Complet list of 1ekz con file
Complete list of 1ekz.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "A"
HB_SD 2.00 3.20 3
C B 0015 U O4 2.716 C A 0007 LYS NZ
C B 0015 U N3 3.063 H A 0015 GLU OE2
C B 0016 C N4 3.158 H A 0015 GLU OE2
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 326
C A 0001 MET C 2.416 C A 0002 ASP CA
C A 0001 MET C 3.603 C A 0002 ASP C
C A 0001 MET C 3.281 C A 0002 ASP CB
C A 0001 MET C 3.086 C A 0002 ASP CG
C A 0002 ASP C 2.435 C A 0003 GLU CA
C A 0002 ASP C 3.333 C A 0003 GLU C
C A 0002 ASP C 3.597 C A 0003 GLU CB
C A 0002 ASP C 3.636 C A 0003 GLU CG
C A 0003 GLU C 2.447 C A 0004 GLY CA
C A 0003 GLU C 3.405 C A 0004 GLY C
C A 0004 GLY C 2.425 C A 0005 ASP CA
C A 0004 GLY C 3.381 C A 0005 ASP C
C A 0004 GLY C 3.568 C A 0005 ASP CB
C A 0005 ASP C 2.447 C A 0006 LYS CA
C A 0005 ASP C 3.703 C A 0006 LYS C
C A 0005 ASP C 3.145 C A 0006 LYS CB
C A 0005 ASP C 3.494 C A 0006 LYS CG
C A 0005 ASP CG 3.507 H A 0063 LYS CE
C A 0006 LYS C 2.446 C A 0007 LYS CA
C A 0006 LYS C 3.729 C A 0007 LYS C
C A 0006 LYS C 3.025 C A 0007 LYS CB
C A 0006 LYS C 3.653 C A 0007 LYS CG
C A 0007 LYS C 2.431 H A 0008 SER CA
C A 0007 LYS C 3.188 H A 0008 SER C
C A 0007 LYS C 3.669 H A 0008 SER CB
H A 0008 SER CA 2.803 H A 0009 PRO CD
H A 0008 SER C 2.446 H A 0009 PRO CA
H A 0008 SER C 3.159 H A 0009 PRO C
H A 0008 SER C 3.615 H A 0009 PRO CB
H A 0008 SER C 3.654 H A 0009 PRO CG
H A 0008 SER C 2.460 H A 0009 PRO CD
H A 0008 SER CB 3.677 H A 0009 PRO CD
H A 0009 PRO C 2.452 H A 0010 ILE CA
H A 0009 PRO C 2.902 H A 0010 ILE C
H A 0009 PRO C 3.705 H A 0010 ILE CB
H A 0009 PRO C 3.505 H A 0013 VAL CG2
H A 0009 PRO CG 3.800 H A 0063 LYS CA
H A 0009 PRO CA 3.628 H A 0070 LEU CD1
H A 0009 PRO CB 3.468 H A 0070 LEU CD1
H A 0010 ILE C 2.432 H A 0011 SER CA
H A 0010 ILE C 2.939 H A 0011 SER C
H A 0010 ILE C 3.713 H A 0011 SER CB
H A 0010 ILE CG2 3.741 H A 0014 HIS CD2
H A 0010 ILE CG2 3.642 E A 0026 PHE CE2
H A 0010 ILE CD1 3.726 H A 0062 LYS CG
H A 0010 ILE CD1 3.674 H A 0062 LYS CE
H A 0011 SER C 2.428 H A 0012 GLN CA
H A 0011 SER C 2.983 H A 0012 GLN C
H A 0011 SER C 3.707 H A 0012 GLN CB
H A 0011 SER C 3.797 H A 0015 GLU CG
H A 0012 GLN C 2.421 H A 0013 VAL CA
H A 0012 GLN C 2.938 H A 0013 VAL C
H A 0012 GLN C 3.720 H A 0013 VAL CB
H A 0013 VAL C 2.430 H A 0014 HIS CA
H A 0013 VAL C 3.016 H A 0014 HIS C
H A 0013 VAL C 3.695 H A 0014 HIS CB
H A 0013 VAL C 3.467 C A 0024 VAL CG2
H A 0013 VAL CB 3.774 C A 0024 VAL CG1
H A 0013 VAL CG1 3.215 C A 0024 VAL CG1
H A 0013 VAL CG1 3.600 C A 0024 VAL CG2
H A 0013 VAL CA 3.663 H A 0070 LEU CD2
H A 0013 VAL CG2 3.174 H A 0070 LEU CG
H A 0013 VAL CG2 3.506 H A 0070 LEU CD1
H A 0013 VAL CG2 3.249 H A 0070 LEU CD2
H A 0014 HIS C 2.444 H A 0015 GLU CA
H A 0014 HIS C 2.950 H A 0015 GLU C
H A 0014 HIS C 3.716 H A 0015 GLU CB
H A 0014 HIS CA 3.609 C A 0024 VAL CG2
H A 0014 HIS CD2 3.743 C A 0024 VAL CB
H A 0014 HIS CD2 3.230 C A 0024 VAL CG1
H A 0014 HIS CE1 3.670 C A 0024 VAL CB
H A 0014 HIS CD2 3.730 E A 0026 PHE CE2
H A 0015 GLU C 2.438 H A 0016 ILE CA
H A 0015 GLU C 3.073 H A 0016 ILE C
H A 0015 GLU C 3.709 H A 0016 ILE CB
H A 0016 ILE C 2.440 H A 0017 GLY CA
H A 0016 ILE C 2.950 H A 0017 GLY C
H A 0017 GLY C 2.438 H A 0018 ILE CA
H A 0017 GLY C 3.142 H A 0018 ILE C
H A 0017 GLY C 3.687 H A 0018 ILE CB
H A 0017 GLY CA 3.632 C A 0022 MET CB
H A 0018 ILE C 2.449 H A 0019 LYS CA
H A 0018 ILE C 2.990 H A 0019 LYS C
H A 0018 ILE C 3.712 H A 0019 LYS CB
H A 0019 LYS C 2.438 H A 0020 ARG CA
H A 0019 LYS C 3.324 H A 0020 ARG C
H A 0019 LYS C 3.611 H A 0020 ARG CB
H A 0020 ARG C 2.474 C A 0021 ASN CA
H A 0020 ARG C 3.696 C A 0021 ASN C
H A 0020 ARG C 2.924 C A 0021 ASN CB
C A 0021 ASN C 2.426 C A 0022 MET CA
C A 0021 ASN C 3.601 C A 0022 MET C
C A 0021 ASN C 3.343 C A 0022 MET CB
C A 0021 ASN C 3.150 C A 0022 MET CG
C A 0022 MET C 2.432 C A 0023 THR CA
C A 0022 MET C 3.082 C A 0023 THR C
C A 0022 MET C 3.693 C A 0023 THR CB
C A 0022 MET CB 3.143 E A 0046 VAL CG2
C A 0022 MET CE 3.789 C A 0048 SER CB
C A 0023 THR C 2.431 C A 0024 VAL CA
C A 0023 THR C 3.166 C A 0024 VAL C
C A 0023 THR C 3.669 C A 0024 VAL CB
C A 0023 THR CB 3.780 E A 0025 HIS CD2
C A 0023 THR CB 3.675 E A 0025 HIS CE1
C A 0024 VAL C 2.431 E A 0025 HIS CA
C A 0024 VAL C 3.560 E A 0025 HIS C
C A 0024 VAL C 3.399 E A 0025 HIS CB
C A 0024 VAL C 3.323 E A 0025 HIS CG
C A 0024 VAL C 3.793 E A 0025 HIS CE1
C A 0024 VAL CG1 3.170 E A 0026 PHE CE2
C A 0024 VAL CG1 3.219 E A 0026 PHE CZ
E A 0025 HIS C 2.437 E A 0026 PHE CA
E A 0025 HIS C 3.406 E A 0026 PHE C
E A 0025 HIS C 3.554 E A 0026 PHE CB
E A 0025 HIS C 3.611 E A 0026 PHE CG
E A 0025 HIS CB 3.469 E A 0045 ILE CG2
E A 0026 PHE C 2.430 E A 0027 LYS CA
E A 0026 PHE C 3.673 E A 0027 LYS C
E A 0026 PHE C 3.198 E A 0027 LYS CB
E A 0026 PHE C 3.461 E A 0027 LYS CG
E A 0026 PHE CD1 3.333 E A 0044 CYS CB
E A 0026 PHE CE1 3.593 E A 0044 CYS CB
E A 0026 PHE CE1 3.451 H A 0066 ALA CB
E A 0027 LYS C 2.438 E A 0028 VAL CA
E A 0027 LYS C 3.509 E A 0028 VAL C
E A 0027 LYS C 3.444 E A 0028 VAL CB
E A 0027 LYS C 3.394 E A 0028 VAL CG2
E A 0028 VAL C 2.435 C A 0029 LEU CA
E A 0028 VAL C 3.342 C A 0029 LEU C
E A 0028 VAL C 3.625 C A 0029 LEU CB
E A 0028 VAL C 3.685 C A 0029 LEU CG
E A 0028 VAL C 3.586 C A 0029 LEU CD2
E A 0028 VAL CB 3.784 C A 0032 GLU CB
E A 0028 VAL CG1 3.603 C A 0032 GLU CB
E A 0028 VAL CG2 3.430 C A 0032 GLU CG
C A 0029 LEU C 2.422 C A 0030 ARG CA
C A 0029 LEU C 3.601 C A 0030 ARG C
C A 0029 LEU C 3.314 C A 0030 ARG CB
C A 0029 LEU C 3.679 C A 0030 ARG CG
C A 0029 LEU CD1 3.639 C A 0041 ILE CG2
C A 0029 LEU CD1 3.588 E A 0052 GLU CD
C A 0030 ARG C 2.445 C A 0031 GLU CA
C A 0030 ARG C 2.973 C A 0031 GLU C
C A 0030 ARG C 3.018 C A 0031 GLU CB
C A 0030 ARG C 3.767 C A 0031 GLU CG
C A 0030 ARG C 3.367 C A 0031 GLU CD
C A 0030 ARG CB 3.507 C A 0031 GLU CD
C A 0031 GLU C 2.447 C A 0032 GLU CA
C A 0031 GLU C 3.069 C A 0032 GLU C
C A 0031 GLU C 2.950 C A 0032 GLU CB
C A 0031 GLU CB 3.580 C A 0040 PHE CD2
C A 0032 GLU C 2.450 C A 0033 GLY CA
C A 0032 GLU C 3.526 C A 0033 GLY C
C A 0032 GLU CA 3.445 C A 0036 HIS CD2
C A 0032 GLU C 3.728 C A 0036 HIS CB
C A 0032 GLU C 3.723 C A 0036 HIS CD2
C A 0032 GLU CG 3.429 C A 0038 LYS CA
C A 0032 GLU CD 3.304 C A 0038 LYS CA
C A 0032 GLU CD 3.243 C A 0038 LYS CG
C A 0032 GLU CD 3.673 C A 0038 LYS CD
C A 0032 GLU CD 3.385 C A 0038 LYS CE
C A 0033 GLY CA 2.801 C A 0034 PRO CD
C A 0033 GLY C 2.456 C A 0034 PRO CA
C A 0033 GLY C 3.176 C A 0034 PRO C
C A 0033 GLY C 3.619 C A 0034 PRO CB
C A 0033 GLY C 3.660 C A 0034 PRO CG
C A 0033 GLY C 2.464 C A 0034 PRO CD
C A 0034 PRO C 2.433 C A 0035 ALA CA
C A 0034 PRO C 3.050 C A 0035 ALA C
C A 0034 PRO C 3.696 C A 0035 ALA CB
C A 0035 ALA C 2.428 C A 0036 HIS CA
C A 0035 ALA C 3.688 C A 0036 HIS C
C A 0035 ALA C 3.143 C A 0036 HIS CB
C A 0035 ALA C 3.712 C A 0036 HIS CG
C A 0036 HIS C 2.435 C A 0037 MET CA
C A 0036 HIS C 3.541 C A 0037 MET C
C A 0036 HIS C 3.387 C A 0037 MET CB
C A 0037 MET C 2.463 C A 0038 LYS CA
C A 0037 MET C 2.856 C A 0038 LYS C
C A 0037 MET C 3.654 C A 0038 LYS CB
C A 0038 LYS C 2.451 C A 0039 ASN CA
C A 0038 LYS C 3.719 C A 0039 ASN C
C A 0038 LYS C 3.092 C A 0039 ASN CB
C A 0039 ASN C 2.459 C A 0040 PHE CA
C A 0039 ASN C 3.105 C A 0040 PHE C
C A 0039 ASN C 2.970 C A 0040 PHE CB
C A 0039 ASN C 3.177 C A 0040 PHE CG
C A 0039 ASN C 3.408 C A 0040 PHE CD2
C A 0039 ASN CA 3.328 C A 0061 SER CB
C A 0039 ASN CG 3.093 C A 0061 SER CB
C A 0040 PHE C 2.433 C A 0041 ILE CA
C A 0040 PHE C 3.512 C A 0041 ILE C
C A 0040 PHE C 3.451 C A 0041 ILE CB
C A 0040 PHE C 3.352 C A 0041 ILE CG1
C A 0040 PHE C 3.487 C A 0041 ILE CD1
C A 0041 ILE C 2.426 E A 0042 THR CA
C A 0041 ILE C 3.205 E A 0042 THR C
C A 0041 ILE C 3.656 E A 0042 THR CB
C A 0041 ILE CD1 3.604 C A 0054 GLU CG
E A 0042 THR C 2.429 E A 0043 ALA CA
E A 0042 THR C 3.396 E A 0043 ALA C
E A 0042 THR C 3.539 E A 0043 ALA CB
E A 0042 THR CG2 3.739 H A 0062 LYS CA
E A 0043 ALA C 2.426 E A 0044 CYS CA
E A 0043 ALA C 3.517 E A 0044 CYS C
E A 0043 ALA C 3.426 E A 0044 CYS CB
E A 0044 CYS C 2.417 E A 0045 ILE CA
E A 0044 CYS C 3.417 E A 0045 ILE C
E A 0044 CYS C 3.503 E A 0045 ILE CB
E A 0044 CYS C 3.606 H A 0069 MET CE
E A 0045 ILE C 2.427 E A 0046 VAL CA
E A 0045 ILE C 3.580 E A 0046 VAL C
E A 0045 ILE C 3.327 E A 0046 VAL CB
E A 0045 ILE CG1 3.610 E A 0050 VAL CG2
E A 0045 ILE C 3.671 H A 0069 MET CE
E A 0046 VAL C 2.455 C A 0047 GLY CA
E A 0046 VAL C 3.052 C A 0047 GLY C
E A 0046 VAL CB 3.392 H A 0069 MET CE
E A 0046 VAL CG1 3.596 H A 0069 MET CE
E A 0046 VAL CG1 3.730 H A 0073 LEU CD1
E A 0046 VAL CG2 3.399 H A 0073 LEU CD1
C A 0047 GLY C 2.447 C A 0048 SER CA
C A 0047 GLY C 3.715 C A 0048 SER C
C A 0047 GLY C 2.957 C A 0048 SER CB
C A 0048 SER C 2.440 E A 0049 ILE CA
C A 0048 SER C 3.702 E A 0049 ILE C
C A 0048 SER C 3.171 E A 0049 ILE CB
C A 0048 SER C 2.972 E A 0049 ILE CG1
C A 0048 SER CB 3.706 E A 0049 ILE CG1
E A 0049 ILE C 2.440 E A 0050 VAL CA
E A 0049 ILE C 3.521 E A 0050 VAL C
E A 0049 ILE C 3.444 E A 0050 VAL CB
E A 0049 ILE C 3.321 E A 0050 VAL CG2
E A 0050 VAL C 2.428 E A 0051 THR CA
E A 0050 VAL C 3.618 E A 0051 THR C
E A 0050 VAL C 3.314 E A 0051 THR CB
E A 0051 THR C 2.426 E A 0052 GLU CA
E A 0051 THR C 3.181 E A 0052 GLU C
E A 0051 THR C 3.655 E A 0052 GLU CB
E A 0051 THR CG2 3.723 H A 0068 LYS CB
E A 0051 THR CG2 3.247 H A 0068 LYS CG
E A 0052 GLU C 2.429 E A 0053 GLY CA
E A 0052 GLU C 3.637 E A 0053 GLY C
E A 0053 GLY C 2.440 C A 0054 GLU CA
E A 0053 GLY C 3.108 C A 0054 GLU C
E A 0053 GLY C 3.696 C A 0054 GLU CB
C A 0054 GLU C 2.434 C A 0055 GLY CA
C A 0054 GLU C 3.068 C A 0055 GLY C
C A 0055 GLY C 2.425 C A 0056 ASN CA
C A 0055 GLY C 3.461 C A 0056 ASN C
C A 0055 GLY C 3.474 C A 0056 ASN CB
C A 0055 GLY C 3.755 C A 0056 ASN CG
C A 0055 GLY CA 3.654 C A 0060 VAL C
C A 0055 GLY CA 3.496 C A 0060 VAL CB
C A 0055 GLY CA 3.492 C A 0060 VAL CG1
C A 0055 GLY CA 3.532 C A 0061 SER CA
C A 0055 GLY CA 3.305 C A 0061 SER CB
C A 0055 GLY C 3.617 C A 0061 SER CB
C A 0056 ASN C 2.440 C A 0057 GLY CA
C A 0056 ASN C 3.687 C A 0057 GLY C
C A 0057 GLY C 2.451 C A 0058 LYS CA
C A 0057 GLY C 3.015 C A 0058 LYS C
C A 0057 GLY C 3.717 C A 0058 LYS CB
C A 0058 LYS C 2.439 C A 0059 LYS CA
C A 0058 LYS C 3.344 C A 0059 LYS C
C A 0058 LYS C 3.606 C A 0059 LYS CB
C A 0059 LYS C 2.436 C A 0060 VAL CA
C A 0059 LYS C 3.518 C A 0060 VAL C
C A 0059 LYS C 3.450 C A 0060 VAL CB
C A 0059 LYS C 3.312 C A 0060 VAL CG2
C A 0060 VAL C 2.441 C A 0061 SER CA
C A 0060 VAL C 3.113 C A 0061 SER C
C A 0060 VAL C 2.902 C A 0061 SER CB
C A 0060 VAL CG1 3.092 H A 0064 ARG CB
C A 0060 VAL CG1 3.383 H A 0064 ARG CG
C A 0060 VAL CG1 3.571 H A 0064 ARG CD
C A 0061 SER C 2.442 H A 0062 LYS CA
C A 0061 SER C 3.144 H A 0062 LYS C
C A 0061 SER C 2.864 H A 0062 LYS CB
H A 0062 LYS C 2.425 H A 0063 LYS CA
H A 0062 LYS C 3.035 H A 0063 LYS C
H A 0062 LYS C 3.713 H A 0063 LYS CB
H A 0063 LYS C 2.445 H A 0064 ARG CA
H A 0063 LYS C 2.996 H A 0064 ARG C
H A 0063 LYS C 3.706 H A 0064 ARG CB
H A 0064 ARG C 2.439 H A 0065 ALA CA
H A 0064 ARG C 3.019 H A 0065 ALA C
H A 0064 ARG C 3.707 H A 0065 ALA CB
H A 0065 ALA C 2.438 H A 0066 ALA CA
H A 0065 ALA C 2.993 H A 0066 ALA C
H A 0065 ALA C 3.706 H A 0066 ALA CB
H A 0066 ALA C 2.433 H A 0067 GLU CA
H A 0066 ALA C 2.936 H A 0067 GLU C
H A 0066 ALA C 3.706 H A 0067 GLU CB
H A 0067 GLU C 2.428 H A 0068 LYS CA
H A 0067 GLU C 2.934 H A 0068 LYS C
H A 0067 GLU C 3.723 H A 0068 LYS CB
H A 0068 LYS C 2.426 H A 0069 MET CA
H A 0068 LYS C 2.917 H A 0069 MET C
H A 0068 LYS C 3.702 H A 0069 MET CB
H A 0068 LYS CA 3.474 H A 0071 VAL CG1
H A 0068 LYS C 3.653 H A 0071 VAL CG1
H A 0068 LYS CE 3.410 H A 0072 GLU CD
H A 0069 MET C 2.437 H A 0070 LEU CA
H A 0069 MET C 3.077 H A 0070 LEU C
H A 0069 MET C 3.701 H A 0070 LEU CB
H A 0069 MET CG 3.498 H A 0073 LEU CD1
H A 0070 LEU C 2.447 H A 0071 VAL CA
H A 0070 LEU C 2.987 H A 0071 VAL C
H A 0070 LEU C 3.725 H A 0071 VAL CB
H A 0071 VAL C 2.426 H A 0072 GLU CA
H A 0071 VAL C 3.173 H A 0072 GLU C
H A 0071 VAL C 3.664 H A 0072 GLU CB
H A 0072 GLU C 2.448 H A 0073 LEU CA
H A 0072 GLU C 3.000 H A 0073 LEU C
H A 0072 GLU C 3.728 H A 0073 LEU CB
H A 0073 LEU C 2.436 H A 0074 GLN CA
H A 0073 LEU C 3.060 H A 0074 GLN C
H A 0073 LEU C 3.708 H A 0074 GLN CB
H A 0074 GLN C 2.451 C A 0075 LYS CA
H A 0074 GLN C 3.330 C A 0075 LYS C
H A 0074 GLN C 3.621 C A 0075 LYS CB
C A 0075 LYS C 2.442 C A 0076 LEU CA
C A 0075 LYS C 3.476 C A 0076 LEU C
C A 0075 LYS C 3.497 C A 0076 LEU CB
C A 0075 LYS C 3.463 C A 0076 LEU CG
CHARGE_ATTR 2.00 12.00 85
C A 0002 ASP OD1 11.70 C A 0058 LYS NZ
C A 0002 ASP OD2 10.96 C A 0058 LYS NZ
C A 0002 ASP OD1 4.600 C A 0059 LYS NZ
C A 0002 ASP OD2 2.808 C A 0059 LYS NZ
C A 0002 ASP OD1 10.87 H A 0063 LYS NZ
C A 0002 ASP OD2 9.854 H A 0063 LYS NZ
C A 0003 GLU OE1 2.627 C A 0059 LYS NZ
C A 0003 GLU OE2 2.683 C A 0059 LYS NZ
C A 0003 GLU OE1 7.835 H A 0063 LYS NZ
C A 0003 GLU OE2 9.315 H A 0063 LYS NZ
C A 0003 GLU OE1 8.404 H A 0064 ARG NH1
C A 0003 GLU OE1 10.51 H A 0064 ARG NH2
C A 0003 GLU OE2 8.341 H A 0064 ARG NH1
C A 0003 GLU OE2 10.51 H A 0064 ARG NH2
C A 0005 ASP OD1 9.290 C A 0006 LYS NZ
C A 0005 ASP OD2 7.907 C A 0006 LYS NZ
C A 0005 ASP OD1 11.57 C A 0007 LYS NZ
C A 0005 ASP OD2 9.460 C A 0007 LYS NZ
C A 0005 ASP OD1 7.168 C A 0059 LYS NZ
C A 0005 ASP OD2 9.290 C A 0059 LYS NZ
C A 0005 ASP OD1 3.021 H A 0063 LYS NZ
C A 0005 ASP OD2 2.511 H A 0063 LYS NZ
C A 0005 ASP OD1 7.380 H A 0064 ARG NH1
C A 0005 ASP OD1 8.769 H A 0064 ARG NH2
C A 0005 ASP OD2 7.986 H A 0064 ARG NH1
C A 0005 ASP OD2 8.928 H A 0064 ARG NH2
H A 0015 GLU OE1 3.557 C A 0007 LYS NZ
H A 0015 GLU OE2 4.836 C A 0007 LYS NZ
H A 0015 GLU OE1 9.007 H A 0014 HIS ND1
H A 0015 GLU OE1 9.648 H A 0014 HIS NE2
H A 0015 GLU OE2 9.859 H A 0014 HIS ND1
H A 0015 GLU OE2 10.87 H A 0014 HIS NE2
H A 0015 GLU OE2 11.44 H A 0019 LYS NZ
C A 0031 GLU OE1 7.094 C A 0030 ARG NH1
C A 0031 GLU OE1 7.534 C A 0030 ARG NH2
C A 0031 GLU OE2 6.119 C A 0030 ARG NH1
C A 0031 GLU OE2 7.099 C A 0030 ARG NH2
C A 0031 GLU OE1 9.648 C A 0036 HIS ND1
C A 0031 GLU OE1 7.537 C A 0036 HIS NE2
C A 0031 GLU OE2 9.438 C A 0036 HIS ND1
C A 0031 GLU OE2 7.394 C A 0036 HIS NE2
C A 0032 GLU OE1 10.29 E A 0027 LYS NZ
C A 0032 GLU OE1 7.277 C A 0036 HIS ND1
C A 0032 GLU OE1 7.585 C A 0036 HIS NE2
C A 0032 GLU OE2 5.836 C A 0036 HIS ND1
C A 0032 GLU OE2 6.221 C A 0036 HIS NE2
C A 0032 GLU OE1 2.818 C A 0038 LYS NZ
C A 0032 GLU OE2 2.584 C A 0038 LYS NZ
C A 0032 GLU OE2 11.47 C A 0058 LYS NZ
C A 0032 GLU OE1 8.955 H A 0062 LYS NZ
C A 0032 GLU OE2 8.992 H A 0062 LYS NZ
E A 0052 GLU OE1 11.41 C A 0030 ARG NH1
E A 0052 GLU OE1 10.67 C A 0030 ARG NH2
E A 0052 GLU OE2 9.954 C A 0030 ARG NH1
E A 0052 GLU OE2 8.947 C A 0030 ARG NH2
E A 0052 GLU OE1 11.19 H A 0068 LYS NZ
E A 0052 GLU OE2 11.89 H A 0068 LYS NZ
C A 0054 GLU OE1 11.40 C A 0030 ARG NH2
C A 0054 GLU OE2 11.98 C A 0030 ARG NH1
C A 0054 GLU OE2 10.33 C A 0030 ARG NH2
C A 0054 GLU OE1 11.19 H A 0064 ARG NH2
C A 0054 GLU OE1 8.887 H A 0068 LYS NZ
C A 0054 GLU OE2 10.53 H A 0068 LYS NZ
H A 0067 GLU OE1 9.219 C A 0006 LYS NZ
H A 0067 GLU OE2 7.425 C A 0006 LYS NZ
H A 0067 GLU OE2 11.44 C A 0007 LYS NZ
H A 0067 GLU OE1 10.73 C A 0059 LYS NZ
H A 0067 GLU OE1 5.625 H A 0063 LYS NZ
H A 0067 GLU OE2 6.408 H A 0063 LYS NZ
H A 0067 GLU OE1 2.677 H A 0064 ARG NH1
H A 0067 GLU OE1 2.777 H A 0064 ARG NH2
H A 0067 GLU OE2 4.446 H A 0064 ARG NH1
H A 0067 GLU OE2 4.161 H A 0064 ARG NH2
H A 0067 GLU OE1 10.71 H A 0068 LYS NZ
H A 0067 GLU OE2 10.90 H A 0068 LYS NZ
H A 0067 GLU OE1 11.70 C A 0075 LYS NZ
H A 0067 GLU OE2 10.48 C A 0075 LYS NZ
H A 0072 GLU OE1 11.99 H A 0064 ARG NH1
H A 0072 GLU OE1 9.967 H A 0064 ARG NH2
H A 0072 GLU OE2 11.27 H A 0064 ARG NH1
H A 0072 GLU OE2 9.421 H A 0064 ARG NH2
H A 0072 GLU OE1 3.863 H A 0068 LYS NZ
H A 0072 GLU OE2 3.870 H A 0068 LYS NZ
H A 0072 GLU OE1 5.845 C A 0075 LYS NZ
H A 0072 GLU OE2 3.989 C A 0075 LYS NZ
CHARGE_REPU 2.00 12.00 70
C A 0002 ASP OD1 6.033 C A 0003 GLU OE1
C A 0002 ASP OD1 6.940 C A 0003 GLU OE2
C A 0002 ASP OD2 4.828 C A 0003 GLU OE1
C A 0002 ASP OD2 5.424 C A 0003 GLU OE2
C A 0002 ASP OD1 9.033 C A 0005 ASP OD1
C A 0002 ASP OD1 10.85 C A 0005 ASP OD2
C A 0002 ASP OD2 8.223 C A 0005 ASP OD1
C A 0002 ASP OD2 10.18 C A 0005 ASP OD2
C A 0003 GLU OE1 5.471 C A 0005 ASP OD1
C A 0003 GLU OE1 7.594 C A 0005 ASP OD2
C A 0003 GLU OE2 7.256 C A 0005 ASP OD1
C A 0003 GLU OE2 9.351 C A 0005 ASP OD2
C A 0003 GLU OE1 9.126 H A 0067 GLU OE1
C A 0003 GLU OE1 10.39 H A 0067 GLU OE2
C A 0003 GLU OE2 9.659 H A 0067 GLU OE1
C A 0003 GLU OE2 11.12 H A 0067 GLU OE2
C A 0005 ASP OD1 6.353 H A 0067 GLU OE1
C A 0005 ASP OD1 7.034 H A 0067 GLU OE2
C A 0005 ASP OD2 6.261 H A 0067 GLU OE1
C A 0005 ASP OD2 6.417 H A 0067 GLU OE2
C A 0006 LYS NZ 9.701 C A 0007 LYS NZ
C A 0006 LYS NZ 9.813 H A 0063 LYS NZ
C A 0006 LYS NZ 11.25 H A 0064 ARG NH1
C A 0006 LYS NZ 11.53 H A 0064 ARG NH2
C A 0007 LYS NZ 11.79 H A 0014 HIS ND1
C A 0007 LYS NZ 11.91 H A 0014 HIS NE2
C A 0007 LYS NZ 9.887 H A 0063 LYS NZ
H A 0014 HIS ND1 6.166 E A 0025 HIS ND1
H A 0014 HIS ND1 7.811 E A 0025 HIS NE2
H A 0014 HIS NE2 5.835 E A 0025 HIS ND1
H A 0014 HIS NE2 7.862 E A 0025 HIS NE2
H A 0014 HIS ND1 11.12 H A 0062 LYS NZ
H A 0014 HIS NE2 9.208 H A 0062 LYS NZ
H A 0019 LYS NZ 11.34 H A 0020 ARG NH1
H A 0019 LYS NZ 10.75 H A 0020 ARG NH2
H A 0020 ARG NH1 10.91 C A 0075 LYS NZ
H A 0020 ARG NH2 11.88 C A 0075 LYS NZ
E A 0025 HIS ND1 9.202 E A 0027 LYS NZ
E A 0025 HIS NE2 9.477 E A 0027 LYS NZ
C A 0031 GLU OE1 10.34 C A 0032 GLU OE1
C A 0031 GLU OE1 9.906 C A 0032 GLU OE2
C A 0031 GLU OE2 10.55 C A 0032 GLU OE1
C A 0031 GLU OE2 10.31 C A 0032 GLU OE2
C A 0031 GLU OE1 11.47 C A 0054 GLU OE1
C A 0031 GLU OE1 10.77 C A 0054 GLU OE2
C A 0036 HIS ND1 6.899 C A 0038 LYS NZ
C A 0036 HIS NE2 7.945 C A 0038 LYS NZ
C A 0038 LYS NZ 11.72 C A 0058 LYS NZ
C A 0038 LYS NZ 8.407 H A 0062 LYS NZ
E A 0052 GLU OE1 7.684 C A 0054 GLU OE1
E A 0052 GLU OE1 8.810 C A 0054 GLU OE2
E A 0052 GLU OE2 7.237 C A 0054 GLU OE1
E A 0052 GLU OE2 7.865 C A 0054 GLU OE2
E A 0052 GLU OE1 11.02 H A 0072 GLU OE1
C A 0054 GLU OE1 11.35 H A 0072 GLU OE1
C A 0058 LYS NZ 11.32 H A 0062 LYS NZ
C A 0059 LYS NZ 8.992 H A 0063 LYS NZ
C A 0059 LYS NZ 9.772 H A 0064 ARG NH1
C A 0059 LYS NZ 11.78 H A 0064 ARG NH2
H A 0062 LYS NZ 10.87 H A 0063 LYS NZ
H A 0063 LYS NZ 7.221 H A 0064 ARG NH1
H A 0063 LYS NZ 7.928 H A 0064 ARG NH2
H A 0064 ARG NH1 9.980 H A 0068 LYS NZ
H A 0064 ARG NH2 8.291 H A 0068 LYS NZ
H A 0064 ARG NH2 10.78 C A 0075 LYS NZ
H A 0067 GLU OE1 11.88 H A 0072 GLU OE1
H A 0067 GLU OE1 11.16 H A 0072 GLU OE2
H A 0067 GLU OE2 11.55 H A 0072 GLU OE1
H A 0067 GLU OE2 10.61 H A 0072 GLU OE2
H A 0068 LYS NZ 7.462 C A 0075 LYS NZ
HB_MM 2.00 3.20 130
C A 0002 ASP N 2.210 C A 0001 MET O
C A 0003 GLU N 2.216 C A 0002 ASP O
C A 0004 GLY N 2.215 C A 0003 GLU O
C A 0005 ASP N 2.209 C A 0004 GLY O
C A 0006 LYS N 2.212 C A 0005 ASP O
C A 0007 LYS N 2.215 C A 0006 LYS O
H A 0008 SER N 2.209 C A 0007 LYS O
H A 0009 PRO N 2.244 H A 0008 SER O
H A 0010 ILE N 2.217 H A 0009 PRO O
H A 0011 SER N 3.070 H A 0009 PRO O
H A 0011 SER N 2.215 H A 0010 ILE O
H A 0012 GLN N 2.991 H A 0009 PRO O
H A 0012 GLN N 2.210 H A 0011 SER O
H A 0013 VAL N 2.664 H A 0009 PRO O
H A 0013 VAL N 3.140 H A 0010 ILE O
H A 0013 VAL N 3.190 H A 0011 SER O
H A 0013 VAL N 2.205 H A 0012 GLN O
H A 0014 HIS N 2.893 H A 0010 ILE O
H A 0014 HIS N 3.033 H A 0011 SER O
H A 0014 HIS N 2.213 H A 0013 VAL O
H A 0015 GLU N 2.725 H A 0011 SER O
H A 0015 GLU N 2.220 H A 0014 HIS O
H A 0016 ILE N 2.703 H A 0012 GLN O
H A 0016 ILE N 2.214 H A 0015 GLU O
H A 0017 GLY N 2.639 H A 0013 VAL O
H A 0017 GLY N 3.170 H A 0014 HIS O
H A 0017 GLY N 2.215 H A 0016 ILE O
H A 0018 ILE N 2.753 H A 0014 HIS O
H A 0018 ILE N 2.216 H A 0017 GLY O
H A 0019 LYS N 2.767 H A 0015 GLU O
H A 0019 LYS N 2.215 H A 0018 ILE O
H A 0020 ARG N 2.728 H A 0016 ILE O
H A 0020 ARG N 3.064 H A 0018 ILE O
H A 0020 ARG N 2.213 H A 0019 LYS O
C A 0021 ASN N 2.925 H A 0017 GLY O
C A 0021 ASN N 2.225 H A 0020 ARG O
C A 0022 MET N 2.589 H A 0017 GLY O
C A 0022 MET N 2.208 C A 0021 ASN O
C A 0023 THR N 2.213 C A 0022 MET O
C A 0024 VAL N 2.993 C A 0022 MET O
C A 0024 VAL N 2.207 C A 0023 THR O
E A 0025 HIS N 2.214 C A 0024 VAL O
E A 0025 HIS N 3.049 E A 0045 ILE O
E A 0026 PHE N 2.212 E A 0025 HIS O
E A 0027 LYS N 2.211 E A 0026 PHE O
E A 0027 LYS N 2.769 E A 0043 ALA O
E A 0028 VAL N 2.209 E A 0027 LYS O
C A 0029 LEU N 2.211 E A 0028 VAL O
C A 0030 ARG N 2.207 C A 0029 LEU O
C A 0031 GLU N 2.225 C A 0030 ARG O
C A 0032 GLU N 2.215 C A 0031 GLU O
C A 0033 GLY N 2.217 C A 0032 GLU O
C A 0034 PRO N 2.250 C A 0033 GLY O
C A 0035 ALA N 2.211 C A 0034 PRO O
C A 0036 HIS N 2.621 C A 0034 PRO O
C A 0036 HIS N 2.213 C A 0035 ALA O
C A 0037 MET N 2.209 C A 0036 HIS O
C A 0038 LYS N 2.220 C A 0037 MET O
C A 0039 ASN N 2.621 C A 0037 MET O
C A 0039 ASN N 2.222 C A 0038 LYS O
C A 0040 PHE N 2.222 C A 0039 ASN O
C A 0040 PHE N 2.610 C A 0055 GLY O
C A 0041 ILE N 2.779 C A 0039 ASN O
C A 0041 ILE N 2.207 C A 0040 PHE O
E A 0042 THR N 2.211 C A 0041 ILE O
E A 0042 THR N 2.985 E A 0053 GLY O
E A 0043 ALA N 2.654 E A 0027 LYS O
E A 0043 ALA N 2.211 E A 0042 THR O
E A 0044 CYS N 2.210 E A 0043 ALA O
E A 0044 CYS N 2.691 E A 0051 THR O
E A 0045 ILE N 2.730 E A 0025 HIS O
E A 0045 ILE N 2.203 E A 0044 CYS O
E A 0046 VAL N 2.211 E A 0045 ILE O
E A 0046 VAL N 2.875 E A 0049 ILE O
C A 0047 GLY N 2.220 E A 0046 VAL O
C A 0048 SER N 2.422 E A 0046 VAL O
C A 0048 SER N 2.211 C A 0047 GLY O
E A 0049 ILE N 3.127 E A 0046 VAL O
E A 0049 ILE N 2.214 C A 0048 SER O
E A 0050 VAL N 2.213 E A 0049 ILE O
E A 0051 THR N 2.639 E A 0044 CYS O
E A 0051 THR N 2.207 E A 0050 VAL O
E A 0052 GLU N 2.210 E A 0051 THR O
E A 0053 GLY N 2.909 E A 0042 THR O
E A 0053 GLY N 2.214 E A 0052 GLU O
C A 0054 GLU N 2.218 E A 0053 GLY O
C A 0055 GLY N 3.051 C A 0040 PHE O
C A 0055 GLY N 2.629 E A 0053 GLY O
C A 0055 GLY N 2.210 C A 0054 GLU O
C A 0056 ASN N 2.202 C A 0055 GLY O
C A 0057 GLY N 2.213 C A 0056 ASN O
C A 0058 LYS N 2.212 C A 0057 GLY O
C A 0059 LYS N 2.806 C A 0057 GLY O
C A 0059 LYS N 2.208 C A 0058 LYS O
C A 0060 VAL N 2.849 C A 0057 GLY O
C A 0060 VAL N 2.209 C A 0059 LYS O
C A 0061 SER N 2.211 C A 0060 VAL O
H A 0062 LYS N 2.211 C A 0061 SER O
H A 0063 LYS N 2.849 C A 0061 SER O
H A 0063 LYS N 2.214 H A 0062 LYS O
H A 0064 ARG N 2.213 H A 0063 LYS O
H A 0065 ALA N 2.219 H A 0064 ARG O
H A 0066 ALA N 2.879 H A 0062 LYS O
H A 0066 ALA N 2.217 H A 0065 ALA O
H A 0067 GLU N 2.692 H A 0063 LYS O
H A 0067 GLU N 2.217 H A 0066 ALA O
H A 0068 LYS N 3.032 H A 0064 ARG O
H A 0068 LYS N 3.192 H A 0065 ALA O
H A 0068 LYS N 2.214 H A 0067 GLU O
H A 0069 MET N 3.123 H A 0065 ALA O
H A 0069 MET N 2.999 H A 0066 ALA O
H A 0069 MET N 2.213 H A 0068 LYS O
H A 0070 LEU N 2.772 H A 0066 ALA O
H A 0070 LEU N 2.886 H A 0067 GLU O
H A 0070 LEU N 3.122 H A 0068 LYS O
H A 0070 LEU N 2.211 H A 0069 MET O
H A 0071 VAL N 2.690 H A 0067 GLU O
H A 0071 VAL N 2.216 H A 0070 LEU O
H A 0072 GLU N 2.765 H A 0068 LYS O
H A 0072 GLU N 3.058 H A 0070 LEU O
H A 0072 GLU N 2.212 H A 0071 VAL O
H A 0073 LEU N 2.685 H A 0069 MET O
H A 0073 LEU N 2.218 H A 0072 GLU O
H A 0074 GLN N 2.679 H A 0070 LEU O
H A 0074 GLN N 3.092 H A 0072 GLU O
H A 0074 GLN N 2.206 H A 0073 LEU O
C A 0075 LYS N 2.781 H A 0072 GLU O
C A 0075 LYS N 3.034 H A 0073 LEU O
C A 0075 LYS N 2.219 H A 0074 GLN O
C A 0076 LEU N 2.220 C A 0075 LYS O
HB_MS 2.00 3.20 19
C A 0001 MET N 3.134 C A 0002 ASP OD1
C A 0006 LYS N 2.656 C A 0005 ASP OD2
C A 0007 LYS O 3.003 H A 0063 LYS NZ
H A 0012 GLN N 3.115 H A 0015 GLU OE1
H A 0020 ARG O 3.189 C A 0021 ASN ND2
C A 0024 VAL O 2.560 E A 0025 HIS ND1
C A 0033 GLY N 2.898 C A 0032 GLU OE1
C A 0033 GLY O 2.539 C A 0038 LYS NZ
C A 0035 ALA O 2.502 C A 0036 HIS ND1
C A 0038 LYS N 2.814 C A 0032 GLU OE2
C A 0038 LYS O 3.063 C A 0039 ASN ND2
C A 0054 GLU O 2.979 C A 0056 ASN ND2
C A 0055 GLY O 3.101 C A 0061 SER OG
C A 0057 GLY N 2.657 C A 0039 ASN OD1
C A 0057 GLY O 3.082 C A 0039 ASN ND2
C A 0060 VAL O 2.576 C A 0039 ASN ND2
H A 0070 LEU O 2.810 H A 0074 GLN NE2
H A 0071 VAL O 2.963 C A 0075 LYS NZ
C A 0076 LEU O 2.543 H A 0020 ARG NH1
HB_SS 2.00 3.20 1
C A 0007 LYS NZ 2.699 H A 0012 GLN OE1
AROMATIC 0.00 8.00 1
C A 0038 LYS 6.808 C A 0036 HIS