| ## |
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 |
155 |
39 |
9696 |
◊ |
I |
x,y,z |
1_555 |
154 |
39 |
9739 |
1424.7 |
-18.7 |
0.120 |
14 |
0 |
0 |
1.000 |
2 |
|
D |
146 |
39 |
9535 |
◊ |
C |
x,y,z |
1_555 |
153 |
38 |
9656 |
1390.7 |
-18.8 |
0.130 |
12 |
0 |
0 |
1.000 |
3 |
|
L |
148 |
39 |
9631 |
◊ |
G |
x,y,z |
1_555 |
152 |
39 |
9657 |
1389.3 |
-18.5 |
0.144 |
14 |
0 |
0 |
1.000 |
4 |
|
F |
147 |
39 |
9506 |
◊ |
A |
x,y,z |
1_555 |
153 |
39 |
9641 |
1381.2 |
-18.7 |
0.120 |
14 |
0 |
0 |
1.000 |
5 |
|
E |
150 |
38 |
9713 |
◊ |
B |
x,y,z |
1_555 |
149 |
39 |
9639 |
1375.3 |
-18.8 |
0.112 |
17 |
0 |
0 |
1.000 |
6 |
|
K |
153 |
40 |
9649 |
◊ |
H |
x,y,z |
1_555 |
151 |
37 |
9601 |
1371.9 |
-19.4 |
0.113 |
18 |
0 |
0 |
1.000 |
| Average: |
1388.9 |
-18.8 |
0.123 |
15 |
0 |
0 |
1.000 |
| 2 |
7 |
|
B |
84 |
21 |
9639 |
◊ |
D |
-y+1,x,z |
3_655 |
78 |
22 |
9535 |
792.7 |
-7.2 |
0.382 |
8 |
2 |
0 |
1.000 |
8 |
|
B |
77 |
21 |
9639 |
◊ |
E |
-y+1,x,z |
3_655 |
87 |
21 |
9713 |
780.8 |
-7.2 |
0.366 |
8 |
2 |
0 |
1.000 |
9 |
|
C |
78 |
22 |
9656 |
◊ |
A |
x,y,z |
1_555 |
86 |
21 |
9641 |
779.2 |
-9.3 |
0.224 |
7 |
1 |
0 |
1.000 |
10 |
|
J |
77 |
20 |
9696 |
◊ |
G |
x,y,z |
1_555 |
87 |
21 |
9657 |
774.1 |
-8.4 |
0.282 |
8 |
1 |
0 |
1.000 |
11 |
|
L |
88 |
21 |
9631 |
◊ |
G |
-y,x,z |
3_555 |
77 |
20 |
9657 |
769.7 |
-8.0 |
0.319 |
8 |
1 |
0 |
1.000 |
12 |
|
L |
79 |
21 |
9631 |
◊ |
J |
-y,x,z |
3_555 |
89 |
21 |
9696 |
769.4 |
-8.6 |
0.285 |
8 |
1 |
0 |
1.000 |
13 |
|
F |
84 |
20 |
9506 |
◊ |
A |
-y+1,x,z |
3_655 |
76 |
20 |
9641 |
767.7 |
-7.3 |
0.352 |
8 |
1 |
0 |
1.000 |
14 |
|
K |
82 |
21 |
9649 |
◊ |
I |
-y,x,z |
3_555 |
77 |
21 |
9739 |
764.9 |
-8.8 |
0.232 |
8 |
1 |
0 |
1.000 |
15 |
|
I |
82 |
20 |
9739 |
◊ |
H |
x,y,z |
1_555 |
77 |
21 |
9601 |
762.5 |
-9.2 |
0.219 |
8 |
4 |
0 |
1.000 |
16 |
|
K |
79 |
21 |
9649 |
◊ |
H |
-y,x,z |
3_555 |
80 |
21 |
9601 |
762.1 |
-7.8 |
0.320 |
8 |
3 |
0 |
1.000 |
17 |
|
E |
78 |
20 |
9713 |
◊ |
D |
x,y,z |
1_555 |
86 |
21 |
9535 |
761.3 |
-9.1 |
0.230 |
8 |
1 |
0 |
1.000 |
18 |
|
F |
76 |
20 |
9506 |
◊ |
C |
-y+1,x,z |
3_655 |
84 |
20 |
9656 |
761.2 |
-8.3 |
0.268 |
7 |
1 |
0 |
1.000 |
| Average: |
770.5 |
-8.3 |
0.290 |
8 |
2 |
0 |
1.000 |
| 3 |
19 |
|
E |
47 |
13 |
9713 |
x |
E |
-y+1,x,z |
3_655 |
48 |
12 |
9713 |
445.9 |
-4.0 |
0.394 |
4 |
2 |
0 |
0.538 |
20 |
|
H |
47 |
13 |
9601 |
x |
H |
-y,x,z |
3_555 |
47 |
12 |
9601 |
444.7 |
-4.0 |
0.419 |
4 |
2 |
0 |
0.538 |
21 |
|
L |
46 |
12 |
9631 |
x |
L |
-y,x,z |
3_555 |
46 |
13 |
9631 |
429.1 |
-4.1 |
0.414 |
3 |
4 |
0 |
0.538 |
22 |
|
I |
46 |
14 |
9739 |
x |
G |
x,y,z |
1_555 |
46 |
12 |
9657 |
426.6 |
-3.4 |
0.436 |
4 |
2 |
0 |
0.538 |
23 |
|
G |
48 |
13 |
9657 |
x |
J |
-y,x,z |
3_555 |
48 |
12 |
9696 |
426.4 |
-3.6 |
0.443 |
3 |
1 |
0 |
0.538 |
24 |
|
K |
44 |
13 |
9649 |
x |
I |
x,y,z |
1_555 |
49 |
13 |
9739 |
421.8 |
-3.5 |
0.422 |
6 |
3 |
0 |
0.538 |
25 |
|
F |
49 |
13 |
9506 |
x |
F |
-y+1,x,z |
3_655 |
44 |
13 |
9506 |
420.5 |
-3.9 |
0.407 |
4 |
2 |
0 |
0.538 |
26 |
|
K |
49 |
12 |
9649 |
x |
J |
-y,x,z |
3_555 |
45 |
13 |
9696 |
418.8 |
-3.5 |
0.438 |
3 |
2 |
0 |
0.538 |
27 |
|
D |
48 |
12 |
9535 |
x |
B |
x,y,z |
1_555 |
46 |
13 |
9639 |
411.1 |
-3.0 |
0.481 |
4 |
2 |
0 |
0.538 |
28 |
|
A |
45 |
13 |
9641 |
x |
C |
-y+1,x,z |
3_655 |
46 |
12 |
9656 |
405.1 |
-2.7 |
0.503 |
3 |
2 |
0 |
0.538 |
29 |
|
B |
46 |
12 |
9639 |
x |
C |
-y+1,x,z |
3_655 |
45 |
13 |
9656 |
401.0 |
-3.2 |
0.458 |
4 |
2 |
0 |
0.538 |
30 |
|
D |
46 |
13 |
9535 |
x |
A |
x,y,z |
1_555 |
46 |
11 |
9641 |
397.2 |
-3.7 |
0.424 |
3 |
2 |
0 |
0.538 |
| Average: |
420.7 |
-3.5 |
0.437 |
4 |
2 |
0 |
0.538 |
| 4 |
31 |
|
K |
37 |
13 |
9649 |
◊ |
A |
x,y,z |
1_555 |
37 |
12 |
9641 |
357.8 |
0.8 |
0.760 |
7 |
2 |
0 |
0.000 |
32 |
|
B |
30 |
12 |
9639 |
◊ |
G |
x,y,z-1 |
1_554 |
32 |
11 |
9657 |
293.9 |
1.0 |
0.811 |
3 |
1 |
0 |
0.000 |
| Average: |
325.9 |
0.9 |
0.785 |
5 |
2 |
0 |
0.000 |
| 5 |
33 |
|
K |
33 |
14 |
9649 |
◊ |
F |
x,y,z |
1_555 |
30 |
12 |
9506 |
240.0 |
0.6 |
0.742 |
4 |
2 |
0 |
0.000 |
34 |
|
B |
30 |
12 |
9639 |
◊ |
L |
x,y,z-1 |
1_554 |
31 |
15 |
9631 |
229.7 |
-1.2 |
0.599 |
1 |
1 |
0 |
0.000 |
| Average: |
234.8 |
-0.3 |
0.670 |
3 |
2 |
0 |
0.000 |
| 6 |
35 |
|
E |
20 |
9 |
9713 |
◊ |
L |
x,y,z-1 |
1_554 |
20 |
9 |
9631 |
179.5 |
-0.6 |
0.609 |
3 |
0 |
0 |
0.000 |
36 |
|
H |
21 |
8 |
9601 |
◊ |
F |
x,y,z |
1_555 |
19 |
7 |
9506 |
173.0 |
-0.6 |
0.615 |
3 |
0 |
0 |
0.000 |
| Average: |
176.2 |
-0.6 |
0.612 |
3 |
0 |
0 |
0.000 |
| 7 |
37 |
|
E |
11 |
4 |
9713 |
◊ |
G |
x,y,z-1 |
1_554 |
19 |
5 |
9657 |
138.7 |
-0.8 |
0.539 |
0 |
0 |
0 |
0.000 |
38 |
|
H |
10 |
3 |
9601 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
9641 |
111.4 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
| Average: |
125.0 |
-1.0 |
0.496 |
0 |
0 |
0 |
0.000 |
| 8 |
39 |
|
[IMD]L:201 |
5 |
1 |
198 |
f |
L |
x,y,z |
1_555 |
23 |
7 |
9631 |
131.0 |
3.7 |
0.486 |
0 |
0 |
0 |
0.000 |
40 |
|
[IMD]J:202 |
5 |
1 |
197 |
f |
J |
x,y,z |
1_555 |
21 |
7 |
9696 |
126.8 |
4.1 |
0.530 |
0 |
0 |
0 |
0.000 |
| Average: |
128.9 |
3.9 |
0.508 |
0 |
0 |
0 |
0.000 |
| 9 |
41 |
|
[IMD]I:202 |
5 |
1 |
197 |
f |
I |
x,y,z |
1_555 |
23 |
7 |
9739 |
130.0 |
4.1 |
0.446 |
0 |
0 |
0 |
0.000 |
| 10 |
42 |
|
[IMD]G:202 |
5 |
1 |
197 |
f |
G |
x,y,z |
1_555 |
20 |
7 |
9657 |
128.2 |
4.0 |
0.527 |
2 |
0 |
0 |
0.000 |
| 11 |
43 |
|
[IMD]E:201 |
5 |
1 |
197 |
f |
E |
x,y,z |
1_555 |
24 |
7 |
9713 |
127.9 |
4.1 |
0.409 |
1 |
0 |
0 |
0.000 |
44 |
|
[IMD]K:202 |
5 |
1 |
197 |
f |
K |
x,y,z |
1_555 |
19 |
7 |
9649 |
127.4 |
4.1 |
0.450 |
0 |
0 |
0 |
0.000 |
| Average: |
127.6 |
4.1 |
0.429 |
1 |
0 |
0 |
0.000 |
| 12 |
45 |
|
[IMD]D:201 |
5 |
1 |
198 |
f |
D |
x,y,z |
1_555 |
23 |
7 |
9535 |
127.5 |
4.1 |
0.470 |
0 |
0 |
0 |
0.000 |
| 13 |
46 |
|
[IMD]C:201 |
5 |
1 |
198 |
f |
C |
x,y,z |
1_555 |
21 |
7 |
9656 |
127.1 |
4.2 |
0.537 |
0 |
0 |
0 |
0.000 |
| 14 |
47 |
|
[IMD]A:204 |
5 |
1 |
198 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
9641 |
126.7 |
4.2 |
0.465 |
1 |
0 |
0 |
0.000 |
| 15 |
48 |
|
[IMD]H:201 |
5 |
1 |
197 |
f |
H |
x,y,z |
1_555 |
20 |
7 |
9601 |
126.4 |
4.1 |
0.462 |
0 |
0 |
0 |
0.000 |
| 16 |
49 |
|
[IMD]B:202 |
5 |
1 |
196 |
f |
B |
x,y,z |
1_555 |
21 |
7 |
9639 |
124.5 |
4.1 |
0.548 |
1 |
0 |
0 |
0.000 |
| 17 |
50 |
|
J |
11 |
4 |
9696 |
◊ |
I |
-x+1,-y,z |
2_655 |
13 |
4 |
9739 |
101.9 |
-0.2 |
0.574 |
1 |
0 |
0 |
0.000 |
| 18 |
51 |
|
I |
13 |
6 |
9739 |
◊ |
I |
-x+1,-y,z |
2_655 |
13 |
6 |
9739 |
74.4 |
0.8 |
0.779 |
0 |
0 |
0 |
0.000 |
| 19 |
52 |
|
[FE]A:203 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
9641 |
68.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.450 |
53 |
|
[FE]J:201 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
1 |
1 |
9696 |
68.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.450 |
| Average: |
68.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.450 |
| 20 |
54 |
|
D |
8 |
4 |
9535 |
◊ |
D |
-x,-y+1,z |
2_565 |
8 |
4 |
9535 |
65.9 |
-0.4 |
0.575 |
0 |
0 |
0 |
0.000 |
| 21 |
55 |
|
D |
7 |
4 |
9535 |
◊ |
C |
-x,-y+1,z |
2_565 |
8 |
3 |
9656 |
65.1 |
-0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
| 22 |
56 |
|
[FE]F:201 |
1 |
1 |
137 |
x |
F |
x,y,z |
1_555 |
8 |
3 |
9506 |
47.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.479 |
57 |
|
[FE]G:201 |
1 |
1 |
137 |
x |
G |
x,y,z |
1_555 |
5 |
3 |
9657 |
32.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.479 |
58 |
|
[FE]G:201 |
1 |
1 |
137 |
x |
K |
x,y,z |
1_555 |
6 |
3 |
9649 |
32.7 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.479 |
59 |
|
[FE]G:201 |
1 |
1 |
137 |
x |
I |
x,y,z |
1_555 |
6 |
3 |
9739 |
32.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.479 |
60 |
|
[FE]G:201 |
1 |
1 |
137 |
x |
J |
-y,x,z |
3_555 |
6 |
3 |
9696 |
30.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.479 |
61 |
|
[FE]A:201 |
1 |
1 |
137 |
x |
C |
-y+1,x,z |
3_655 |
5 |
3 |
9656 |
29.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.479 |
62 |
|
[FE]A:201 |
1 |
1 |
137 |
x |
A |
x,y,z |
1_555 |
4 |
2 |
9641 |
29.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.479 |
63 |
|
[FE]I:201 |
1 |
1 |
137 |
x |
I |
x,y,z |
1_555 |
4 |
2 |
9739 |
29.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.479 |
64 |
|
[FE]A:201 |
1 |
1 |
137 |
x |
B |
x,y,z |
1_555 |
4 |
2 |
9639 |
28.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.479 |
65 |
|
[FE]I:201 |
1 |
1 |
137 |
x |
G |
x,y,z |
1_555 |
4 |
2 |
9657 |
28.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.479 |
66 |
|
[FE]A:201 |
1 |
1 |
137 |
x |
D |
x,y,z |
1_555 |
5 |
3 |
9535 |
28.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.479 |
67 |
|
[FE]I:201 |
1 |
1 |
137 |
x |
J |
-y,x,z |
3_555 |
4 |
2 |
9696 |
27.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.479 |
| Average: |
31.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.479 |
| 23 |
68 |
|
[FE]I:201 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
9649 |
31.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.275 |
69 |
|
[FE]A:202 |
1 |
1 |
137 |
◊ |
C |
-y+1,x,z |
3_655 |
4 |
2 |
9656 |
30.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.275 |
70 |
|
[FE]A:202 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9641 |
29.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.275 |
71 |
|
[FE]A:202 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
9639 |
29.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.275 |
72 |
|
[FE]A:202 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
9535 |
28.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.275 |
| Average: |
29.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.275 |
| 24 |
73 |
|
[FE]I:201 |
1 |
1 |
137 |
f |
[FE]G:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
26.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.108 |
| 25 |
74 |
|
[FE]A:202 |
1 |
1 |
137 |
f |
[FE]A:201 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.100 |
| 26 |
75 |
|
J |
3 |
2 |
9696 |
◊ |
J |
-x+1,-y,z |
2_655 |
3 |
2 |
9696 |
19.8 |
0.1 |
0.689 |
0 |
0 |
0 |
0.000 |
| 27 |
76 |
|
F |
2 |
1 |
9506 |
◊ |
F |
-x+1,-y+1,z |
2_665 |
2 |
1 |
9506 |
16.7 |
0.4 |
0.797 |
0 |
0 |
0 |
0.014 |
77 |
|
B |
2 |
2 |
9639 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9641 |
13.9 |
-0.4 |
0.287 |
0 |
0 |
0 |
0.014 |
78 |
|
D |
3 |
2 |
9535 |
◊ |
C |
-y+1,x,z |
3_655 |
3 |
2 |
9656 |
13.0 |
-0.3 |
0.414 |
0 |
0 |
0 |
0.014 |
79 |
|
I |
1 |
1 |
9739 |
◊ |
J |
-y,x,z |
3_555 |
3 |
1 |
9696 |
4.2 |
0.1 |
0.731 |
0 |
0 |
0 |
0.014 |
| Average: |
12.0 |
-0.1 |
0.557 |
0 |
0 |
0 |
0.014 |
| 28 |
80 |
|
C |
2 |
1 |
9656 |
◊ |
C |
-x,-y+1,z |
2_565 |
2 |
1 |
9656 |
12.5 |
-0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 29 |
81 |
|
A |
1 |
1 |
9641 |
◊ |
I |
-y,x,z |
3_555 |
1 |
1 |
9739 |
0.5 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|