Complet list of 1va3 con file
Complete list of 1va3.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 118
C A 0595 LYS C 2.435 C A 0596 LYS CA
C A 0595 LYS C 3.245 C A 0596 LYS C
C A 0595 LYS C 3.653 C A 0596 LYS CB
C A 0595 LYS CB 3.607 C A 0597 PHE CE2
C A 0595 LYS CB 3.609 C A 0597 PHE CZ
C A 0595 LYS CD 3.764 C A 0597 PHE CE1
C A 0595 LYS CD 3.762 C A 0597 PHE CZ
C A 0596 LYS C 2.434 C A 0597 PHE CA
C A 0596 LYS C 3.209 C A 0597 PHE C
C A 0596 LYS C 3.667 C A 0597 PHE CB
C A 0597 PHE C 2.433 C A 0598 ALA CA
C A 0597 PHE C 3.697 C A 0598 ALA C
C A 0597 PHE C 3.113 C A 0598 ALA CB
C A 0597 PHE CD2 3.619 C A 0608 ARG C
C A 0597 PHE CE2 3.621 C A 0608 ARG C
C A 0597 PHE CE2 3.776 H A 0609 SER CA
C A 0597 PHE CE2 3.369 H A 0609 SER CB
C A 0597 PHE CZ 3.237 H A 0609 SER CB
C A 0597 PHE CB 3.314 H A 0612 LEU CD1
C A 0597 PHE CG 3.432 H A 0612 LEU CD1
C A 0598 ALA C 2.434 C A 0599 CYS CA
C A 0598 ALA C 3.113 C A 0599 CYS C
C A 0598 ALA C 3.699 C A 0599 CYS CB
C A 0599 CYS CA 2.921 C A 0600 PRO CD
C A 0599 CYS C 2.464 C A 0600 PRO CA
C A 0599 CYS C 3.210 C A 0600 PRO C
C A 0599 CYS C 3.624 C A 0600 PRO CB
C A 0599 CYS C 3.661 C A 0600 PRO CG
C A 0599 CYS C 2.512 C A 0600 PRO CD
C A 0600 PRO C 2.434 C A 0601 GLU CA
C A 0600 PRO C 3.391 C A 0601 GLU C
C A 0600 PRO C 3.569 C A 0601 GLU CB
C A 0601 GLU C 2.433 C A 0602 CYS CA
C A 0601 GLU C 3.581 C A 0602 CYS C
C A 0601 GLU C 3.367 C A 0602 CYS CB
C A 0601 GLU CB 3.564 H A 0619 HIS CG
C A 0601 GLU CB 3.403 H A 0619 HIS CD2
C A 0601 GLU CB 3.626 H A 0619 HIS CE1
C A 0602 CYS CA 2.903 C A 0603 PRO CD
C A 0602 CYS C 2.454 C A 0603 PRO CA
C A 0602 CYS C 3.304 C A 0603 PRO C
C A 0602 CYS C 3.571 C A 0603 PRO CB
C A 0602 CYS C 3.634 C A 0603 PRO CG
C A 0602 CYS C 2.501 C A 0603 PRO CD
C A 0602 CYS CB 3.041 C A 0603 PRO CD
C A 0603 PRO C 2.434 C A 0604 LYS CA
C A 0603 PRO C 3.009 C A 0604 LYS C
C A 0603 PRO C 3.714 C A 0604 LYS CB
C A 0604 LYS C 2.434 C A 0605 ARG CA
C A 0604 LYS C 3.618 C A 0605 ARG C
C A 0604 LYS C 3.310 C A 0605 ARG CB
C A 0604 LYS C 3.214 C A 0605 ARG CG
C A 0605 ARG C 2.433 C A 0606 PHE CA
C A 0605 ARG C 3.576 C A 0606 PHE C
C A 0605 ARG C 3.375 C A 0606 PHE CB
C A 0605 ARG C 3.296 C A 0606 PHE CG
C A 0605 ARG C 3.082 C A 0606 PHE CD1
C A 0606 PHE C 2.434 C A 0607 MET CA
C A 0606 PHE C 2.993 C A 0607 MET C
C A 0606 PHE C 3.715 C A 0607 MET CB
C A 0606 PHE CD2 3.724 H A 0612 LEU CG
C A 0606 PHE CD2 3.303 H A 0612 LEU CD2
C A 0606 PHE CE2 3.499 H A 0615 HIS CG
C A 0606 PHE CE2 3.791 H A 0615 HIS CE1
C A 0606 PHE CZ 3.570 H A 0615 HIS CE1
C A 0607 MET C 2.434 C A 0608 ARG CA
C A 0607 MET C 3.328 C A 0608 ARG C
C A 0607 MET C 3.609 C A 0608 ARG CB
C A 0608 ARG C 2.436 H A 0609 SER CA
C A 0608 ARG C 3.433 H A 0609 SER C
C A 0608 ARG C 3.537 H A 0609 SER CB
H A 0609 SER C 2.435 H A 0610 ASP CA
H A 0609 SER C 2.987 H A 0610 ASP C
H A 0609 SER C 3.716 H A 0610 ASP CB
H A 0610 ASP C 2.432 H A 0611 HIS CA
H A 0610 ASP C 3.064 H A 0611 HIS C
H A 0610 ASP C 3.707 H A 0611 HIS CB
H A 0611 HIS C 2.434 H A 0612 LEU CA
H A 0611 HIS C 2.985 H A 0612 LEU C
H A 0611 HIS C 3.714 H A 0612 LEU CB
H A 0612 LEU C 2.435 H A 0613 SER CA
H A 0612 LEU C 3.073 H A 0613 SER C
H A 0612 LEU C 3.708 H A 0613 SER CB
H A 0612 LEU C 3.589 H A 0616 ILE CD1
H A 0612 LEU CB 3.763 H A 0616 ILE CD1
H A 0613 SER C 2.433 H A 0614 LYS CA
H A 0613 SER C 3.127 H A 0614 LYS C
H A 0613 SER C 3.694 H A 0614 LYS CB
H A 0614 LYS C 2.434 H A 0615 HIS CA
H A 0614 LYS C 3.085 H A 0615 HIS C
H A 0614 LYS C 3.704 H A 0615 HIS CB
H A 0615 HIS C 2.435 H A 0616 ILE CA
H A 0615 HIS C 3.076 H A 0616 ILE C
H A 0615 HIS C 3.730 H A 0616 ILE CB
H A 0615 HIS C 3.770 H A 0618 THR CG2
H A 0615 HIS CD2 3.478 H A 0619 HIS CD2
H A 0616 ILE C 2.434 H A 0617 LYS CA
H A 0616 ILE C 2.991 H A 0617 LYS C
H A 0616 ILE C 3.715 H A 0617 LYS CB
H A 0616 ILE C 3.767 H A 0619 HIS CB
H A 0617 LYS C 2.434 H A 0618 THR CA
H A 0617 LYS C 3.041 H A 0618 THR C
H A 0617 LYS C 3.711 H A 0618 THR CB
H A 0618 THR C 2.435 H A 0619 HIS CA
H A 0618 THR C 2.974 H A 0619 HIS C
H A 0618 THR C 3.716 H A 0619 HIS CB
H A 0619 HIS C 2.434 H A 0620 GLN CA
H A 0619 HIS C 3.315 H A 0620 GLN C
H A 0619 HIS C 3.615 H A 0620 GLN CB
H A 0620 GLN C 2.433 C A 0621 ASN CA
H A 0620 GLN C 3.617 C A 0621 ASN C
H A 0620 GLN C 3.313 C A 0621 ASN CB
C A 0621 ASN C 2.434 C A 0622 LYS CA
C A 0621 ASN C 3.257 C A 0622 LYS C
C A 0621 ASN C 3.647 C A 0622 LYS CB
C A 0622 LYS C 2.435 C A 0623 LYS CA
C A 0622 LYS C 3.471 C A 0623 LYS C
C A 0622 LYS C 3.499 C A 0623 LYS CB
CHARGE_ATTR 2.00 12.00 20
C A 0601 GLU OE1 11.41 H A 0615 HIS ND1
C A 0601 GLU OE1 9.344 H A 0615 HIS NE2
C A 0601 GLU OE2 10.82 H A 0615 HIS ND1
C A 0601 GLU OE2 8.946 H A 0615 HIS NE2
C A 0601 GLU OE1 5.791 H A 0619 HIS ND1
C A 0601 GLU OE1 6.319 H A 0619 HIS NE2
C A 0601 GLU OE2 4.773 H A 0619 HIS ND1
C A 0601 GLU OE2 5.931 H A 0619 HIS NE2
H A 0610 ASP OD1 6.413 C A 0608 ARG NH1
H A 0610 ASP OD1 8.234 C A 0608 ARG NH2
H A 0610 ASP OD2 5.059 C A 0608 ARG NH1
H A 0610 ASP OD2 6.775 C A 0608 ARG NH2
H A 0610 ASP OD1 8.144 H A 0611 HIS ND1
H A 0610 ASP OD1 7.068 H A 0611 HIS NE2
H A 0610 ASP OD2 6.516 H A 0611 HIS ND1
H A 0610 ASP OD2 5.104 H A 0611 HIS NE2
H A 0610 ASP OD1 6.946 H A 0614 LYS NZ
H A 0610 ASP OD2 5.796 H A 0614 LYS NZ
H A 0610 ASP OD1 9.969 H A 0617 LYS NZ
H A 0610 ASP OD2 10.94 H A 0617 LYS NZ
CHARGE_REPU 2.00 12.00 30
C A 0595 LYS NZ 10.73 C A 0596 LYS NZ
C A 0596 LYS NZ 10.20 C A 0605 ARG NH1
C A 0596 LYS NZ 9.919 C A 0605 ARG NH2
C A 0604 LYS NZ 8.281 C A 0605 ARG NH1
C A 0604 LYS NZ 9.609 C A 0605 ARG NH2
C A 0604 LYS NZ 11.72 H A 0611 HIS ND1
C A 0604 LYS NZ 7.129 H A 0615 HIS ND1
C A 0604 LYS NZ 7.398 H A 0615 HIS NE2
C A 0604 LYS NZ 10.87 H A 0619 HIS ND1
C A 0604 LYS NZ 9.373 H A 0619 HIS NE2
C A 0605 ARG NH1 11.36 H A 0615 HIS ND1
C A 0605 ARG NH1 10.74 H A 0615 HIS NE2
C A 0605 ARG NH2 11.60 H A 0615 HIS NE2
C A 0608 ARG NH1 6.042 H A 0611 HIS ND1
C A 0608 ARG NH1 4.811 H A 0611 HIS NE2
C A 0608 ARG NH2 7.526 H A 0611 HIS ND1
C A 0608 ARG NH2 6.102 H A 0611 HIS NE2
C A 0608 ARG NH1 9.481 H A 0614 LYS NZ
C A 0608 ARG NH2 10.96 H A 0614 LYS NZ
H A 0611 HIS ND1 6.594 H A 0614 LYS NZ
H A 0611 HIS NE2 5.907 H A 0614 LYS NZ
H A 0611 HIS ND1 8.163 H A 0615 HIS ND1
H A 0611 HIS ND1 10.21 H A 0615 HIS NE2
H A 0611 HIS NE2 10.23 H A 0615 HIS ND1
H A 0614 LYS NZ 11.26 H A 0615 HIS ND1
H A 0614 LYS NZ 8.930 H A 0617 LYS NZ
H A 0615 HIS ND1 6.497 H A 0619 HIS ND1
H A 0615 HIS ND1 5.183 H A 0619 HIS NE2
H A 0615 HIS NE2 4.823 H A 0619 HIS ND1
H A 0615 HIS NE2 3.136 H A 0619 HIS NE2
HB_MM 2.00 3.20 39
C A 0596 LYS N 2.250 C A 0595 LYS O
C A 0597 PHE N 3.131 C A 0595 LYS O
C A 0597 PHE N 2.250 C A 0596 LYS O
C A 0598 ALA N 2.250 C A 0597 PHE O
C A 0599 CYS N 2.251 C A 0598 ALA O
C A 0600 PRO N 2.251 C A 0599 CYS O
C A 0601 GLU N 2.249 C A 0600 PRO O
C A 0602 CYS N 2.250 C A 0601 GLU O
C A 0603 PRO N 2.250 C A 0602 CYS O
C A 0604 LYS N 2.249 C A 0603 PRO O
C A 0605 ARG N 2.250 C A 0604 LYS O
C A 0606 PHE N 2.250 C A 0605 ARG O
C A 0607 MET N 2.250 C A 0606 PHE O
C A 0608 ARG N 3.028 C A 0606 PHE O
C A 0608 ARG N 2.250 C A 0607 MET O
H A 0609 SER N 2.251 C A 0608 ARG O
H A 0610 ASP N 2.250 H A 0609 SER O
H A 0611 HIS N 2.250 H A 0610 ASP O
H A 0612 LEU N 3.110 H A 0609 SER O
H A 0612 LEU N 2.250 H A 0611 HIS O
H A 0613 SER N 3.199 H A 0610 ASP O
H A 0613 SER N 2.949 H A 0611 HIS O
H A 0613 SER N 2.251 H A 0612 LEU O
H A 0614 LYS N 3.023 H A 0611 HIS O
H A 0614 LYS N 2.249 H A 0613 SER O
H A 0615 HIS N 3.095 H A 0611 HIS O
H A 0615 HIS N 2.250 H A 0614 LYS O
H A 0616 ILE N 2.895 H A 0612 LEU O
H A 0616 ILE N 2.250 H A 0615 HIS O
H A 0617 LYS N 3.045 H A 0613 SER O
H A 0617 LYS N 2.250 H A 0616 ILE O
H A 0618 THR N 2.250 H A 0617 LYS O
H A 0619 HIS N 3.144 H A 0616 ILE O
H A 0619 HIS N 2.250 H A 0618 THR O
H A 0620 GLN N 3.183 H A 0618 THR O
H A 0620 GLN N 2.250 H A 0619 HIS O
C A 0621 ASN N 2.250 H A 0620 GLN O
C A 0622 LYS N 2.250 C A 0621 ASN O
C A 0623 LYS N 2.250 C A 0622 LYS O
HB_MS 2.00 3.20 2
H A 0610 ASP O 2.539 H A 0613 SER OG
H A 0614 LYS N 2.827 H A 0613 SER OG
AROMATIC 0.00 8.00 6
C A 0608 ARG 5.080 H A 0611 HIS
H A 0614 LYS 6.098 H A 0611 HIS
C A 0604 LYS 7.783 H A 0615 HIS
C A 0604 LYS 6.865 C A 0606 PHE
C A 0595 LYS 5.514 C A 0597 PHE
H A 0615 HIS 4.670 H A 0619 HIS