Complet list of 1whf con file
Complete list of 1whf.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 337
C A 0001 ALA C 2.423 C A 0002 ASN CA
C A 0001 ALA C 3.383 C A 0002 ASN C
C A 0001 ALA C 3.542 C A 0002 ASN CB
C A 0002 ASN C 2.421 C A 0003 SER CA
C A 0002 ASN C 3.687 C A 0003 SER C
C A 0002 ASN C 3.056 C A 0003 SER CB
C A 0003 SER C 2.426 C A 0004 PHE CA
C A 0003 SER C 2.926 C A 0004 PHE C
C A 0003 SER C 3.699 C A 0004 PHE CB
C A 0004 PHE C 2.420 C A 0005 LEU CA
C A 0004 PHE C 3.106 C A 0005 LEU C
C A 0004 PHE C 3.673 C A 0005 LEU CB
C A 0004 PHE CE2 3.110 C A 0005 LEU CD1
C A 0004 PHE CZ 3.254 C A 0005 LEU CD1
C A 0005 LEU CA 3.541 C A 0008 VAL CG1
C A 0005 LEU C 3.766 C A 0008 VAL CG1
C A 0008 VAL CA 3.777 C A 0009 LYS CA
C A 0008 VAL C 2.405 C A 0009 LYS CA
C A 0008 VAL C 2.805 C A 0009 LYS C
C A 0008 VAL C 3.659 C A 0009 LYS CB
C A 0009 LYS C 2.435 C A 0010 GLN CA
C A 0009 LYS C 3.688 C A 0010 GLN C
C A 0009 LYS C 2.890 C A 0010 GLN CB
C A 0010 GLN C 2.423 C A 0011 GLY CA
C A 0010 GLN C 3.393 C A 0011 GLY C
C A 0011 GLY C 2.428 C A 0012 ASN CA
C A 0011 GLY C 3.389 C A 0012 ASN C
C A 0011 GLY C 3.536 C A 0012 ASN CB
C A 0011 GLY C 3.628 H A 0030 VAL CG1
C A 0012 ASN C 2.411 H A 0013 LEU CA
C A 0012 ASN C 3.100 H A 0013 LEU C
C A 0012 ASN C 3.674 H A 0013 LEU CB
C A 0012 ASN C 3.451 H A 0013 LEU CD2
H A 0013 LEU CD2 3.704 C A 0031 PHE CB
H A 0013 LEU CD2 3.543 C A 0031 PHE CG
H A 0013 LEU CD2 3.657 C A 0031 PHE CD2
H A 0013 LEU C 3.570 H A 0040 PHE CZ
H A 0017 CYS C 2.421 H A 0018 LEU CA
H A 0017 CYS C 3.153 H A 0018 LEU C
H A 0017 CYS C 3.652 H A 0018 LEU CB
H A 0017 CYS CA 3.531 H A 0021 ALA CB
H A 0017 CYS CB 3.773 H A 0022 CYS CA
H A 0017 CYS CB 3.132 H A 0022 CYS CB
H A 0018 LEU CD2 3.541 C A 0047 GLY C
H A 0018 LEU CG 3.646 C A 0048 ASP CB
H A 0018 LEU CD1 3.025 C A 0048 ASP CB
H A 0018 LEU CD1 2.856 C A 0048 ASP CG
H A 0021 ALA CA 3.787 H A 0022 CYS CA
H A 0021 ALA C 2.415 H A 0022 CYS CA
H A 0021 ALA C 3.624 H A 0022 CYS C
H A 0021 ALA C 3.229 H A 0022 CYS CB
H A 0022 CYS C 2.420 H A 0023 SER CA
H A 0022 CYS C 3.675 H A 0023 SER C
H A 0022 CYS C 3.001 H A 0023 SER CB
H A 0023 SER C 2.422 H A 0024 LEU CA
H A 0023 SER C 3.671 H A 0024 LEU C
H A 0023 SER C 3.093 H A 0024 LEU CB
H A 0023 SER C 3.668 H A 0041 TRP CH2
H A 0024 LEU CD1 3.579 H A 0028 ARG CD
H A 0024 LEU CD2 3.618 H A 0041 TRP CD1
H A 0024 LEU CD2 3.548 H A 0041 TRP CD2
H A 0024 LEU CD2 2.834 H A 0041 TRP CE2
H A 0024 LEU CD2 3.081 H A 0041 TRP CZ2
H A 0027 ALA C 2.420 H A 0028 ARG CA
H A 0027 ALA C 3.596 H A 0028 ARG C
H A 0027 ALA C 3.219 H A 0028 ARG CB
H A 0027 ALA CA 3.391 C A 0031 PHE CE1
H A 0027 ALA C 3.184 C A 0031 PHE CE1
H A 0027 ALA C 3.488 C A 0031 PHE CZ
H A 0027 ALA CB 3.761 C A 0031 PHE CE1
H A 0027 ALA CB 3.691 C A 0031 PHE CZ
H A 0030 VAL CA 3.708 C A 0031 PHE CD1
H A 0030 VAL C 2.416 C A 0031 PHE CA
H A 0030 VAL C 3.478 C A 0031 PHE C
H A 0030 VAL C 3.494 C A 0031 PHE CB
H A 0030 VAL C 3.792 C A 0031 PHE CG
H A 0030 VAL C 3.254 C A 0031 PHE CD1
H A 0030 VAL CB 3.493 C A 0031 PHE CD1
H A 0030 VAL CG1 3.638 C A 0031 PHE CD1
C A 0031 PHE C 3.757 C A 0033 ASP CG
C A 0031 PHE CB 3.788 C A 0033 ASP CG
C A 0031 PHE CG 3.341 C A 0033 ASP CG
C A 0031 PHE CD2 3.148 C A 0033 ASP CB
C A 0031 PHE CD2 2.975 C A 0033 ASP CG
C A 0031 PHE CE2 3.458 C A 0033 ASP CG
C A 0033 ASP C 2.425 H A 0034 ALA CA
C A 0033 ASP C 3.140 H A 0034 ALA C
C A 0033 ASP C 3.665 H A 0034 ALA CB
C A 0033 ASP CB 3.208 H A 0036 GLN CB
H A 0034 ALA C 3.635 H A 0037 THR CG2
H A 0036 GLN C 2.403 H A 0037 THR CA
H A 0036 GLN C 2.722 H A 0037 THR C
H A 0036 GLN C 3.684 H A 0037 THR CB
H A 0036 GLN CA 3.618 H A 0040 PHE CB
H A 0036 GLN C 3.160 H A 0040 PHE CB
H A 0036 GLN CB 3.608 H A 0040 PHE CB
H A 0036 GLN CG 3.586 H A 0040 PHE CD1
H A 0036 GLN CD 3.296 H A 0040 PHE CD1
H A 0037 THR CA 3.789 H A 0038 ASP CA
H A 0037 THR C 2.402 H A 0038 ASP CA
H A 0037 THR C 3.151 H A 0038 ASP C
H A 0037 THR C 3.597 H A 0038 ASP CB
H A 0037 THR C 3.503 H A 0041 TRP CD1
H A 0040 PHE C 2.421 H A 0041 TRP CA
H A 0040 PHE C 3.114 H A 0041 TRP C
H A 0040 PHE C 3.655 H A 0041 TRP CB
H A 0040 PHE CD2 3.771 H A 0041 TRP CD2
H A 0040 PHE CD2 3.405 H A 0041 TRP CE3
H A 0040 PHE CD2 3.772 H A 0041 TRP CZ2
H A 0040 PHE CD2 3.218 H A 0041 TRP CZ3
H A 0040 PHE CD2 3.419 H A 0041 TRP CH2
H A 0040 PHE CE2 3.372 H A 0041 TRP CZ3
H A 0040 PHE CE2 3.448 H A 0041 TRP CH2
H A 0040 PHE CA 3.451 C A 0065 ILE CG1
H A 0041 TRP C 2.430 C A 0042 SER CA
H A 0041 TRP C 2.839 C A 0042 SER C
H A 0041 TRP C 3.119 C A 0042 SER CB
H A 0041 TRP CZ3 3.782 C A 0044 TYR CD2
C A 0042 SER C 2.484 C A 0043 LYS CA
C A 0042 SER C 3.452 C A 0043 LYS C
C A 0042 SER C 2.853 C A 0043 LYS CB
C A 0042 SER C 3.252 C A 0043 LYS CG
C A 0043 LYS CA 3.800 C A 0044 TYR CA
C A 0043 LYS C 2.415 C A 0044 TYR CA
C A 0043 LYS C 3.102 C A 0044 TYR C
C A 0043 LYS C 3.628 C A 0044 TYR CB
C A 0043 LYS CG 3.685 C A 0065 ILE CB
C A 0043 LYS CD 3.488 C A 0065 ILE CD1
C A 0044 TYR C 2.469 C A 0045 LYS CA
C A 0044 TYR C 2.790 C A 0045 LYS C
C A 0044 TYR C 3.429 C A 0045 LYS CB
C A 0044 TYR C 3.242 C A 0045 LYS CG
C A 0044 TYR CE1 3.416 C A 0048 ASP CA
C A 0044 TYR CA 3.231 C A 0065 ILE CG2
C A 0044 TYR CB 3.671 C A 0065 ILE CG2
C A 0044 TYR CD1 3.798 C A 0065 ILE CG2
C A 0045 LYS C 2.434 C A 0046 ASP CA
C A 0045 LYS C 3.607 C A 0046 ASP C
C A 0045 LYS C 3.307 C A 0046 ASP CB
C A 0046 ASP C 2.413 C A 0047 GLY CA
C A 0046 ASP C 3.055 C A 0047 GLY C
C A 0047 GLY C 2.455 C A 0048 ASP CA
C A 0047 GLY C 3.219 C A 0048 ASP C
C A 0047 GLY C 2.855 C A 0048 ASP CB
C A 0047 GLY C 3.543 C A 0048 ASP CG
C A 0047 GLY CA 3.646 C A 0051 GLU CB
C A 0047 GLY C 3.634 C A 0051 GLU CB
C A 0048 ASP C 2.430 C A 0049 GLN CA
C A 0048 ASP C 3.126 C A 0049 GLN C
C A 0048 ASP C 2.848 C A 0049 GLN CB
C A 0048 ASP CG 3.636 C A 0050 CYS CB
C A 0049 GLN C 2.403 C A 0050 CYS CA
C A 0049 GLN C 3.206 C A 0050 CYS C
C A 0049 GLN C 3.612 C A 0050 CYS CB
C A 0049 GLN CD 3.481 C A 0065 ILE CA
C A 0049 GLN CD 3.634 C A 0065 ILE C
C A 0049 GLN CG 3.718 C A 0067 ASP CA
C A 0049 GLN CD 3.123 C A 0067 ASP CA
C A 0049 GLN CD 3.381 C A 0067 ASP C
C A 0049 GLN CB 3.570 E A 0068 TYR CB
C A 0049 GLN CB 3.592 E A 0068 TYR CG
C A 0049 GLN CB 3.066 E A 0068 TYR CD1
C A 0049 GLN CG 3.267 E A 0068 TYR CD1
C A 0049 GLN CG 3.794 E A 0068 TYR CE1
C A 0050 CYS C 2.417 C A 0051 GLU CA
C A 0050 CYS C 2.902 C A 0051 GLU C
C A 0050 CYS C 3.691 C A 0051 GLU CB
C A 0050 CYS CA 3.576 C A 0054 PRO CG
C A 0050 CYS CA 3.786 C A 0054 PRO CD
C A 0050 CYS C 3.795 C A 0054 PRO CG
C A 0050 CYS C 3.460 C A 0054 PRO CD
C A 0051 GLU C 2.421 C A 0052 GLY CA
C A 0051 GLU C 3.323 C A 0052 GLY C
C A 0052 GLY C 2.423 C A 0053 HIS CA
C A 0052 GLY C 3.023 C A 0053 HIS C
C A 0052 GLY C 2.910 C A 0053 HIS CB
C A 0052 GLY C 3.752 C A 0054 PRO CD
C A 0053 HIS CA 2.781 C A 0054 PRO CD
C A 0053 HIS C 2.441 C A 0054 PRO CA
C A 0053 HIS C 3.007 C A 0054 PRO C
C A 0053 HIS C 3.647 C A 0054 PRO CB
C A 0053 HIS C 3.652 C A 0054 PRO CG
C A 0053 HIS C 2.447 C A 0054 PRO CD
C A 0053 HIS CD2 3.545 C A 0056 LEU CD2
C A 0054 PRO C 2.425 C A 0055 CYS CA
C A 0054 PRO C 3.126 C A 0055 CYS C
C A 0054 PRO C 3.676 C A 0055 CYS CB
C A 0054 PRO CB 3.115 E A 0068 TYR CE2
C A 0054 PRO CG 3.729 E A 0068 TYR CD2
C A 0054 PRO CG 3.461 E A 0068 TYR CE2
C A 0055 CYS C 2.427 C A 0056 LEU CA
C A 0055 CYS C 3.631 C A 0056 LEU C
C A 0055 CYS C 3.281 C A 0056 LEU CB
C A 0055 CYS C 3.577 C A 0056 LEU CG
C A 0055 CYS CB 3.566 E A 0070 CYS CB
C A 0055 CYS C 3.797 C A 0080 ASN CB
C A 0056 LEU CA 3.799 C A 0057 ASN CA
C A 0056 LEU C 2.426 C A 0057 ASN CA
C A 0056 LEU C 2.829 C A 0057 ASN C
C A 0056 LEU C 3.157 C A 0057 ASN CB
C A 0056 LEU CB 3.771 C A 0080 ASN CB
C A 0057 ASN CA 3.794 C A 0058 GLN CA
C A 0057 ASN C 2.414 C A 0058 GLN CA
C A 0057 ASN C 2.897 C A 0058 GLN C
C A 0057 ASN C 3.006 C A 0058 GLN CB
C A 0057 ASN C 3.084 C A 0058 GLN CG
C A 0057 ASN C 3.597 E A 0076 PHE CD2
C A 0057 ASN C 3.357 E A 0076 PHE CE2
C A 0057 ASN CB 3.247 E A 0076 PHE CD2
C A 0057 ASN CB 3.638 E A 0076 PHE CE2
C A 0057 ASN CB 3.605 C A 0081 CYS C
C A 0057 ASN CB 3.768 C A 0081 CYS CB
C A 0057 ASN CG 3.570 C A 0081 CYS C
C A 0057 ASN CG 3.773 C A 0082 GLU CA
C A 0057 ASN CG 3.464 C A 0082 GLU C
C A 0057 ASN CG 3.539 E A 0084 SER CB
C A 0058 GLN C 2.411 E A 0059 GLY CA
C A 0058 GLN C 3.154 E A 0059 GLY C
C A 0058 GLN CB 3.727 E A 0076 PHE CE2
C A 0058 GLN CG 3.640 E A 0076 PHE CE2
E A 0059 GLY C 2.419 E A 0060 HIS CA
E A 0059 GLY C 3.099 E A 0060 HIS C
E A 0059 GLY C 3.673 E A 0060 HIS CB
E A 0060 HIS C 2.410 E A 0061 CYS CA
E A 0060 HIS C 3.688 E A 0061 CYS C
E A 0060 HIS C 3.102 E A 0061 CYS CB
E A 0060 HIS CB 3.589 E A 0071 THR CB
E A 0061 CYS C 2.435 E A 0062 LYS CA
E A 0061 CYS C 3.360 E A 0062 LYS C
E A 0061 CYS C 3.565 E A 0062 LYS CB
C A 0064 GLY C 2.471 C A 0065 ILE CA
C A 0064 GLY C 2.843 C A 0065 ILE C
C A 0064 GLY C 3.304 C A 0065 ILE CB
C A 0064 GLY C 3.046 C A 0065 ILE CG1
C A 0064 GLY C 3.394 C A 0065 ILE CD1
C A 0065 ILE C 2.413 C A 0066 GLY CA
C A 0065 ILE C 2.777 C A 0066 GLY C
C A 0066 GLY C 2.478 C A 0067 ASP CA
C A 0066 GLY C 3.218 C A 0067 ASP C
C A 0066 GLY C 2.967 C A 0067 ASP CB
C A 0066 GLY C 3.266 C A 0067 ASP CG
C A 0067 ASP CA 3.784 E A 0068 TYR CD1
C A 0067 ASP C 2.399 E A 0068 TYR CA
C A 0067 ASP C 3.536 E A 0068 TYR C
C A 0067 ASP C 3.310 E A 0068 TYR CB
C A 0067 ASP C 3.722 E A 0068 TYR CG
C A 0067 ASP C 3.318 E A 0068 TYR CD1
E A 0068 TYR CA 3.791 E A 0069 THR CA
E A 0068 TYR C 2.406 E A 0069 THR CA
E A 0068 TYR C 3.571 E A 0069 THR C
E A 0068 TYR C 3.223 E A 0069 THR CB
E A 0068 TYR C 3.594 E A 0069 THR CG2
E A 0069 THR CA 3.787 E A 0070 CYS CA
E A 0069 THR C 2.382 E A 0070 CYS CA
E A 0069 THR C 3.493 E A 0070 CYS C
E A 0069 THR C 3.350 E A 0070 CYS CB
E A 0070 CYS C 2.415 E A 0071 THR CA
E A 0070 CYS C 3.664 E A 0071 THR C
E A 0070 CYS C 3.118 E A 0071 THR CB
E A 0071 THR C 2.423 E A 0072 CYS CA
E A 0071 THR C 3.284 E A 0072 CYS C
E A 0071 THR C 3.605 E A 0072 CYS CB
E A 0072 CYS C 2.427 C A 0073 ALA CA
E A 0072 CYS C 3.079 C A 0073 ALA C
E A 0072 CYS C 3.687 C A 0073 ALA CB
E A 0072 CYS CB 3.511 E A 0076 PHE CB
E A 0072 CYS CB 3.606 C A 0081 CYS CB
C A 0073 ALA CA 3.786 C A 0074 GLU CA
C A 0073 ALA C 2.405 C A 0074 GLU CA
C A 0073 ALA C 3.098 C A 0074 GLU C
C A 0073 ALA C 3.620 C A 0074 GLU CB
C A 0073 ALA CA 3.524 E A 0076 PHE CD1
C A 0073 ALA C 3.248 E A 0076 PHE CD1
C A 0073 ALA CB 3.733 E A 0076 PHE CG
C A 0073 ALA CB 3.123 E A 0076 PHE CD1
C A 0073 ALA CB 2.952 E A 0076 PHE CE1
C A 0073 ALA CB 3.436 E A 0076 PHE CZ
C A 0074 GLU CA 3.758 C A 0075 GLY CA
C A 0074 GLU C 2.415 C A 0075 GLY CA
C A 0074 GLU C 3.450 C A 0075 GLY C
C A 0074 GLU C 3.671 E A 0076 PHE CD1
C A 0075 GLY CA 3.787 E A 0076 PHE CA
C A 0075 GLY CA 3.605 E A 0076 PHE CD1
C A 0075 GLY C 2.402 E A 0076 PHE CA
C A 0075 GLY C 3.426 E A 0076 PHE C
C A 0075 GLY C 3.426 E A 0076 PHE CB
C A 0075 GLY C 3.452 E A 0076 PHE CG
C A 0075 GLY C 2.929 E A 0076 PHE CD1
C A 0075 GLY C 3.552 C A 0085 THR CB
C A 0075 GLY C 3.640 C A 0085 THR CG2
C A 0075 GLY CA 3.348 C A 0086 ARG CD
E A 0076 PHE C 2.423 E A 0077 GLU CA
E A 0076 PHE C 3.681 E A 0077 GLU C
E A 0076 PHE C 3.138 E A 0077 GLU CB
E A 0076 PHE C 3.537 E A 0077 GLU CG
E A 0076 PHE C 3.655 C A 0085 THR CG2
E A 0077 GLU C 2.425 C A 0078 GLY CA
E A 0077 GLU C 3.244 C A 0078 GLY C
E A 0077 GLU C 3.504 C A 0081 CYS CA
E A 0077 GLU C 3.698 C A 0081 CYS C
E A 0077 GLU C 3.722 E A 0083 PHE CD2
E A 0077 GLU CB 3.525 E A 0083 PHE CB
E A 0077 GLU CB 3.717 C A 0085 THR CG2
E A 0077 GLU CG 3.553 C A 0085 THR CG2
C A 0078 GLY C 2.418 C A 0079 LYS CA
C A 0078 GLY C 2.909 C A 0079 LYS C
C A 0078 GLY C 3.686 C A 0079 LYS CB
C A 0078 GLY CA 3.439 E A 0083 PHE CD2
C A 0078 GLY CA 3.367 E A 0083 PHE CE2
C A 0079 LYS CA 3.790 C A 0080 ASN CA
C A 0079 LYS C 2.414 C A 0080 ASN CA
C A 0079 LYS C 3.247 C A 0080 ASN C
C A 0079 LYS C 3.607 C A 0080 ASN CB
C A 0079 LYS C 3.665 C A 0080 ASN CG
C A 0080 ASN C 2.412 C A 0081 CYS CA
C A 0080 ASN C 2.944 C A 0081 CYS C
C A 0080 ASN C 2.932 C A 0081 CYS CB
C A 0081 CYS C 2.437 C A 0082 GLU CA
C A 0081 CYS C 2.906 C A 0082 GLU C
C A 0081 CYS C 3.670 C A 0082 GLU CB
C A 0082 GLU C 2.422 E A 0083 PHE CA
C A 0082 GLU C 3.167 E A 0083 PHE C
C A 0082 GLU C 3.673 E A 0083 PHE CB
C A 0082 GLU C 3.408 E A 0083 PHE CD1
C A 0082 GLU CB 3.577 E A 0083 PHE CD1
C A 0082 GLU CB 3.669 E A 0083 PHE CE1
E A 0083 PHE C 2.412 E A 0084 SER CA
E A 0083 PHE C 2.984 E A 0084 SER C
E A 0083 PHE C 3.686 E A 0084 SER CB
E A 0084 SER C 2.427 C A 0085 THR CA
E A 0084 SER C 2.888 C A 0085 THR C
E A 0084 SER C 3.693 C A 0085 THR CB
C A 0085 THR CA 3.791 C A 0086 ARG CA
C A 0085 THR C 2.411 C A 0086 ARG CA
C A 0085 THR C 3.564 C A 0086 ARG C
C A 0085 THR C 3.322 C A 0086 ARG CB
C A 0085 THR C 3.128 C A 0086 ARG CG
CHARGE_ATTR 2.00 12.00 35
C A 0033 ASP OD1 11.08 H A 0028 ARG NH1
C A 0033 ASP OD2 10.74 H A 0028 ARG NH1
C A 0033 ASP OD2 11.80 H A 0028 ARG NH2
H A 0038 ASP OD1 7.015 C A 0043 LYS NZ
H A 0038 ASP OD2 5.811 C A 0043 LYS NZ
H A 0038 ASP OD1 11.10 C A 0045 LYS NZ
C A 0046 ASP OD2 10.45 C A 0043 LYS NZ
C A 0046 ASP OD1 10.82 C A 0045 LYS NZ
C A 0046 ASP OD2 11.15 C A 0045 LYS NZ
C A 0046 ASP OD2 11.63 C A 0079 LYS NZ
C A 0048 ASP OD1 8.987 H A 0015 ARG NH1
C A 0048 ASP OD1 10.12 H A 0015 ARG NH2
C A 0048 ASP OD2 7.595 H A 0015 ARG NH1
C A 0048 ASP OD2 8.590 H A 0015 ARG NH2
C A 0048 ASP OD1 9.747 C A 0053 HIS ND1
C A 0048 ASP OD1 11.92 C A 0053 HIS NE2
C A 0048 ASP OD2 10.68 C A 0053 HIS ND1
C A 0051 GLU OE1 10.89 C A 0053 HIS ND1
C A 0051 GLU OE2 9.825 C A 0053 HIS ND1
C A 0051 GLU OE2 11.53 C A 0053 HIS NE2
C A 0067 ASP OD1 10.23 C A 0043 LYS NZ
C A 0067 ASP OD2 8.941 C A 0043 LYS NZ
C A 0067 ASP OD1 11.78 E A 0062 LYS NZ
C A 0067 ASP OD1 6.881 C A 0079 LYS NZ
C A 0067 ASP OD2 8.217 C A 0079 LYS NZ
C A 0074 GLU OE1 11.78 E A 0060 HIS NE2
C A 0074 GLU OE1 5.857 C A 0086 ARG NH1
C A 0074 GLU OE1 7.584 C A 0086 ARG NH2
C A 0074 GLU OE2 4.312 C A 0086 ARG NH1
C A 0074 GLU OE2 5.762 C A 0086 ARG NH2
E A 0077 GLU OE1 11.52 C A 0086 ARG NH1
E A 0077 GLU OE2 11.18 C A 0086 ARG NH1
C A 0082 GLU OE2 11.69 C A 0053 HIS ND1
C A 0082 GLU OE2 10.43 C A 0053 HIS NE2
C A 0082 GLU OE2 11.04 C A 0079 LYS NZ
CHARGE_REPU 2.00 12.00 39
H A 0015 ARG NH1 10.77 C A 0053 HIS ND1
H A 0015 ARG NH1 7.591 E A 0060 HIS ND1
H A 0015 ARG NH1 9.550 E A 0060 HIS NE2
H A 0015 ARG NH2 9.100 E A 0060 HIS ND1
H A 0015 ARG NH2 10.94 E A 0060 HIS NE2
H A 0015 ARG NH1 8.096 E A 0062 LYS NZ
H A 0015 ARG NH2 9.357 E A 0062 LYS NZ
C A 0033 ASP OD1 11.47 H A 0038 ASP OD2
C A 0033 ASP OD2 11.40 H A 0038 ASP OD1
C A 0033 ASP OD2 10.84 H A 0038 ASP OD2
C A 0046 ASP OD1 8.335 C A 0048 ASP OD1
C A 0046 ASP OD1 9.485 C A 0048 ASP OD2
C A 0046 ASP OD2 8.400 C A 0048 ASP OD1
C A 0046 ASP OD2 9.110 C A 0048 ASP OD2
C A 0046 ASP OD1 6.230 C A 0051 GLU OE1
C A 0046 ASP OD1 8.125 C A 0051 GLU OE2
C A 0046 ASP OD2 7.800 C A 0051 GLU OE1
C A 0046 ASP OD2 9.678 C A 0051 GLU OE2
C A 0046 ASP OD1 10.78 C A 0067 ASP OD1
C A 0046 ASP OD1 11.28 C A 0067 ASP OD2
C A 0046 ASP OD2 8.866 C A 0067 ASP OD1
C A 0046 ASP OD2 9.216 C A 0067 ASP OD2
C A 0048 ASP OD1 6.305 C A 0051 GLU OE1
C A 0048 ASP OD1 7.393 C A 0051 GLU OE2
C A 0048 ASP OD2 8.392 C A 0051 GLU OE1
C A 0048 ASP OD2 9.542 C A 0051 GLU OE2
C A 0048 ASP OD1 10.88 C A 0067 ASP OD1
C A 0048 ASP OD2 10.11 C A 0067 ASP OD1
C A 0048 ASP OD2 11.72 C A 0067 ASP OD2
C A 0053 HIS ND1 9.278 E A 0060 HIS ND1
C A 0053 HIS ND1 10.82 E A 0060 HIS NE2
C A 0053 HIS NE2 9.347 E A 0060 HIS ND1
C A 0053 HIS NE2 10.51 E A 0060 HIS NE2
C A 0053 HIS ND1 11.88 C A 0079 LYS NZ
E A 0060 HIS ND1 7.812 E A 0062 LYS NZ
E A 0060 HIS NE2 8.124 E A 0062 LYS NZ
E A 0077 GLU OE1 10.19 C A 0082 GLU OE1
E A 0077 GLU OE1 11.60 C A 0082 GLU OE2
E A 0077 GLU OE2 11.95 C A 0082 GLU OE1
HB_MM 2.00 3.20 96
C A 0002 ASN N 2.196 C A 0001 ALA O
C A 0003 SER N 2.196 C A 0002 ASN O
C A 0004 PHE N 2.198 C A 0003 SER O
C A 0005 LEU N 2.721 C A 0003 SER O
C A 0005 LEU N 2.196 C A 0004 PHE O
C A 0008 VAL N 2.847 C A 0004 PHE O
C A 0008 VAL N 2.944 C A 0005 LEU O
C A 0009 LYS N 2.186 C A 0008 VAL O
C A 0010 GLN N 2.563 C A 0008 VAL O
C A 0010 GLN N 2.205 C A 0009 LYS O
C A 0011 GLY N 2.195 C A 0010 GLN O
C A 0012 ASN N 2.198 C A 0011 GLY O
H A 0013 LEU N 2.195 C A 0012 ASN O
H A 0018 LEU N 2.193 H A 0017 CYS O
H A 0022 CYS N 2.192 H A 0021 ALA O
H A 0023 SER N 2.194 H A 0022 CYS O
H A 0024 LEU N 2.199 H A 0023 SER O
H A 0028 ARG N 2.194 H A 0027 ALA O
H A 0030 VAL N 3.077 H A 0028 ARG O
C A 0031 PHE N 2.200 H A 0030 VAL O
C A 0033 ASP N 2.779 C A 0031 PHE O
H A 0034 ALA N 2.198 C A 0033 ASP O
H A 0037 THR N 2.173 H A 0036 GLN O
H A 0038 ASP N 2.896 H A 0036 GLN O
H A 0038 ASP N 2.165 H A 0037 THR O
H A 0040 PHE N 2.542 H A 0036 GLN O
H A 0040 PHE N 2.973 H A 0038 ASP O
H A 0041 TRP N 2.558 H A 0038 ASP O
H A 0041 TRP N 2.201 H A 0040 PHE O
C A 0042 SER N 2.191 H A 0041 TRP O
C A 0043 LYS N 2.219 C A 0042 SER O
C A 0044 TYR N 2.201 C A 0043 LYS O
C A 0045 LYS N 2.210 C A 0044 TYR O
C A 0046 ASP N 2.347 C A 0044 TYR O
C A 0046 ASP N 2.199 C A 0045 LYS O
C A 0047 GLY N 2.194 C A 0046 ASP O
C A 0048 ASP N 3.037 C A 0046 ASP O
C A 0048 ASP N 2.213 C A 0047 GLY O
C A 0049 GLN N 3.101 C A 0046 ASP O
C A 0049 GLN N 2.210 C A 0048 ASP O
C A 0050 CYS N 2.775 C A 0048 ASP O
C A 0050 CYS N 2.186 C A 0049 GLN O
C A 0051 GLU N 2.203 C A 0050 CYS O
C A 0052 GLY N 2.189 C A 0051 GLU O
C A 0053 HIS N 3.079 C A 0050 CYS O
C A 0053 HIS N 2.196 C A 0052 GLY O
C A 0054 PRO N 2.227 C A 0053 HIS O
C A 0055 CYS N 2.197 C A 0054 PRO O
C A 0056 LEU N 2.198 C A 0055 CYS O
C A 0056 LEU N 2.656 C A 0080 ASN O
C A 0057 ASN N 2.203 C A 0056 LEU O
C A 0058 GLN N 2.195 C A 0057 ASN O
E A 0059 GLY N 2.678 C A 0056 LEU O
E A 0059 GLY N 2.834 C A 0057 ASN O
E A 0059 GLY N 2.190 C A 0058 GLN O
E A 0060 HIS N 2.195 E A 0059 GLY O
E A 0060 HIS N 2.865 E A 0071 THR O
E A 0061 CYS N 2.189 E A 0060 HIS O
E A 0062 LYS N 2.198 E A 0061 CYS O
E A 0062 LYS N 2.899 E A 0069 THR O
C A 0065 ILE N 2.212 C A 0064 GLY O
C A 0066 GLY N 2.188 C A 0065 ILE O
C A 0067 ASP N 2.603 C A 0065 ILE O
C A 0067 ASP N 2.214 C A 0066 GLY O
E A 0068 TYR N 2.165 C A 0067 ASP O
E A 0069 THR N 2.729 E A 0062 LYS O
E A 0069 THR N 2.190 E A 0068 TYR O
E A 0070 CYS N 2.179 E A 0069 THR O
E A 0071 THR N 2.187 E A 0070 CYS O
E A 0072 CYS N 2.195 E A 0071 THR O
C A 0073 ALA N 2.198 E A 0072 CYS O
C A 0074 GLU N 2.201 C A 0073 ALA O
C A 0075 GLY N 3.043 C A 0073 ALA O
C A 0075 GLY N 2.184 C A 0074 GLU O
E A 0076 PHE N 2.190 C A 0075 GLY O
E A 0077 GLU N 2.195 E A 0076 PHE O
E A 0077 GLU N 2.754 E A 0083 PHE O
C A 0078 GLY N 2.195 E A 0077 GLU O
C A 0079 LYS N 2.196 C A 0078 GLY O
C A 0080 ASN N 2.189 C A 0079 LYS O
C A 0081 CYS N 3.011 C A 0078 GLY O
C A 0081 CYS N 2.188 C A 0080 ASN O
C A 0082 GLU N 2.855 E A 0077 GLU O
C A 0082 GLU N 2.811 C A 0080 ASN O
C A 0082 GLU N 2.199 C A 0081 CYS O
E A 0083 PHE N 2.797 E A 0077 GLU O
E A 0083 PHE N 2.975 C A 0081 CYS O
E A 0083 PHE N 2.191 C A 0082 GLU O
E A 0084 SER N 2.977 C A 0082 GLU O
E A 0084 SER N 2.191 E A 0083 PHE O
C A 0085 THR N 2.584 C A 0075 GLY O
C A 0085 THR N 2.697 E A 0083 PHE O
C A 0085 THR N 2.198 E A 0084 SER O
C A 0086 ARG N 2.947 C A 0075 GLY O
C A 0086 ARG N 2.744 E A 0084 SER O
C A 0086 ARG N 2.188 C A 0085 THR O
HB_MS 2.00 3.20 17
C A 0002 ASN O 2.338 C A 0003 SER OG
H A 0024 LEU N 3.000 H A 0023 SER OG
H A 0034 ALA O 2.256 H A 0037 THR OG1
H A 0037 THR O 3.105 H A 0041 TRP NE1
H A 0038 ASP N 2.694 H A 0037 THR OG1
H A 0038 ASP O 3.005 C A 0042 SER OG
H A 0041 TRP O 2.562 C A 0042 SER OG
C A 0050 CYS N 2.828 C A 0048 ASP OD1
C A 0051 GLU N 2.766 C A 0048 ASP OD1
E A 0062 LYS O 2.386 E A 0069 THR OG1
C A 0067 ASP N 2.503 C A 0049 GLN OE1
E A 0068 TYR N 2.341 C A 0067 ASP OD1
E A 0070 CYS O 2.615 E A 0071 THR OG1
C A 0075 GLY O 2.344 C A 0085 THR OG1
C A 0082 GLU O 2.945 C A 0057 ASN ND2
E A 0084 SER N 2.427 C A 0057 ASN OD1
C A 0086 ARG N 2.932 C A 0085 THR OG1
HB_SS 2.00 3.20 3
H A 0038 ASP OD1 3.157 C A 0042 SER OG
C A 0046 ASP OD2 3.128 C A 0049 GLN NE2
E A 0084 SER OG 2.504 C A 0057 ASN OD1
AROMATIC 0.00 8.00 2
H A 0040 PHE 4.653 H A 0041 TRP
C A 0079 LYS 5.255 E A 0068 TYR
SS_BOND 1.50 2.80 4
H A 0017 CYS SG 2.018 H A 0022 CYS SG
C A 0050 CYS SG 2.022 E A 0061 CYS SG
C A 0055 CYS SG 2.020 E A 0070 CYS SG
E A 0072 CYS SG 2.021 C A 0081 CYS SG