| ## |
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 |
|
E |
654 |
154 |
22094 |
◊ |
D |
x,y,z |
1_555 |
644 |
152 |
24053 |
5997.9 |
-63.4 |
0.153 |
84 |
22 |
0 |
0.403 |
2 |
|
B |
643 |
155 |
22064 |
◊ |
A |
x,y,z |
1_555 |
639 |
152 |
23853 |
5937.3 |
-65.9 |
0.090 |
79 |
21 |
0 |
0.403 |
| Average: |
5967.6 |
-64.7 |
0.121 |
82 |
22 |
0 |
0.403 |
| 2 |
3 |
|
E |
336 |
79 |
22094 |
◊ |
A |
x,y,z |
1_555 |
303 |
65 |
23853 |
2984.2 |
-37.7 |
0.091 |
37 |
8 |
0 |
0.314 |
4 |
|
B |
335 |
76 |
22064 |
◊ |
D |
x,y,z |
1_555 |
299 |
64 |
24053 |
2961.3 |
-37.7 |
0.081 |
36 |
6 |
0 |
0.314 |
| Average: |
2972.8 |
-37.7 |
0.086 |
37 |
7 |
0 |
0.314 |
| 3 |
5 |
|
F |
102 |
26 |
6091 |
◊ |
D |
x,y,z |
1_555 |
116 |
37 |
24053 |
958.2 |
-7.9 |
0.558 |
8 |
2 |
0 |
0.185 |
6 |
|
C |
102 |
28 |
6037 |
◊ |
A |
x,y,z |
1_555 |
118 |
37 |
23853 |
935.5 |
-11.3 |
0.325 |
8 |
1 |
0 |
0.185 |
| Average: |
946.8 |
-9.6 |
0.441 |
8 |
2 |
0 |
0.185 |
| 4 |
7 |
|
D |
86 |
26 |
24053 |
◊ |
A |
x,y,z |
1_555 |
84 |
25 |
23853 |
813.4 |
-3.4 |
0.632 |
9 |
9 |
0 |
0.014 |
| 5 |
8 |
|
[SRM]E:583 |
48 |
1 |
1060 |
f |
E |
x,y,z |
1_555 |
71 |
27 |
22094 |
561.7 |
-11.5 |
0.675 |
20 |
0 |
0 |
0.116 |
9 |
|
[SRM]B:581 |
50 |
1 |
1065 |
f |
B |
x,y,z |
1_555 |
73 |
27 |
22064 |
560.2 |
-11.2 |
0.722 |
19 |
0 |
0 |
0.116 |
| Average: |
560.9 |
-11.4 |
0.699 |
20 |
0 |
0 |
0.116 |
| 6 |
10 |
|
E |
52 |
15 |
22094 |
◊ |
B |
x,y,z |
1_555 |
53 |
15 |
22064 |
527.9 |
-2.4 |
0.644 |
9 |
4 |
0 |
0.011 |
| 7 |
11 |
|
[SRM]D:584 |
54 |
1 |
1051 |
f |
D |
x,y,z |
1_555 |
66 |
24 |
24053 |
494.9 |
-9.6 |
0.903 |
19 |
0 |
0 |
0.229 |
12 |
|
[SRM]A:582 |
52 |
1 |
1055 |
f |
A |
x,y,z |
1_555 |
66 |
25 |
23853 |
490.7 |
-8.3 |
0.887 |
18 |
0 |
0 |
0.229 |
| Average: |
492.8 |
-9.0 |
0.895 |
19 |
0 |
0 |
0.229 |
| 8 |
13 |
|
F |
50 |
21 |
6091 |
◊ |
E |
x,y,z |
1_555 |
47 |
16 |
22094 |
463.3 |
-6.4 |
0.306 |
2 |
0 |
0 |
0.026 |
14 |
|
C |
47 |
18 |
6037 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
22064 |
434.9 |
-6.1 |
0.313 |
3 |
0 |
0 |
0.026 |
| Average: |
449.1 |
-6.3 |
0.310 |
3 |
0 |
0 |
0.026 |
| 9 |
15 |
|
D |
41 |
12 |
24053 |
x |
D |
-x,y-1/2,-z+1 |
2_546 |
46 |
11 |
24053 |
343.1 |
0.5 |
0.727 |
3 |
3 |
0 |
0.000 |
| 10 |
16 |
|
[SRM]E:583 |
45 |
1 |
1060 |
◊ |
D |
x,y,z |
1_555 |
49 |
18 |
24053 |
322.3 |
-7.0 |
0.582 |
4 |
0 |
0 |
0.034 |
17 |
|
[SRM]B:581 |
45 |
1 |
1065 |
◊ |
A |
x,y,z |
1_555 |
48 |
18 |
23853 |
321.4 |
-6.6 |
0.642 |
4 |
0 |
0 |
0.034 |
| Average: |
321.9 |
-6.8 |
0.612 |
4 |
0 |
0 |
0.034 |
| 11 |
18 |
|
[SRM]A:582 |
43 |
1 |
1055 |
◊ |
B |
x,y,z |
1_555 |
38 |
16 |
22064 |
310.2 |
-10.4 |
0.296 |
4 |
0 |
0 |
0.047 |
19 |
|
[SRM]D:584 |
43 |
1 |
1051 |
◊ |
E |
x,y,z |
1_555 |
41 |
16 |
22094 |
305.0 |
-10.2 |
0.361 |
3 |
0 |
0 |
0.047 |
| Average: |
307.6 |
-10.3 |
0.328 |
4 |
0 |
0 |
0.047 |
| 12 |
20 |
|
E |
33 |
11 |
22094 |
◊ |
B |
x-1,y,z |
1_455 |
31 |
8 |
22064 |
286.5 |
-0.8 |
0.681 |
2 |
1 |
0 |
0.000 |
| 13 |
21 |
|
F |
28 |
8 |
6091 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
32 |
9 |
22064 |
275.9 |
-2.0 |
0.542 |
5 |
3 |
0 |
0.000 |
| 14 |
22 |
|
E |
24 |
9 |
22094 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
26 |
9 |
6091 |
249.5 |
-2.9 |
0.440 |
2 |
0 |
0 |
0.000 |
| 15 |
23 |
|
E |
24 |
8 |
22094 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
25 |
9 |
24053 |
239.6 |
1.1 |
0.819 |
2 |
10 |
0 |
0.000 |
| 16 |
24 |
|
[SF4]A:801 |
8 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
30 |
16 |
23853 |
192.3 |
-22.1 |
0.450 |
1 |
0 |
0 |
0.277 |
| 17 |
25 |
|
[SF4]D:805 |
8 |
1 |
316 |
f |
D |
x,y,z |
1_555 |
31 |
16 |
24053 |
187.8 |
-21.8 |
0.380 |
1 |
0 |
0 |
0.281 |
| 18 |
26 |
|
[SF4]E:808 |
8 |
1 |
313 |
f |
E |
x,y,z |
1_555 |
24 |
12 |
22094 |
187.0 |
-21.9 |
0.428 |
0 |
0 |
0 |
0.125 |
| 19 |
27 |
|
[SF4]B:804 |
8 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
22064 |
186.0 |
-21.9 |
0.492 |
0 |
0 |
0 |
0.124 |
| 20 |
28 |
|
[SF4]D:806 |
8 |
1 |
319 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
24053 |
164.0 |
-18.4 |
0.306 |
2 |
0 |
0 |
0.244 |
| 21 |
29 |
|
[SF4]A:802 |
8 |
1 |
319 |
f |
A |
x,y,z |
1_555 |
28 |
12 |
23853 |
163.5 |
-18.4 |
0.300 |
2 |
0 |
0 |
0.237 |
| 22 |
30 |
|
A |
19 |
6 |
23853 |
x |
A |
x,y-1,z |
1_545 |
16 |
5 |
23853 |
156.4 |
-1.8 |
0.385 |
0 |
1 |
0 |
0.000 |
| 23 |
31 |
|
[SF4]E:807 |
7 |
1 |
313 |
f |
E |
x,y,z |
1_555 |
21 |
11 |
22094 |
148.9 |
-15.0 |
0.337 |
3 |
0 |
0 |
0.093 |
| 24 |
32 |
|
E |
13 |
7 |
22094 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
6 |
23853 |
145.8 |
-0.4 |
0.560 |
1 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[SF4]B:803 |
7 |
1 |
310 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
22064 |
144.0 |
-15.0 |
0.410 |
3 |
0 |
0 |
0.093 |
| 26 |
34 |
|
C |
16 |
6 |
6037 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
17 |
6 |
6037 |
132.0 |
-0.8 |
0.617 |
1 |
0 |
0 |
0.000 |
| 27 |
35 |
|
A |
10 |
3 |
23853 |
◊ |
D |
x,y-1,z |
1_545 |
14 |
6 |
24053 |
111.8 |
-0.7 |
0.554 |
2 |
0 |
0 |
0.000 |
| 28 |
36 |
|
A |
10 |
4 |
23853 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
6 |
22064 |
83.7 |
0.6 |
0.658 |
0 |
1 |
0 |
0.000 |
| 29 |
37 |
|
A |
9 |
4 |
23853 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
22064 |
82.0 |
-0.9 |
0.513 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
[SRM]D:584 |
10 |
1 |
1051 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
6091 |
76.8 |
-3.4 |
0.110 |
0 |
0 |
0 |
0.044 |
39 |
|
[SRM]A:582 |
11 |
1 |
1055 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
6037 |
76.6 |
-2.7 |
0.234 |
2 |
0 |
0 |
0.044 |
| Average: |
76.7 |
-3.0 |
0.172 |
1 |
0 |
0 |
0.044 |
| 31 |
40 |
|
[SO3]D:6575 |
4 |
1 |
173 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
24053 |
74.8 |
-1.1 |
0.366 |
1 |
0 |
0 |
0.019 |
41 |
|
[SO3]A:6573 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
23853 |
71.9 |
-1.1 |
0.368 |
1 |
0 |
0 |
0.019 |
| Average: |
73.3 |
-1.1 |
0.367 |
1 |
0 |
0 |
0.019 |
| 32 |
42 |
|
[SRM]A:582 |
22 |
1 |
1055 |
◊ |
[SF4]B:803 |
x,y,z |
1_555 |
4 |
1 |
310 |
72.8 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.025 |
| 33 |
43 |
|
[SRM]D:584 |
21 |
1 |
1051 |
◊ |
[SF4]E:807 |
x,y,z |
1_555 |
4 |
1 |
313 |
72.0 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.025 |
| 34 |
44 |
|
[SRM]B:581 |
24 |
1 |
1065 |
◊ |
[SF4]A:802 |
x,y,z |
1_555 |
4 |
1 |
319 |
71.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| 35 |
45 |
|
[SRM]E:583 |
24 |
1 |
1060 |
◊ |
[SF4]D:806 |
x,y,z |
1_555 |
4 |
1 |
319 |
69.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.022 |
| 36 |
46 |
|
[SO3]A:6573 |
3 |
1 |
172 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
6037 |
64.3 |
0.9 |
0.713 |
1 |
0 |
0 |
0.003 |
47 |
|
[SO3]D:6575 |
3 |
1 |
173 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
6091 |
59.7 |
0.7 |
0.696 |
2 |
0 |
0 |
0.003 |
| Average: |
62.0 |
0.8 |
0.704 |
2 |
0 |
0 |
0.003 |
| 37 |
48 |
|
D |
8 |
3 |
24053 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
5 |
2 |
22094 |
62.5 |
0.2 |
0.694 |
1 |
2 |
0 |
0.000 |
| 38 |
49 |
|
[SO3]D:6576 |
4 |
1 |
174 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
24053 |
59.7 |
1.8 |
0.811 |
5 |
0 |
0 |
0.005 |
| 39 |
50 |
|
[SO3]A:6574 |
4 |
1 |
174 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
23853 |
58.9 |
1.8 |
0.816 |
5 |
0 |
0 |
0.005 |
| 40 |
51 |
|
[SRM]D:584 |
24 |
1 |
1051 |
f |
[SO3]D:6576 |
x,y,z |
1_555 |
4 |
1 |
174 |
55.9 |
-1.8 |
0.510 |
0 |
0 |
0 |
0.023 |
| 41 |
52 |
|
[SRM]A:582 |
22 |
1 |
1055 |
f |
[SO3]A:6574 |
x,y,z |
1_555 |
4 |
1 |
174 |
54.7 |
-1.8 |
0.509 |
0 |
0 |
0 |
0.023 |
| 42 |
53 |
|
E |
4 |
2 |
22094 |
◊ |
D |
x,y-1,z |
1_545 |
3 |
1 |
24053 |
47.6 |
0.7 |
0.815 |
1 |
2 |
0 |
0.000 |
| 43 |
54 |
|
A |
3 |
1 |
23853 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
22094 |
32.2 |
0.6 |
0.833 |
1 |
2 |
0 |
0.000 |
| 44 |
55 |
|
D |
4 |
2 |
24053 |
◊ |
F |
x,y-1,z |
1_545 |
2 |
2 |
6091 |
28.4 |
0.7 |
0.549 |
0 |
0 |
0 |
0.000 |
| 45 |
56 |
|
A |
5 |
2 |
23853 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
7 |
2 |
6091 |
25.8 |
-0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
| 46 |
57 |
|
F |
4 |
2 |
6091 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23853 |
25.6 |
0.5 |
0.814 |
0 |
0 |
0 |
0.000 |
58 |
|
C |
3 |
1 |
6037 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
24053 |
9.2 |
0.1 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
17.4 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
| 47 |
59 |
|
D |
4 |
2 |
24053 |
◊ |
A |
x-1,y,z |
1_455 |
4 |
3 |
23853 |
24.4 |
2.2 |
0.950 |
0 |
0 |
0 |
0.000 |
| 48 |
60 |
|
[SO3]A:6574 |
3 |
1 |
174 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
6037 |
23.5 |
-0.8 |
0.064 |
1 |
0 |
0 |
0.016 |
| 49 |
61 |
|
[SO3]D:6576 |
2 |
1 |
174 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6091 |
18.2 |
-0.3 |
0.367 |
0 |
0 |
0 |
0.004 |
| 50 |
62 |
|
D |
2 |
1 |
24053 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
22064 |
15.7 |
-0.5 |
0.294 |
0 |
0 |
0 |
0.000 |
| 51 |
63 |
|
[SF4]D:805 |
2 |
1 |
316 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
22094 |
12.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.004 |
| 52 |
64 |
|
[SO3]A:6574 |
1 |
1 |
174 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22064 |
11.8 |
-1.0 |
0.108 |
0 |
0 |
0 |
0.004 |
| 53 |
65 |
|
[SO3]D:6576 |
2 |
1 |
174 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22094 |
11.3 |
-0.9 |
0.085 |
0 |
0 |
0 |
0.004 |
| 54 |
66 |
|
[SF4]A:801 |
2 |
1 |
323 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
22064 |
11.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
| 55 |
67 |
|
[SO3]D:6575 |
3 |
1 |
173 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23853 |
10.4 |
0.2 |
0.696 |
0 |
0 |
0 |
0.000 |
68 |
|
[SO3]A:6573 |
3 |
1 |
172 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24053 |
8.8 |
0.2 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
| 56 |
69 |
|
[SF4]E:807 |
1 |
1 |
313 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6091 |
8.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.003 |
| 57 |
70 |
|
D |
1 |
1 |
24053 |
x |
D |
x,y-1,z |
1_545 |
1 |
1 |
24053 |
6.2 |
0.5 |
0.894 |
0 |
0 |
0 |
0.000 |
| 58 |
71 |
|
F |
2 |
1 |
6091 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
2 |
24053 |
3.7 |
-0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
| 59 |
72 |
|
[SF4]E:807 |
1 |
1 |
313 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24053 |
0.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 60 |
73 |
|
[SO3]D:6576 |
1 |
1 |
174 |
◊ |
[SF4]E:807 |
x,y,z |
1_555 |
1 |
1 |
313 |
0.7 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
74 |
|
[SO3]D:6575 |
1 |
1 |
173 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22094 |
0.7 |
-0.0 |
0.385 |
0 |
0 |
0 |
0.000 |
75 |
|
[SO3]A:6573 |
1 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22064 |
0.1 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
| Average: |
0.4 |
-0.0 |
0.395 |
0 |
0 |
0 |
0.000 |
| 62 |
76 |
|
[SF4]E:808 |
1 |
1 |
313 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
23853 |
0.6 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 63 |
77 |
|
[SO3]A:6574 |
1 |
1 |
174 |
◊ |
[SF4]B:803 |
x,y,z |
1_555 |
1 |
1 |
310 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| 64 |
78 |
|
[SF4]A:801 |
1 |
1 |
323 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
22094 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| 65 |
79 |
|
E |
1 |
1 |
22094 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
24053 |
0.1 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
|