## |
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 |
|
G |
139 |
30 |
6744 |
◊ |
E |
x,y,z |
1_555 |
140 |
30 |
6532 |
1310.7 |
-6.1 |
0.480 |
16 |
8 |
0 |
0.278 |
2 |
|
C |
144 |
32 |
6770 |
◊ |
B |
x,y,z |
1_555 |
143 |
31 |
6826 |
1295.1 |
-5.9 |
0.459 |
16 |
8 |
0 |
0.278 |
3 |
|
D |
137 |
29 |
6722 |
◊ |
A |
x,y,z |
1_555 |
139 |
29 |
6775 |
1287.7 |
-6.7 |
0.436 |
17 |
8 |
0 |
0.278 |
4 |
|
I |
138 |
29 |
6717 |
◊ |
F |
x,y,z |
1_555 |
135 |
29 |
6644 |
1281.9 |
-7.0 |
0.404 |
18 |
8 |
0 |
0.278 |
5 |
|
J |
137 |
30 |
6736 |
◊ |
H |
x,y,z |
1_555 |
136 |
30 |
6776 |
1278.1 |
-7.4 |
0.399 |
17 |
8 |
0 |
0.278 |
Average: |
1290.7 |
-6.6 |
0.435 |
17 |
8 |
0 |
0.278 |
2 |
6 |
|
I |
45 |
15 |
6717 |
◊ |
E |
x,y,z |
1_555 |
46 |
15 |
6532 |
463.3 |
-9.2 |
0.046 |
2 |
0 |
0 |
0.132 |
7 |
|
H |
49 |
16 |
6776 |
◊ |
F |
x,y,z |
1_555 |
47 |
16 |
6644 |
458.6 |
-9.6 |
0.049 |
2 |
0 |
0 |
0.132 |
8 |
|
J |
44 |
15 |
6736 |
◊ |
D |
x,y,z |
1_555 |
48 |
16 |
6722 |
457.9 |
-9.0 |
0.054 |
2 |
0 |
0 |
0.132 |
9 |
|
B |
47 |
16 |
6826 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
6775 |
446.2 |
-8.2 |
0.063 |
2 |
0 |
0 |
0.132 |
10 |
|
G |
46 |
15 |
6744 |
◊ |
C |
x,y,z |
1_555 |
46 |
15 |
6770 |
441.9 |
-8.8 |
0.054 |
2 |
0 |
0 |
0.132 |
Average: |
453.6 |
-9.0 |
0.053 |
2 |
0 |
0 |
0.132 |
3 |
11 |
|
B |
47 |
15 |
6826 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
50 |
16 |
6644 |
432.5 |
-1.3 |
0.530 |
0 |
0 |
0 |
0.000 |
4 |
12 |
|
E |
39 |
8 |
6532 |
◊ |
C |
x,y,z |
1_555 |
54 |
16 |
6770 |
414.0 |
-0.5 |
0.564 |
2 |
0 |
0 |
0.053 |
13 |
|
J |
51 |
17 |
6736 |
◊ |
A |
x,y,z |
1_555 |
40 |
7 |
6775 |
410.4 |
-1.3 |
0.492 |
4 |
0 |
0 |
0.053 |
14 |
|
H |
38 |
7 |
6776 |
◊ |
D |
x,y,z |
1_555 |
53 |
17 |
6722 |
405.9 |
-1.2 |
0.540 |
1 |
0 |
0 |
0.053 |
15 |
|
I |
38 |
7 |
6717 |
◊ |
H |
x,y,z |
1_555 |
52 |
17 |
6776 |
397.7 |
-1.2 |
0.537 |
1 |
0 |
0 |
0.053 |
16 |
|
C |
44 |
9 |
6770 |
◊ |
A |
x,y,z |
1_555 |
53 |
14 |
6775 |
396.3 |
-2.2 |
0.459 |
2 |
0 |
0 |
0.053 |
17 |
|
J |
38 |
6 |
6736 |
◊ |
F |
x,y,z |
1_555 |
53 |
16 |
6644 |
391.2 |
-1.0 |
0.537 |
1 |
0 |
0 |
0.053 |
18 |
|
I |
52 |
15 |
6717 |
◊ |
G |
x,y,z |
1_555 |
40 |
7 |
6744 |
388.9 |
-1.4 |
0.524 |
1 |
0 |
0 |
0.053 |
19 |
|
G |
54 |
15 |
6744 |
◊ |
B |
x,y,z |
1_555 |
37 |
7 |
6826 |
383.5 |
-1.3 |
0.549 |
2 |
0 |
0 |
0.053 |
20 |
|
F |
37 |
6 |
6644 |
◊ |
E |
x,y,z |
1_555 |
48 |
15 |
6532 |
383.3 |
-1.4 |
0.504 |
5 |
0 |
0 |
0.053 |
21 |
|
D |
37 |
7 |
6722 |
◊ |
B |
x,y,z |
1_555 |
53 |
16 |
6826 |
382.9 |
-0.4 |
0.581 |
3 |
0 |
0 |
0.053 |
Average: |
395.4 |
-1.2 |
0.529 |
2 |
0 |
0 |
0.053 |
5 |
22 |
|
H |
32 |
12 |
6776 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
26 |
6 |
6775 |
271.0 |
2.8 |
0.807 |
3 |
9 |
0 |
0.000 |
6 |
23 |
|
B |
30 |
14 |
6826 |
◊ |
G |
x-1/2,-y+3/2,-z |
4_465 |
28 |
9 |
6744 |
241.9 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
24 |
|
A |
24 |
7 |
6775 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
25 |
10 |
6770 |
213.9 |
-0.7 |
0.536 |
0 |
0 |
0 |
0.000 |
Average: |
227.9 |
-0.3 |
0.570 |
0 |
0 |
0 |
0.000 |
7 |
25 |
|
J |
23 |
8 |
6736 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
24 |
5 |
6770 |
189.9 |
-1.2 |
0.382 |
0 |
1 |
0 |
0.000 |
8 |
26 |
|
D |
20 |
5 |
6722 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
21 |
4 |
6644 |
186.1 |
-1.0 |
0.500 |
0 |
0 |
0 |
0.000 |
9 |
27 |
|
[K6H]I:1094 |
11 |
1 |
298 |
f |
I |
x,y,z |
1_555 |
28 |
15 |
6717 |
170.8 |
-6.4 |
0.418 |
3 |
0 |
0 |
0.261 |
28 |
|
[K6H]J:1093 |
11 |
1 |
297 |
f |
J |
x,y,z |
1_555 |
31 |
15 |
6736 |
170.4 |
-6.5 |
0.385 |
2 |
0 |
0 |
0.261 |
29 |
|
[K6H]A:1093 |
11 |
1 |
296 |
f |
A |
x,y,z |
1_555 |
30 |
15 |
6775 |
170.1 |
-6.5 |
0.379 |
3 |
0 |
0 |
0.261 |
30 |
|
[K6H]E:1092 |
11 |
1 |
297 |
f |
E |
x,y,z |
1_555 |
31 |
15 |
6532 |
169.1 |
-6.4 |
0.435 |
3 |
0 |
0 |
0.261 |
31 |
|
[K6H]B:1095 |
11 |
1 |
295 |
f |
B |
x,y,z |
1_555 |
32 |
15 |
6826 |
169.0 |
-6.4 |
0.421 |
2 |
0 |
0 |
0.261 |
32 |
|
[K6H]G:1095 |
11 |
1 |
297 |
f |
G |
x,y,z |
1_555 |
30 |
15 |
6744 |
168.8 |
-6.4 |
0.437 |
3 |
0 |
0 |
0.261 |
33 |
|
[K6H]C:1097 |
11 |
1 |
296 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
6770 |
168.4 |
-6.4 |
0.433 |
3 |
0 |
0 |
0.261 |
34 |
|
[K6H]H:1093 |
11 |
1 |
295 |
f |
H |
x,y,z |
1_555 |
29 |
15 |
6776 |
167.9 |
-6.5 |
0.429 |
3 |
0 |
0 |
0.261 |
35 |
|
[K6H]D:1092 |
11 |
1 |
294 |
f |
D |
x,y,z |
1_555 |
30 |
14 |
6722 |
167.0 |
-6.4 |
0.409 |
2 |
0 |
0 |
0.261 |
Average: |
169.0 |
-6.4 |
0.416 |
3 |
0 |
0 |
0.261 |
10 |
36 |
|
[K6H]F:1093 |
11 |
1 |
295 |
f |
F |
x,y,z |
1_555 |
33 |
15 |
6644 |
169.8 |
-6.4 |
0.426 |
3 |
0 |
0 |
0.133 |
11 |
37 |
|
B |
14 |
4 |
6826 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
17 |
6 |
6736 |
150.0 |
-0.8 |
0.497 |
1 |
1 |
0 |
0.000 |
12 |
38 |
|
H |
10 |
3 |
6776 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
3 |
6770 |
130.5 |
-1.0 |
0.451 |
0 |
0 |
0 |
0.000 |
13 |
39 |
|
H |
14 |
5 |
6776 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
11 |
3 |
6744 |
120.0 |
3.3 |
0.912 |
2 |
8 |
0 |
0.000 |
14 |
40 |
|
H |
10 |
2 |
6776 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
13 |
3 |
6717 |
118.9 |
0.8 |
0.715 |
0 |
3 |
0 |
0.000 |
15 |
41 |
|
A |
9 |
4 |
6775 |
◊ |
G |
x-1/2,-y+3/2,-z |
4_465 |
8 |
4 |
6744 |
96.9 |
0.4 |
0.700 |
0 |
0 |
0 |
0.000 |
16 |
42 |
|
B |
9 |
4 |
6826 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
10 |
3 |
6770 |
81.5 |
-0.5 |
0.494 |
0 |
0 |
0 |
0.000 |
17 |
43 |
|
D |
11 |
3 |
6722 |
◊ |
I |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
6717 |
79.3 |
1.6 |
0.662 |
0 |
1 |
0 |
0.000 |
18 |
44 |
|
[CL]D:1093 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
6722 |
63.2 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.342 |
45 |
|
[CL]I:1093 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
15 |
9 |
6717 |
62.6 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.342 |
46 |
|
[CL]G:1096 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
16 |
9 |
6744 |
62.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.342 |
47 |
|
[CL]H:1094 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
6776 |
61.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.342 |
48 |
|
[CL]C:1095 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
6770 |
61.3 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.342 |
49 |
|
[CL]B:1096 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
6826 |
61.3 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.342 |
50 |
|
[CL]A:1094 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
6775 |
61.3 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.342 |
51 |
|
[CL]J:1094 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
15 |
9 |
6736 |
61.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.342 |
52 |
|
[CL]E:1093 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
15 |
8 |
6532 |
61.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.342 |
53 |
|
[CL]F:1092 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
7 |
6644 |
60.6 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.342 |
Average: |
61.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.342 |
19 |
54 |
|
G |
8 |
2 |
6744 |
◊ |
J |
-x+3/2,-y+1,z-1/2 |
2_664 |
7 |
1 |
6736 |
59.9 |
0.3 |
0.687 |
0 |
0 |
0 |
0.000 |
20 |
55 |
|
[K6H]D:1092 |
7 |
1 |
294 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6775 |
56.7 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
56 |
|
[K6H]I:1094 |
6 |
1 |
298 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6644 |
55.2 |
0.3 |
0.754 |
0 |
0 |
0 |
0.000 |
57 |
|
[K6H]J:1093 |
7 |
1 |
297 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
6776 |
54.7 |
0.3 |
0.727 |
0 |
0 |
0 |
0.000 |
58 |
|
[K6H]A:1093 |
7 |
1 |
296 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
6722 |
54.4 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
59 |
|
[K6H]G:1095 |
6 |
1 |
297 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
6532 |
54.3 |
0.1 |
0.698 |
0 |
0 |
0 |
0.000 |
60 |
|
[K6H]H:1093 |
6 |
1 |
295 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
6736 |
54.0 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
61 |
|
[K6H]C:1097 |
7 |
1 |
296 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6826 |
53.9 |
0.4 |
0.790 |
0 |
0 |
0 |
0.000 |
Average: |
54.7 |
0.3 |
0.734 |
0 |
0 |
0 |
0.000 |
21 |
62 |
|
[K6H]E:1092 |
7 |
1 |
297 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
6744 |
55.1 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
63 |
|
[K6H]F:1093 |
6 |
1 |
295 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
6717 |
53.5 |
0.5 |
0.832 |
0 |
0 |
0 |
0.000 |
64 |
|
[K6H]B:1095 |
6 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6770 |
53.5 |
0.5 |
0.788 |
0 |
0 |
0 |
0.000 |
Average: |
54.0 |
0.4 |
0.801 |
0 |
0 |
0 |
0.000 |
22 |
65 |
|
[CL]B:1097 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6826 |
51.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.202 |
66 |
|
[CL]C:1096 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
6770 |
48.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.202 |
Average: |
49.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.202 |
23 |
67 |
|
[CL]A:1095 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
3 |
6775 |
47.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.096 |
68 |
|
[CL]B:1098 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
10 |
2 |
6744 |
45.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
46.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.096 |
24 |
69 |
|
[CL]C:1096 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
6744 |
45.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.072 |
70 |
|
[CL]B:1097 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
6775 |
43.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.072 |
Average: |
44.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.072 |
25 |
71 |
|
[CL]B:1098 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
6826 |
33.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[CL]A:1095 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6770 |
32.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
32.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.016 |
26 |
73 |
|
[CL]E:1093 |
1 |
1 |
125 |
f |
[K6H]E:1092 |
x,y,z |
1_555 |
6 |
1 |
297 |
28.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.130 |
74 |
|
[CL]G:1096 |
1 |
1 |
125 |
f |
[K6H]G:1095 |
x,y,z |
1_555 |
7 |
1 |
297 |
27.9 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
75 |
|
[CL]J:1094 |
1 |
1 |
125 |
f |
[K6H]J:1093 |
x,y,z |
1_555 |
7 |
1 |
297 |
27.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.130 |
76 |
|
[CL]F:1092 |
1 |
1 |
125 |
f |
[K6H]F:1093 |
x,y,z |
1_555 |
5 |
1 |
295 |
27.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
77 |
|
[CL]H:1094 |
1 |
1 |
125 |
f |
[K6H]H:1093 |
x,y,z |
1_555 |
7 |
1 |
295 |
27.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.130 |
78 |
|
[CL]B:1096 |
1 |
1 |
125 |
f |
[K6H]B:1095 |
x,y,z |
1_555 |
7 |
1 |
295 |
27.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
79 |
|
[CL]A:1094 |
1 |
1 |
125 |
f |
[K6H]A:1093 |
x,y,z |
1_555 |
6 |
1 |
296 |
27.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
80 |
|
[CL]I:1093 |
1 |
1 |
125 |
f |
[K6H]I:1094 |
x,y,z |
1_555 |
7 |
1 |
298 |
26.3 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
81 |
|
[CL]C:1095 |
1 |
1 |
125 |
f |
[K6H]C:1097 |
x,y,z |
1_555 |
6 |
1 |
296 |
26.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.130 |
82 |
|
[CL]D:1093 |
1 |
1 |
125 |
f |
[K6H]D:1092 |
x,y,z |
1_555 |
7 |
1 |
294 |
25.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.130 |
Average: |
27.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.130 |
27 |
83 |
|
[CL]A:1095 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
6826 |
27.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
84 |
|
[CL]B:1098 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6770 |
26.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
27.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.044 |
28 |
85 |
|
J |
2 |
2 |
6736 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6770 |
13.5 |
0.6 |
0.842 |
0 |
0 |
0 |
0.000 |
29 |
86 |
|
B |
3 |
1 |
6826 |
◊ |
[CL]C:1096 |
x-1/2,-y+3/2,-z |
4_465 |
1 |
1 |
125 |
12.2 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
87 |
|
[CL]B:1097 |
1 |
1 |
125 |
◊ |
C |
x-1/2,-y+3/2,-z |
4_465 |
3 |
1 |
6770 |
9.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
10.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
30 |
88 |
|
H |
1 |
1 |
6776 |
◊ |
F |
-x+3/2,-y+1,z-1/2 |
2_664 |
1 |
1 |
6644 |
0.2 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
31 |
89 |
|
[K6H]A:1093 |
1 |
1 |
296 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
6736 |
0.2 |
-0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
|