Complet list of 1bdc con file
Complete list of 1bdc.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 305
C A 0001 THR CA 3.795 C A 0002 ALA CA
C A 0001 THR C 2.408 C A 0002 ALA CA
C A 0001 THR C 3.682 C A 0002 ALA C
C A 0001 THR C 3.097 C A 0002 ALA CB
C A 0002 ALA C 2.425 C A 0003 ASP CA
C A 0002 ALA C 3.401 C A 0003 ASP C
C A 0002 ALA C 3.539 C A 0003 ASP CB
C A 0003 ASP CA 3.799 C A 0004 ASN CA
C A 0003 ASP C 2.409 C A 0004 ASN CA
C A 0003 ASP C 3.075 C A 0004 ASN C
C A 0003 ASP C 3.669 C A 0004 ASN CB
C A 0004 ASN CA 3.791 C A 0005 LYS CA
C A 0004 ASN C 2.410 C A 0005 LYS CA
C A 0004 ASN C 3.614 C A 0005 LYS C
C A 0004 ASN C 3.242 C A 0005 LYS CB
C A 0005 LYS C 2.417 C A 0006 PHE CA
C A 0005 LYS C 3.301 C A 0006 PHE C
C A 0005 LYS C 3.584 C A 0006 PHE CB
C A 0005 LYS C 3.553 C A 0006 PHE CD1
C A 0005 LYS C 3.775 C A 0007 ASN CG
C A 0006 PHE CA 3.782 C A 0007 ASN CA
C A 0006 PHE C 2.410 C A 0007 ASN CA
C A 0006 PHE C 3.667 C A 0007 ASN C
C A 0006 PHE C 3.156 C A 0007 ASN CB
C A 0006 PHE C 3.087 C A 0007 ASN CG
C A 0006 PHE C 3.692 H A 0011 GLN CG
C A 0006 PHE CZ 3.429 C A 0039 PRO CA
C A 0006 PHE CZ 3.441 C A 0039 PRO C
C A 0006 PHE CZ 3.384 C A 0039 PRO CB
C A 0006 PHE CE2 3.619 H A 0042 SER CB
C A 0006 PHE CZ 3.305 H A 0042 SER CB
C A 0007 ASN C 2.425 C A 0008 LYS CA
C A 0007 ASN C 2.941 C A 0008 LYS C
C A 0007 ASN C 3.723 C A 0008 LYS CB
C A 0007 ASN CA 3.536 H A 0011 GLN CD
C A 0008 LYS C 2.420 C A 0009 GLU CA
C A 0008 LYS C 2.907 C A 0009 GLU C
C A 0008 LYS C 3.089 C A 0009 GLU CB
C A 0008 LYS C 3.651 C A 0009 GLU CG
C A 0008 LYS C 3.481 H A 0010 GLN CG
C A 0008 LYS C 3.578 H A 0010 GLN CD
C A 0008 LYS CG 3.631 H A 0010 GLN CG
C A 0009 GLU C 2.425 H A 0010 GLN CA
C A 0009 GLU C 3.285 H A 0010 GLN C
C A 0009 GLU C 3.665 H A 0010 GLN CB
C A 0009 GLU C 3.778 H A 0010 GLN CG
H A 0010 GLN CA 3.797 H A 0011 GLN CA
H A 0010 GLN C 2.413 H A 0011 GLN CA
H A 0010 GLN C 2.866 H A 0011 GLN C
H A 0010 GLN C 3.672 H A 0011 GLN CB
H A 0010 GLN C 3.578 H A 0011 GLN CD
H A 0010 GLN CD 3.431 H A 0043 ALA CA
H A 0010 GLN CD 3.570 H A 0043 ALA CB
H A 0010 GLN CA 3.717 H A 0046 LEU CD2
H A 0011 GLN CA 3.786 H A 0012 ASN CA
H A 0011 GLN C 2.404 H A 0012 ASN CA
H A 0011 GLN C 2.941 H A 0012 ASN C
H A 0011 GLN C 3.661 H A 0012 ASN CB
H A 0011 GLN C 3.790 H A 0012 ASN CG
H A 0011 GLN CD 3.506 H A 0012 ASN CG
H A 0012 ASN CA 3.784 H A 0013 ALA CA
H A 0012 ASN C 2.396 H A 0013 ALA CA
H A 0012 ASN C 2.961 H A 0013 ALA C
H A 0012 ASN C 3.664 H A 0013 ALA CB
H A 0013 ALA C 2.424 H A 0014 PHE CA
H A 0013 ALA C 2.814 H A 0014 PHE C
H A 0013 ALA C 3.671 H A 0014 PHE CB
H A 0013 ALA C 3.715 H A 0017 ILE CG1
H A 0013 ALA CB 3.246 H A 0046 LEU CD1
H A 0014 PHE CA 3.781 H A 0015 TYR CA
H A 0014 PHE C 2.384 H A 0015 TYR CA
H A 0014 PHE C 2.850 H A 0015 TYR C
H A 0014 PHE C 3.669 H A 0015 TYR CB
H A 0014 PHE CE2 3.664 H A 0015 TYR CE1
H A 0014 PHE CA 3.733 H A 0017 ILE CG1
H A 0014 PHE CA 3.791 H A 0017 ILE CD1
H A 0014 PHE CD1 3.610 H A 0018 LEU CD2
H A 0014 PHE CE1 3.625 H A 0018 LEU CD2
H A 0014 PHE CG 3.746 H A 0035 LEU CD2
H A 0014 PHE CE1 3.654 H A 0036 LYS CE
H A 0014 PHE CZ 3.743 H A 0036 LYS CE
H A 0015 TYR C 2.413 H A 0016 GLU CA
H A 0015 TYR C 3.178 H A 0016 GLU C
H A 0015 TYR C 3.656 H A 0016 GLU CB
H A 0016 GLU C 2.436 H A 0017 ILE CA
H A 0016 GLU C 2.844 H A 0017 ILE C
H A 0016 GLU C 3.695 H A 0017 ILE CB
H A 0017 ILE CA 3.782 H A 0018 LEU CA
H A 0017 ILE C 2.401 H A 0018 LEU CA
H A 0017 ILE C 3.190 H A 0018 LEU C
H A 0017 ILE C 3.610 H A 0018 LEU CB
H A 0017 ILE C 3.350 H A 0018 LEU CD2
H A 0017 ILE CB 3.665 H A 0018 LEU CD2
H A 0017 ILE CG2 3.546 H A 0031 PHE CE2
H A 0017 ILE CD1 3.797 H A 0046 LEU CD1
H A 0017 ILE CD1 3.663 H A 0046 LEU CD2
H A 0017 ILE CG1 3.659 H A 0050 LYS CE
H A 0018 LEU CA 3.793 H A 0019 HIS CA
H A 0018 LEU C 2.415 H A 0019 HIS CA
H A 0018 LEU C 3.603 H A 0019 HIS C
H A 0018 LEU C 3.294 H A 0019 HIS CB
H A 0018 LEU C 3.258 H A 0019 HIS CG
H A 0018 LEU C 3.601 H A 0019 HIS CD2
H A 0018 LEU CD1 3.471 H A 0032 ILE CD1
H A 0018 LEU CD2 3.339 H A 0032 ILE CD1
H A 0019 HIS C 2.439 C A 0020 LEU CA
H A 0019 HIS C 2.916 C A 0020 LEU C
H A 0019 HIS C 3.620 C A 0020 LEU CB
H A 0019 HIS C 3.690 C A 0021 PRO CD
C A 0020 LEU CA 2.905 C A 0021 PRO CD
C A 0020 LEU C 2.461 C A 0021 PRO CA
C A 0020 LEU C 3.176 C A 0021 PRO C
C A 0020 LEU C 3.668 C A 0021 PRO CB
C A 0020 LEU C 3.695 C A 0021 PRO CG
C A 0020 LEU C 2.501 C A 0021 PRO CD
C A 0020 LEU CB 3.468 C A 0023 LEU CD1
C A 0020 LEU CD1 3.427 C A 0023 LEU CD1
C A 0020 LEU CD2 3.234 H A 0053 ASN CG
C A 0021 PRO CA 3.797 C A 0022 ASN CA
C A 0021 PRO C 2.398 C A 0022 ASN CA
C A 0021 PRO C 3.335 C A 0022 ASN C
C A 0021 PRO C 3.566 C A 0022 ASN CB
C A 0021 PRO C 3.787 C A 0022 ASN CG
C A 0022 ASN C 2.418 C A 0023 LEU CA
C A 0022 ASN C 3.588 C A 0023 LEU C
C A 0022 ASN C 3.398 C A 0023 LEU CB
C A 0022 ASN C 3.305 C A 0023 LEU CG
C A 0022 ASN C 3.246 C A 0023 LEU CD2
C A 0022 ASN CB 3.690 C A 0057 ALA CA
C A 0023 LEU CA 3.758 C A 0024 ASN CA
C A 0023 LEU C 2.406 C A 0024 ASN CA
C A 0023 LEU C 3.164 C A 0024 ASN C
C A 0023 LEU C 3.625 C A 0024 ASN CB
C A 0023 LEU CD1 3.164 H A 0052 LEU CD2
C A 0023 LEU CD2 3.718 H A 0052 LEU CD2
C A 0023 LEU CD2 3.738 H A 0053 ASN CA
C A 0024 ASN CA 3.754 H A 0025 GLU CA
C A 0024 ASN C 2.360 H A 0025 GLU CA
C A 0024 ASN C 3.193 H A 0025 GLU C
C A 0024 ASN C 3.582 H A 0025 GLU CB
H A 0025 GLU CA 3.774 H A 0026 GLU CA
H A 0025 GLU C 2.369 H A 0026 GLU CA
H A 0025 GLU C 2.774 H A 0026 GLU C
H A 0025 GLU C 3.663 H A 0026 GLU CB
H A 0025 GLU CA 3.754 H A 0028 ARG CB
H A 0025 GLU CG 3.747 H A 0028 ARG CZ
H A 0026 GLU CA 3.778 H A 0027 GLN CA
H A 0026 GLU C 2.407 H A 0027 GLN CA
H A 0026 GLU C 3.057 H A 0027 GLN C
H A 0026 GLU C 3.679 H A 0027 GLN CB
H A 0027 GLN CA 3.791 H A 0028 ARG CA
H A 0027 GLN C 2.404 H A 0028 ARG CA
H A 0027 GLN C 2.899 H A 0028 ARG C
H A 0027 GLN C 3.698 H A 0028 ARG CB
H A 0027 GLN C 3.795 H A 0031 PHE CE1
H A 0027 GLN CB 3.681 H A 0052 LEU CD1
H A 0028 ARG CA 3.746 H A 0029 ASN CA
H A 0028 ARG C 2.385 H A 0029 ASN CA
H A 0028 ARG C 2.752 H A 0029 ASN C
H A 0028 ARG C 3.648 H A 0029 ASN CB
H A 0028 ARG CA 3.545 H A 0031 PHE CE1
H A 0028 ARG CA 3.710 H A 0031 PHE CE2
H A 0028 ARG CA 3.388 H A 0031 PHE CZ
H A 0028 ARG CG 3.345 H A 0031 PHE CE2
H A 0028 ARG CG 3.400 H A 0031 PHE CZ
H A 0028 ARG C 3.468 H A 0032 ILE CG1
H A 0028 ARG C 3.797 H A 0032 ILE CD1
H A 0029 ASN CA 3.770 H A 0030 GLY CA
H A 0029 ASN C 2.393 H A 0030 GLY CA
H A 0029 ASN C 2.932 H A 0030 GLY C
H A 0029 ASN C 3.657 H A 0033 GLN CB
H A 0030 GLY C 2.394 H A 0031 PHE CA
H A 0030 GLY C 2.916 H A 0031 PHE C
H A 0030 GLY C 3.758 H A 0031 PHE CB
H A 0031 PHE CA 3.718 H A 0032 ILE CA
H A 0031 PHE C 2.334 H A 0032 ILE CA
H A 0031 PHE C 2.978 H A 0032 ILE C
H A 0031 PHE C 3.589 H A 0032 ILE CB
H A 0031 PHE CD2 3.763 H A 0032 ILE CG1
H A 0031 PHE CA 3.708 H A 0045 LEU CG
H A 0031 PHE C 3.751 H A 0045 LEU CG
H A 0031 PHE C 3.508 H A 0045 LEU CD2
H A 0031 PHE CB 3.551 H A 0045 LEU CG
H A 0031 PHE CD2 3.445 H A 0049 ALA CB
H A 0031 PHE CE2 3.086 H A 0049 ALA CB
H A 0031 PHE CZ 3.756 H A 0049 ALA CA
H A 0031 PHE CZ 3.511 H A 0049 ALA CB
H A 0032 ILE CA 3.791 H A 0033 GLN CA
H A 0032 ILE C 2.383 H A 0033 GLN CA
H A 0032 ILE C 2.769 H A 0033 GLN C
H A 0032 ILE C 3.707 H A 0033 GLN CB
H A 0032 ILE CA 3.669 H A 0035 LEU CB
H A 0032 ILE C 3.762 H A 0035 LEU CB
H A 0032 ILE C 3.353 H A 0036 LYS CD
H A 0033 GLN CA 3.741 H A 0034 SER CA
H A 0033 GLN C 2.376 H A 0034 SER CA
H A 0033 GLN C 3.055 H A 0034 SER C
H A 0033 GLN C 3.640 H A 0034 SER CB
H A 0034 SER C 2.426 H A 0035 LEU CA
H A 0034 SER C 2.988 H A 0035 LEU C
H A 0034 SER C 3.697 H A 0035 LEU CB
H A 0034 SER C 3.767 C A 0038 ASP C
H A 0034 SER CB 3.561 H A 0045 LEU CD2
H A 0035 LEU C 2.412 H A 0036 LYS CA
H A 0035 LEU C 3.245 H A 0036 LYS C
H A 0035 LEU C 3.651 H A 0036 LYS CB
H A 0035 LEU CA 3.762 H A 0042 SER CB
H A 0036 LYS C 2.414 H A 0037 ASP CA
H A 0036 LYS C 3.201 H A 0037 ASP C
H A 0036 LYS C 3.641 H A 0037 ASP CB
H A 0037 ASP CA 3.794 C A 0038 ASP CA
H A 0037 ASP C 2.406 C A 0038 ASP CA
H A 0037 ASP C 3.644 C A 0038 ASP C
H A 0037 ASP C 3.175 C A 0038 ASP CB
H A 0037 ASP C 3.476 C A 0038 ASP CG
C A 0038 ASP CA 2.847 C A 0039 PRO CD
C A 0038 ASP C 2.429 C A 0039 PRO CA
C A 0038 ASP C 3.081 C A 0039 PRO C
C A 0038 ASP C 3.656 C A 0039 PRO CB
C A 0038 ASP C 3.667 C A 0039 PRO CG
C A 0038 ASP C 2.475 C A 0039 PRO CD
C A 0039 PRO C 2.427 C A 0040 SER CA
C A 0039 PRO C 3.291 C A 0040 SER C
C A 0039 PRO C 3.619 C A 0040 SER CB
C A 0040 SER C 2.440 C A 0041 GLN CA
C A 0040 SER C 3.175 C A 0041 GLN C
C A 0040 SER C 3.683 C A 0041 GLN CB
C A 0041 GLN CA 3.787 H A 0042 SER CA
C A 0041 GLN C 2.412 H A 0042 SER CA
C A 0041 GLN C 2.929 H A 0042 SER C
C A 0041 GLN C 3.596 H A 0042 SER CB
H A 0042 SER CA 3.780 H A 0043 ALA CA
H A 0042 SER C 2.389 H A 0043 ALA CA
H A 0042 SER C 3.029 H A 0043 ALA C
H A 0042 SER C 3.642 H A 0043 ALA CB
H A 0042 SER CA 3.731 H A 0045 LEU CD2
H A 0042 SER C 3.768 H A 0045 LEU CB
H A 0043 ALA CA 3.746 H A 0044 ASN CA
H A 0043 ALA C 2.359 H A 0044 ASN CA
H A 0043 ALA C 2.861 H A 0044 ASN C
H A 0043 ALA C 3.612 H A 0044 ASN CB
H A 0044 ASN C 2.422 H A 0045 LEU CA
H A 0044 ASN C 2.908 H A 0045 LEU C
H A 0044 ASN C 3.693 H A 0045 LEU CB
H A 0045 LEU CA 3.741 H A 0046 LEU CA
H A 0045 LEU C 2.380 H A 0046 LEU CA
H A 0045 LEU C 2.806 H A 0046 LEU C
H A 0045 LEU C 3.617 H A 0046 LEU CB
H A 0046 LEU CA 3.781 H A 0047 ALA CA
H A 0046 LEU C 2.399 H A 0047 ALA CA
H A 0046 LEU C 2.927 H A 0047 ALA C
H A 0046 LEU C 3.663 H A 0047 ALA CB
H A 0047 ALA C 2.420 H A 0048 GLU CA
H A 0047 ALA C 2.943 H A 0048 GLU C
H A 0047 ALA C 3.667 H A 0048 GLU CB
H A 0048 GLU C 2.415 H A 0049 ALA CA
H A 0048 GLU C 2.999 H A 0049 ALA C
H A 0048 GLU C 3.686 H A 0049 ALA CB
H A 0049 ALA CA 3.792 H A 0050 LYS CA
H A 0049 ALA C 2.409 H A 0050 LYS CA
H A 0049 ALA C 2.830 H A 0050 LYS C
H A 0049 ALA C 3.681 H A 0050 LYS CB
H A 0050 LYS CA 3.792 H A 0051 LYS CA
H A 0050 LYS C 2.410 H A 0051 LYS CA
H A 0050 LYS C 3.038 H A 0051 LYS C
H A 0050 LYS C 3.674 H A 0051 LYS CB
H A 0050 LYS C 3.791 H A 0053 ASN CB
H A 0051 LYS CA 3.794 H A 0052 LEU CA
H A 0051 LYS C 2.416 H A 0052 LEU CA
H A 0051 LYS C 2.953 H A 0052 LEU C
H A 0051 LYS C 3.691 H A 0052 LEU CB
H A 0052 LEU C 2.427 H A 0053 ASN CA
H A 0052 LEU C 3.068 H A 0053 ASN C
H A 0052 LEU C 3.682 H A 0053 ASN CB
H A 0053 ASN CA 3.797 H A 0054 ASP CA
H A 0053 ASN C 2.413 H A 0054 ASP CA
H A 0053 ASN C 2.961 H A 0054 ASP C
H A 0053 ASN C 3.679 H A 0054 ASP CB
H A 0054 ASP CA 3.793 H A 0055 ALA CA
H A 0054 ASP C 2.409 H A 0055 ALA CA
H A 0054 ASP C 2.924 H A 0055 ALA C
H A 0054 ASP C 3.672 H A 0055 ALA CB
H A 0055 ALA C 2.416 C A 0056 GLN CA
H A 0055 ALA C 3.650 C A 0056 GLN C
H A 0055 ALA C 3.227 C A 0056 GLN CB
H A 0055 ALA C 3.584 C A 0056 GLN CG
C A 0056 GLN C 2.406 C A 0057 ALA CA
C A 0056 GLN C 3.240 C A 0057 ALA C
C A 0056 GLN C 3.619 C A 0057 ALA CB
C A 0057 ALA CA 2.917 C A 0058 PRO CD
C A 0057 ALA C 2.440 C A 0058 PRO CA
C A 0057 ALA C 3.001 C A 0058 PRO C
C A 0057 ALA C 3.672 C A 0058 PRO CB
C A 0057 ALA C 3.694 C A 0058 PRO CG
C A 0057 ALA C 2.497 C A 0058 PRO CD
C A 0057 ALA CB 3.720 C A 0058 PRO CD
C A 0058 PRO CA 3.788 C A 0059 LYS CA
C A 0058 PRO C 2.404 C A 0059 LYS CA
C A 0058 PRO C 3.664 C A 0059 LYS C
C A 0058 PRO C 3.114 C A 0059 LYS CB
C A 0058 PRO C 3.566 C A 0059 LYS CG
C A 0059 LYS CA 3.796 C A 0060 ALA CA
C A 0059 LYS C 2.410 C A 0060 ALA CA
C A 0059 LYS C 3.074 C A 0060 ALA C
C A 0059 LYS C 3.670 C A 0060 ALA CB
CHARGE_ATTR 2.00 12.00 31
C A 0009 GLU OE1 11.51 C A 0005 LYS NZ
C A 0009 GLU OE1 9.960 C A 0008 LYS NZ
C A 0009 GLU OE2 11.27 C A 0008 LYS NZ
C A 0009 GLU OE1 9.503 H A 0050 LYS NZ
C A 0009 GLU OE2 9.963 H A 0050 LYS NZ
H A 0016 GLU OE1 5.874 H A 0019 HIS ND1
H A 0016 GLU OE1 7.740 H A 0019 HIS NE2
H A 0016 GLU OE2 7.436 H A 0019 HIS ND1
H A 0016 GLU OE2 9.391 H A 0019 HIS NE2
H A 0016 GLU OE1 7.194 H A 0050 LYS NZ
H A 0016 GLU OE2 6.470 H A 0050 LYS NZ
H A 0025 GLU OE1 10.75 H A 0019 HIS ND1
H A 0025 GLU OE1 10.19 H A 0019 HIS NE2
H A 0025 GLU OE2 10.99 H A 0019 HIS ND1
H A 0025 GLU OE2 10.65 H A 0019 HIS NE2
H A 0025 GLU OE1 3.820 H A 0028 ARG NH1
H A 0025 GLU OE1 5.295 H A 0028 ARG NH2
H A 0025 GLU OE2 4.270 H A 0028 ARG NH1
H A 0025 GLU OE2 6.209 H A 0028 ARG NH2
H A 0025 GLU OE1 7.986 H A 0036 LYS NZ
H A 0025 GLU OE2 6.126 H A 0036 LYS NZ
H A 0037 ASP OD1 6.760 H A 0036 LYS NZ
H A 0037 ASP OD2 8.584 H A 0036 LYS NZ
C A 0038 ASP OD1 11.82 H A 0036 LYS NZ
H A 0048 GLU OE1 6.732 H A 0051 LYS NZ
H A 0048 GLU OE2 8.918 H A 0051 LYS NZ
H A 0054 ASP OD2 11.81 H A 0050 LYS NZ
H A 0054 ASP OD1 10.14 H A 0051 LYS NZ
H A 0054 ASP OD2 10.15 H A 0051 LYS NZ
H A 0054 ASP OD1 6.314 C A 0059 LYS NZ
H A 0054 ASP OD2 7.594 C A 0059 LYS NZ
CHARGE_REPU 2.00 12.00 28
C A 0005 LYS NZ 4.313 C A 0008 LYS NZ
C A 0009 GLU OE1 11.07 H A 0016 GLU OE1
C A 0009 GLU OE1 8.936 H A 0016 GLU OE2
C A 0009 GLU OE2 10.02 H A 0016 GLU OE1
C A 0009 GLU OE2 7.886 H A 0016 GLU OE2
H A 0019 HIS ND1 7.766 H A 0028 ARG NH1
H A 0019 HIS ND1 8.042 H A 0028 ARG NH2
H A 0019 HIS NE2 7.816 H A 0028 ARG NH1
H A 0019 HIS NE2 8.288 H A 0028 ARG NH2
H A 0019 HIS ND1 10.44 H A 0036 LYS NZ
H A 0019 HIS NE2 10.54 H A 0036 LYS NZ
H A 0019 HIS ND1 8.440 H A 0050 LYS NZ
H A 0019 HIS NE2 10.46 H A 0050 LYS NZ
H A 0025 GLU OE1 10.86 H A 0026 GLU OE1
H A 0025 GLU OE1 11.70 H A 0026 GLU OE2
H A 0025 GLU OE2 11.02 H A 0026 GLU OE1
H A 0025 GLU OE2 11.52 H A 0026 GLU OE2
H A 0025 GLU OE2 10.26 H A 0037 ASP OD1
H A 0025 GLU OE2 11.08 H A 0037 ASP OD2
H A 0028 ARG NH1 7.671 H A 0036 LYS NZ
H A 0028 ARG NH2 9.833 H A 0036 LYS NZ
H A 0028 ARG NH1 9.813 H A 0050 LYS NZ
H A 0028 ARG NH2 9.608 H A 0050 LYS NZ
H A 0036 LYS NZ 11.50 H A 0050 LYS NZ
H A 0037 ASP OD1 6.411 C A 0038 ASP OD1
H A 0037 ASP OD1 8.364 C A 0038 ASP OD2
H A 0037 ASP OD2 6.129 C A 0038 ASP OD1
H A 0037 ASP OD2 8.277 C A 0038 ASP OD2
HB_MM 2.00 3.20 115
C A 0002 ALA N 2.216 C A 0001 THR O
C A 0003 ASP N 2.222 C A 0002 ALA O
C A 0004 ASN N 2.216 C A 0003 ASP O
C A 0005 LYS N 2.214 C A 0004 ASN O
C A 0006 PHE N 2.220 C A 0005 LYS O
C A 0007 ASN N 2.218 C A 0006 PHE O
C A 0008 LYS N 2.217 C A 0007 ASN O
C A 0009 GLU N 2.339 C A 0007 ASN O
C A 0009 GLU N 2.201 C A 0008 LYS O
H A 0010 GLN N 2.676 C A 0008 LYS O
H A 0010 GLN N 2.219 C A 0009 GLU O
H A 0011 GLN N 2.209 H A 0010 GLN O
H A 0012 ASN N 3.085 H A 0010 GLN O
H A 0012 ASN N 2.223 H A 0011 GLN O
H A 0013 ALA N 2.983 H A 0010 GLN O
H A 0013 ALA N 2.209 H A 0012 ASN O
H A 0014 PHE N 2.782 H A 0010 GLN O
H A 0014 PHE N 2.212 H A 0013 ALA O
H A 0015 TYR N 3.024 H A 0013 ALA O
H A 0015 TYR N 2.208 H A 0014 PHE O
H A 0016 GLU N 2.413 H A 0013 ALA O
H A 0016 GLU N 2.729 H A 0014 PHE O
H A 0016 GLU N 2.214 H A 0015 TYR O
H A 0017 ILE N 2.679 H A 0013 ALA O
H A 0017 ILE N 2.921 H A 0014 PHE O
H A 0017 ILE N 2.222 H A 0016 GLU O
H A 0018 LEU N 2.582 H A 0016 GLU O
H A 0018 LEU N 2.206 H A 0017 ILE O
H A 0019 HIS N 2.692 H A 0016 GLU O
H A 0019 HIS N 2.887 H A 0017 ILE O
H A 0019 HIS N 2.217 H A 0018 LEU O
C A 0020 LEU N 2.218 H A 0019 HIS O
C A 0021 PRO N 2.702 H A 0019 HIS O
C A 0021 PRO N 2.252 C A 0020 LEU O
C A 0022 ASN N 3.126 C A 0020 LEU O
C A 0022 ASN N 2.211 C A 0021 PRO O
C A 0023 LEU N 2.227 C A 0022 ASN O
C A 0024 ASN N 2.231 C A 0023 LEU O
H A 0025 GLU N 2.206 C A 0024 ASN O
H A 0026 GLU N 2.191 H A 0025 GLU O
H A 0027 GLN N 3.074 H A 0025 GLU O
H A 0027 GLN N 2.225 H A 0026 GLU O
H A 0028 ARG N 3.134 H A 0025 GLU O
H A 0028 ARG N 2.238 H A 0027 GLN O
H A 0029 ASN N 2.452 H A 0025 GLU O
H A 0029 ASN N 2.218 H A 0028 ARG O
H A 0030 GLY N 2.863 H A 0027 GLN O
H A 0030 GLY N 2.518 H A 0028 ARG O
H A 0030 GLY N 2.177 H A 0029 ASN O
H A 0031 PHE N 2.939 H A 0028 ARG O
H A 0031 PHE N 2.246 H A 0030 GLY O
H A 0032 ILE N 2.177 H A 0031 PHE O
H A 0033 GLN N 2.487 H A 0029 ASN O
H A 0033 GLN N 3.154 H A 0030 GLY O
H A 0033 GLN N 2.206 H A 0032 ILE O
H A 0034 SER N 3.016 H A 0031 PHE O
H A 0034 SER N 2.658 H A 0032 ILE O
H A 0034 SER N 2.218 H A 0033 GLN O
H A 0035 LEU N 2.411 H A 0032 ILE O
H A 0035 LEU N 2.225 H A 0034 SER O
H A 0036 LYS N 3.022 H A 0032 ILE O
H A 0036 LYS N 2.213 H A 0035 LEU O
H A 0037 ASP N 3.106 H A 0033 GLN O
H A 0037 ASP N 2.213 H A 0036 LYS O
C A 0038 ASP N 2.452 H A 0034 SER O
C A 0038 ASP N 2.208 H A 0037 ASP O
C A 0039 PRO N 2.231 C A 0038 ASP O
C A 0040 SER N 2.517 C A 0038 ASP O
C A 0040 SER N 2.219 C A 0039 PRO O
C A 0041 GLN N 2.224 C A 0040 SER O
H A 0042 SER N 3.058 C A 0040 SER O
H A 0042 SER N 2.205 C A 0041 GLN O
H A 0043 ALA N 2.877 C A 0041 GLN O
H A 0043 ALA N 2.201 H A 0042 SER O
H A 0044 ASN N 3.015 C A 0041 GLN O
H A 0044 ASN N 2.205 H A 0043 ALA O
H A 0045 LEU N 2.841 C A 0041 GLN O
H A 0045 LEU N 3.016 H A 0043 ALA O
H A 0045 LEU N 2.225 H A 0044 ASN O
H A 0046 LEU N 3.121 H A 0042 SER O
H A 0046 LEU N 2.852 H A 0043 ALA O
H A 0046 LEU N 2.218 H A 0045 LEU O
H A 0047 ALA N 3.084 H A 0044 ASN O
H A 0047 ALA N 3.109 H A 0045 LEU O
H A 0047 ALA N 2.202 H A 0046 LEU O
H A 0048 GLU N 3.174 H A 0044 ASN O
H A 0048 GLU N 3.131 H A 0045 LEU O
H A 0048 GLU N 2.218 H A 0047 ALA O
H A 0049 ALA N 2.836 H A 0045 LEU O
H A 0049 ALA N 3.161 H A 0046 LEU O
H A 0049 ALA N 2.997 H A 0047 ALA O
H A 0049 ALA N 2.210 H A 0048 GLU O
H A 0050 LYS N 3.193 H A 0047 ALA O
H A 0050 LYS N 2.220 H A 0049 ALA O
H A 0051 LYS N 3.176 H A 0048 GLU O
H A 0051 LYS N 2.696 H A 0049 ALA O
H A 0051 LYS N 2.216 H A 0050 LYS O
H A 0052 LEU N 2.999 H A 0048 GLU O
H A 0052 LEU N 2.670 H A 0049 ALA O
H A 0052 LEU N 2.225 H A 0051 LYS O
H A 0053 ASN N 3.018 H A 0049 ALA O
H A 0053 ASN N 2.742 H A 0051 LYS O
H A 0053 ASN N 2.220 H A 0052 LEU O
H A 0054 ASP N 2.217 H A 0053 ASN O
H A 0055 ALA N 3.168 H A 0053 ASN O
H A 0055 ALA N 2.215 H A 0054 ASP O
C A 0056 GLN N 2.937 H A 0053 ASN O
C A 0056 GLN N 2.494 H A 0054 ASP O
C A 0056 GLN N 2.219 H A 0055 ALA O
C A 0057 ALA N 2.903 H A 0053 ASN O
C A 0057 ALA N 2.974 H A 0054 ASP O
C A 0057 ALA N 2.214 C A 0056 GLN O
C A 0058 PRO N 2.236 C A 0057 ALA O
C A 0059 LYS N 2.213 C A 0058 PRO O
C A 0060 ALA N 2.213 C A 0059 LYS O
HB_MS 2.00 3.20 11
C A 0005 LYS N 3.133 C A 0004 ASN OD1
C A 0006 PHE O 2.996 C A 0007 ASN ND2
C A 0007 ASN O 2.666 H A 0011 GLN NE2
C A 0008 LYS O 2.637 H A 0010 GLN NE2
C A 0009 GLU O 3.068 H A 0012 ASN ND2
H A 0012 ASN N 3.001 H A 0011 GLN OE1
H A 0015 TYR O 3.095 H A 0019 HIS ND1
H A 0030 GLY O 2.920 H A 0034 SER OG
H A 0031 PHE O 2.421 H A 0034 SER OG
C A 0038 ASP O 3.066 H A 0042 SER OG
C A 0040 SER N 3.092 H A 0042 SER OG
HB_SS 2.00 3.20 3
H A 0012 ASN ND2 3.031 H A 0011 GLN OE1
C A 0040 SER OG 2.542 C A 0041 GLN OE1
H A 0053 ASN ND2 2.470 C A 0022 ASN OD1
AROMATIC 0.00 8.00 2
H A 0036 LYS 4.347 H A 0014 PHE
H A 0028 ARG 7.434 H A 0019 HIS