## |
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 |
|
J |
658 |
146 |
32424 |
◊ |
I |
x,y,z |
1_555 |
663 |
146 |
32303 |
6433.5 |
-83.1 |
0.985 |
352 |
0 |
0 |
0.889 |
2 |
2 |
|
F |
241 |
57 |
7586 |
◊ |
E |
x,y,z |
1_555 |
266 |
60 |
8793 |
2537.0 |
-41.9 |
0.064 |
21 |
4 |
0 |
0.838 |
3 |
|
B |
229 |
51 |
6478 |
◊ |
A |
x,y,z |
1_555 |
252 |
58 |
8519 |
2420.2 |
-41.7 |
0.069 |
22 |
4 |
0 |
0.838 |
Average: |
2478.6 |
-41.8 |
0.066 |
22 |
4 |
0 |
0.838 |
3 |
4 |
|
D |
253 |
61 |
7745 |
◊ |
C |
x,y,z |
1_555 |
249 |
62 |
8651 |
2478.2 |
-46.2 |
0.025 |
19 |
5 |
0 |
0.831 |
5 |
|
H |
254 |
61 |
7838 |
◊ |
G |
x,y,z |
1_555 |
251 |
64 |
8909 |
2470.8 |
-43.8 |
0.042 |
23 |
8 |
0 |
0.831 |
Average: |
2474.5 |
-45.0 |
0.033 |
21 |
7 |
0 |
0.831 |
4 |
6 |
|
J |
101 |
19 |
32424 |
◊ |
A |
x,y,z |
1_555 |
76 |
21 |
8519 |
765.0 |
-6.4 |
0.825 |
13 |
0 |
0 |
0.193 |
5 |
7 |
|
J |
92 |
18 |
32424 |
◊ |
E |
x,y,z |
1_555 |
72 |
22 |
8793 |
734.5 |
-15.3 |
0.530 |
14 |
0 |
0 |
0.438 |
6 |
8 |
|
I |
92 |
18 |
32303 |
◊ |
E |
x,y,z |
1_555 |
76 |
21 |
8793 |
716.0 |
-6.1 |
0.816 |
14 |
0 |
0 |
0.206 |
7 |
9 |
|
I |
84 |
16 |
32303 |
◊ |
A |
x,y,z |
1_555 |
70 |
21 |
8519 |
680.4 |
-14.4 |
0.515 |
16 |
0 |
0 |
0.522 |
8 |
10 |
|
G |
63 |
17 |
8909 |
◊ |
E |
x,y,z |
1_555 |
64 |
20 |
8793 |
662.4 |
-7.3 |
0.378 |
7 |
0 |
0 |
0.174 |
11 |
|
C |
61 |
16 |
8651 |
◊ |
A |
x,y,z |
1_555 |
59 |
20 |
8519 |
655.9 |
-8.1 |
0.313 |
6 |
0 |
0 |
0.174 |
Average: |
659.2 |
-7.7 |
0.345 |
7 |
0 |
0 |
0.174 |
9 |
12 |
|
E |
53 |
14 |
8793 |
◊ |
A |
x,y,z |
1_555 |
55 |
15 |
8519 |
589.7 |
-10.6 |
0.223 |
1 |
3 |
0 |
0.358 |
10 |
13 |
|
J |
66 |
15 |
32424 |
◊ |
G |
x,y,z |
1_555 |
52 |
20 |
8909 |
532.5 |
-8.2 |
0.591 |
11 |
0 |
0 |
0.346 |
11 |
14 |
|
D |
54 |
12 |
7745 |
◊ |
F |
x,y,z |
1_555 |
53 |
12 |
7586 |
511.5 |
-1.2 |
0.657 |
8 |
3 |
0 |
0.156 |
15 |
|
H |
57 |
13 |
7838 |
◊ |
B |
x,y,z |
1_555 |
48 |
12 |
6478 |
495.2 |
-2.7 |
0.656 |
5 |
1 |
0 |
0.156 |
Average: |
503.3 |
-2.0 |
0.656 |
7 |
2 |
0 |
0.156 |
12 |
16 |
|
I |
58 |
12 |
32303 |
◊ |
C |
x,y,z |
1_555 |
51 |
18 |
8651 |
484.0 |
-6.9 |
0.628 |
9 |
0 |
0 |
0.360 |
13 |
17 |
|
I |
64 |
13 |
32303 |
◊ |
G |
x,y,z |
1_555 |
54 |
16 |
8909 |
467.6 |
-5.8 |
0.697 |
8 |
0 |
0 |
0.155 |
14 |
18 |
|
C |
40 |
14 |
8651 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
6478 |
419.0 |
-3.2 |
0.519 |
4 |
0 |
0 |
0.137 |
19 |
|
G |
42 |
15 |
8909 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
7586 |
373.2 |
-4.2 |
0.361 |
5 |
0 |
0 |
0.137 |
Average: |
396.1 |
-3.7 |
0.440 |
5 |
0 |
0 |
0.137 |
15 |
20 |
|
J |
59 |
13 |
32424 |
◊ |
C |
x,y,z |
1_555 |
45 |
13 |
8651 |
405.5 |
-5.6 |
0.676 |
8 |
0 |
0 |
0.144 |
16 |
21 |
|
I |
50 |
11 |
32303 |
◊ |
F |
x,y,z |
1_555 |
41 |
14 |
7586 |
391.2 |
-5.3 |
0.621 |
6 |
0 |
0 |
0.069 |
17 |
22 |
|
J |
51 |
11 |
32424 |
◊ |
F |
x,y,z |
1_555 |
43 |
13 |
7586 |
391.0 |
-5.3 |
0.622 |
5 |
0 |
0 |
0.114 |
18 |
23 |
|
I |
44 |
10 |
32303 |
◊ |
H |
x,y,z |
1_555 |
42 |
14 |
7838 |
370.5 |
-8.6 |
0.444 |
8 |
0 |
0 |
0.137 |
19 |
24 |
|
J |
38 |
8 |
32424 |
◊ |
B |
x,y,z |
1_555 |
38 |
14 |
6478 |
336.3 |
-8.0 |
0.435 |
7 |
0 |
0 |
0.169 |
20 |
25 |
|
J |
44 |
9 |
32424 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
7745 |
335.8 |
-5.5 |
0.602 |
7 |
0 |
0 |
0.131 |
21 |
26 |
|
J |
38 |
6 |
32424 |
◊ |
H |
x,y,z |
1_555 |
34 |
11 |
7838 |
292.2 |
-4.1 |
0.650 |
3 |
0 |
0 |
0.083 |
22 |
27 |
|
I |
34 |
4 |
32303 |
◊ |
D |
x,y,z |
1_555 |
31 |
10 |
7745 |
280.5 |
-3.6 |
0.648 |
4 |
0 |
0 |
0.029 |
23 |
28 |
|
F |
31 |
8 |
7586 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
32 |
8 |
7838 |
277.4 |
-0.1 |
0.711 |
3 |
2 |
0 |
0.003 |
24 |
29 |
|
I |
34 |
10 |
32303 |
◊ |
B |
x,y,z |
1_555 |
24 |
10 |
6478 |
248.8 |
-2.7 |
0.674 |
4 |
0 |
0 |
0.045 |
25 |
30 |
|
H |
34 |
12 |
7838 |
◊ |
F |
x,y,z |
1_555 |
29 |
7 |
7586 |
231.8 |
-1.0 |
0.653 |
4 |
2 |
0 |
0.101 |
31 |
|
D |
30 |
12 |
7745 |
◊ |
B |
x,y,z |
1_555 |
27 |
7 |
6478 |
231.5 |
-1.6 |
0.610 |
4 |
2 |
0 |
0.101 |
Average: |
231.7 |
-1.3 |
0.632 |
4 |
2 |
0 |
0.101 |
26 |
32 |
|
F |
17 |
5 |
7586 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
8 |
8909 |
181.6 |
-0.9 |
0.569 |
2 |
2 |
0 |
0.004 |
27 |
33 |
|
J |
25 |
5 |
32424 |
◊ |
I |
x-1,y,z |
1_455 |
22 |
4 |
32303 |
176.1 |
-5.3 |
0.444 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
I |
24 |
4 |
32303 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
27 |
4 |
32424 |
171.8 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
J |
18 |
6 |
32424 |
◊ |
I |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
5 |
32303 |
143.7 |
-4.6 |
0.476 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
J |
16 |
3 |
32424 |
x |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
3 |
32424 |
143.5 |
-4.4 |
0.454 |
0 |
0 |
0 |
0.000 |
31 |
37 |
|
J |
18 |
5 |
32424 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
15 |
6 |
7838 |
139.6 |
-2.8 |
0.548 |
1 |
0 |
0 |
0.006 |
32 |
38 |
|
I |
18 |
4 |
32303 |
◊ |
J |
x-1,y,z |
1_455 |
21 |
4 |
32424 |
133.9 |
-4.3 |
0.418 |
0 |
0 |
0 |
0.000 |
33 |
39 |
|
G |
15 |
4 |
8909 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8651 |
116.6 |
-0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
I |
15 |
4 |
32303 |
x |
I |
x-1,y,z |
1_455 |
15 |
4 |
32303 |
112.3 |
0.2 |
0.740 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
E |
13 |
5 |
8793 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
3 |
8909 |
112.2 |
0.7 |
0.738 |
4 |
0 |
0 |
0.002 |
36 |
42 |
|
J |
14 |
3 |
32424 |
x |
J |
x-1/2,-y+1/2,-z |
4_455 |
16 |
3 |
32424 |
105.2 |
-0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
I |
13 |
3 |
32303 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
8519 |
94.8 |
-2.9 |
0.463 |
3 |
0 |
0 |
0.000 |
38 |
44 |
|
I |
11 |
3 |
32303 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
3 |
7838 |
84.6 |
-2.0 |
0.512 |
0 |
0 |
0 |
0.003 |
39 |
45 |
|
I |
12 |
2 |
32303 |
x |
I |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
32303 |
83.8 |
-3.9 |
0.366 |
0 |
0 |
0 |
0.000 |
40 |
46 |
|
D |
12 |
4 |
7745 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
3 |
32303 |
83.4 |
-1.5 |
0.593 |
2 |
0 |
0 |
0.000 |
41 |
47 |
|
G |
6 |
3 |
8909 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
8519 |
65.0 |
1.4 |
0.861 |
0 |
0 |
0 |
0.000 |
48 |
|
C |
1 |
1 |
8651 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
8793 |
7.1 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
36.0 |
0.7 |
0.680 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
I |
10 |
4 |
32303 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
4 |
32424 |
64.4 |
-3.4 |
0.407 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
H |
5 |
2 |
7838 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
8651 |
59.9 |
-0.0 |
0.675 |
0 |
0 |
0 |
0.001 |
51 |
|
D |
4 |
2 |
7745 |
◊ |
G |
x,y,z |
1_555 |
7 |
3 |
8909 |
40.3 |
-0.2 |
0.643 |
0 |
0 |
0 |
0.001 |
Average: |
50.1 |
-0.1 |
0.659 |
0 |
0 |
0 |
0.001 |
44 |
52 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
8519 |
59.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.563 |
53 |
|
[CL]E:202 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
8793 |
59.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.563 |
Average: |
59.2 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.563 |
45 |
54 |
|
[MN]J:303 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32424 |
56.4 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.126 |
46 |
55 |
|
[MN]J:301 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32424 |
54.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.108 |
47 |
56 |
|
[MN]J:304 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32424 |
53.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.096 |
48 |
57 |
|
D |
5 |
3 |
7745 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
32424 |
50.4 |
-1.6 |
0.350 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
E |
8 |
4 |
8793 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
7838 |
50.3 |
0.3 |
0.738 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[MN]I:203 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32303 |
50.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.119 |
51 |
60 |
|
[MN]I:202 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32303 |
49.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.119 |
52 |
61 |
|
[MN]J:302 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
32424 |
48.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.097 |
53 |
62 |
|
[MN]I:201 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
32303 |
48.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.111 |
54 |
63 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
9 |
3 |
8793 |
47.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.078 |
55 |
64 |
|
[CL]D:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
8651 |
44.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.200 |
65 |
|
[CL]G:201 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
8909 |
44.1 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.200 |
Average: |
44.2 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.200 |
56 |
66 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
7838 |
43.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.082 |
67 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
7745 |
42.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.082 |
Average: |
42.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.082 |
57 |
68 |
|
J |
6 |
2 |
32424 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
4 |
2 |
32303 |
43.0 |
-2.5 |
0.301 |
0 |
0 |
0 |
0.000 |
58 |
69 |
|
I |
6 |
2 |
32303 |
x |
I |
-x+1/2,-y+1,z-1/2 |
2_564 |
5 |
2 |
32303 |
37.8 |
0.4 |
0.625 |
0 |
0 |
0 |
0.000 |
59 |
70 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
8 |
4 |
7838 |
35.4 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.004 |
60 |
71 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
G |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
8909 |
19.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
61 |
72 |
|
E |
2 |
1 |
8793 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
8519 |
18.4 |
0.8 |
0.887 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[CL]D:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32303 |
18.3 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.090 |
63 |
74 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
32424 |
17.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.069 |
64 |
75 |
|
E |
2 |
1 |
8793 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
32424 |
17.2 |
-1.0 |
0.323 |
0 |
0 |
0 |
0.000 |
65 |
76 |
|
J |
3 |
1 |
32424 |
x |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
32424 |
17.1 |
-0.4 |
0.496 |
0 |
0 |
0 |
0.000 |
66 |
77 |
|
[MN]J:303 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32303 |
16.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
67 |
78 |
|
E |
1 |
1 |
8793 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
32303 |
16.6 |
-1.2 |
0.189 |
0 |
0 |
0 |
0.000 |
68 |
79 |
|
[MN]I:203 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
32424 |
15.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
69 |
80 |
|
[MN]I:201 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32424 |
11.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
70 |
81 |
|
[MN]J:302 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32303 |
10.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
71 |
82 |
|
[MN]J:303 |
1 |
1 |
123 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
32424 |
10.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
83 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
7586 |
9.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
73 |
84 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6478 |
8.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
85 |
|
[CL]E:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7586 |
5.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
7.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.016 |
74 |
86 |
|
[MN]I:202 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32424 |
7.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
87 |
|
H |
1 |
1 |
7838 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
8793 |
6.9 |
-0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
76 |
88 |
|
[MN]J:301 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32303 |
5.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
77 |
89 |
|
[MN]J:304 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32303 |
4.8 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
78 |
90 |
|
J |
1 |
1 |
32424 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
8651 |
2.9 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
79 |
91 |
|
[MN]J:304 |
1 |
1 |
123 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8793 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|