## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
L |
117 |
33 |
7850 |
◊ |
K |
x,y,z |
1_555 |
113 |
32 |
7748 |
1131.0 |
-18.2 |
0.044 |
12 |
6 |
0 |
0.543 |
2 |
|
J |
107 |
31 |
8041 |
◊ |
I |
x,y,z |
1_555 |
116 |
34 |
7725 |
1089.0 |
-18.9 |
0.022 |
11 |
3 |
0 |
0.543 |
3 |
|
H |
108 |
31 |
8544 |
◊ |
G |
x,y,z |
1_555 |
107 |
31 |
7702 |
1071.5 |
-21.3 |
0.010 |
9 |
4 |
0 |
0.543 |
4 |
|
N |
109 |
31 |
7725 |
◊ |
M |
x,y,z |
1_555 |
114 |
32 |
8117 |
1069.5 |
-19.7 |
0.018 |
11 |
2 |
0 |
0.543 |
5 |
|
B |
104 |
31 |
7706 |
◊ |
A |
x,y,z |
1_555 |
107 |
32 |
8464 |
1062.8 |
-21.0 |
0.011 |
10 |
3 |
0 |
0.543 |
6 |
|
F |
106 |
31 |
8217 |
◊ |
E |
x,y,z |
1_555 |
106 |
32 |
8587 |
1060.4 |
-19.9 |
0.025 |
8 |
3 |
0 |
0.543 |
7 |
|
D |
105 |
31 |
8042 |
◊ |
C |
x,y,z |
1_555 |
105 |
31 |
8219 |
1052.2 |
-19.7 |
0.016 |
9 |
3 |
0 |
0.543 |
Average: |
1076.6 |
-19.8 |
0.021 |
10 |
3 |
0 |
0.543 |
2 |
8 |
|
M |
63 |
17 |
8117 |
◊ |
K |
x,y,z |
1_555 |
57 |
15 |
7748 |
548.8 |
-7.1 |
0.236 |
5 |
2 |
0 |
0.267 |
9 |
|
H |
52 |
15 |
8544 |
◊ |
F |
x,y,z |
1_555 |
59 |
15 |
8217 |
545.7 |
-7.7 |
0.202 |
5 |
3 |
0 |
0.267 |
10 |
|
E |
60 |
16 |
8587 |
◊ |
C |
x,y,z |
1_555 |
54 |
14 |
8219 |
544.4 |
-7.8 |
0.209 |
5 |
2 |
0 |
0.267 |
11 |
|
N |
54 |
14 |
7725 |
◊ |
L |
x,y,z |
1_555 |
58 |
17 |
7850 |
538.2 |
-6.9 |
0.221 |
3 |
2 |
0 |
0.267 |
12 |
|
C |
61 |
17 |
8219 |
◊ |
A |
x,y,z |
1_555 |
52 |
13 |
8464 |
536.4 |
-7.3 |
0.208 |
5 |
3 |
0 |
0.267 |
13 |
|
G |
57 |
14 |
7702 |
◊ |
E |
x,y,z |
1_555 |
54 |
15 |
8587 |
534.5 |
-7.4 |
0.213 |
5 |
2 |
0 |
0.267 |
14 |
|
J |
56 |
15 |
8041 |
◊ |
H |
x,y,z |
1_555 |
58 |
16 |
8544 |
533.6 |
-7.8 |
0.191 |
4 |
1 |
0 |
0.267 |
15 |
|
D |
53 |
14 |
8042 |
◊ |
B |
x,y,z |
1_555 |
60 |
17 |
7706 |
527.0 |
-6.8 |
0.230 |
5 |
2 |
0 |
0.267 |
16 |
|
F |
54 |
14 |
8217 |
◊ |
D |
x,y,z |
1_555 |
63 |
17 |
8042 |
524.7 |
-7.4 |
0.219 |
4 |
3 |
0 |
0.267 |
17 |
|
M |
51 |
13 |
8117 |
◊ |
A |
x,y,z |
1_555 |
57 |
16 |
8464 |
522.9 |
-7.6 |
0.178 |
4 |
1 |
0 |
0.267 |
18 |
|
K |
52 |
15 |
7748 |
◊ |
I |
x,y,z |
1_555 |
56 |
15 |
7725 |
520.3 |
-6.4 |
0.236 |
6 |
2 |
0 |
0.267 |
19 |
|
N |
56 |
15 |
7725 |
◊ |
B |
x,y,z |
1_555 |
53 |
14 |
7706 |
515.6 |
-6.9 |
0.202 |
5 |
1 |
0 |
0.267 |
20 |
|
L |
51 |
13 |
7850 |
◊ |
J |
x,y,z |
1_555 |
54 |
16 |
8041 |
507.3 |
-7.7 |
0.146 |
3 |
2 |
0 |
0.267 |
Average: |
530.7 |
-7.3 |
0.207 |
5 |
2 |
0 |
0.267 |
3 |
21 |
|
A |
54 |
15 |
8464 |
◊ |
H |
x,y-1,z |
1_545 |
56 |
15 |
8544 |
513.1 |
-4.4 |
0.460 |
5 |
2 |
0 |
0.000 |
4 |
22 |
|
I |
58 |
16 |
7725 |
◊ |
G |
x,y,z |
1_555 |
51 |
13 |
7702 |
512.9 |
-7.4 |
0.169 |
5 |
1 |
0 |
0.021 |
5 |
23 |
|
F |
50 |
15 |
8217 |
◊ |
M |
x-1/2,y+1/2,z |
3_455 |
62 |
16 |
8117 |
453.8 |
-0.2 |
0.680 |
4 |
0 |
0 |
0.000 |
6 |
24 |
|
N |
49 |
15 |
7725 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
47 |
14 |
8041 |
372.0 |
1.5 |
0.838 |
8 |
5 |
0 |
0.000 |
7 |
25 |
|
D |
45 |
13 |
8042 |
◊ |
I |
x-1/2,y-1/2,z |
3_445 |
48 |
14 |
7725 |
359.5 |
0.2 |
0.761 |
6 |
5 |
0 |
0.000 |
8 |
26 |
|
C |
43 |
9 |
8219 |
◊ |
C |
-x,y,-z |
2_555 |
44 |
9 |
8219 |
346.7 |
-3.0 |
0.462 |
4 |
0 |
0 |
0.000 |
9 |
27 |
|
C |
27 |
9 |
8219 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
28 |
11 |
8587 |
251.5 |
3.0 |
0.843 |
1 |
5 |
0 |
0.000 |
10 |
28 |
|
A |
24 |
7 |
8464 |
◊ |
G |
x,y-1,z |
1_545 |
28 |
11 |
7702 |
209.4 |
1.5 |
0.832 |
4 |
6 |
0 |
0.000 |
29 |
|
B |
26 |
10 |
7706 |
◊ |
H |
x,y-1,z |
1_545 |
16 |
6 |
8544 |
184.2 |
1.8 |
0.859 |
3 |
5 |
0 |
0.000 |
Average: |
196.8 |
1.6 |
0.846 |
4 |
6 |
0 |
0.000 |
11 |
30 |
|
[TBR]A:2000 |
13 |
1 |
544 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
8464 |
193.4 |
-1.4 |
0.617 |
0 |
0 |
0 |
0.000 |
12 |
31 |
|
[TBR]A:2000 |
12 |
1 |
544 |
f |
H |
x,y-1,z |
1_545 |
27 |
9 |
8544 |
191.8 |
-1.5 |
0.558 |
0 |
0 |
0 |
0.028 |
13 |
32 |
|
E |
19 |
5 |
8587 |
◊ |
E |
-x,y,-z |
2_555 |
19 |
5 |
8587 |
169.6 |
-1.7 |
0.490 |
3 |
0 |
0 |
0.000 |
14 |
33 |
|
L |
20 |
6 |
7850 |
◊ |
K |
-x+1,y,-z+1 |
2_656 |
20 |
6 |
7748 |
152.9 |
-0.4 |
0.621 |
0 |
0 |
0 |
0.000 |
15 |
34 |
|
C |
18 |
4 |
8219 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
15 |
5 |
8217 |
136.6 |
2.0 |
0.865 |
0 |
0 |
0 |
0.000 |
16 |
35 |
|
E |
14 |
5 |
8587 |
◊ |
D |
x,y,z |
1_555 |
12 |
3 |
8042 |
113.7 |
-0.4 |
0.530 |
0 |
0 |
0 |
0.000 |
36 |
|
M |
7 |
2 |
8117 |
◊ |
L |
x,y,z |
1_555 |
7 |
2 |
7850 |
55.0 |
0.1 |
0.671 |
0 |
0 |
0 |
0.000 |
37 |
|
C |
7 |
2 |
8219 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7706 |
49.8 |
0.2 |
0.683 |
0 |
0 |
0 |
0.000 |
38 |
|
G |
8 |
2 |
7702 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
8217 |
49.4 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
39 |
|
K |
7 |
2 |
7748 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
8041 |
47.9 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
40 |
|
N |
5 |
1 |
7725 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
8464 |
36.2 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
41 |
|
I |
4 |
1 |
7725 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
8544 |
25.4 |
-0.1 |
0.595 |
0 |
0 |
0 |
0.000 |
Average: |
53.9 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
17 |
42 |
|
N |
10 |
4 |
7725 |
◊ |
I |
x,y-1,z |
1_545 |
10 |
3 |
7725 |
103.7 |
0.8 |
0.777 |
2 |
2 |
0 |
0.000 |
18 |
43 |
|
[DTT]A:1475 |
7 |
1 |
282 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
8464 |
101.8 |
0.6 |
0.760 |
5 |
0 |
0 |
0.000 |
19 |
44 |
|
[DTT]A:1475 |
8 |
1 |
282 |
f |
G |
x,y-1,z |
1_545 |
16 |
5 |
7702 |
101.2 |
-1.1 |
0.631 |
2 |
0 |
0 |
0.037 |
20 |
45 |
|
L |
9 |
3 |
7850 |
◊ |
L |
-x+1,y,-z+1 |
2_656 |
9 |
3 |
7850 |
84.9 |
0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
46 |
|
K |
5 |
3 |
7748 |
◊ |
K |
-x+1,y,-z+1 |
2_656 |
5 |
3 |
7748 |
59.8 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
72.3 |
0.0 |
0.648 |
0 |
0 |
0 |
0.000 |
21 |
47 |
|
[CL]F:1475 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
8217 |
77.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.494 |
48 |
|
[CL]L:1475 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
18 |
11 |
7850 |
76.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.494 |
49 |
|
[CL]B:1475 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
7706 |
74.5 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.494 |
50 |
|
[CL]I:1475 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
14 |
9 |
7725 |
74.2 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.494 |
51 |
|
[CL]J:1475 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
14 |
9 |
8041 |
74.2 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.494 |
52 |
|
[CL]G:1475 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
17 |
10 |
7702 |
74.0 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.494 |
53 |
|
[CL]K:1475 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
12 |
8 |
7748 |
73.5 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.494 |
54 |
|
[CL]E:1475 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
9 |
8587 |
73.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.494 |
55 |
|
[CL]A:1476 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
8464 |
72.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.494 |
56 |
|
[CL]C:1475 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
9 |
8219 |
72.3 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.494 |
57 |
|
[CL]M:1475 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
13 |
8 |
8117 |
71.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.494 |
58 |
|
[CL]D:1475 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
8042 |
70.6 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.494 |
59 |
|
[CL]N:1475 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
12 |
8 |
7725 |
69.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.494 |
60 |
|
[CL]H:1475 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
8 |
8544 |
69.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.494 |
Average: |
73.1 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.494 |
22 |
61 |
|
G |
7 |
4 |
7702 |
◊ |
E |
-x,y,-z |
2_555 |
7 |
2 |
8587 |
74.4 |
-0.9 |
0.383 |
0 |
0 |
0 |
0.000 |
23 |
62 |
|
[TBR]A:2000 |
4 |
1 |
544 |
◊ |
[DTT]A:1475 |
x,y,z |
1_555 |
5 |
1 |
282 |
58.0 |
0.8 |
0.786 |
0 |
0 |
0 |
0.000 |
24 |
63 |
|
H |
8 |
3 |
8544 |
◊ |
K |
x-1/2,y+1/2,z |
3_455 |
6 |
2 |
7748 |
54.4 |
-0.5 |
0.498 |
0 |
0 |
0 |
0.000 |
25 |
64 |
|
H |
5 |
2 |
8544 |
◊ |
M |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
8117 |
47.3 |
1.0 |
0.795 |
0 |
0 |
0 |
0.000 |
26 |
65 |
|
J |
4 |
1 |
8041 |
◊ |
J |
-x+1,y,-z+1 |
2_656 |
4 |
1 |
8041 |
44.5 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
27 |
66 |
|
L |
3 |
1 |
7850 |
◊ |
J |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
8041 |
41.3 |
0.3 |
0.630 |
1 |
0 |
0 |
0.000 |
28 |
67 |
|
[TBR]A:2000 |
4 |
1 |
544 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
7706 |
33.5 |
0.2 |
0.780 |
0 |
0 |
0 |
0.000 |
29 |
68 |
|
B |
4 |
2 |
7706 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
2 |
7702 |
33.0 |
0.7 |
0.820 |
0 |
0 |
0 |
0.000 |
30 |
69 |
|
[TBR]A:2000 |
5 |
1 |
544 |
◊ |
G |
x,y-1,z |
1_545 |
4 |
3 |
7702 |
32.1 |
-0.5 |
0.406 |
0 |
0 |
0 |
0.008 |
31 |
70 |
|
D |
4 |
2 |
8042 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
4 |
1 |
8217 |
29.2 |
-0.8 |
0.300 |
0 |
0 |
0 |
0.000 |
32 |
71 |
|
N |
7 |
4 |
7725 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
2 |
8544 |
25.2 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.000 |
33 |
72 |
|
F |
2 |
2 |
8217 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8219 |
22.3 |
0.7 |
0.880 |
0 |
0 |
0 |
0.000 |
73 |
|
L |
2 |
2 |
7850 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
7725 |
19.4 |
0.6 |
0.865 |
0 |
0 |
0 |
0.000 |
74 |
|
D |
2 |
2 |
8042 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8464 |
17.1 |
0.5 |
0.849 |
0 |
0 |
0 |
0.000 |
75 |
|
M |
2 |
2 |
8117 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
7706 |
13.7 |
0.4 |
0.826 |
0 |
0 |
0 |
0.000 |
76 |
|
N |
2 |
2 |
7725 |
◊ |
K |
x,y,z |
1_555 |
2 |
2 |
7748 |
13.2 |
0.4 |
0.818 |
0 |
0 |
0 |
0.000 |
77 |
|
J |
2 |
2 |
8041 |
◊ |
G |
x,y,z |
1_555 |
2 |
2 |
7702 |
11.0 |
0.4 |
0.799 |
0 |
0 |
0 |
0.000 |
78 |
|
H |
2 |
2 |
8544 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
8587 |
10.2 |
0.3 |
0.792 |
0 |
0 |
0 |
0.000 |
Average: |
15.3 |
0.5 |
0.833 |
0 |
0 |
0 |
0.000 |
34 |
79 |
|
D |
2 |
1 |
8042 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
3 |
1 |
8587 |
13.2 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
35 |
80 |
|
[DTT]A:1475 |
1 |
1 |
282 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
8544 |
4.7 |
0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
36 |
81 |
|
B |
1 |
1 |
7706 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
2 |
2 |
8587 |
2.4 |
-0.0 |
0.656 |
0 |
0 |
0 |
0.000 |
|