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-G |
-72.914 |
-11.2401 |
-352.179 |
-436.3331 |
124 |
26 |
10 |
14052 |
2 |
21 |
25 |
|
A-L |
-48.4188 |
-35.0576 |
-360.655 |
-444.1314 |
130 |
18 |
9 |
14541 |
2 |
26 |
26 |
|
A-B |
-11.5487 |
-26.7419 |
-86.2693 |
-124.5598 |
48 |
1 |
4 |
3663 |
2 |
12 |
16 |
|
A-M |
-22.6572 |
-76.3618 |
-168.462 |
-267.4811 |
60 |
8 |
1 |
6208 |
8 |
14 |
21 |
|
A-4 |
0.0 |
0.0 |
-10.5443 |
-10.5443 |
15 |
1 |
0 |
548 |
0 |
3 |
4 |
|
A-5 |
-10.291 |
-38.5194 |
0.0 |
-48.8104 |
15 |
0 |
0 |
0 |
0 |
0 |
0 |
|
G-H |
-22.7994 |
-17.8419 |
-149.81 |
-190.4513 |
74 |
7 |
4 |
6970 |
1 |
15 |
12 |
|
G-M |
-52.886 |
-39.9192 |
-166.389 |
-259.1942 |
77 |
7 |
3 |
6358 |
4 |
16 |
17 |
|
G-N |
-3.3558 |
9.2184 |
-105.857 |
-99.9944 |
52 |
5 |
2 |
4661 |
1 |
16 |
22 |
|
G-5 |
0.0 |
-5.0544 |
0.0 |
-5.0544 |
9 |
0 |
0 |
0 |
0 |
0 |
0 |
|
G-6 |
0.0 |
-4.8708 |
2 |
GLU11956, LYS2177G |
H-I |
-45.6412 |
-6.7889 |
-282.871 |
-335.3011 |
115 |
25 |
4 |
11825 |
1 |
24 |
27 |
|
H-M |
0.0 |
15.9592 |
-7.7935 |
8.1657 |
11 |
0 |
0 |
266 |
0 |
5 |
4 |
|
H-N |
-11.3509 |
-3.8028 |
-108.647 |
-123.8007 |
50 |
1 |
1 |
4748 |
0 |
17 |
23 |
|
H-O |
-27.0828 |
-34.0774 |
-131.442 |
-192.6023 |
50 |
4 |
2 |
4903 |
4 |
22 |
24 |
|
H-6 |
0.0 |
9.1141 |
9 |
ASP13836, ASP3179H, ASP3202H, ASP3209H, GLU13756, GLU14976, HIS14956, LYS14946, LYS3199H |
I-J |
-15.509 |
-27.3998 |
-165.159 |
-208.0679 |
78 |
17 |
4 |
7478 |
3 |
17 |
14 |
|
I-O |
-9.3482 |
-11.8425 |
-85.5877 |
-106.7784 |
44 |
3 |
3 |
3968 |
1 |
16 |
13 |
|
I-P |
-20.0398 |
-77.1155 |
-76.8172 |
-173.9725 |
48 |
1 |
1 |
3480 |
7 |
41 |
28 |
|
I-6 |
-14.7907 |
-7.3654 |
25 |
ARG4049I, ARG4166I, ASP16666, ASP16676, ASP17156, ASP17956, GLN17606, GLN4204I, GLU16236, GLU17116, GLU17186, GLU17536, GLU4173I, GLU4176I, GLU4201I, GLU4237I, HIS17146, HIS17596, LYS16686, LYS18736, LYS4053I, LYS4169I, LYS4177I, LYS4208I, LYS4240I |
J-K |
-38.3074 |
-48.181 |
-279.985 |
-366.4735 |
125 |
16 |
8 |
11765 |
3 |
38 |
30 |
|
J-P |
-23.8577 |
-37.6851 |
-91.1388 |
-152.6816 |
49 |
5 |
1 |
4152 |
6 |
28 |
28 |
|
J-Q |
0.0 |
-32.6802 |
-143.498 |
-176.1782 |
54 |
1 |
0 |
4711 |
4 |
30 |
26 |
|
J-5 |
-7.6253 |
-13.3189 |
0.0 |
-20.9441 |
4 |
0 |
0 |
0 |
0 |
0 |
0 |
|
J-6 |
-13.148 |
38.7158 |
25 |
ARG21396, ARG5005J, ARG5020J, ARG5053J, ASP19196, ASP21166, ASP5009J, ASP5213J, GLU20056, GLU5007J, GLU5018J, GLU5025J, GLU5051J, GLU5159J, GLU5177J, GLU5209J, GLU5210J, HIS19176, LYS19186, LYS21116, LYS21126, LYS5211J, SER21086, TYR20746, TYR21416 |
K-L |
-40.2199 |
-31.0286 |
-372.795 |
-444.0435 |
133 |
13 |
11 |
14776 |
1 |
31 |
33 |
|
K-Q |
-16.2907 |
-29.1504 |
-81.4089 |
-126.85 |
41 |
8 |
0 |
3345 |
4 |
13 |
17 |
|
K-R |
-11.2498 |
-35.8152 |
-139.982 |
-187.047 |
57 |
0 |
3 |
5271 |
2 |
29 |
12 |
|
K-5 |
-23.9199 |
26.3714 |
0.0 |
2.4516 |
9 |
0 |
0 |
0 |
0 |
0 |
0 |
|
K-6 |
-79.8459 |
-86.6142 |
25 |
ALA21436, ALA6078K, ARG20486, ARG20946, ARG6003K, ARG6164K, ARG6202K, ASP21166, ASP21326, ASP6203K, GLN20496, GLN6031K, GLU20476, GLU21316, GLU21346, GLU6027K, GLU6055K, GLU6204K, GLY6076K, LYS20536, LYS21116, LYS6030K, LYS6062K, PHE6002K, TYR21416 |
L-B |
-16.1345 |
-9.7643 |
-106.191 |
-132.0899 |
50 |
3 |
4 |
4611 |
0 |
15 |
10 |
|
L-R |
-21.0996 |
-79.2431 |
-107.108 |
-207.4507 |
57 |
4 |
2 |
4482 |
6 |
33 |
22 |
|
L-5 |
-10.1463 |
12.1407 |
0.0 |
1.9944 |
7 |
0 |
0 |
0 |
0 |
0 |
0 |
|
B-M |
-36.1727 |
-49.9699 |
-87.8429 |
-173.9856 |
65 |
5 |
3 |
3924 |
3 |
15 |
5 |
|
B-R |
-28.0183 |
-24.3197 |
-161.592 |
-213.93 |
70 |
13 |
1 |
6874 |
5 |
22 |
18 |
|
B-D |
-13.8592 |
-18.6903 |
-190.979 |
-223.5284 |
55 |
6 |
3 |
6898 |
4 |
12 |
11 |
|
B-4 |
-72.6059 |
3.3808 |
-329.076 |
-398.3011 |
113 |
21 |
9 |
13706 |
3 |
28 |
31 |
|
M-N |
-95.8508 |
-127.3655 |
-357.991 |
-581.2073 |
144 |
14 |
14 |
15297 |
8 |
44 |
35 |
|
M-2 |
0.0 |
0.0 |
-9.3525 |
-9.3525 |
7 |
0 |
1 |
492 |
0 |
0 |
0 |
|
M-3 |
-79.63 |
-67.2165 |
-324.718 |
-471.5645 |
118 |
44 |
6 |
14491 |
4 |
34 |
39 |
|
M-4 |
-17.7826 |
-38.0138 |
-184.259 |
-240.0554 |
91 |
12 |
5 |
9191 |
1 |
21 |
21 |
|
N-O |
-29.1152 |
-58.3675 |
-119.082 |
-206.5647 |
75 |
13 |
4 |
6001 |
3 |
13 |
11 |
|
N-2 |
-34.2832 |
-56.8969 |
-244.256 |
-335.436 |
90 |
10 |
4 |
9610 |
3 |
21 |
20 |
|
N-3 |
-47.0968 |
-25.9586 |
-185.999 |
-259.0544 |
77 |
14 |
1 |
7732 |
4 |
19 |
21 |
|
O-P |
-11.0368 |
-57.4158 |
-147.374 |
-215.8266 |
66 |
8 |
4 |
6416 |
5 |
21 |
22 |
|
O-1 |
-46.5339 |
-37.8487 |
-163.108 |
-247.4906 |
54 |
8 |
2 |
6675 |
2 |
21 |
31 |
|
O-2 |
-38.5517 |
-46.4636 |
-201.678 |
-286.6933 |
75 |
15 |
2 |
7996 |
5 |
20 |
17 |
|
P-Q |
-44.6692 |
-40.2824 |
-191.608 |
-276.5595 |
88 |
10 |
4 |
6708 |
3 |
25 |
18 |
|
P-Y |
0.0 |
0.0 |
-9.4568 |
-9.4568 |
7 |
0 |
1 |
497 |
0 |
0 |
0 |
|
P-Z |
-34.2316 |
-57.7123 |
-250.893 |
-342.837 |
91 |
10 |
4 |
9818 |
3 |
21 |
20 |
|
P-1 |
-38.4481 |
-43.1457 |
-203.172 |
-284.7658 |
76 |
17 |
2 |
8036 |
3 |
20 |
17 |
|
Q-R |
-31.2936 |
-90.7597 |
-244.904 |
-366.9573 |
97 |
14 |
6 |
10066 |
10 |
29 |
23 |
|
Q-Y |
-84.4822 |
-67.2595 |
-341.902 |
-493.6437 |
119 |
45 |
6 |
14691 |
4 |
34 |
39 |
|
Q-Z |
-48.176 |
-25.2616 |
-192.322 |
-265.7596 |
77 |
14 |
1 |
7851 |
4 |
19 |
21 |
|
R-C |
0.0 |
0.0 |
-11.0757 |
-11.0757 |
15 |
1 |
0 |
564 |
0 |
3 |
4 |
|
R-D |
-74.9917 |
3.4037 |
-340.985 |
-412.573 |
115 |
21 |
9 |
13870 |
4 |
29 |
31 |
|
R-Y |
-17.8692 |
-37.8502 |
-198.64 |
-254.3594 |
91 |
12 |
5 |
9223 |
1 |
21 |
21 |
|
C-S |
-70.1633 |
-11.425 |
-352.988 |
-434.5763 |
123 |
26 |
10 |
14044 |
2 |
21 |
25 |
|
C-X |
-48.7703 |
-34.3646 |
-376.744 |
-459.8789 |
130 |
15 |
9 |
14516 |
2 |
26 |
26 |
|
C-D |
-10.0049 |
-26.3735 |
-86.5069 |
-122.8853 |
48 |
1 |
4 |
3659 |
2 |
12 |
16 |
|
C-Y |
-17.5571 |
-77.7785 |
-158.859 |
-254.1946 |
60 |
13 |
2 |
6333 |
9 |
14 |
22 |
|
C-7 |
-5.4309 |
-60.7383 |
15 |
ARG1014C, ARG1024C, ARG8677, ASP7677, ASP7697, ASP8097, GLU1029C, GLU1177C, GLU1183C, GLU8137, LYS1033C, LYS1174C, LYS8127, LYS8147, LYS8707 |
S-T |
-20.587 |
-17.7514 |
-150.234 |
-188.5724 |
75 |
5 |
4 |
6963 |
1 |
15 |
12 |
|
S-Y |
-50.3609 |
-39.9186 |
-167.557 |
-257.8366 |
78 |
12 |
3 |
6396 |
4 |
16 |
17 |
|
S-Z |
0.0 |
9.4462 |
-110.093 |
-100.6468 |
54 |
3 |
2 |
4765 |
1 |
16 |
22 |
|
S-7 |
-2.6637 |
-5.4608 |
9 |
ARG10037, ARG8597, GLU10077, GLU2201S, GLU2203S, GLU8637, HIS10047, LYS2050S, LYS2197S |
S-8 |
0.0 |
-5.5191 |
2 |
GLU11958, LYS2177S |
T-U |
-43.5238 |
-7.454 |
-285.343 |
-336.3208 |
116 |
22 |
4 |
11867 |
1 |
24 |
27 |
|
T-Y |
0.0 |
16.0215 |
-7.9981 |
8.0234 |
11 |
0 |
0 |
274 |
0 |
5 |
4 |
|
T-Z |
-11.2601 |
-3.7952 |
-111.176 |
-126.2313 |
50 |
4 |
1 |
4839 |
0 |
17 |
22 |
|
T-1 |
-23.8484 |
-34.8227 |
-132.516 |
-191.1871 |
52 |
6 |
2 |
4995 |
4 |
22 |
24 |
|
T-8 |
0.0 |
8.5191 |
9 |
ASP13838, ASP3179T, ASP3202T, ASP3209T, GLU13758, GLU14978, HIS14958, LYS14948, LYS3199T |
U-V |
-29.2187 |
-27.8846 |
-165.307 |
-222.4103 |
79 |
17 |
4 |
7504 |
3 |
17 |
14 |
|
U-1 |
-3.9009 |
-11.7865 |
-83.5301 |
-99.2175 |
45 |
2 |
2 |
3940 |
1 |
16 |
13 |
|
U-2 |
-15.9444 |
-77.189 |
-80.0583 |
-173.1917 |
48 |
1 |
1 |
3523 |
8 |
41 |
28 |
|
U-8 |
-23.5314 |
-25.0781 |
26 |
ARG17988, ARG4049U, ARG4166U, ASP16668, ASP16678, ASP17158, ASP17958, GLN17608, GLN4204U, GLU16238, GLU17118, GLU17188, GLU17538, GLU4173U, GLU4176U, GLU4201U, GLU4237U, HIS17148, HIS17598, LYS16688, LYS18738, LYS4053U, LYS4169U, LYS4177U, LYS4208U, LYS4240U |
V-W |
-39.5228 |
-48.8948 |
-280.347 |
-368.7646 |
125 |
15 |
8 |
11753 |
3 |
38 |
30 |
|
V-2 |
-8.5018 |
-37.5343 |
-87.8267 |
-133.8628 |
49 |
5 |
1 |
4053 |
6 |
27 |
28 |
|
V-3 |
0.0 |
-33.1525 |
-142.701 |
-175.8535 |
54 |
1 |
0 |
4753 |
4 |
31 |
26 |
|
V-7 |
0.0 |
-11.3095 |
4 |
ARG5005V, GLU5007V, HIS5237, LYS5897 |
V-8 |
-10.4803 |
36.7187 |
24 |
ARG21398, ARG5005V, ARG5020V, ARG5053V, ASP19198, ASP21168, ASP5009V, ASP5213V, GLU20058, GLU5007V, GLU5018V, GLU5025V, GLU5051V, GLU5159V, GLU5177V, GLU5209V, GLU5210V, HIS19178, LYS19188, LYS21118, LYS21128, LYS5211V, SER21088, TYR20748 |
W-X |
-52.5163 |
-31.8619 |
-378.476 |
-462.8542 |
131 |
13 |
11 |
14817 |
1 |
31 |
33 |
|
W-3 |
-17.0393 |
-28.0406 |
-78.4727 |
-123.5526 |
40 |
4 |
0 |
3263 |
2 |
13 |
17 |
|
W-4 |
-11.0114 |
-36.156 |
-143.283 |
-190.4504 |
57 |
1 |
3 |
5374 |
2 |
29 |
12 |
|
W-7 |
-24.8113 |
30.4027 |
9 |
ARG6003W, ARG6357, ARG6377, ASN6005W, GLN5877, HIS6367, LYS5897, MET6001W, SER6347 |
W-8 |
-73.9652 |
-81.0259 |
25 |
ALA21438, ALA6078W, ARG20488, ARG20948, ARG6003W, ARG6164W, ARG6202W, ASP21168, ASP21328, ASP6203W, GLN20498, GLN6031W, GLU20478, GLU21318, GLU21348, GLU6027W, GLU6055W, GLU6204W, GLY6076W, LYS20538, LYS21118, LYS6030W, LYS6062W, PHE6002W, TYR21418 |
X-D |
-24.2684 |
-9.857 |
-108.475 |
-142.6004 |
50 |
3 |
4 |
4668 |
0 |
15 |
10 |
|
X-4 |
-22.1751 |
-37.4964 |
-103.227 |
-162.8985 |
57 |
5 |
2 |
4360 |
6 |
33 |
22 |
|
X-7 |
-11.1023 |
9.769 |
6 |
ASN6767, ASP6777, ASP7008X, ASP7017X, GLU8137, SER7015X |
D-Y |
-50.3172 |
-48.5331 |
-90.1924 |
-189.0427 |
65 |
6 |
3 |
3936 |
3 |
15 |
5 |
|
D-4 |
-27.7027 |
-24.5332 |
-159.632 |
-211.8679 |
69 |
13 |
1 |
6870 |
6 |
22 |
18 |
|
Y-Z |
-93.5049 |
-127.7238 |
-358.549 |
-579.7777 |
144 |
13 |
13 |
15371 |
8 |
44 |
35 |
|
Z-1 |
-29.8816 |
-58.9284 |
-119.908 |
-208.718 |
74 |
11 |
4 |
6030 |
3 |
12 |
11 |
|
1-2 |
-13.881 |
-57.2261 |
-147.31 |
-218.4171 |
66 |
11 |
4 |
6426 |
5 |
21 |
22 |
|
2-3 |
-44.5747 |
-40.6073 |
-187.766 |
-272.948 |
88 |
9 |
4 |
6683 |
3 |
25 |
18 |
|
3-4 |
-24.912 |
-90.0233 |
-256.002 |
-370.9373 |
97 |
12 |
6 |
10249 |
11 |
28 |
24 |
|
E-5 |
-34.7333 |
-116.9282 |
-241.157 |
-392.8185 |
94 |
15 |
9 |
10686 |
2 |
20 |
24 |
|
E-6 |
-13.9303 |
-19.6232 |
11 |
ARG12636, ARG85E, ASP11486, ASP135E, ASP14146, GLU119E, GLU123E, GLU12456, GLU131E, GLU84E, HIS88E |
5-6 |
-87.7391 |
-131.7482 |
74 |
ALA15266, ARG10035, ARG11746, ARG11786, ARG12496, ARG12636, ARG12716, ARG18286, ARG3335, ARG4805, ARG6505, ARG8835, ARG9365, ARG9595, ASN11716, ASN11936, ASN5265, ASP10315, ASP10335, ASP11486, ASP12146, ASP15186, ASP15656, ASP18306, ASP18326, ASP2965, ASP3285, ASP3305, ASP4065, ASP4655, ASP4665, ASP9345, GLN2745, GLU12186, GLU12456, GLU20236, GLU5095, GLU5195, GLU6065, GLU7875, GLU9315, GLU9855, GLU9895, GLU9965, GLY18356, HIS10215, HIS11736, HIS12066, HIS12426, HIS12606, HIS12676, HIS20196, HIS2525, HIS5465, HIS9215, HIS9645, LYS10365, LYS11636, LYS11856, LYS12726, LYS13946, LYS16866, LYS19426, LYS20226, LYS2775, LYS5165, LYS5435, LYS9435, PRO12466, SER19766, TYR11696, TYR20746, TYR4125, VAL14016 |
F-7 |
-34.7154 |
-115.2725 |
16 |
ARG114F, ARG2977, ARG9597, ASP2547, ASP2957, ASP2967, GLU119F, GLU123F, GLU124F, HIS100F, HIS2527, LYS9627, PHE112F, THR2987, VAL116F, VAL2577 |
F-8 |
-13.8698 |
-20.3874 |
11 |
ARG12638, ARG85F, ASP11488, ASP135F, ASP14148, GLU119F, GLU123F, GLU12458, GLU131F, GLU84F, HIS88F |
7-8 |
-85.2362 |
-132.5712 |
76 |
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, 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, SER19768, TYR20748, TYR4127, VAL14018 |
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