A 0062 GLY O
C A 0064 GLU N 2.250 C A 0063 PHE O
C A 0065 VAL N 2.253 C A 0064 GLU O
C A 0066 PRO N 2.254 C A 0065 VAL O
C A 0067 SER N 2.255 C A 0066 PRO O
C A 0068 ALA N 2.252 C A 0067 SER O
C A 0069 ASN N 2.255 C A 0068 ALA O
HB_MS 2.00 3.20 8
C A 0004 THR N 2.992 C A 0003 GLU OE1
C A 0005 ASP N 2.747 C A 0004 THR OG1
C A 0018 ASP N 3.037 C A 0017 GLU OE2
C A 0019 LYS N 2.772 C A 0018 ASP OD2
H A 0027 LYS N 2.621 H A 0029 GLU OE2
H A 0028 PRO N 3.034 H A 0029 GLU OE2
H A 0031 GLU O 2.795 H A 0035 THR OG1
H A 0036 CYS O 2.917 H A 0040 ASN ND2
AROMATIC 0.00 8.00 1
H A 0059 LYS 7.529 C A 0061 TYR