3IYL
atomic cryoem structure of a nonenveloped virus suggests how membrane penetration protein is primed for cell entry
Total interactions analyzed 300
Total true interactions 85
Strongest Interaction Chains I-J
Int. Res. 156
Norm. En. per Res. -3.7333
Hub Node C(8)
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Weak Strong
Width of edge <-> No. of inter. res.
All Interactions
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Chains Hydro. Bond Ener. (kJ/mol) Elec. Ener. (kJ/mol) VDW. Ener. (kJ/mol) Tot. Stab. Ener. (kJ/mol) #int. res. # Short cont. #Hydr. int. #VDW pairs #salt bridges #Pot. fav. elec. int #Pot. unfav. elec. int int. res.
A-B -62.3812 -6.9746 -511.097 -580.4529 156 62 10 20903 0 9 10
A-I 0.0 0.0 -0.0898 -0.0898 4 0 0 24 0 0 0
B-I 0.0 0.0 -2.7979 -2.7979 13 0 0 220 0 0 0
B-J 0.0 -14.8104 -9.5404 -24.3508 22 0 0 748 1 5 4
C-D -61.4732 -6.9728 -512.753 -581.1991 156 62 10 20909 0 9 10
C-E 0.0 5.5173 -46.1602 -40.6429 19 3 1 1739 0 2 2
C-F -7.9008 -9.1546 -21.5299 -38.5853 42 6 0 1778 0 3 3
C-G 0.0 5.5165 -46.3996 -40.8831 19 3 1 1823 0 2 2
C-H -7.2835 0.0 -115.135 -122.4185 58 30 9 7483 0 4 2
C-I 0.0 0.0 -0.0366 -0.0366 4 0 0 14 0 0 0
C-J 0.0 0.0 -1.6126 -1.6126 10 0 0 167 0 0 0
C-L 0.0 0.0 -0.1123 -0.1123 5 0 0 27 0 0 0
D-E -7.2774 0.0 -114.766 -122.0434 58 30 9 7463 0 4 2
D-F -148.5719 -178.8156 -818.037 -1145.4245 454 194 31 49913 10 102 73
D-G 0.0 -9.152 -17.9881 -27.1401 46 6 0 1870 0 3 3
D-H -132.1427 -180.8042 -816.526 -1129.4729 454 189 31 49971 10 103 72
D-J 0.0 -14.767 -7.7107 -22.4777 20 0 0 623 0 5 4
D-K -6.8166 0.0 -3.7096 -10.5262 10 3 0 245 0 0 0
D-L -29.0808 31.0903 -68.9569 -66.9475 52 8 0 3648 0 8 8
D-N 0.0 0.0 -0.0023 -0.0023 3 0 0 3 0 1 1
E-F -53.747 -6.9742 -515.943 -576.6642 156 59 10 20935 0 9 10
E-G 0.0 5.5172 -46.1555 -40.6383 19 3 1 1739 0 2 2
E-H -7.8889 -9.1548 -21.0477 -38.0914 42 6 0 1755 0 3 3
F-G -7.205 0.0 -117.033 -124.238 58 26 9 7713 0 4 2
F-H -147.7836 -182.9983 -842.259 -1173.0408 454 179 31 49707 10 102 73
F-L 0.0 0.0 -0.015 -0.015 3 0 0 13 0 1 1
F-N 0.0 0.0 -11.0338 -11.0338 33 11 1 2326 0 0 3
G-H -49.1413 -6.9726 -487.161 -543.2749 155 53 10 20758 0 9 10
G-K 0.0 0.0 -0.6273 -0.6273 5 0 0 87 0 0 0
G-L 0.0 0.0 -0.0027 -0.0027 2 0 0 2 0 1 1
H-K 0.0 0.0 -2.6973 -2.6973 18 2 1 474 0 0 0
H-L 0.0 -16.5066 -14.1218 -30.6284 27 3 1 1250 1 5 6
I-J -63.528 -6.9741 -511.895 -582.3972 156 62 10 20898 0 9 10
I-K 0.0 5.5174 -46.171 -40.6536 19 3 1 1739 0 2 2
I-L -7.899 -9.1539 -22.3008 -39.3536 42 6 0 1788 0 3 3
I-M 0.0 5.5165 -46.412 -40.8955 19 3 1 1826 0 2 2
I-N -7.2859 0.0 -115.138 -122.4239 58 30 9 7483 0 4 2
J-K -7.2793 0.0 -114.796 -122.0753 58 30 9 7461 0 4 2
J-L -149.4366 -193.7203 -832.978 -1176.1349 454 183 31 49823 10 102 73
J-M 0.0 -9.1522 -18.4803 -27.6325 44 6 0 1759 0 3 3
J-N -131.8706 -182.3088 -823.576 -1137.7554 454 187 31 49950 10 102 73
J-R 0.0 0.0 -0.0276 -0.0276 3 0 0 19 0 1 1
J-T 0.0 0.0 -32.1065 -32.1065 32 5 1 1877 0 0 3
J-V 0.0 -6.1073 2 ARG67J, ASP301V
K-L -53.7155 -6.9737 -516.079 -576.7681 156 59 10 20945 0 9 10
K-M 0.0 5.5172 -46.159 -40.6418 19 3 1 1739 0 2 2
K-N -7.8889 -9.1545 -17.513 -34.5564 42 6 0 1755 0 3 3
K-Q 0.0 0.0 -1.3537 -1.3537 8 0 0 134 0 0 0
K-R 0.0 0.0 -0.0033 -0.0033 2 0 0 2 0 1 1
L-M -7.205 0.0 -117.174 -124.379 58 26 9 7718 0 4 2
L-N -146.3947 -196.882 -837.398 -1180.6746 453 180 31 49699 10 102 73
L-Q 0.0 0.0 26.6653 26.6653 20 10 1 681 0 0 0
L-R 0.0 -18.3398 -3.3996 -21.7394 35 5 1 1481 1 5 6
M-N -48.6374 -6.9733 -486.813 -542.4237 155 53 10 20755 0 9 10
M-O 0.0 0.0 -0.0055 -0.0055 2 0 0 4 0 0 0
M-P 0.0 0.0 -0.523 -0.523 10 0 0 83 0 0 0
M-R 0.0 0.0 -0.0578 -0.0578 3 0 0 19 0 0 0
N-P 0.0 -15.4056 -3.7609 -19.1665 18 0 0 387 0 4 4
N-Q 0.0 0.0 -2.0627 -2.0627 10 0 0 225 0 0 0
N-R -7.6871 30.5588 -65.1206 -42.2489 53 7 0 3627 0 8 8
O-P -57.5704 -6.9737 -508.154 -572.6981 156 61 10 20874 0 9 10
O-Q 0.0 5.5173 -46.1734 -40.6561 19 3 1 1739 0 2 2
O-R -7.902 -9.1532 -21.0496 -38.1048 42 6 0 1758 0 3 3
O-S 0.0 5.5168 -46.412 -40.8952 19 3 1 1824 0 2 2
O-T -7.274 0.0 -115.888 -123.162 58 31 9 7496 0 4 2
P-Q -7.2835 0.0 -114.767 -122.0505 58 30 9 7463 0 4 2
P-R -148.715 -183.0617 -821.795 -1153.5717 453 186 31 49744 10 102 73
P-S 0.0 -9.1524 -20.4657 -29.6181 42 6 0 1752 0 3 3
P-T -134.8085 -183.973 -848.813 -1167.5946 455 191 31 50029 10 102 73
P-U 0.0 0.0 -11.2805 -11.2805 21 0 0 518 0 1 1
P-W -12.1082 -17.9539 2 ARG889W, ASP277P
Q-R -50.8587 -6.9763 -514.083 -571.918 156 59 10 20918 0 9 10
Q-S 0.0 5.5172 -46.163 -40.6458 19 3 1 1739 0 2 2
Q-T -7.9022 -9.1543 -20.2595 -37.316 42 7 0 1762 0 3 3
R-S -7.1977 0.0 -117.133 -124.3307 58 26 9 7708 0 4 2
R-T -146.8146 -189.0812 -831.322 -1167.2179 454 190 31 49950 10 102 73
R-W -4.7078 5.4594 4 ARG625R, ARG889W, GLN628R, PRO869W
S-T -46.4907 -6.9729 -485.509 -538.9726 155 55 10 20769 0 9 10
T-W -3.6476 -24.7019 10 ALA407W, ARG147T, ARG377W, ARG405W, ARG775W, ASP224T, ASP722W, ASP776W, GLY102T, LYS100T
U-W 0.0 -10.6725 7 ARG213W, ARG353W, ARG4U, ASP121U, ASP167W, ASP201U, ASP355W
U-X -64.8548 -40.0 32 ARG191U, ARG35U, ARG407X, ARG437X, ARG93U, ARG947X, ARG959X, ASP372X, ASP789X, ASP933X, ASP94U, CYS32U, GLN187U, GLN245U, GLN418X, GLU235U, GLU28U, GLU449X, GLU948X, HIS184U, HIS410X, HIS43U, HIS949X, HIS956X, LEU880X, LYS238U, MET175U, MET404X, PRO952X, SER408X, THR203U, TYR1195X
V-X -18.0281 -2.2276 8 ARG1023X, ARG57V, ASN1025X, ASP1040X, HIS43V, PRO1022X, SER42V, THR48V
V-Y -52.6178 -9.7205 17 ALA176V, ALA45V, ARG191V, ARG407Y, ARG437Y, ARG959Y, ASN375Y, ASP252V, ASP412Y, GLN195V, GLN245V, GLN415Y, HIS184V, HIS956Y, ILE434Y, LEU436Y, SER47V
W-X -12.2934 -40.9894 11 ARG129W, ARG170W, ARG647X, ARG773X, ASN681X, ASP161W, ASP246W, ASP694X, GLU76W, HIS645X, HIS72W
X-Y -84.9844 -54.962 41 ARG1016X, ARG1211Y, ARG125Y, ARG686Y, ARG710Y, ARG726Y, ARG737Y, ARG793X, ARG801X, ARG889X, ARG930X, ASN113Y, ASN713Y, ASP1050X, ASP1061X, ASP1095X, ASP578X, ASP723Y, ASP795X, ASP799X, ASP876X, ASP928X, GLN738Y, GLN890X, GLU1101X, GLU900X, HIS580X, HIS617X, HIS804X, HIS835Y, LYS107Y, LYS584X, LYS740Y, PRO103Y, SER1093X, THR1214Y, THR688Y, THR734Y, THR803X, THR829Y, TYR926X