2NX5
crystal structure of els4 tcr bound to hla-b*3501 presenting ebv peptide eplpqgqltay at 1.7a
Total interactions analyzed 190
Total true interactions 58
Strongest Interaction Chains Q-R
Int. Res. 123
Norm. En. per Res. -4.5451
Hub Node A(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 -75.278 -99.289 -387.958 -562.525 126 7 2 13102 6 48 44
A-C -12.2832 -26.239 -271.893 -310.4152 88 14 6 10596 2 7 6
A-D -13.2547 -4.5942 -87.7854 -105.6343 49 2 1 3868 0 6 5
A-E -35.2934 -7.3152 -95.1667 -137.7753 50 6 0 3429 2 15 12
A-I 0.0 7.3164 -56.7305 -49.4141 39 4 0 2488 0 16 17
A-J -13.9518 12.719 -60.2453 -61.478 52 3 0 2661 0 17 20
A-T -27.989 11.0061 -116.985 -133.9679 71 7 3 5301 0 21 21
A-U 0.0 0.0 -0.6053 -0.6053 11 0 0 106 0 4 2
B-C 0.0 0.0 -0.0003 -0.0003 2 0 0 1 0 0 0
B-I 0.0 -4.6304 -0.0597 -4.6901 6 0 0 9 0 8 5
B-J 0.0 0.0 -1.4557 -1.4557 13 0 0 202 0 8 6
C-D 0.0 0.0 -15.2621 -15.2621 11 0 0 529 0 0 0
C-E -18.7919 0.0 -65.9748 -84.7667 26 8 0 2250 0 0 0
D-E -77.0045 -22.4557 202.421 102.9608 204 35 16 22028 5 45 35
D-F 0.0 -7.0485 -74.1436 -81.1921 40 7 0 2994 2 21 17
D-G 0.0 0.0 -0.1749 -0.1749 7 0 0 24 0 5 3
D-I 0.0 0.0 -0.4152 -0.4152 4 0 0 59 0 0 0
D-Q -16.372 13.6004 -115.567 -118.3386 76 9 3 5431 0 24 25
D-T -6.7849 0.7025 -103.905 -109.9874 47 4 0 4297 0 8 11
E-F -10.1858 9.7231 -55.6114 -56.0741 50 5 0 2606 0 15 20
E-G 0.0 0.0 -0.5004 -0.5004 6 0 0 88 0 3 3
E-J 0.0 0.0 -0.3033 -0.3033 4 0 0 44 0 2 5
E-Q 0.0 0.0 -0.5481 -0.5481 10 0 0 107 0 3 2
F-G -85.656 -103.1827 -355.206 -544.0447 125 14 2 12535 3 45 40
F-I -22.175 -4.1491 -94.6107 -120.9348 50 4 2 4344 0 7 6
F-J -13.6553 -7.5101 -91.4457 -112.6111 52 4 0 3328 2 14 12
F-M -20.6747 -17.79 -287.267 -325.7318 90 12 5 10605 2 6 6
F-N -30.4277 6.4749 -131.867 -155.8198 77 13 3 5724 1 26 25
F-P 0.0 0.0 -1.2558 -1.2558 12 0 0 187 0 3 2
G-M 0.0 0.0 -0.0014 -0.0014 2 0 0 1 0 0 0
H-K -44.512 -15.3659 -295.989 -355.867 90 19 6 10803 0 7 6
H-L 0.0 0.0 -0.0004 -0.0004 2 0 0 1 0 0 0
H-N 0.0 0.0 -12.7752 -12.7752 12 0 0 522 0 0 0
H-P -20.2599 0.0 -65.1247 -85.3846 26 8 0 2254 0 0 0
I-J -78.8528 32.4628 193.87 147.4799 220 30 17 23511 5 45 37
I-K -8.3711 19.1436 -124.916 -114.1435 77 2 3 5526 1 25 23
I-M -13.5765 0.0 -14.5097 -28.0862 12 1 0 513 0 0 0
I-N -21.9622 0.7818 -104.468 -125.6484 46 3 0 4262 0 9 11
J-K 0.0 0.0 -1.7431 -1.7431 14 0 0 236 0 4 4
J-M -17.9869 0.0 -69.1043 -87.0912 28 4 0 2194 0 0 0
K-L -27.0006 -84.6695 -322.954 -434.6241 123 17 2 12184 5 45 42
K-N -19.5012 0.3482 -102.132 -121.285 51 5 2 4545 1 7 5
K-P -26.2605 11.1452 -85.5729 -100.6882 49 4 0 3165 1 14 13
K-T 0.0 0.5404 -3.9066 -3.3662 17 0 0 510 0 11 10
K-U 0.0 0.0 -7.6474 -7.6474 14 0 0 449 0 1 4
N-P -61.3517 18.4249 182.711 139.7841 213 23 17 23182 4 46 37
N-Q -3.7253 -3.202 -22.3011 -29.2284 27 1 0 1304 0 13 16
N-R 0.0 0.0 -0.0017 -0.0017 2 0 0 1 0 7 3
N-T 0.0 0.0 -0.0278 -0.0278 4 0 0 17 0 0 0
P-Q 0.0 0.0 -10.9149 -10.9149 14 0 0 501 0 2 4
P-R 0.0 0.0 -0.0006 -0.0006 2 0 0 2 0 0 0
Q-R -70.948 -121.2409 -366.861 -559.0499 123 19 2 12638 9 47 42
Q-S -2.6427 -19.4933 -289.402 -311.538 91 13 5 10472 1 7 7
Q-T -13.2445 -1.9608 -106.484 -121.6893 50 4 2 4645 0 6 5
Q-U -26.3968 2.5344 -77.2515 -101.1139 48 5 0 3137 0 15 13
S-T 0.0 0.0 -14.4676 -14.4676 11 0 0 537 0 0 0
S-U -26.2177 0.0 -83.27 -109.4877 26 4 0 2329 0 0 0
T-U -65.3021 18.8691 144.558 98.125 211 37 16 23258 5 43 36