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 |
-70.053 |
-11.6932 |
-359.205 |
-440.9511 |
122 |
24 |
10 |
14000 |
2 |
21 |
26 |
|
A-G |
-51.068 |
-34.8215 |
-368.924 |
-454.8135 |
131 |
15 |
9 |
14494 |
2 |
26 |
26 |
|
A-H |
-4.2366 |
-26.4228 |
-83.9075 |
-114.5669 |
47 |
3 |
4 |
3618 |
2 |
12 |
16 |
|
A-I |
-20.3715 |
-78.5728 |
-174.066 |
-273.0103 |
61 |
12 |
1 |
6421 |
9 |
14 |
22 |
|
A-2 |
0.0 |
0.0 |
-11.4499 |
-11.4499 |
15 |
1 |
0 |
563 |
0 |
3 |
4 |
|
A-4 |
-5.849 |
-61.1213 |
0.0 |
-66.9703 |
15 |
0 |
0 |
0 |
0 |
0 |
0 |
|
B-C |
-19.9527 |
-18.3385 |
-151.772 |
-190.0632 |
75 |
4 |
4 |
7006 |
1 |
15 |
12 |
|
B-I |
-64.1121 |
-39.2662 |
-161.813 |
-265.1913 |
76 |
12 |
3 |
6369 |
4 |
16 |
17 |
|
B-J |
0.0 |
9.0152 |
-113.811 |
-104.7958 |
56 |
2 |
2 |
4753 |
1 |
16 |
22 |
|
B-4 |
0.0 |
-4.5217 |
0.0 |
-4.5217 |
9 |
0 |
0 |
0 |
0 |
0 |
0 |
|
B-5 |
0.0 |
-4.962 |
2 |
GLU11955, LYS2177B |
C-D |
-46.9995 |
-6.6009 |
-284.328 |
-337.9283 |
116 |
21 |
4 |
11884 |
1 |
24 |
27 |
|
C-I |
0.0 |
16.2095 |
-8.2438 |
7.9658 |
11 |
0 |
0 |
276 |
0 |
5 |
4 |
|
C-J |
-6.6902 |
-3.8576 |
-112.272 |
-122.8198 |
50 |
4 |
1 |
4840 |
0 |
17 |
22 |
|
C-K |
-24.7802 |
-36.2283 |
-127.379 |
-188.3875 |
50 |
3 |
2 |
4838 |
4 |
22 |
24 |
|
C-5 |
0.0 |
8.8103 |
9 |
ASP13835, ASP3179C, ASP3202C, ASP3209C, GLU13755, GLU14975, HIS14955, LYS14945, LYS3199C |
D-E |
-17.9847 |
-27.427 |
-170.289 |
-215.7007 |
80 |
20 |
4 |
7584 |
3 |
17 |
14 |
|
D-K |
-9.1383 |
-11.8811 |
-88.618 |
-109.6374 |
45 |
3 |
3 |
4045 |
1 |
16 |
13 |
|
D-L |
-12.5191 |
-73.9695 |
-74.178 |
-160.6666 |
47 |
1 |
1 |
3362 |
7 |
41 |
28 |
|
D-5 |
-15.8195 |
-8.2025 |
25 |
ARG4049D, ARG4166D, ASP16665, ASP16675, ASP17155, ASP17955, GLN17605, GLN4204D, GLU16235, GLU17115, GLU17185, GLU17535, GLU4173D, GLU4176D, GLU4201D, GLU4237D, HIS17145, HIS17595, LYS16685, LYS18735, LYS4053D, LYS4169D, LYS4177D, LYS4208D, LYS4240D |
E-F |
-38.1748 |
-47.4292 |
-278.458 |
-364.062 |
125 |
14 |
8 |
11734 |
3 |
38 |
30 |
|
E-L |
-23.3519 |
-37.2133 |
-91.8405 |
-152.4057 |
51 |
5 |
1 |
4181 |
6 |
28 |
28 |
|
E-M |
-9.9228 |
-36.1469 |
-139.831 |
-185.9006 |
51 |
2 |
0 |
4681 |
4 |
30 |
25 |
|
E-4 |
0.0 |
-11.6206 |
0.0 |
-11.6206 |
4 |
0 |
0 |
0 |
0 |
0 |
0 |
|
E-5 |
-15.8011 |
37.1771 |
25 |
ARG21395, ARG5005E, ARG5020E, ARG5053E, ASP19195, ASP21165, ASP5009E, ASP5213E, GLU20055, GLU5007E, GLU5018E, GLU5025E, GLU5051E, GLU5159E, GLU5177E, GLU5209E, GLU5210E, HIS19175, LYS19185, LYS21115, LYS21125, LYS5211E, SER21085, SER5006E, TYR20745 |
F-G |
-50.597 |
-31.7467 |
-381.328 |
-463.6717 |
131 |
12 |
11 |
14875 |
1 |
31 |
33 |
|
F-M |
-18.2569 |
-29.2623 |
-79.8822 |
-127.4013 |
41 |
6 |
0 |
3325 |
3 |
13 |
17 |
|
F-N |
-13.0478 |
-36.4403 |
-145.69 |
-195.1781 |
56 |
2 |
3 |
5414 |
2 |
29 |
12 |
|
F-4 |
-27.5451 |
27.3957 |
0.0 |
-0.1494 |
10 |
0 |
0 |
0 |
0 |
0 |
0 |
|
F-5 |
-90.2839 |
-83.5253 |
26 |
ALA21435, ALA6078F, ARG20485, ARG20945, ARG6003F, ARG6164F, ARG6202F, ASP21165, ASP21325, ASP6203F, GLN20495, GLN6031F, GLU20475, GLU21315, GLU21345, GLU6027F, GLU6055F, GLU6204F, GLY6076F, LYS20535, LYS21115, LYS6030F, LYS6062F, PHE6002F, SER20455, TYR21415 |
G-H |
-17.2656 |
-9.8767 |
-113.076 |
-140.2183 |
51 |
1 |
4 |
4746 |
0 |
15 |
10 |
|
G-N |
-21.9671 |
-37.5274 |
-102.406 |
-161.9005 |
56 |
7 |
2 |
4393 |
7 |
33 |
22 |
|
G-4 |
-9.9976 |
10.7709 |
0.0 |
0.7733 |
7 |
0 |
0 |
0 |
0 |
0 |
0 |
|
H-I |
-36.2178 |
-48.5986 |
-91.553 |
-176.3694 |
66 |
5 |
3 |
3957 |
3 |
15 |
5 |
|
H-N |
-28.9411 |
-24.0302 |
-160.582 |
-213.5533 |
68 |
11 |
1 |
6836 |
5 |
22 |
18 |
|
H-V |
-13.3196 |
-18.509 |
-188.369 |
-220.1976 |
55 |
6 |
3 |
6788 |
4 |
12 |
11 |
|
H-2 |
-92.0821 |
2.0757 |
-342.78 |
-432.7864 |
115 |
24 |
9 |
14029 |
3 |
29 |
31 |
|
I-J |
-97.714 |
-127.7318 |
-364.551 |
-589.9968 |
144 |
15 |
14 |
15415 |
8 |
44 |
35 |
|
I-Z |
0.0 |
0.0 |
-8.9045 |
-8.9045 |
7 |
0 |
1 |
478 |
0 |
0 |
0 |
|
I-1 |
-77.2536 |
-67.7363 |
-324.112 |
-469.1018 |
118 |
40 |
6 |
14342 |
5 |
34 |
38 |
|
I-2 |
-8.2045 |
-36.2142 |
-194.546 |
-238.9647 |
90 |
14 |
5 |
9052 |
1 |
21 |
21 |
|
J-K |
-16.8398 |
-58.213 |
-121.95 |
-197.0028 |
75 |
9 |
4 |
5936 |
3 |
12 |
11 |
|
J-Z |
-34.9369 |
-57.6324 |
-244.888 |
-337.4573 |
89 |
9 |
4 |
9596 |
3 |
21 |
20 |
|
J-1 |
-52.4683 |
-25.8142 |
-198.491 |
-276.7735 |
77 |
15 |
1 |
7868 |
3 |
20 |
21 |
|
K-L |
-11.1714 |
-57.5588 |
-147.521 |
-216.2512 |
66 |
8 |
4 |
6433 |
5 |
21 |
22 |
|
K-Y |
-47.8788 |
-36.1816 |
-156.336 |
-240.3964 |
54 |
5 |
2 |
6532 |
2 |
18 |
31 |
|
K-Z |
-29.2353 |
-45.8789 |
-210.379 |
-285.4932 |
78 |
18 |
2 |
8153 |
4 |
20 |
17 |
|
L-M |
-43.643 |
-39.9639 |
-187.546 |
-271.1529 |
88 |
9 |
5 |
6668 |
3 |
25 |
18 |
|
L-W |
0.0 |
0.0 |
-8.6372 |
-8.6372 |
7 |
0 |
1 |
480 |
0 |
0 |
0 |
|
L-X |
-34.3236 |
-59.4923 |
-243.121 |
-336.9369 |
91 |
10 |
4 |
9640 |
4 |
21 |
20 |
|
L-Y |
-35.4517 |
-46.0286 |
-207.908 |
-289.3884 |
78 |
15 |
2 |
8193 |
5 |
21 |
17 |
|
M-N |
-18.3264 |
-90.65 |
-258.542 |
-367.5184 |
98 |
8 |
6 |
10104 |
9 |
29 |
24 |
|
M-W |
-76.4152 |
-68.889 |
-328.383 |
-473.6872 |
118 |
40 |
6 |
14496 |
5 |
34 |
39 |
|
M-X |
-52.8213 |
-26.0606 |
-184.671 |
-263.5529 |
78 |
15 |
1 |
7908 |
3 |
20 |
21 |
|
N-O |
0.0 |
0.0 |
-11.185 |
-11.185 |
16 |
1 |
0 |
561 |
0 |
3 |
4 |
|
N-V |
-88.9106 |
2.9979 |
-342.931 |
-428.8437 |
113 |
21 |
9 |
13980 |
3 |
29 |
31 |
|
N-W |
-23.1881 |
-37.5622 |
-196.332 |
-257.0822 |
90 |
12 |
5 |
9059 |
1 |
21 |
21 |
|
O-P |
-77.5702 |
-11.8444 |
-358.048 |
-447.4626 |
122 |
25 |
10 |
14064 |
2 |
21 |
25 |
|
O-U |
-50.3047 |
-34.7041 |
-371.376 |
-456.3848 |
129 |
13 |
9 |
14477 |
2 |
26 |
26 |
|
O-V |
-4.6794 |
-27.4849 |
-86.6439 |
-118.8082 |
47 |
1 |
4 |
3662 |
2 |
12 |
16 |
|
O-W |
-13.0486 |
-78.1717 |
-171.879 |
-263.0993 |
60 |
10 |
1 |
6362 |
9 |
14 |
22 |
|
O-7 |
-5.9068 |
-60.7269 |
15 |
ARG1014O, ARG1024O, ARG8677, ASP7677, ASP7697, ASP8097, GLU1029O, GLU1177O, GLU1183O, GLU8137, LYS1033O, LYS1174O, LYS8127, LYS8147, LYS8707 |
P-Q |
-26.036 |
-17.713 |
-148.988 |
-192.737 |
75 |
6 |
4 |
6997 |
1 |
15 |
12 |
|
P-W |
-49.7468 |
-39.645 |
-163.86 |
-253.2518 |
77 |
8 |
3 |
6387 |
4 |
16 |
17 |
|
P-X |
-12.3298 |
8.4968 |
-110.85 |
-114.683 |
54 |
4 |
2 |
4755 |
1 |
16 |
22 |
|
P-7 |
0.0 |
-4.8297 |
9 |
ARG10037, ARG8597, GLU10077, GLU2201P, GLU2203P, GLU8637, HIS10047, LYS2050P, LYS2197P |
P-8 |
0.0 |
-5.1228 |
2 |
GLU11958, LYS2177P |
Q-R |
-47.3633 |
-6.2791 |
-284.269 |
-337.9114 |
115 |
21 |
4 |
11895 |
1 |
24 |
27 |
|
Q-W |
0.0 |
16.1182 |
-7.8657 |
8.2525 |
11 |
0 |
0 |
271 |
0 |
5 |
4 |
|
Q-X |
-6.0012 |
-3.795 |
-109.372 |
-119.1681 |
49 |
3 |
1 |
4781 |
0 |
17 |
22 |
|
Q-Y |
-24.0464 |
-35.9772 |
-127.909 |
-187.9326 |
49 |
3 |
2 |
4827 |
4 |
22 |
24 |
|
Q-8 |
0.0 |
8.8019 |
9 |
ASP13838, ASP3179Q, ASP3202Q, ASP3209Q, GLU13758, GLU14978, HIS14958, LYS14948, LYS3199Q |
R-S |
-12.6095 |
-27.3855 |
-167.005 |
-207.0 |
80 |
14 |
4 |
7551 |
3 |
17 |
14 |
|
R-Y |
-9.1897 |
-12.7628 |
-86.9419 |
-108.8944 |
44 |
3 |
3 |
4000 |
1 |
16 |
13 |
|
R-Z |
-12.3078 |
-74.8917 |
-74.9237 |
-162.1232 |
47 |
1 |
1 |
3372 |
7 |
41 |
28 |
|
R-8 |
-23.5478 |
-24.5005 |
26 |
ARG17988, ARG4049R, ARG4166R, ASP16668, ASP16678, ASP17158, ASP17958, GLN17608, GLN4204R, GLU16238, GLU17118, GLU17188, GLU17538, GLU4173R, GLU4176R, GLU4201R, GLU4237R, HIS17148, HIS17598, LYS16688, LYS18738, LYS4053R, LYS4169R, LYS4177R, LYS4208R, LYS4240R |
S-T |
-48.2694 |
-49.1021 |
-282.378 |
-379.7495 |
128 |
17 |
8 |
11799 |
3 |
38 |
30 |
|
S-Z |
-23.5015 |
-38.2993 |
-93.381 |
-155.1819 |
50 |
7 |
1 |
4226 |
6 |
28 |
28 |
|
S-1 |
0.0 |
-32.3307 |
-137.071 |
-169.4017 |
53 |
2 |
0 |
4649 |
4 |
30 |
25 |
|
S-7 |
0.0 |
-11.917 |
4 |
ARG5005S, GLU5007S, HIS5237, LYS5897 |
S-8 |
-20.3926 |
36.4902 |
27 |
ARG21398, ARG5005S, ARG5020S, ARG5053S, ASP19198, ASP21168, ASP5009S, ASP5213S, GLU20058, GLU5007S, GLU5018S, GLU5025S, GLU5051S, GLU5159S, GLU5177S, GLU5209S, GLU5210S, GLY5019S, HIS19178, LEU5003S, LYS19188, LYS21118, LYS21128, LYS5211S, SER21088, TYR20748, TYR21428 |
T-U |
-56.9439 |
-31.6358 |
-382.646 |
-471.2257 |
133 |
14 |
11 |
14928 |
1 |
31 |
35 |
|
T-1 |
-16.0877 |
-39.5038 |
-79.0432 |
-134.6346 |
42 |
7 |
0 |
3348 |
4 |
13 |
17 |
|
T-2 |
-11.6242 |
-36.7367 |
-139.256 |
-187.6169 |
55 |
0 |
3 |
5274 |
2 |
28 |
12 |
|
T-7 |
-19.5146 |
27.577 |
8 |
ARG6003T, ARG6357, ARG6377, ASN6005T, GLN5877, HIS6367, LYS5897, MET6001T |
T-8 |
-85.2398 |
-82.178 |
26 |
ALA21438, ALA6078T, ARG20488, ARG20948, ARG6003T, ARG6164T, ARG6202T, ASP21168, ASP21328, ASP6203T, GLN20498, GLN6031T, GLU20478, GLU21318, GLU21348, GLU6027T, GLU6055T, GLU6204T, GLY6076T, LEU21378, LYS20538, LYS21118, LYS6030T, LYS6062T, PHE6002T, TYR21418 |
U-V |
-15.6879 |
-9.673 |
-107.969 |
-133.3299 |
53 |
2 |
4 |
4665 |
0 |
15 |
10 |
|
U-2 |
-21.7039 |
-36.5253 |
-104.802 |
-163.0313 |
55 |
5 |
2 |
4445 |
6 |
33 |
22 |
|
U-7 |
-5.529 |
9.7428 |
5 |
ASN6767, ASP6777, ASP7008U, ASP7017U, GLU8137 |
V-W |
-34.2381 |
-48.2695 |
-90.3967 |
-172.9043 |
65 |
6 |
3 |
3948 |
3 |
15 |
5 |
|
V-2 |
-29.191 |
-24.2796 |
-161.281 |
-214.7516 |
69 |
10 |
1 |
6838 |
6 |
22 |
18 |
|
W-X |
-94.2379 |
-127.1348 |
-362.415 |
-583.7877 |
144 |
15 |
14 |
15390 |
8 |
44 |
35 |
|
X-Y |
-15.9147 |
-58.6466 |
-120.881 |
-195.4423 |
76 |
10 |
4 |
6001 |
3 |
13 |
11 |
|
Y-Z |
-14.2674 |
-57.2898 |
-146.876 |
-218.4332 |
67 |
12 |
4 |
6461 |
5 |
21 |
22 |
|
Z-1 |
-52.8123 |
-39.9532 |
-186.571 |
-279.3365 |
92 |
9 |
5 |
6713 |
3 |
25 |
18 |
|
1-2 |
-26.2615 |
-92.178 |
-259.016 |
-377.4555 |
99 |
15 |
6 |
10310 |
10 |
29 |
24 |
|
3-4 |
-34.3186 |
-116.5791 |
-241.207 |
-392.1047 |
94 |
15 |
9 |
10675 |
2 |
20 |
24 |
|
3-5 |
-13.6976 |
-20.0142 |
11 |
ARG12635, ARG853, ASP11485, ASP1353, ASP14145, GLU1193, GLU1233, GLU12455, GLU1313, GLU843, HIS883 |
4-5 |
-91.7477 |
-128.0762 |
81 |
ALA15265, ARG10034, ARG11745, ARG11785, ARG12495, ARG12635, ARG12715, ARG18285, ARG3334, ARG4804, ARG6504, ARG8834, ARG9364, ARG9594, ASN11715, ASN11935, ASN5264, ASP10314, ASP10334, ASP11485, ASP12145, ASP12245, ASP15185, ASP15655, ASP18305, ASP18325, ASP2964, ASP3284, ASP3304, ASP4064, ASP4654, ASP4664, ASP8804, ASP9344, GLN12175, GLN2744, GLU12185, GLU12455, GLU20235, GLU5094, GLU5194, GLU6064, GLU7874, GLU9314, GLU9854, GLU9894, GLU9964, GLY18355, HIS10214, HIS11735, HIS12065, HIS12425, HIS12605, HIS12675, HIS20195, HIS2524, HIS5464, HIS9214, HIS9644, LEU10294, LYS10364, LYS11635, LYS11855, LYS12725, LYS13945, LYS16865, LYS19425, LYS20225, LYS2774, LYS5164, LYS5434, LYS9434, PRO12465, PRO14095, SER10274, SER19765, SER2624, TYR11545, TYR20745, TYR4124, VAL14015 |
6-7 |
-35.6013 |
-114.6451 |
17 |
ARG1146, ARG2977, ARG9597, ASP2547, ASP2957, ASP2967, ASP9617, GLU1196, GLU1236, GLU1246, HIS1006, HIS2527, LYS9627, PHE1126, THR2987, VAL1166, VAL2577 |
6-8 |
-24.7201 |
-19.9389 |
13 |
ARG12638, ARG856, ASP11488, ASP1356, ASP14148, GLU1196, GLU1236, GLU12458, GLU1316, GLU846, HIS886, LEU14108, TYR896 |
7-8 |
-101.3065 |
-133.7482 |
81 |
ALA15268, ARG10037, ARG11748, ARG11788, ARG12498, ARG12638, ARG12718, ARG18288, ARG3337, ARG4807, ARG6507, ARG8837, ARG9367, ARG9597, ASN11718, ASN11938, ASN5267, ASP10317, ASP10337, ASP11488, ASP12148, ASP15188, ASP15658, ASP18308, ASP18328, ASP2967, ASP3287, ASP3307, ASP4067, ASP4657, ASP4667, ASP9347, CYS9357, GLN12388, GLN2747, GLN4677, GLU12188, GLU12458, GLU20238, GLU5097, GLU5197, GLU6067, GLU7877, GLU9317, GLU9857, GLU9897, GLU9967, GLY18338, GLY18358, HIS10217, HIS11738, HIS12068, HIS12428, HIS12608, HIS12678, HIS20198, HIS2527, HIS5467, HIS9217, HIS9647, LYS10367, LYS11638, LYS11858, LYS12728, LYS13948, LYS16868, LYS19428, LYS20228, LYS2777, LYS5167, LYS5437, LYS9437, PRO12468, SER12418, SER19768, THR12508, TYR11698, TYR20748, TYR3317, TYR4127, VAL14018 |
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