Complet list of 1shp con file
Complete list of 1shp.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 259
H A 0001 SER C 2.470 H A 0002 ILE CA
H A 0001 SER C 3.020 H A 0002 ILE C
H A 0001 SER C 3.759 H A 0002 ILE CB
H A 0002 ILE C 2.487 H A 0003 CYS CA
H A 0002 ILE C 2.908 H A 0003 CYS C
H A 0002 ILE C 3.709 H A 0003 CYS CB
H A 0002 ILE CD1 3.619 E A 0043 PHE CZ
H A 0003 CYS C 2.445 H A 0004 SER CA
H A 0003 CYS C 3.169 H A 0004 SER C
H A 0003 CYS C 3.707 H A 0004 SER CB
H A 0004 SER C 2.422 H A 0005 GLU CA
H A 0004 SER C 3.099 H A 0005 GLU C
H A 0004 SER C 3.693 H A 0005 GLU CB
H A 0005 GLU CA 2.961 C A 0006 PRO CD
H A 0005 GLU C 2.460 C A 0006 PRO CA
H A 0005 GLU C 3.177 C A 0006 PRO C
H A 0005 GLU C 3.629 C A 0006 PRO CB
H A 0005 GLU C 3.690 C A 0006 PRO CG
H A 0005 GLU C 2.490 C A 0006 PRO CD
H A 0005 GLU CB 3.739 C A 0006 PRO CD
H A 0005 GLU CD 3.787 C A 0039 ASN CB
H A 0005 GLU CD 3.753 C A 0039 ASN CG
H A 0005 GLU CB 3.624 C A 0041 ASN CB
C A 0006 PRO C 2.449 C A 0007 LYS CA
C A 0006 PRO C 3.032 C A 0007 LYS C
C A 0006 PRO C 3.735 C A 0007 LYS CB
C A 0006 PRO CA 3.632 C A 0024 GLU CD
C A 0006 PRO CB 3.596 C A 0024 GLU CD
C A 0007 LYS CA 3.794 C A 0008 LYS CA
C A 0007 LYS C 2.477 C A 0008 LYS CA
C A 0007 LYS C 3.566 C A 0008 LYS C
C A 0007 LYS C 3.366 C A 0008 LYS CB
C A 0007 LYS C 3.254 C A 0008 LYS CG
C A 0007 LYS CB 3.718 E A 0020 TYR CD2
C A 0007 LYS CB 3.574 E A 0020 TYR CE2
C A 0007 LYS CE 3.655 E A 0020 TYR CE1
C A 0007 LYS CE 3.656 E A 0020 TYR CZ
C A 0007 LYS CG 3.547 E A 0031 PHE CB
C A 0007 LYS CG 3.718 E A 0031 PHE CG
C A 0007 LYS CG 3.533 E A 0031 PHE CD2
C A 0007 LYS CD 3.659 E A 0031 PHE CB
C A 0007 LYS CE 3.654 E A 0031 PHE CB
C A 0008 LYS C 2.453 C A 0009 VAL CA
C A 0008 LYS C 3.083 C A 0009 VAL C
C A 0008 LYS C 3.699 C A 0009 VAL CB
C A 0009 VAL C 2.459 C A 0010 GLY CA
C A 0009 VAL C 3.646 C A 0010 GLY C
C A 0010 GLY C 2.445 C A 0011 ARG CA
C A 0010 GLY C 3.052 C A 0011 ARG C
C A 0010 GLY C 3.717 C A 0011 ARG CB
C A 0010 GLY CA 3.692 C A 0037 GLY C
C A 0011 ARG C 2.439 C A 0012 CYS CA
C A 0011 ARG C 3.042 C A 0012 CYS C
C A 0011 ARG C 3.715 C A 0012 CYS CB
C A 0012 CYS C 2.464 C A 0013 LYS CA
C A 0012 CYS C 3.507 C A 0013 LYS C
C A 0012 CYS C 3.502 C A 0013 LYS CB
C A 0012 CYS C 3.612 C A 0013 LYS CG
C A 0013 LYS C 2.443 C A 0014 GLY CA
C A 0013 LYS C 3.041 C A 0014 GLY C
C A 0014 GLY C 2.441 C A 0015 TYR CA
C A 0014 GLY C 3.157 C A 0015 TYR C
C A 0014 GLY C 3.678 C A 0015 TYR CB
C A 0014 GLY C 3.679 E A 0016 PHE CD1
C A 0015 TYR CA 3.794 E A 0016 PHE CA
C A 0015 TYR C 2.457 E A 0016 PHE CA
C A 0015 TYR C 3.295 E A 0016 PHE C
C A 0015 TYR C 3.635 E A 0016 PHE CB
C A 0015 TYR C 3.552 E A 0017 PRO CD
C A 0015 TYR CD1 3.730 E A 0032 ILE CG1
C A 0015 TYR CE1 3.688 E A 0032 ILE CG1
E A 0016 PHE CA 3.019 E A 0017 PRO CD
E A 0016 PHE C 2.429 E A 0017 PRO CA
E A 0016 PHE C 2.982 E A 0017 PRO C
E A 0016 PHE C 3.660 E A 0017 PRO CB
E A 0016 PHE C 3.683 E A 0017 PRO CG
E A 0016 PHE C 2.515 E A 0017 PRO CD
E A 0017 PRO C 2.474 E A 0018 ARG CA
E A 0017 PRO C 3.552 E A 0018 ARG C
E A 0017 PRO C 3.413 E A 0018 ARG CB
E A 0017 PRO C 3.549 E A 0018 ARG CG
E A 0018 ARG C 2.477 E A 0019 PHE CA
E A 0018 ARG C 3.471 E A 0019 PHE C
E A 0018 ARG C 3.538 E A 0019 PHE CB
E A 0018 ARG C 3.631 E A 0019 PHE CD1
E A 0018 ARG C 3.560 E A 0031 PHE CD1
E A 0018 ARG C 3.768 E A 0031 PHE CE1
E A 0018 ARG CB 3.518 E A 0031 PHE CE1
E A 0018 ARG CG 3.564 E A 0033 TYR CB
E A 0018 ARG CD 3.674 E A 0043 PHE C
E A 0018 ARG CD 3.641 C A 0044 GLU CA
E A 0018 ARG CZ 3.547 C A 0044 GLU CD
E A 0019 PHE C 2.444 E A 0020 TYR CA
E A 0019 PHE C 3.414 E A 0020 TYR C
E A 0019 PHE C 3.520 E A 0020 TYR CB
E A 0019 PHE CD2 3.778 E A 0029 THR C
E A 0019 PHE C 3.663 E A 0031 PHE CD1
E A 0019 PHE C 3.550 E A 0031 PHE CE1
E A 0019 PHE CB 3.727 H A 0045 THR C
E A 0019 PHE CG 3.504 H A 0045 THR C
E A 0019 PHE CD1 3.474 H A 0045 THR CA
E A 0019 PHE CD1 3.508 H A 0045 THR C
E A 0020 TYR CA 3.771 E A 0021 PHE CA
E A 0020 TYR C 2.423 E A 0021 PHE CA
E A 0020 TYR C 2.948 E A 0021 PHE C
E A 0020 TYR C 3.720 E A 0021 PHE CB
E A 0020 TYR CD2 3.778 E A 0021 PHE C
E A 0020 TYR CD2 3.423 E A 0022 ASP CA
E A 0020 TYR CE2 3.285 E A 0022 ASP CA
E A 0020 TYR CE2 3.256 E A 0022 ASP CB
E A 0020 TYR CE2 3.445 E A 0022 ASP CG
E A 0020 TYR CZ 3.402 E A 0022 ASP CB
E A 0020 TYR CZ 3.429 E A 0022 ASP CG
E A 0020 TYR CE1 3.787 E A 0029 THR CB
E A 0020 TYR CE1 3.708 E A 0029 THR CG2
E A 0020 TYR CD1 3.699 E A 0031 PHE CB
E A 0020 TYR CD1 3.665 E A 0031 PHE CD1
E A 0021 PHE CA 3.779 E A 0022 ASP CA
E A 0021 PHE C 2.454 E A 0022 ASP CA
E A 0021 PHE C 3.026 E A 0022 ASP C
E A 0021 PHE C 3.638 E A 0022 ASP CB
E A 0021 PHE CD2 3.770 C A 0023 SER CB
E A 0021 PHE CE2 3.646 C A 0023 SER CA
E A 0021 PHE CE2 3.566 C A 0023 SER CB
E A 0021 PHE CE1 3.567 C A 0026 GLY C
E A 0021 PHE CD1 3.690 E A 0027 LYS C
E A 0021 PHE CD1 3.272 H A 0054 ARG CZ
E A 0021 PHE CE1 3.693 H A 0054 ARG CD
E A 0021 PHE CE1 3.267 H A 0054 ARG CZ
E A 0022 ASP CA 3.797 C A 0023 SER CA
E A 0022 ASP C 2.464 C A 0023 SER CA
E A 0022 ASP C 3.040 C A 0023 SER C
E A 0022 ASP C 3.728 C A 0023 SER CB
E A 0022 ASP CG 3.752 C A 0025 THR CB
E A 0022 ASP CG 3.685 C A 0025 THR CG2
C A 0023 SER C 2.459 C A 0024 GLU CA
C A 0023 SER C 2.950 C A 0024 GLU C
C A 0023 SER C 3.697 C A 0024 GLU CB
C A 0024 GLU C 2.499 C A 0025 THR CA
C A 0024 GLU C 3.415 C A 0025 THR C
C A 0024 GLU C 3.648 C A 0025 THR CB
C A 0025 THR C 2.472 C A 0026 GLY CA
C A 0025 THR C 3.265 C A 0026 GLY C
C A 0025 THR CB 3.667 E A 0027 LYS CG
C A 0025 THR CB 3.506 E A 0027 LYS CE
C A 0025 THR CG2 3.586 E A 0027 LYS CE
C A 0026 GLY C 2.479 E A 0027 LYS CA
C A 0026 GLY C 3.404 E A 0027 LYS C
C A 0026 GLY C 3.601 E A 0027 LYS CB
E A 0027 LYS CA 3.799 E A 0028 CYS CA
E A 0027 LYS C 2.467 E A 0028 CYS CA
E A 0027 LYS C 3.196 E A 0028 CYS C
E A 0027 LYS C 3.703 E A 0028 CYS CB
E A 0028 CYS C 2.444 E A 0029 THR CA
E A 0028 CYS C 3.671 E A 0029 THR C
E A 0028 CYS C 3.143 E A 0029 THR CB
E A 0028 CYS CB 3.423 H A 0046 LEU CD1
E A 0029 THR CA 2.961 E A 0030 PRO CD
E A 0029 THR C 2.459 E A 0030 PRO CA
E A 0029 THR C 3.147 E A 0030 PRO C
E A 0029 THR C 3.666 E A 0030 PRO CB
E A 0029 THR C 3.685 E A 0030 PRO CG
E A 0029 THR C 2.501 E A 0030 PRO CD
E A 0029 THR CB 3.753 E A 0030 PRO CD
E A 0029 THR CG2 3.492 E A 0030 PRO CD
E A 0030 PRO C 2.494 E A 0031 PHE CA
E A 0030 PRO C 3.650 E A 0031 PHE C
E A 0030 PRO C 3.258 E A 0031 PHE CB
E A 0031 PHE C 2.447 E A 0032 ILE CA
E A 0031 PHE C 3.267 E A 0032 ILE C
E A 0031 PHE C 3.631 E A 0032 ILE CB
E A 0031 PHE C 3.468 E A 0032 ILE CD1
E A 0031 PHE CD2 3.571 E A 0032 ILE C
E A 0031 PHE CE2 3.722 E A 0033 TYR CA
E A 0032 ILE C 2.463 E A 0033 TYR CA
E A 0032 ILE C 3.256 E A 0033 TYR C
E A 0032 ILE C 3.630 E A 0033 TYR CB
E A 0033 TYR C 2.442 C A 0034 GLY CA
E A 0033 TYR C 3.184 C A 0034 GLY C
E A 0033 TYR CD1 3.587 C A 0034 GLY C
E A 0033 TYR CE1 3.610 C A 0034 GLY C
E A 0033 TYR CE1 3.670 C A 0035 GLY CA
E A 0033 TYR CE1 3.676 C A 0035 GLY C
E A 0033 TYR CE2 3.793 C A 0035 GLY CA
E A 0033 TYR CZ 3.434 C A 0035 GLY CA
E A 0033 TYR CZ 3.700 C A 0035 GLY C
E A 0033 TYR CE1 3.343 C A 0038 GLY CA
C A 0034 GLY C 2.508 C A 0035 GLY CA
C A 0034 GLY C 2.988 C A 0035 GLY C
C A 0035 GLY CA 3.794 C A 0036 CYS CA
C A 0035 GLY C 2.433 C A 0036 CYS CA
C A 0035 GLY C 3.171 C A 0036 CYS C
C A 0035 GLY C 3.688 C A 0036 CYS CB
C A 0036 CYS C 2.494 C A 0037 GLY CA
C A 0036 CYS C 3.421 C A 0037 GLY C
C A 0037 GLY C 2.454 C A 0038 GLY CA
C A 0037 GLY C 3.115 C A 0038 GLY C
C A 0038 GLY C 2.481 C A 0039 ASN CA
C A 0038 GLY C 3.522 C A 0039 ASN C
C A 0038 GLY C 3.486 C A 0039 ASN CB
C A 0039 ASN C 2.454 C A 0040 GLY CA
C A 0039 ASN C 3.217 C A 0040 GLY C
C A 0040 GLY C 2.450 C A 0041 ASN CA
C A 0040 GLY C 3.118 C A 0041 ASN C
C A 0040 GLY C 3.693 C A 0041 ASN CB
C A 0041 ASN C 2.466 C A 0042 ASN CA
C A 0041 ASN C 3.678 C A 0042 ASN C
C A 0041 ASN C 3.178 C A 0042 ASN CB
C A 0042 ASN C 2.473 E A 0043 PHE CA
C A 0042 ASN C 3.560 E A 0043 PHE C
C A 0042 ASN C 3.444 E A 0043 PHE CB
C A 0042 ASN C 3.530 E A 0043 PHE CG
E A 0043 PHE C 2.458 C A 0044 GLU CA
E A 0043 PHE C 3.013 C A 0044 GLU C
E A 0043 PHE C 3.722 C A 0044 GLU CB
E A 0043 PHE CG 3.639 H A 0049 CYS CA
E A 0043 PHE CD2 3.499 H A 0049 CYS CA
E A 0043 PHE CD2 3.629 H A 0049 CYS CB
E A 0043 PHE CE1 3.747 H A 0052 ILE CG1
E A 0043 PHE CZ 3.683 H A 0052 ILE CG2
C A 0044 GLU C 2.467 H A 0045 THR CA
C A 0044 GLU C 3.665 H A 0045 THR C
C A 0044 GLU C 3.313 H A 0045 THR CB
C A 0044 GLU C 3.261 H A 0045 THR CG2
H A 0045 THR CA 3.800 H A 0046 LEU CA
H A 0045 THR C 2.453 H A 0046 LEU CA
H A 0045 THR C 2.900 H A 0046 LEU C
H A 0045 THR C 3.784 H A 0046 LEU CB
H A 0046 LEU C 2.459 H A 0047 HIS CA
H A 0046 LEU C 2.878 H A 0047 HIS C
H A 0046 LEU C 3.740 H A 0047 HIS CB
H A 0046 LEU CD1 3.767 H A 0050 ARG CB
H A 0047 HIS C 2.428 H A 0048 GLN CA
H A 0047 HIS C 3.072 H A 0048 GLN C
H A 0047 HIS C 3.688 H A 0048 GLN CB
H A 0048 GLN C 2.448 H A 0049 CYS CA
H A 0048 GLN C 2.983 H A 0049 CYS C
H A 0048 GLN C 3.700 H A 0049 CYS CB
H A 0049 CYS CA 3.794 H A 0050 ARG CA
H A 0049 CYS C 2.447 H A 0050 ARG CA
H A 0049 CYS C 3.080 H A 0050 ARG C
H A 0049 CYS C 3.685 H A 0050 ARG CB
H A 0050 ARG C 2.488 H A 0051 ALA CA
H A 0050 ARG C 2.977 H A 0051 ALA C
H A 0050 ARG C 3.719 H A 0051 ALA CB
H A 0050 ARG CD 3.395 H A 0054 ARG CZ
H A 0051 ALA C 2.443 H A 0052 ILE CA
H A 0051 ALA C 3.142 H A 0052 ILE C
H A 0051 ALA C 3.687 H A 0052 ILE CB
H A 0052 ILE C 2.464 H A 0053 CYS CA
H A 0052 ILE C 3.465 H A 0053 CYS C
H A 0052 ILE C 3.565 H A 0053 CYS CB
H A 0053 CYS C 2.485 H A 0054 ARG CA
H A 0053 CYS C 3.604 H A 0054 ARG C
H A 0053 CYS C 3.441 H A 0054 ARG CB
H A 0053 CYS C 3.525 H A 0054 ARG CG
H A 0054 ARG C 2.440 C A 0055 ALA CA
H A 0054 ARG C 3.005 C A 0055 ALA C
H A 0054 ARG C 3.714 C A 0055 ALA CB
CHARGE_ATTR 2.00 12.00 29
H A 0005 GLU OE1 11.95 C A 0007 LYS NZ
H A 0005 GLU OE1 2.598 C A 0008 LYS NZ
H A 0005 GLU OE2 4.817 C A 0008 LYS NZ
H A 0005 GLU OE1 11.57 E A 0018 ARG NH1
H A 0005 GLU OE2 10.18 E A 0018 ARG NH1
H A 0005 GLU OE2 11.92 E A 0018 ARG NH2
E A 0022 ASP OD1 6.227 C A 0007 LYS NZ
E A 0022 ASP OD2 5.079 C A 0007 LYS NZ
E A 0022 ASP OD1 3.751 E A 0027 LYS NZ
E A 0022 ASP OD2 2.636 E A 0027 LYS NZ
E A 0022 ASP OD1 10.12 H A 0054 ARG NH1
E A 0022 ASP OD1 8.936 H A 0054 ARG NH2
E A 0022 ASP OD2 10.73 H A 0054 ARG NH1
E A 0022 ASP OD2 9.308 H A 0054 ARG NH2
C A 0024 GLU OE1 6.270 C A 0007 LYS NZ
C A 0024 GLU OE2 4.734 C A 0007 LYS NZ
C A 0024 GLU OE1 10.02 C A 0008 LYS NZ
C A 0024 GLU OE2 9.459 C A 0008 LYS NZ
C A 0024 GLU OE1 7.204 E A 0027 LYS NZ
C A 0024 GLU OE2 7.888 E A 0027 LYS NZ
C A 0024 GLU OE1 10.72 H A 0054 ARG NH1
C A 0024 GLU OE1 10.28 H A 0054 ARG NH2
C A 0044 GLU OE1 4.467 E A 0018 ARG NH1
C A 0044 GLU OE1 2.604 E A 0018 ARG NH2
C A 0044 GLU OE2 4.615 E A 0018 ARG NH1
C A 0044 GLU OE2 3.419 E A 0018 ARG NH2
C A 0044 GLU OE1 9.834 H A 0047 HIS ND1
C A 0044 GLU OE1 11.36 H A 0047 HIS NE2
C A 0044 GLU OE2 10.89 H A 0047 HIS ND1
CHARGE_REPU 2.00 12.00 24
H A 0005 GLU OE1 9.830 C A 0024 GLU OE1
H A 0005 GLU OE1 9.695 C A 0024 GLU OE2
H A 0005 GLU OE2 10.20 C A 0024 GLU OE1
H A 0005 GLU OE2 10.42 C A 0024 GLU OE2
C A 0007 LYS NZ 11.82 C A 0008 LYS NZ
C A 0007 LYS NZ 7.440 E A 0027 LYS NZ
C A 0011 ARG NH1 9.021 C A 0013 LYS NZ
C A 0011 ARG NH2 10.06 C A 0013 LYS NZ
E A 0018 ARG NH1 11.73 H A 0047 HIS ND1
E A 0018 ARG NH2 11.30 H A 0047 HIS ND1
E A 0022 ASP OD1 3.582 C A 0024 GLU OE1
E A 0022 ASP OD1 4.584 C A 0024 GLU OE2
E A 0022 ASP OD2 5.071 C A 0024 GLU OE1
E A 0022 ASP OD2 5.381 C A 0024 GLU OE2
E A 0027 LYS NZ 10.27 H A 0054 ARG NH1
E A 0027 LYS NZ 8.424 H A 0054 ARG NH2
H A 0047 HIS ND1 11.67 H A 0050 ARG NH1
H A 0047 HIS NE2 10.68 H A 0050 ARG NH1
H A 0047 HIS ND1 11.88 H A 0054 ARG NH1
H A 0047 HIS NE2 11.37 H A 0054 ARG NH1
H A 0050 ARG NH1 5.003 H A 0054 ARG NH1
H A 0050 ARG NH1 5.371 H A 0054 ARG NH2
H A 0050 ARG NH2 6.137 H A 0054 ARG NH1
H A 0050 ARG NH2 5.599 H A 0054 ARG NH2
HB_MM 2.00 3.20 89
H A 0002 ILE N 2.266 H A 0001 SER O
H A 0003 CYS N 2.976 H A 0001 SER O
H A 0003 CYS N 2.257 H A 0002 ILE O
H A 0004 SER N 2.870 H A 0001 SER O
H A 0004 SER N 2.888 H A 0002 ILE O
H A 0004 SER N 2.238 H A 0003 CYS O
H A 0005 GLU N 2.922 H A 0002 ILE O
H A 0005 GLU N 2.240 H A 0004 SER O
C A 0006 PRO N 2.246 H A 0005 GLU O
C A 0007 LYS N 2.249 C A 0006 PRO O
C A 0008 LYS N 2.257 C A 0007 LYS O
C A 0009 VAL N 2.252 C A 0008 LYS O
C A 0010 GLY N 2.246 C A 0009 VAL O
C A 0011 ARG N 2.257 C A 0010 GLY O
C A 0011 ARG N 2.764 C A 0036 CYS O
C A 0012 CYS N 2.251 C A 0011 ARG O
C A 0012 CYS N 2.888 C A 0036 CYS O
C A 0013 LYS N 2.241 C A 0012 CYS O
C A 0014 GLY N 2.245 C A 0013 LYS O
C A 0015 TYR N 2.251 C A 0014 GLY O
E A 0016 PHE N 2.810 C A 0014 GLY O
E A 0016 PHE N 2.251 C A 0015 TYR O
E A 0017 PRO N 2.245 E A 0016 PHE O
E A 0018 ARG N 2.248 E A 0017 PRO O
E A 0018 ARG N 2.833 E A 0031 PHE O
E A 0019 PHE N 2.243 E A 0018 ARG O
E A 0019 PHE N 2.712 E A 0043 PHE O
E A 0020 TYR N 2.254 E A 0019 PHE O
E A 0020 TYR N 2.852 E A 0029 THR O
E A 0021 PHE N 2.257 E A 0020 TYR O
E A 0022 ASP N 3.018 E A 0020 TYR O
E A 0022 ASP N 2.250 E A 0021 PHE O
E A 0022 ASP N 2.634 E A 0027 LYS O
C A 0023 SER N 2.756 E A 0021 PHE O
C A 0023 SER N 2.259 E A 0022 ASP O
C A 0024 GLU N 3.168 E A 0022 ASP O
C A 0024 GLU N 2.256 C A 0023 SER O
C A 0025 THR N 3.029 E A 0022 ASP O
C A 0025 THR N 2.253 C A 0024 GLU O
C A 0026 GLY N 2.656 E A 0022 ASP O
C A 0026 GLY N 2.243 C A 0025 THR O
E A 0027 LYS N 2.881 E A 0022 ASP O
E A 0027 LYS N 2.241 C A 0026 GLY O
E A 0028 CYS N 2.224 E A 0027 LYS O
E A 0029 THR N 2.885 E A 0020 TYR O
E A 0029 THR N 2.242 E A 0028 CYS O
E A 0030 PRO N 2.260 E A 0029 THR O
E A 0031 PHE N 2.754 E A 0018 ARG O
E A 0031 PHE N 2.243 E A 0030 PRO O
E A 0032 ILE N 2.243 E A 0031 PHE O
E A 0033 TYR N 2.845 E A 0016 PHE O
E A 0033 TYR N 2.255 E A 0032 ILE O
C A 0034 GLY N 2.236 E A 0033 TYR O
C A 0035 GLY N 2.260 C A 0034 GLY O
C A 0036 CYS N 3.096 C A 0034 GLY O
C A 0036 CYS N 2.252 C A 0035 GLY O
C A 0037 GLY N 2.259 C A 0036 CYS O
C A 0038 GLY N 2.247 C A 0037 GLY O
C A 0039 ASN N 2.260 C A 0038 GLY O
C A 0040 GLY N 2.250 C A 0039 ASN O
C A 0041 ASN N 2.250 C A 0040 GLY O
C A 0042 ASN N 2.722 C A 0040 GLY O
C A 0042 ASN N 2.250 C A 0041 ASN O
E A 0043 PHE N 2.793 E A 0019 PHE O
E A 0043 PHE N 2.248 C A 0042 ASN O
C A 0044 GLU N 2.239 E A 0043 PHE O
H A 0045 THR N 3.152 E A 0043 PHE O
H A 0045 THR N 2.247 C A 0044 GLU O
H A 0046 LEU N 2.265 H A 0045 THR O
H A 0047 HIS N 2.247 H A 0046 LEU O
H A 0048 GLN N 3.197 H A 0045 THR O
H A 0048 GLN N 3.108 H A 0046 LEU O
H A 0048 GLN N 2.244 H A 0047 HIS O
H A 0049 CYS N 2.963 H A 0045 THR O
H A 0049 CYS N 3.112 H A 0046 LEU O
H A 0049 CYS N 2.251 H A 0048 GLN O
H A 0050 ARG N 2.665 H A 0046 LEU O
H A 0050 ARG N 3.032 H A 0048 GLN O
H A 0050 ARG N 2.241 H A 0049 CYS O
H A 0051 ALA N 2.800 H A 0047 HIS O
H A 0051 ALA N 2.263 H A 0050 ARG O
H A 0052 ILE N 2.860 H A 0048 GLN O
H A 0052 ILE N 2.948 H A 0050 ARG O
H A 0052 ILE N 2.247 H A 0051 ALA O
H A 0053 CYS N 2.785 H A 0050 ARG O
H A 0053 CYS N 2.249 H A 0052 ILE O
H A 0054 ARG N 2.731 H A 0050 ARG O
H A 0054 ARG N 2.244 H A 0053 CYS O
C A 0055 ALA N 2.260 H A 0054 ARG O
HB_MS 2.00 3.20 19
H A 0005 GLU O 2.738 C A 0041 ASN ND2
C A 0010 GLY O 2.622 C A 0013 LYS NZ
C A 0011 ARG O 2.675 C A 0013 LYS NZ
C A 0012 CYS O 2.662 C A 0013 LYS NZ
E A 0021 PHE N 2.805 C A 0041 ASN OD1
E A 0021 PHE O 2.770 C A 0041 ASN ND2
E A 0022 ASP O 2.748 C A 0025 THR OG1
C A 0023 SER N 3.093 C A 0024 GLU OE1
C A 0025 THR N 2.754 E A 0022 ASP OD1
C A 0026 GLY N 3.183 C A 0025 THR OG1
E A 0027 LYS N 3.077 C A 0025 THR OG1
E A 0028 CYS O 2.756 E A 0029 THR OG1
C A 0035 GLY O 2.678 E A 0033 TYR OH
C A 0040 GLY N 2.713 H A 0005 GLU OE2
C A 0041 ASN N 2.778 H A 0005 GLU OE2
C A 0042 ASN O 2.645 E A 0018 ARG NH1
H A 0048 GLN N 2.887 H A 0045 THR OG1
H A 0054 ARG O 2.696 H A 0050 ARG NH1
C A 0055 ALA O 2.769 H A 0050 ARG NH1
HB_SS 2.00 3.20 8
H A 0005 GLU OE1 2.717 C A 0039 ASN ND2
H A 0005 GLU OE2 3.190 C A 0039 ASN ND2
C A 0007 LYS NZ 2.631 E A 0020 TYR OH
E A 0018 ARG NH1 2.689 C A 0042 ASN OD1
E A 0022 ASP OD2 2.626 E A 0020 TYR OH
E A 0022 ASP OD1 2.543 C A 0025 THR OG1
E A 0027 LYS NZ 2.667 C A 0025 THR OG1
E A 0027 LYS NZ 2.690 E A 0029 THR OG1
AROMATIC 0.00 8.00 6
C A 0007 LYS 4.072 E A 0020 TYR
E A 0027 LYS 6.360 E A 0020 TYR
C A 0007 LYS 6.930 E A 0031 PHE
E A 0018 ARG 6.909 E A 0031 PHE
E A 0020 TYR 5.528 E A 0031 PHE
H A 0054 ARG 4.066 E A 0021 PHE
SS_BOND 1.50 2.80 3
H A 0003 CYS SG 2.088 H A 0053 CYS SG
C A 0012 CYS SG 2.085 C A 0036 CYS SG
E A 0028 CYS SG 2.075 H A 0049 CYS SG