Complet list of 1va2 con file
Complete list of 1va2.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 166
C A 0565 ARG CA 2.924 C A 0566 PRO CD
C A 0565 ARG C 2.466 C A 0566 PRO CA
C A 0565 ARG C 3.261 C A 0566 PRO C
C A 0565 ARG C 3.603 C A 0566 PRO CB
C A 0565 ARG C 3.665 C A 0566 PRO CG
C A 0565 ARG C 2.512 C A 0566 PRO CD
C A 0565 ARG CG 3.466 C A 0579 THR CG2
C A 0566 PRO C 2.434 E A 0567 PHE CA
C A 0566 PRO C 3.553 E A 0567 PHE C
C A 0566 PRO C 3.407 E A 0567 PHE CB
C A 0566 PRO C 3.346 E A 0567 PHE CG
C A 0566 PRO C 3.708 E A 0567 PHE CD1
C A 0566 PRO C 3.772 E A 0567 PHE CD2
C A 0566 PRO CD 3.790 E A 0567 PHE CD2
C A 0566 PRO CD 3.511 E A 0567 PHE CE2
E A 0567 PHE C 2.432 E A 0568 MET CA
E A 0567 PHE C 3.555 E A 0568 MET C
E A 0567 PHE C 3.404 E A 0568 MET CB
E A 0567 PHE C 3.697 E A 0568 MET CG
E A 0567 PHE CB 3.699 E A 0578 PHE C
E A 0567 PHE CG 3.764 C A 0579 THR C
E A 0567 PHE CD2 3.691 C A 0579 THR CA
E A 0567 PHE CD2 3.240 C A 0579 THR C
E A 0567 PHE CE2 3.730 C A 0579 THR C
E A 0567 PHE CB 3.781 H A 0584 LEU CD1
E A 0568 MET CA 3.796 C A 0569 CYS CA
E A 0568 MET C 2.427 C A 0569 CYS CA
E A 0568 MET C 3.033 C A 0569 CYS C
E A 0568 MET C 3.709 C A 0569 CYS CB
E A 0568 MET CG 3.633 E A 0577 ARG CG
E A 0568 MET C 3.294 H A 0584 LEU CD2
C A 0569 CYS C 2.430 C A 0570 THR CA
C A 0569 CYS C 3.118 C A 0570 THR C
C A 0569 CYS C 3.692 C A 0570 THR CB
C A 0569 CYS CB 3.691 E A 0578 PHE CE1
C A 0569 CYS CA 3.203 H A 0584 LEU CD2
C A 0569 CYS CB 3.469 H A 0584 LEU CD2
C A 0569 CYS CA 3.650 H A 0588 LYS CE
C A 0570 THR C 2.432 C A 0571 TRP CA
C A 0570 THR C 2.967 C A 0571 TRP C
C A 0570 THR C 3.715 C A 0571 TRP CB
C A 0571 TRP C 2.434 C A 0572 SER CA
C A 0571 TRP C 3.000 C A 0572 SER C
C A 0571 TRP C 3.715 C A 0572 SER CB
C A 0571 TRP CB 3.493 C A 0574 CYS CB
C A 0571 TRP CE3 3.431 H A 0588 LYS CD
C A 0571 TRP CZ3 3.182 H A 0588 LYS CD
C A 0571 TRP CB 3.611 C A 0591 HIS CD2
C A 0571 TRP CB 3.578 C A 0591 HIS CE1
C A 0571 TRP CG 3.488 C A 0591 HIS CG
C A 0571 TRP CG 3.384 C A 0591 HIS CD2
C A 0571 TRP CG 3.654 C A 0591 HIS CE1
C A 0571 TRP CD1 3.662 C A 0591 HIS CG
C A 0571 TRP CD2 3.732 C A 0591 HIS CB
C A 0571 TRP CD2 3.446 C A 0591 HIS CG
C A 0571 TRP CD2 3.352 C A 0591 HIS CD2
C A 0571 TRP CE2 3.411 C A 0591 HIS CB
C A 0571 TRP CE2 3.617 C A 0591 HIS CG
C A 0571 TRP CE3 3.561 C A 0591 HIS CD2
C A 0571 TRP CZ2 3.629 C A 0591 HIS CB
C A 0572 SER C 2.435 C A 0573 TYR CA
C A 0572 SER C 2.993 C A 0573 TYR C
C A 0572 SER C 3.715 C A 0573 TYR CB
C A 0573 TYR C 2.435 C A 0574 CYS CA
C A 0573 TYR C 2.992 C A 0574 CYS C
C A 0573 TYR C 3.714 C A 0574 CYS CB
C A 0574 CYS CA 3.792 C A 0575 GLY CA
C A 0574 CYS C 2.419 C A 0575 GLY CA
C A 0574 CYS C 2.952 C A 0575 GLY C
C A 0574 CYS CB 3.269 C A 0591 HIS CE1
C A 0575 GLY CA 3.792 C A 0576 LYS CA
C A 0575 GLY C 2.430 C A 0576 LYS CA
C A 0575 GLY C 3.676 C A 0576 LYS C
C A 0575 GLY C 3.176 C A 0576 LYS CB
C A 0576 LYS C 2.435 E A 0577 ARG CA
C A 0576 LYS C 3.248 E A 0577 ARG C
C A 0576 LYS C 3.651 E A 0577 ARG CB
C A 0576 LYS C 3.797 E A 0578 PHE CE1
C A 0576 LYS CD 3.602 E A 0578 PHE CE1
C A 0576 LYS CD 3.789 E A 0578 PHE CE2
C A 0576 LYS CD 3.217 E A 0578 PHE CZ
E A 0577 ARG CA 3.799 E A 0578 PHE CD1
E A 0577 ARG C 2.429 E A 0578 PHE CA
E A 0577 ARG C 3.584 E A 0578 PHE C
E A 0577 ARG C 3.354 E A 0578 PHE CB
E A 0577 ARG C 3.365 E A 0578 PHE CG
E A 0577 ARG C 3.052 E A 0578 PHE CD1
E A 0578 PHE C 2.434 C A 0579 THR CA
E A 0578 PHE C 3.440 C A 0579 THR C
E A 0578 PHE C 3.530 C A 0579 THR CB
E A 0578 PHE CD2 3.484 H A 0583 GLU CB
E A 0578 PHE CD2 3.345 H A 0583 GLU CG
E A 0578 PHE CE2 3.713 H A 0583 GLU CG
E A 0578 PHE CG 3.557 H A 0584 LEU CD2
E A 0578 PHE CD1 3.202 H A 0584 LEU CD2
E A 0578 PHE CE1 3.634 H A 0584 LEU CD2
E A 0578 PHE CE2 3.661 H A 0587 HIS CG
E A 0578 PHE CZ 3.509 H A 0587 HIS CG
E A 0578 PHE CZ 3.361 H A 0587 HIS CD2
E A 0578 PHE CZ 3.412 H A 0587 HIS CE1
C A 0579 THR C 2.432 H A 0580 ARG CA
C A 0579 THR C 3.540 H A 0580 ARG C
C A 0579 THR C 3.417 H A 0580 ARG CB
C A 0579 THR C 3.597 H A 0580 ARG CG
H A 0580 ARG CA 3.797 H A 0581 SER CA
H A 0580 ARG C 2.429 H A 0581 SER CA
H A 0580 ARG C 3.011 H A 0581 SER C
H A 0580 ARG C 3.710 H A 0581 SER CB
H A 0581 SER C 2.437 H A 0582 ASP CA
H A 0581 SER C 2.979 H A 0582 ASP C
H A 0581 SER C 3.714 H A 0582 ASP CB
H A 0582 ASP C 2.432 H A 0583 GLU CA
H A 0582 ASP C 2.951 H A 0583 GLU C
H A 0582 ASP C 3.719 H A 0583 GLU CB
H A 0582 ASP CA 3.671 H A 0585 GLN CG
H A 0583 GLU CA 3.771 H A 0584 LEU CA
H A 0583 GLU C 2.413 H A 0584 LEU CA
H A 0583 GLU C 2.959 H A 0584 LEU C
H A 0583 GLU C 3.699 H A 0584 LEU CB
H A 0584 LEU CA 3.797 H A 0585 GLN CA
H A 0584 LEU C 2.416 H A 0585 GLN CA
H A 0584 LEU C 2.950 H A 0585 GLN C
H A 0584 LEU C 3.712 H A 0585 GLN CB
H A 0584 LEU C 3.759 H A 0588 LYS CG
H A 0584 LEU CB 3.614 H A 0588 LYS CE
H A 0585 GLN CA 3.792 H A 0586 ARG CA
H A 0585 GLN C 2.431 H A 0586 ARG CA
H A 0585 GLN C 3.132 H A 0586 ARG C
H A 0585 GLN C 3.690 H A 0586 ARG CB
H A 0586 ARG C 2.427 H A 0587 HIS CA
H A 0586 ARG C 2.999 H A 0587 HIS C
H A 0586 ARG C 3.722 H A 0587 HIS CB
H A 0586 ARG CA 3.605 H A 0589 ARG CB
H A 0586 ARG C 3.417 H A 0589 ARG CB
H A 0587 HIS CA 3.792 H A 0588 LYS CA
H A 0587 HIS C 2.420 H A 0588 LYS CA
H A 0587 HIS C 2.965 H A 0588 LYS C
H A 0587 HIS C 3.719 H A 0588 LYS CB
H A 0587 HIS CD2 3.663 H A 0588 LYS CA
H A 0587 HIS CD2 3.408 H A 0588 LYS CG
H A 0587 HIS CE1 3.342 C A 0591 HIS CD2
H A 0587 HIS CE1 3.746 C A 0591 HIS CE1
H A 0588 LYS C 2.450 H A 0589 ARG CA
H A 0588 LYS C 2.935 H A 0589 ARG C
H A 0588 LYS C 3.718 H A 0589 ARG CB
H A 0588 LYS CA 3.772 C A 0591 HIS CB
H A 0589 ARG C 2.432 C A 0590 THR CA
H A 0589 ARG C 3.550 C A 0590 THR C
H A 0589 ARG C 3.417 C A 0590 THR CB
C A 0590 THR C 2.428 C A 0591 HIS CA
C A 0590 THR C 3.054 C A 0591 HIS C
C A 0590 THR C 3.708 C A 0591 HIS CB
C A 0591 HIS C 2.436 C A 0592 THR CA
C A 0591 HIS C 3.668 C A 0592 THR C
C A 0591 HIS C 3.216 C A 0592 THR CB
C A 0591 HIS C 3.371 C A 0592 THR CG2
C A 0592 THR CA 3.792 C A 0593 GLY CA
C A 0592 THR C 2.418 C A 0593 GLY CA
C A 0592 THR C 2.998 C A 0593 GLY C
C A 0593 GLY CA 3.797 C A 0594 GLU CA
C A 0593 GLY C 2.435 C A 0594 GLU CA
C A 0593 GLY C 3.701 C A 0594 GLU C
C A 0593 GLY C 3.115 C A 0594 GLU CB
C A 0594 GLU C 2.435 C A 0595 LYS CA
C A 0594 GLU C 2.998 C A 0595 LYS C
C A 0594 GLU C 3.005 C A 0595 LYS CB
CHARGE_ATTR 2.00 12.00 37
H A 0582 ASP OD1 7.644 H A 0580 ARG NH1
H A 0582 ASP OD1 9.796 H A 0580 ARG NH2
H A 0582 ASP OD2 5.673 H A 0580 ARG NH1
H A 0582 ASP OD2 7.890 H A 0580 ARG NH2
H A 0582 ASP OD1 9.146 H A 0586 ARG NH1
H A 0582 ASP OD1 10.74 H A 0586 ARG NH2
H A 0582 ASP OD2 10.07 H A 0586 ARG NH1
H A 0582 ASP OD2 11.88 H A 0586 ARG NH2
H A 0582 ASP OD1 10.59 H A 0588 LYS NZ
H A 0582 ASP OD2 11.08 H A 0588 LYS NZ
H A 0582 ASP OD1 8.466 H A 0589 ARG NH1
H A 0582 ASP OD1 8.758 H A 0589 ARG NH2
H A 0582 ASP OD2 10.53 H A 0589 ARG NH1
H A 0582 ASP OD2 10.94 H A 0589 ARG NH2
H A 0583 GLU OE1 6.981 C A 0576 LYS NZ
H A 0583 GLU OE2 7.030 C A 0576 LYS NZ
H A 0583 GLU OE1 10.47 H A 0580 ARG NH1
H A 0583 GLU OE1 11.38 H A 0580 ARG NH2
H A 0583 GLU OE2 9.149 H A 0580 ARG NH1
H A 0583 GLU OE2 9.717 H A 0580 ARG NH2
H A 0583 GLU OE1 3.754 H A 0586 ARG NH1
H A 0583 GLU OE1 4.960 H A 0586 ARG NH2
H A 0583 GLU OE2 4.981 H A 0586 ARG NH1
H A 0583 GLU OE2 6.568 H A 0586 ARG NH2
H A 0583 GLU OE1 6.935 H A 0587 HIS ND1
H A 0583 GLU OE1 8.169 H A 0587 HIS NE2
H A 0583 GLU OE2 8.260 H A 0587 HIS ND1
H A 0583 GLU OE2 9.339 H A 0587 HIS NE2
H A 0583 GLU OE1 10.29 H A 0588 LYS NZ
H A 0583 GLU OE2 11.35 H A 0588 LYS NZ
H A 0583 GLU OE1 9.045 H A 0589 ARG NH1
H A 0583 GLU OE1 10.97 H A 0589 ARG NH2
H A 0583 GLU OE2 11.04 H A 0589 ARG NH1
H A 0583 GLU OE1 11.94 C A 0591 HIS ND1
H A 0583 GLU OE1 10.97 C A 0591 HIS NE2
C A 0594 GLU OE1 10.31 C A 0595 LYS NZ
C A 0594 GLU OE2 10.84 C A 0595 LYS NZ
CHARGE_REPU 2.00 12.00 42
C A 0565 ARG NH1 9.394 H A 0580 ARG NH1
C A 0565 ARG NH1 8.366 H A 0580 ARG NH2
C A 0565 ARG NH2 11.10 H A 0580 ARG NH1
C A 0565 ARG NH2 10.16 H A 0580 ARG NH2
C A 0576 LYS NZ 9.324 H A 0586 ARG NH1
C A 0576 LYS NZ 9.127 H A 0586 ARG NH2
C A 0576 LYS NZ 5.165 H A 0587 HIS ND1
C A 0576 LYS NZ 6.425 H A 0587 HIS NE2
C A 0576 LYS NZ 11.74 H A 0588 LYS NZ
C A 0576 LYS NZ 9.364 C A 0591 HIS ND1
C A 0576 LYS NZ 8.184 C A 0591 HIS NE2
H A 0582 ASP OD1 8.127 H A 0583 GLU OE1
H A 0582 ASP OD1 8.584 H A 0583 GLU OE2
H A 0582 ASP OD2 8.564 H A 0583 GLU OE1
H A 0582 ASP OD2 8.478 H A 0583 GLU OE2
H A 0586 ARG NH1 9.193 H A 0587 HIS ND1
H A 0586 ARG NH1 10.84 H A 0587 HIS NE2
H A 0586 ARG NH2 8.475 H A 0587 HIS ND1
H A 0586 ARG NH2 10.34 H A 0587 HIS NE2
H A 0586 ARG NH1 8.351 H A 0589 ARG NH1
H A 0586 ARG NH1 10.13 H A 0589 ARG NH2
H A 0586 ARG NH2 7.979 H A 0589 ARG NH1
H A 0586 ARG NH2 9.943 H A 0589 ARG NH2
H A 0587 HIS ND1 7.968 H A 0588 LYS NZ
H A 0587 HIS NE2 6.335 H A 0588 LYS NZ
H A 0587 HIS ND1 10.63 H A 0589 ARG NH1
H A 0587 HIS NE2 11.29 H A 0589 ARG NH1
H A 0587 HIS ND1 5.174 C A 0591 HIS ND1
H A 0587 HIS ND1 4.219 C A 0591 HIS NE2
H A 0587 HIS NE2 4.641 C A 0591 HIS ND1
H A 0587 HIS NE2 2.987 C A 0591 HIS NE2
H A 0587 HIS ND1 11.25 C A 0595 LYS NZ
H A 0587 HIS NE2 10.87 C A 0595 LYS NZ
H A 0588 LYS NZ 10.64 H A 0589 ARG NH1
H A 0588 LYS NZ 11.87 H A 0589 ARG NH2
H A 0588 LYS NZ 9.115 C A 0591 HIS ND1
H A 0588 LYS NZ 7.767 C A 0591 HIS NE2
H A 0588 LYS NZ 9.784 C A 0595 LYS NZ
H A 0589 ARG NH1 8.303 C A 0595 LYS NZ
H A 0589 ARG NH2 8.886 C A 0595 LYS NZ
C A 0591 HIS ND1 9.724 C A 0595 LYS NZ
C A 0591 HIS NE2 10.63 C A 0595 LYS NZ
HB_MM 2.00 3.20 51
C A 0566 PRO N 2.251 C A 0565 ARG O
E A 0567 PHE N 2.973 C A 0565 ARG O
E A 0567 PHE N 2.250 C A 0566 PRO O
E A 0568 MET N 2.249 E A 0567 PHE O
C A 0569 CYS N 2.250 E A 0568 MET O
C A 0570 THR N 2.247 C A 0569 CYS O
C A 0571 TRP N 2.247 C A 0570 THR O
C A 0572 SER N 2.801 C A 0570 THR O
C A 0572 SER N 2.249 C A 0571 TRP O
C A 0573 TYR N 2.250 C A 0572 SER O
C A 0574 CYS N 3.050 C A 0571 TRP O
C A 0574 CYS N 3.094 C A 0572 SER O
C A 0574 CYS N 2.250 C A 0573 TYR O
C A 0575 GLY N 3.166 C A 0572 SER O
C A 0575 GLY N 2.251 C A 0574 CYS O
C A 0576 LYS N 2.251 C A 0575 GLY O
E A 0577 ARG N 2.251 C A 0576 LYS O
E A 0578 PHE N 2.676 E A 0567 PHE O
E A 0578 PHE N 2.249 E A 0577 ARG O
C A 0579 THR N 2.251 E A 0578 PHE O
H A 0580 ARG N 2.250 C A 0579 THR O
H A 0581 SER N 2.248 H A 0580 ARG O
H A 0582 ASP N 2.251 H A 0581 SER O
H A 0583 GLU N 3.195 H A 0580 ARG O
H A 0583 GLU N 3.172 H A 0581 SER O
H A 0583 GLU N 2.249 H A 0582 ASP O
H A 0584 LEU N 2.237 H A 0583 GLU O
H A 0585 GLN N 3.098 H A 0582 ASP O
H A 0585 GLN N 3.166 H A 0583 GLU O
H A 0585 GLN N 2.238 H A 0584 LEU O
H A 0586 ARG N 3.075 H A 0582 ASP O
H A 0586 ARG N 3.165 H A 0583 GLU O
H A 0586 ARG N 2.251 H A 0585 GLN O
H A 0587 HIS N 2.496 H A 0583 GLU O
H A 0587 HIS N 2.249 H A 0586 ARG O
H A 0588 LYS N 2.681 H A 0584 LEU O
H A 0588 LYS N 2.249 H A 0587 HIS O
H A 0589 ARG N 2.948 H A 0585 GLN O
H A 0589 ARG N 3.086 H A 0586 ARG O
H A 0589 ARG N 3.143 H A 0587 HIS O
H A 0589 ARG N 2.261 H A 0588 LYS O
C A 0590 THR N 3.083 H A 0587 HIS O
C A 0590 THR N 2.798 H A 0588 LYS O
C A 0590 THR N 2.250 H A 0589 ARG O
C A 0591 HIS N 2.786 H A 0588 LYS O
C A 0591 HIS N 2.247 C A 0590 THR O
C A 0592 THR N 2.251 C A 0591 HIS O
C A 0593 GLY N 2.249 C A 0592 THR O
C A 0594 GLU N 3.112 C A 0592 THR O
C A 0594 GLU N 2.251 C A 0593 GLY O
C A 0595 LYS N 2.250 C A 0594 GLU O
HB_MS 2.00 3.20 3
C A 0571 TRP N 3.183 C A 0570 THR OG1
H A 0581 SER O 2.587 H A 0585 GLN NE2
H A 0582 ASP N 2.923 H A 0581 SER OG
AROMATIC 0.00 8.00 9
C A 0571 TRP 4.295 C A 0591 HIS
H A 0587 HIS 4.307 C A 0591 HIS
H A 0588 LYS 6.680 C A 0571 TRP
H A 0588 LYS 7.925 C A 0591 HIS
C A 0595 LYS 7.576 C A 0571 TRP
C A 0565 ARG 6.589 E A 0567 PHE
C A 0576 LYS 5.894 H A 0587 HIS
H A 0588 LYS 6.733 H A 0587 HIS
C A 0576 LYS 4.820 E A 0578 PHE