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-I
-14.2897
50.5784
-153.442
-117.1534
70
6
1
6378
1
29
36
View
A-J
-60.2871
-149.457
-430.909
-640.6531
123
21
6
15606
19
59
43
View
A-Q
-17.8216
46.5961
-170.108
-141.3335
70
5
1
6564
1
30
36
View
A-S
-15.2896
5.7481
-64.1248
-73.6663
36
3
0
2553
1
28
16
View
A-X
-12.9108
8.8276
10
ARG154X, ASP147X, ASP39A, ASP41A, ASP42A, GLU159X, GLU46A, LYS143X, LYS92A, VAL43A
a-i
-11.8229
46.6014
-148.911
-114.1325
71
7
1
6402
1
30
36
View
a-j
-90.2249
-182.004
-428.328
-700.5569
123
24
6
15135
23
59
45
View
a-q
-27.9343
41.7703
-165.082
-151.246
72
9
1
6545
1
29
36
View
a-s
-12.2695
6.6246
-70.0185
-75.6634
38
3
1
2721
2
30
17
View
a-x
-7.0856
15.0157
9
ARG154x, ASP147x, ASP39a, ASP41a, ASP42a, GLU46a, LYS143x, THR150x, VAL43a
B-J
-10.4391
49.0083
-149.541
-110.9718
70
9
1
6291
1
29
35
View
B-K
-55.6082
-153.7317
-418.517
-627.8569
122
15
5
15291
18
64
46
View
B-T
-29.0596
3.496
-98.2203
-123.784
50
4
1
4262
0
37
21
View
B-V
-9.15
6.9401
9
ASP147V, ASP39B, ASP41B, ASP42B, GLU159V, GLU46B, LYS143V, LYS92B, THR150V
B-X
-2.51
55.7163
10
ASP123X, ASP128B, ASP128X, ASP136B, GLN4X, GLU131B, GLU131X, HIS115B, HIS125X, LYS105B
b-j
-18.383
51.8822
-153.461
-119.9618
71
6
1
6510
1
29
36
View
b-k
-54.4827
-139.1349
-406.884
-600.5016
122
18
7
14928
16
57
43
View
b-S
0.0
0.0
-0.0154
-0.0154
4
0
0
5
0
2
1
View
b-t
-11.23
-0.6318
0.0
-11.8618
10
0
0
0
0
0
0
View
b-v
-7.0175
-2.7887
10
ASP147v, ASP39b, ASP41b, ASP42b, GLU159v, GLU164v, GLU46b, HIS148b, LYS143v, LYS92b
b-x
-13.2821
48.3951
12
ASP128b, ASP128x, ASP136b, GLN4x, GLU131b, GLU131x, GLY146b, HIS115b, HIS125x, LYS105b, LYS143b, LYS68x
C-K
-22.7109
44.9911
-169.389
-147.1088
69
8
1
6556
1
31
36
View
C-L
-58.8105
-152.4353
-436.575
-647.8209
124
21
6
15290
17
63
43
View
C-U
-10.4331
7.0782
8
ASP147C, ASP39U, ASP41U, ASP42U, GLU159C, GLU46U, LYS143C, LYS92U
C-V
-25.9797
39.6716
11
ARG6V, ASN108C, ASP128C, ASP128V, ASP136C, GLN7V, GLU131C, GLU131V, HIS115C, HIS125V, LYS105C
C-W
-14.936
11.3943
10
ARG154W, ASP147W, ASP39C, ASP41C, ASP42C, GLU159W, GLU46C, LYS143W, LYS92C, VAL43C
c-k
-21.9707
47.1291
-155.966
-130.8076
68
7
1
6424
1
29
35
View
c-l
-53.7119
-147.4149
-415.191
-616.3179
121
16
6
14905
18
58
43
View
c-Q
0.0
0.0
-0.0326
-0.0326
2
0
0
6
0
1
0
View
c-S
0.0
0.0
-1.2701
-1.2701
10
0
0
193
0
3
5
View
c-u
-9.801
6.3128
10
ARG154c, ASP147c, ASP39u, ASP41u, ASP42u, GLU159c, GLU46u, LYS143c, LYS92u, VAL43u
c-v
-19.0387
52.0369
12
ASP128c, ASP128v, ASP136c, GLN4v, GLN7v, GLU131c, GLU131v, HIS115c, HIS125v, LYS105c, LYS143c, LYS68v
c-w
-12.3105
5.8135
11
ARG154w, ASP147w, ASP39c, ASP41c, ASP42c, GLU159w, GLU46c, LYS143w, LYS92c, THR150w, VAL43c
D-I
-45.7871
-132.1994
-406.204
-584.1905
118
18
7
14681
14
58
44
View
D-L
-22.5051
40.1586
-165.599
-147.9455
72
5
1
6414
1
31
36
View
D-Q
-9.9027
4.4598
-90.7085
-96.1514
47
0
2
3710
0
38
21
View
D-R
-13.4069
-0.6097
-71.5144
-85.531
41
2
1
2705
2
29
16
View
D-W
-20.1149
39.0015
11
ASP128D, ASP128W, ASP136D, GLN4W, GLN7W, GLU131D, GLU131W, GLY146D, HIS115D, HIS125W, LYS105D
d-i
-53.8811
-140.9165
-404.431
-599.2285
122
20
6
15006
16
56
43
View
d-l
-7.2674
46.4323
-153.455
-114.29
69
6
1
6495
1
30
36
View
d-q
-27.3364
7.12
-65.6834
-85.8998
41
5
0
2562
0
28
16
View
d-r
-10.3946
-1.4122
-112.177
-123.9839
57
4
2
4693
2
37
22
View
d-w
-4.4146
44.1377
12
ASP123w, ASP128d, ASP128w, ASP136d, GLN4w, GLU131d, GLU131w, HIS115d, HIS125w, LYS105d, LYS143d, LYS68w
E-M
-20.3258
39.434
-166.991
-147.8828
70
7
1
6669
1
30
37
View
E-P
-59.7214
-147.0391
-413.456
-620.2166
121
23
5
15111
18
58
43
View
E-R
-9.8616
45.1247
-161.322
-126.0589
71
7
1
6491
1
31
36
View
E-U
-9.1462
-0.8227
8
ASP147U, ASP39E, ASP41E, ASP42E, GLU159U, GLU46E, LYS143U, LYS92E
E-W
-14.1268
-6.2989
12
ARG154E, ASP147E, ASP39W, ASP41W, ASP42W, GLU159E, GLU164E, GLU46W, HIS148W, LYS143E, LYS92W, VAL43W
e-m
-10.6579
43.9676
-158.119
-124.8094
72
4
1
6523
1
30
36
View
e-p
-56.0814
-132.7427
-395.311
-584.1351
121
24
6
14843
16
65
45
View
e-r
-16.281
52.057
-157.204
-121.4279
72
6
1
6354
1
31
36
View
e-u
-19.5677
0.0147
9
ASP147u, ASP39e, ASP41e, ASP42e, GLU159u, GLU46e, LYS143u, LYS92e, THR150u
e-w
-15.6223
9.6116
9
ASP147e, ASP39w, ASP41w, ASP42w, GLU159e, GLU46w, LYS143e, LYS92w, THR150e
F-M
-65.7207
-152.1523
-403.344
-621.217
122
20
6
15065
16
61
44
View
F-N
-13.7688
37.4705
-147.228
-123.5263
71
7
1
6290
1
29
35
View
F-Q
-5.6844
16.6081
-61.7386
-50.8149
29
1
0
2338
0
25
13
View
F-R
-2.7956
1.7962
-75.6241
-76.6235
45
1
0
3323
1
36
20
View
F-S
-29.4273
38.6802
-168.683
-159.4301
71
10
1
6746
1
31
36
View
f-m
-90.4777
-145.3676
-405.485
-641.3303
120
27
5
15121
17
66
45
View
f-n
-14.8151
39.7533
-157.019
-132.0808
69
6
1
6411
1
31
36
View
f-q
-5.2778
7.0378
-70.0526
-68.2926
35
5
1
2695
0
29
17
View
f-r
-23.3044
-1.75
-123.937
-148.9914
61
6
4
4791
1
37
21
View
f-s
-21.4882
41.8954
-165.837
-145.4298
73
6
1
6588
1
31
36
View
G-N
-60.7691
-105.3158
-431.354
-597.4389
120
24
6
15519
15
58
43
View
G-O
-16.2124
52.9927
-168.404
-131.6237
70
4
1
6701
1
31
36
View
G-S
-18.8417
3.8689
-68.3891
-83.362
38
8
1
2822
2
29
17
View
G-T
-11.3327
47.9496
-135.6
-98.9831
70
9
1
6349
1
27
36
View
G-X
-26.6042
6.9248
11
ARG154G, ASP147G, ASP39X, ASP41X, ASP42X, GLU159G, GLU46X, LYS143G, LYS92X, THR150G, VAL43X
g-n
-65.0858
-141.7635
-418.415
-625.2642
120
18
5
14956
18
58
43
View
g-o
-19.0087
44.1493
-144.242
-119.1013
72
8
1
6397
1
29
36
View
g-s
-12.094
7.4896
-62.5858
-67.1902
36
5
0
2524
0
29
16
View
g-t
-8.6114
42.9717
-74.1379
-39.7775
43
2
1
2812
0
3
5
View
g-x
-15.2065
13.3868
8
ARG154g, ASP147g, ASP39x, ASP41x, ASP42x, GLU46x, LYS143g, VAL43x
H-O
-107.1882
-171.6554
-439.573
-718.4167
127
30
6
15853
20
57
45
View
H-P
-24.9732
41.3139
-147.353
-131.0123
74
9
1
6534
1
31
35
View
H-T
-15.1143
4.3185
-67.977
-78.7728
34
3
0
2555
1
29
16
View
H-U
-27.9939
49.1446
14
ASN108H, ASP128H, ASP128U, ASP136H, GLN4U, GLN7U, GLU131H, GLU131U, GLY146H, HIS115H, HIS125U, LYS105H, LYS143H, LYS68U
H-V
-9.1427
7.3582
10
ARG154H, ASP147H, ASP39V, ASP41V, ASP42V, GLU159H, GLU46V, LYS143H, LYS92V, VAL43V
h-o
-64.5931
-149.9821
-390.677
-605.2522
123
27
6
14743
18
64
45
View
h-p
-5.8153
37.6968
-148.932
-117.0505
71
7
1
6405
1
30
36
View
h-t
-3.0505
8.2923
0.0
5.2419
10
0
0
0
0
0
0
View
h-u
-30.0955
46.2204
13
ASP128h, ASP128u, ASP136h, GLN4u, GLN7u, GLU131h, GLU131u, GLY146h, HIS115h, HIS125u, LYS105h, LYS143h, LYS68u
h-v
-17.8483
5.0792
10
ARG154h, ASP147h, ASP39v, ASP41v, ASP42v, GLU159h, GLU46v, LYS143h, LYS92v, VAL43v
I-J
-19.6279
17.5008
-63.763
-65.8901
31
3
0
2398
0
25
13
View
I-L
-18.829
16.8998
-57.9102
-59.8393
30
5
0
2205
0
25
13
View
I-Q
-19.5484
47.4188
-159.389
-131.5186
71
5
1
6427
1
29
35
View
i-j
-8.6488
4.486
-65.7909
-69.9537
34
1
0
2526
1
30
16
View
i-l
-24.6954
0.8844
-105.099
-128.91
55
9
1
4513
1
35
21
View
i-q
-13.5231
41.1421
-159.792
-132.1731
71
5
1
6542
1
30
36
View
J-K
-13.3674
15.276
-55.6562
-53.7476
29
5
0
2125
0
25
13
View
J-X
-33.6314
54.6419
11
ASP128J, ASP128X, ASP136X, GLN4J, GLN7J, GLU131J, GLU131X, HIS115X, HIS125J, LYS105X, THR150X
j-k
-6.9932
3.4011
-120.911
-124.5032
55
2
3
4872
1
36
21
View
j-x
-23.3332
45.0285
13
ARG6j, ASP123j, ASP128j, ASP128x, ASP136x, GLN4j, GLN7j, GLU131j, GLU131x, HIS115x, HIS125j, LYS105x, THR150x
K-L
-15.3922
17.0781
-63.5294
-61.8435
26
3
0
2269
0
25
13
View
K-V
-4.6591
44.1024
9
ASP128K, ASP128V, ASP136V, GLN4K, GLU131K, GLU131V, HIS115V, HIS125K, LYS105V
k-l
-18.43
-0.2258
-103.609
-122.2648
54
6
2
4433
1
35
21
View
k-Q
-3.5618
6.6071
-18.5991
-15.5537
18
0
0
960
2
9
8
View
k-S
-9.626
-30.0888
-15.5558
-55.2706
32
6
0
1044
3
8
7
View
k-v
-28.5551
55.7018
13
ARG6k, ASN108v, ASP128k, ASP128v, ASP136v, GLN4k, GLN7k, GLU131k, GLU131v, GLY146v, HIS115v, HIS125k, LYS105v
L-W
-27.1042
33.6912
12
ARG6L, ASN108W, ASP128L, ASP128W, ASP136W, GLN4L, GLN7L, GLU131L, GLU131W, HIS115W, HIS125L, LYS105W
l-w
-29.075
43.7932
13
ARG6l, ASN108w, ASP128l, ASP128w, ASP136w, GLN4l, GLN7l, GLU131l, GLU131w, HIS115w, HIS125l, ILE5l, LYS105w
M-N
-8.0684
1.4522
-113.543
-120.1592
54
2
1
4584
1
35
20
View
M-P
-29.8051
3.8817
-75.969
-101.8923
38
6
1
2927
1
29
17
View
M-R
-7.6747
42.8005
-162.018
-126.8922
70
10
1
6565
1
31
36
View
m-n
-16.2596
1.5006
-75.2671
-90.0261
39
2
0
2824
1
30
16
View
m-p
0.0
4.3288
-59.506
-55.1772
40
4
0
2756
2
30
16
View
m-r
-24.1683
44.5416
-166.638
-146.2647
77
10
1
6633
1
31
36
View
N-O
-6.0871
-3.7542
-117.682
-127.5233
56
7
2
4941
3
37
22
View
N-S
-25.9486
47.9324
-163.597
-141.6132
71
6
1
6442
1
31
35
View
n-o
-7.9755
4.3902
-72.167
-75.7523
38
1
0
2679
1
29
16
View
n-s
-15.3485
41.993
-162.107
-135.4626
71
3
1
6547
1
30
36
View
O-P
-17.0479
7.5436
-66.9529
-76.4573
33
4
0
2512
1
30
16
View
O-T
-29.3952
41.1515
-160.873
-149.1167
71
9
1
6577
1
30
36
View
o-p
-6.4503
5.3605
-64.9201
-66.0099
38
3
2
2725
1
29
16
View
o-t
-19.9427
40.3635
0.0
20.4208
14
0
0
0
0
0
0
View
P-U
-18.0129
47.6807
12
ASP128P, ASP128U, ASP136U, GLN4P, GLN7P, GLU131P, GLU131U, HIS115U, HIS125P, LYS105U, LYS143U, LYS68P
p-u
-45.1451
36.9342
13
ARG6p, ASP128p, ASP128u, ASP136u, GLN4p, GLN7p, GLU131p, GLU131u, GLY146u, HIS115u, HIS125p, LYS105u, THR150u
Q-S
-73.1212
-157.4341
-420.933
-651.4883
124
20
6
15070
19
60
43
View
q-s
-67.874
-141.8491
-430.534
-640.257
124
18
5
15564
21
63
45
View
R-W
-58.2105
-162.3375
36
ARG40R, ARG40W, ARG53R, ARG53W, ARG60R, ARG60W, ARG6R, ARG6W, ARG76R, ARG76W, ASN71R, ASN71W, ASP39R, ASP39W, ASP41R, ASP41W, ASP42R, ASP42W, ASP81R, ASP81W, GLU57R, GLU57W, GLU64R, GLU64W, GLU89R, GLU89W, ILE82R, ILE82W, LYS68R, LYS68W, LYS83R, LYS83W, LYS84R, LYS84W, PHE36R, PHE36W
r-w
-74.3174
-157.6203
40
3-5.3935523.056715SER, 4-3.9058383.246374GLN, ARG40r, ARG40w, ARG53r, ARG53w, ARG60r, ARG60w, ARG6r, ARG6w, ARG76r, ARG76w, ASN71-2.7266372.695737, ASP39r, ASP39w, ASP41r, ASP41w, ASP42-5.3752872.942122, ASP42r, ASP42w, ASP81-12.3947632.877719, ASP81r, ASP81w, GLU57r, GLU57w, GLU64r, GLU64w, GLU89r, GLU89w, ILE82-12.3986352.799245, ILE82-13.3060272.792092, LYS68-4.2543943.194398, LYS68r, LYS68w, LYS83r, LYS83w, LYS84r, LYS84w, PHE36-4.9730482.887792, TYR29-9.5892612.761022
T-X
-78.2865
-172.3665
40
ARG40T, ARG40X, ARG53T, ARG53X, ARG60T, ARG60X, ARG6T, ARG6X, ARG76T, ARG76X, ASN71T, ASN71X, ASP39T, ASP39X, ASP41T, ASP41X, ASP42T, ASP42X, ASP81T, ASP81X, GLN4T, GLN80X, GLU57T, GLU57X, GLU64T, GLU64X, GLU89T, GLU89X, ILE82T, ILE82X, LYS68T, LYS68X, LYS83T, LYS83X, LYS84T, LYS84X, PHE36T, PHE36X, SER3X, TYR29T
t-x
-38.4048
-169.5465
37
ARG40t, ARG40x, ARG53t, ARG53x, ARG60t, ARG60x, ARG6t, ARG6x, ARG76t, ARG76x, ASN71t, ASN71x, ASP39t, ASP39x, ASP41t, ASP41x, ASP42t, ASP42x, ASP81t, ASP81x, GLU57t, GLU57x, GLU64t, GLU64x, GLU89t, GLU89x, ILE82t, ILE82x, LYS68t, LYS68x, LYS83t, LYS83x, LYS84t, LYS84x, PHE36t, PHE36x, SER3t
U-V
-54.4068
-130.9534
38
ARG40U, ARG40V, ARG53U, ARG53V, ARG60U, ARG60V, ARG6U, ARG6V, ARG76U, ARG76V, ASN71U, ASN71V, ASP39U, ASP39V, ASP41U, ASP41V, ASP42U, ASP42V, ASP81U, ASP81V, GLN80U, GLU57U, GLU57V, GLU64U, GLU64V, GLU89U, GLU89V, ILE82U, ILE82V, LYS68U, LYS68V, LYS83U, LYS83V, LYS84U, LYS84V, PHE36U, PHE36V, TYR29V
u-v
-104.9557
-178.7075
39
ARG40u, ARG40v, ARG53u, ARG53v, ARG60u, ARG60v, ARG6u, ARG6v, ARG76u, ARG76v, ASN71u, ASN71v, ASP39u, ASP39v, ASP41u, ASP41v, ASP42u, ASP42v, ASP81u, ASP81v, GLN4u, GLN80v, GLU57u, GLU57v, GLU64u, GLU64v, GLU89u, GLU89v, ILE82u, ILE82v, LYS68u, LYS68v, LYS83u, LYS83v, LYS84u, LYS84v, PHE36u, PHE36v, TYR29u