| ## |
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 |
|
D |
264 |
74 |
23173 |
◊ |
C |
x,y,z |
1_555 |
254 |
71 |
22671 |
2473.9 |
-20.7 |
0.399 |
28 |
16 |
0 |
0.609 |
2 |
|
E |
281 |
79 |
23357 |
◊ |
D |
-x,-y,z |
2_555 |
238 |
69 |
23173 |
2431.3 |
-21.1 |
0.388 |
24 |
15 |
0 |
0.609 |
3 |
|
E |
245 |
70 |
23357 |
◊ |
A |
x,y,z |
1_555 |
255 |
75 |
23331 |
2427.2 |
-20.7 |
0.383 |
25 |
16 |
0 |
0.609 |
4 |
|
C |
265 |
75 |
22671 |
◊ |
B |
x,y,z |
1_555 |
238 |
70 |
22978 |
2400.7 |
-21.7 |
0.329 |
26 |
16 |
0 |
0.609 |
5 |
|
B |
260 |
73 |
22978 |
◊ |
A |
x,y,z |
1_555 |
241 |
70 |
23331 |
2385.2 |
-21.4 |
0.350 |
28 |
15 |
0 |
0.609 |
| Average: |
2423.7 |
-21.1 |
0.370 |
26 |
16 |
0 |
0.609 |
| 2 |
6 |
|
R |
118 |
11 |
10543 |
◊ |
B |
x,y,z |
1_555 |
123 |
40 |
22978 |
1049.1 |
-8.4 |
0.885 |
20 |
0 |
0 |
0.044 |
| 3 |
7 |
|
R |
111 |
10 |
10543 |
◊ |
E |
x,y,z |
1_555 |
125 |
40 |
23357 |
1039.1 |
-6.1 |
0.909 |
15 |
0 |
0 |
0.033 |
| 4 |
8 |
|
R |
107 |
10 |
10543 |
◊ |
A |
x,y,z |
1_555 |
124 |
41 |
23331 |
1026.4 |
-6.5 |
0.897 |
20 |
0 |
0 |
0.039 |
| 5 |
9 |
|
R |
110 |
11 |
10543 |
◊ |
C |
x,y,z |
1_555 |
123 |
39 |
22671 |
1025.4 |
-7.4 |
0.887 |
14 |
0 |
0 |
0.035 |
| 6 |
10 |
|
R |
114 |
10 |
10543 |
◊ |
D |
x,y,z |
1_555 |
119 |
38 |
23173 |
1016.9 |
-6.8 |
0.902 |
17 |
0 |
0 |
0.037 |
| 7 |
11 |
|
E |
37 |
8 |
23357 |
◊ |
C |
-x,-y,z |
2_555 |
34 |
8 |
22671 |
341.3 |
-6.5 |
0.125 |
3 |
0 |
0 |
0.139 |
12 |
|
D |
34 |
8 |
23173 |
◊ |
B |
x,y,z |
1_555 |
32 |
9 |
22978 |
332.0 |
-6.4 |
0.108 |
4 |
0 |
0 |
0.139 |
13 |
|
C |
34 |
8 |
22671 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
23331 |
324.0 |
-6.5 |
0.113 |
3 |
0 |
0 |
0.139 |
14 |
|
D |
34 |
8 |
23173 |
◊ |
A |
-x,-y,z |
2_555 |
33 |
8 |
23331 |
320.3 |
-6.5 |
0.121 |
3 |
0 |
0 |
0.139 |
15 |
|
E |
31 |
8 |
23357 |
◊ |
B |
x,y,z |
1_555 |
32 |
8 |
22978 |
317.3 |
-6.5 |
0.098 |
4 |
0 |
0 |
0.139 |
| Average: |
327.0 |
-6.5 |
0.113 |
3 |
0 |
0 |
0.139 |
| 8 |
16 |
|
A |
31 |
8 |
23331 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
32 |
12 |
22671 |
306.6 |
-0.8 |
0.670 |
3 |
2 |
0 |
0.000 |
| 9 |
17 |
|
B |
34 |
15 |
22978 |
◊ |
D |
x-1/2,-y+1/2,-z+1 |
4_456 |
40 |
18 |
23173 |
298.3 |
-1.4 |
0.633 |
6 |
1 |
0 |
0.000 |
| 10 |
18 |
|
R |
35 |
4 |
10543 |
◊ |
R |
-x,-y,z |
2_555 |
34 |
4 |
10543 |
290.9 |
-3.8 |
0.768 |
2 |
0 |
0 |
0.006 |
| 11 |
19 |
|
D |
36 |
10 |
23173 |
◊ |
E |
-x,-y,z-1 |
2_554 |
24 |
9 |
23357 |
281.2 |
0.1 |
0.738 |
4 |
0 |
0 |
0.000 |
20 |
|
E |
36 |
11 |
23357 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
8 |
23331 |
262.4 |
0.3 |
0.773 |
2 |
0 |
0 |
0.000 |
21 |
|
A |
34 |
9 |
23331 |
◊ |
B |
x,y,z-1 |
1_554 |
22 |
7 |
22978 |
239.3 |
0.3 |
0.754 |
3 |
0 |
0 |
0.000 |
22 |
|
B |
29 |
8 |
22978 |
◊ |
C |
x,y,z-1 |
1_554 |
24 |
7 |
22671 |
235.3 |
-0.3 |
0.698 |
1 |
0 |
0 |
0.000 |
23 |
|
C |
31 |
8 |
22671 |
◊ |
D |
x,y,z-1 |
1_554 |
22 |
7 |
23173 |
232.5 |
0.1 |
0.737 |
2 |
0 |
0 |
0.000 |
| Average: |
250.1 |
0.1 |
0.740 |
2 |
0 |
0 |
0.000 |
| 12 |
24 |
|
E |
22 |
7 |
23357 |
x |
E |
x,y,z-1 |
1_554 |
22 |
8 |
23357 |
160.4 |
-0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
19 |
6 |
23331 |
x |
A |
x,y,z-1 |
1_554 |
20 |
8 |
23331 |
153.6 |
-0.3 |
0.654 |
1 |
1 |
0 |
0.000 |
26 |
|
D |
13 |
5 |
23173 |
x |
D |
x,y,z-1 |
1_554 |
17 |
6 |
23173 |
121.3 |
1.5 |
0.833 |
1 |
1 |
0 |
0.000 |
27 |
|
B |
14 |
5 |
22978 |
x |
B |
x,y,z-1 |
1_554 |
14 |
6 |
22978 |
102.2 |
1.1 |
0.784 |
1 |
1 |
0 |
0.000 |
28 |
|
C |
6 |
3 |
22671 |
x |
C |
x,y,z-1 |
1_554 |
9 |
4 |
22671 |
49.2 |
1.0 |
0.831 |
1 |
1 |
0 |
0.000 |
| Average: |
117.4 |
0.6 |
0.759 |
1 |
1 |
0 |
0.000 |
| 13 |
29 |
|
[IUM]R:540 |
1 |
1 |
134 |
f |
R |
x,y,z |
1_555 |
10 |
4 |
10543 |
65.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 14 |
30 |
|
[IUM]R:538 |
1 |
1 |
134 |
f |
R |
x,y,z |
1_555 |
13 |
4 |
10543 |
64.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.019 |
| 15 |
31 |
|
[IUM]D:532 |
1 |
1 |
134 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
23173 |
63.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.068 |
32 |
|
[IUM]E:534 |
1 |
1 |
134 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
23357 |
63.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.068 |
33 |
|
[IUM]A:522 |
1 |
1 |
134 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
23331 |
63.3 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.068 |
34 |
|
[IUM]C:529 |
1 |
1 |
134 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
22671 |
62.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.068 |
35 |
|
[IUM]B:526 |
1 |
1 |
134 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
22978 |
62.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| Average: |
63.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.068 |
| 16 |
36 |
|
[IUM]R:537 |
1 |
1 |
134 |
f |
R |
x,y,z |
1_555 |
14 |
4 |
10543 |
63.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 17 |
37 |
|
[IUM]R:536 |
1 |
1 |
134 |
f |
R |
x,y,z |
1_555 |
11 |
4 |
10543 |
62.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 18 |
38 |
|
[IUM]R:539 |
1 |
1 |
134 |
f |
R |
x,y,z |
1_555 |
13 |
4 |
10543 |
59.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.022 |
| 19 |
39 |
|
[IUM]D:531 |
1 |
1 |
134 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
23173 |
55.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[IUM]A:521 |
1 |
1 |
134 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
23331 |
53.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
|
[IUM]B:525 |
1 |
1 |
134 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
22978 |
51.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
|
[IUM]C:528 |
1 |
1 |
134 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
22671 |
49.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
|
[IUM]E:533 |
1 |
1 |
134 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
23357 |
48.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
51.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
| 20 |
44 |
|
[IUM]D:531 |
1 |
1 |
134 |
f |
D |
x,y,z-1 |
1_554 |
8 |
2 |
23173 |
50.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.057 |
45 |
|
[IUM]C:528 |
1 |
1 |
134 |
f |
C |
x,y,z-1 |
1_554 |
7 |
2 |
22671 |
50.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.057 |
46 |
|
[IUM]B:525 |
1 |
1 |
134 |
f |
B |
x,y,z-1 |
1_554 |
7 |
2 |
22978 |
49.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.057 |
47 |
|
[IUM]A:521 |
1 |
1 |
134 |
f |
A |
x,y,z-1 |
1_554 |
7 |
2 |
23331 |
49.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.057 |
48 |
|
[IUM]E:533 |
1 |
1 |
134 |
f |
E |
x,y,z-1 |
1_554 |
7 |
2 |
23357 |
48.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
49.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.057 |
| 21 |
49 |
|
[IUM]B:526 |
1 |
1 |
134 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
22671 |
49.8 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.046 |
50 |
|
[IUM]C:529 |
1 |
1 |
134 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
23173 |
49.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
51 |
|
[IUM]D:532 |
1 |
1 |
134 |
◊ |
E |
-x,-y,z |
2_555 |
7 |
2 |
23357 |
49.3 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
52 |
|
[IUM]E:534 |
1 |
1 |
134 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
23331 |
48.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
53 |
|
[IUM]A:522 |
1 |
1 |
134 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
22978 |
48.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| Average: |
49.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.046 |
| 22 |
54 |
|
[IUM]B:527 |
1 |
1 |
134 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
22978 |
46.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.040 |
55 |
|
[IUM]E:535 |
1 |
1 |
134 |
◊ |
D |
-x,-y,z |
2_555 |
8 |
3 |
23173 |
45.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.040 |
56 |
|
[IUM]D:530 |
1 |
1 |
134 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
22671 |
44.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
57 |
|
[IUM]B:524 |
1 |
1 |
134 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
23331 |
42.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.040 |
58 |
|
[IUM]A:523 |
1 |
1 |
134 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
23357 |
41.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.040 |
| Average: |
44.2 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.040 |
| 23 |
59 |
|
R |
6 |
1 |
10543 |
◊ |
E |
-x,-y,z |
2_555 |
5 |
4 |
23357 |
41.8 |
-1.4 |
0.500 |
0 |
0 |
0 |
0.004 |
| 24 |
60 |
|
[IUM]B:524 |
1 |
1 |
134 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
22978 |
41.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
61 |
|
[IUM]E:535 |
1 |
1 |
134 |
f |
E |
x,y,z |
1_555 |
4 |
1 |
23357 |
41.1 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
62 |
|
[IUM]A:523 |
1 |
1 |
134 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
23331 |
39.6 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
63 |
|
[IUM]D:530 |
1 |
1 |
134 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
23173 |
37.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.037 |
64 |
|
[IUM]B:527 |
1 |
1 |
134 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
22671 |
3.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.037 |
| Average: |
32.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.037 |
| 25 |
65 |
|
E |
4 |
3 |
23357 |
◊ |
C |
x-1/2,-y+1/2,-z+2 |
4_457 |
3 |
1 |
22671 |
26.3 |
-0.4 |
0.421 |
0 |
0 |
0 |
0.000 |
| 26 |
66 |
|
D |
2 |
1 |
23173 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
22671 |
24.4 |
0.9 |
0.907 |
1 |
1 |
0 |
0.000 |
67 |
|
A |
1 |
1 |
23331 |
◊ |
E |
x,y,z-1 |
1_554 |
2 |
1 |
23357 |
24.2 |
1.0 |
0.944 |
1 |
1 |
0 |
0.000 |
68 |
|
C |
1 |
1 |
22671 |
◊ |
B |
x,y,z-1 |
1_554 |
2 |
1 |
22978 |
23.5 |
1.0 |
0.942 |
1 |
1 |
0 |
0.000 |
69 |
|
B |
1 |
1 |
22978 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
23331 |
22.7 |
1.0 |
0.940 |
1 |
1 |
0 |
0.000 |
70 |
|
E |
1 |
1 |
23357 |
◊ |
D |
-x,-y,z-1 |
2_554 |
3 |
2 |
23173 |
21.2 |
1.0 |
0.931 |
1 |
1 |
0 |
0.000 |
| Average: |
23.2 |
1.0 |
0.933 |
1 |
1 |
0 |
0.000 |
| 27 |
71 |
|
[IUM]R:536 |
1 |
1 |
134 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
23173 |
20.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
72 |
|
[IUM]R:540 |
1 |
1 |
134 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
23357 |
20.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
|
[IUM]R:538 |
1 |
1 |
134 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
22978 |
20.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
74 |
|
[IUM]R:537 |
1 |
1 |
134 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
22671 |
20.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
75 |
|
[IUM]R:539 |
1 |
1 |
134 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
23331 |
19.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| Average: |
20.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.006 |
| 28 |
76 |
|
R |
1 |
1 |
10543 |
◊ |
D |
-x,-y,z |
2_555 |
3 |
1 |
23173 |
18.7 |
0.6 |
0.792 |
0 |
0 |
0 |
0.000 |
| 29 |
77 |
|
[IUM]C:528 |
1 |
1 |
134 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
23173 |
9.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.003 |
78 |
|
[IUM]B:525 |
1 |
1 |
134 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
22671 |
8.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
79 |
|
[IUM]A:521 |
1 |
1 |
134 |
◊ |
B |
x,y,z-1 |
1_554 |
1 |
1 |
22978 |
6.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
80 |
|
[IUM]E:533 |
1 |
1 |
134 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
23331 |
5.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
81 |
|
[IUM]D:531 |
1 |
1 |
134 |
◊ |
E |
-x,-y,z-1 |
2_554 |
1 |
1 |
23357 |
2.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| Average: |
6.4 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.003 |
| 30 |
82 |
|
D |
3 |
2 |
23173 |
◊ |
[IUM]E:535 |
-x,-y,z-1 |
2_554 |
1 |
1 |
134 |
8.5 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
83 |
|
B |
1 |
1 |
22978 |
◊ |
[IUM]B:527 |
x,y,z-1 |
1_554 |
1 |
1 |
134 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
4.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|