| ## |
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 |
|
B |
229 |
59 |
23553 |
◊ |
A |
x,y,z |
1_555 |
233 |
60 |
23265 |
2157.2 |
-15.6 |
0.253 |
22 |
0 |
0 |
0.338 |
2 |
|
D |
224 |
59 |
23394 |
◊ |
C |
x,y,z |
1_555 |
223 |
58 |
23248 |
2152.2 |
-16.8 |
0.188 |
19 |
0 |
0 |
0.338 |
| Average: |
2154.7 |
-16.2 |
0.221 |
21 |
0 |
0 |
0.338 |
| 2 |
3 |
|
C |
108 |
30 |
23248 |
◊ |
B |
x,y,z |
1_555 |
100 |
27 |
23553 |
937.4 |
-4.7 |
0.464 |
8 |
4 |
0 |
0.101 |
4 |
|
D |
98 |
23 |
23394 |
◊ |
A |
x,y,z |
1_555 |
100 |
23 |
23265 |
901.7 |
-5.4 |
0.446 |
11 |
4 |
0 |
0.101 |
| Average: |
919.5 |
-5.1 |
0.455 |
10 |
4 |
0 |
0.101 |
| 3 |
5 |
|
D |
77 |
20 |
23394 |
◊ |
B |
x,y,z |
1_555 |
84 |
23 |
23553 |
761.0 |
-6.7 |
0.271 |
7 |
0 |
0 |
0.105 |
6 |
|
C |
81 |
20 |
23248 |
◊ |
A |
x,y,z |
1_555 |
75 |
21 |
23265 |
719.9 |
-7.3 |
0.231 |
8 |
0 |
0 |
0.105 |
| Average: |
740.5 |
-7.0 |
0.251 |
8 |
0 |
0 |
0.105 |
| 4 |
7 |
|
[NAI]B:1601 |
44 |
1 |
865 |
f |
B |
x,y,z |
1_555 |
78 |
29 |
23553 |
577.5 |
-7.5 |
0.460 |
16 |
0 |
0 |
0.378 |
8 |
|
[NAI]A:601 |
44 |
1 |
860 |
f |
A |
x,y,z |
1_555 |
87 |
31 |
23265 |
572.7 |
-7.8 |
0.468 |
14 |
0 |
0 |
0.378 |
9 |
|
[NAI]C:2601 |
44 |
1 |
859 |
f |
C |
x,y,z |
1_555 |
83 |
30 |
23248 |
571.7 |
-7.3 |
0.500 |
15 |
0 |
0 |
0.378 |
10 |
|
[NAI]D:3601 |
44 |
1 |
863 |
f |
D |
x,y,z |
1_555 |
84 |
29 |
23394 |
567.0 |
-7.9 |
0.436 |
14 |
0 |
0 |
0.378 |
| Average: |
572.2 |
-7.6 |
0.466 |
15 |
0 |
0 |
0.378 |
| 5 |
11 |
|
[NAI]C:2602 |
36 |
1 |
772 |
f |
C |
x,y,z |
1_555 |
49 |
18 |
23248 |
374.4 |
1.3 |
0.760 |
10 |
0 |
0 |
0.042 |
| 6 |
12 |
|
[NAI]B:1602 |
34 |
1 |
756 |
f |
B |
x,y,z |
1_555 |
46 |
16 |
23553 |
369.8 |
1.3 |
0.776 |
14 |
0 |
0 |
0.068 |
13 |
|
[NAI]D:3602 |
32 |
1 |
799 |
f |
D |
x,y,z |
1_555 |
45 |
15 |
23394 |
355.2 |
-1.1 |
0.616 |
9 |
0 |
0 |
0.068 |
| Average: |
362.5 |
0.1 |
0.696 |
12 |
0 |
0 |
0.068 |
| 7 |
14 |
|
[NAI]A:602 |
36 |
1 |
803 |
f |
A |
x,y,z |
1_555 |
44 |
15 |
23265 |
363.2 |
-0.7 |
0.741 |
8 |
0 |
0 |
0.056 |
| 8 |
15 |
|
D |
31 |
12 |
23394 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
38 |
14 |
23248 |
308.4 |
1.9 |
0.813 |
5 |
4 |
0 |
0.000 |
16 |
|
B |
35 |
15 |
23553 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
27 |
10 |
23265 |
264.4 |
1.2 |
0.780 |
6 |
5 |
0 |
0.000 |
| Average: |
286.4 |
1.6 |
0.797 |
6 |
5 |
0 |
0.000 |
| 9 |
17 |
|
D |
31 |
11 |
23394 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
33 |
12 |
23553 |
274.5 |
0.6 |
0.698 |
2 |
2 |
0 |
0.000 |
| 10 |
18 |
|
C |
24 |
8 |
23248 |
◊ |
C |
-x+1,y,-z |
2_655 |
24 |
8 |
23248 |
211.0 |
0.6 |
0.728 |
0 |
2 |
0 |
0.000 |
| 11 |
19 |
|
C |
22 |
7 |
23248 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
27 |
11 |
23265 |
193.7 |
-0.2 |
0.610 |
0 |
1 |
0 |
0.000 |
20 |
|
D |
22 |
7 |
23394 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
7 |
23553 |
186.5 |
0.4 |
0.657 |
1 |
0 |
0 |
0.000 |
| Average: |
190.1 |
0.1 |
0.633 |
1 |
1 |
0 |
0.000 |
| 12 |
21 |
|
[NAI]D:3602 |
15 |
1 |
799 |
◊ |
A |
x,y,z |
1_555 |
26 |
11 |
23265 |
168.7 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.007 |
22 |
|
[NAI]B:1602 |
12 |
1 |
756 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
23248 |
111.6 |
-1.1 |
0.516 |
0 |
0 |
0 |
0.007 |
| Average: |
140.1 |
-0.7 |
0.562 |
0 |
0 |
0 |
0.007 |
| 13 |
23 |
|
[NAI]C:2602 |
16 |
1 |
772 |
◊ |
B |
x,y,z |
1_555 |
22 |
9 |
23553 |
155.8 |
-0.5 |
0.600 |
0 |
0 |
0 |
0.002 |
| 14 |
24 |
|
[NAI]A:602 |
16 |
1 |
803 |
◊ |
D |
x,y,z |
1_555 |
23 |
9 |
23394 |
150.9 |
-1.7 |
0.551 |
0 |
0 |
0 |
0.008 |
| 15 |
25 |
|
[FUM]C:2700 |
8 |
1 |
257 |
◊ |
C |
x,y,z |
1_555 |
26 |
10 |
23248 |
148.1 |
2.7 |
0.003 |
3 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[FUM]A:700 |
8 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
23265 |
147.5 |
2.4 |
0.042 |
3 |
0 |
0 |
0.000 |
27 |
|
[FUM]B:1700 |
8 |
1 |
254 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
23553 |
146.7 |
2.4 |
0.003 |
3 |
0 |
0 |
0.000 |
28 |
|
[FUM]D:3700 |
8 |
1 |
252 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
23394 |
145.2 |
2.5 |
0.003 |
3 |
0 |
0 |
0.000 |
| Average: |
146.5 |
2.5 |
0.016 |
3 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[MLT]D:3701 |
9 |
1 |
252 |
f |
D |
x,y,z |
1_555 |
28 |
14 |
23394 |
123.2 |
0.7 |
0.561 |
8 |
0 |
0 |
0.080 |
30 |
|
[MLT]A:701 |
9 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
27 |
14 |
23265 |
121.5 |
0.6 |
0.564 |
6 |
0 |
0 |
0.080 |
31 |
|
[MLT]B:1701 |
9 |
1 |
250 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
23553 |
117.8 |
0.6 |
0.533 |
8 |
0 |
0 |
0.080 |
32 |
|
[MLT]C:2701 |
9 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
25 |
13 |
23248 |
114.3 |
0.9 |
0.575 |
9 |
0 |
0 |
0.080 |
| Average: |
119.2 |
0.7 |
0.558 |
8 |
0 |
0 |
0.080 |
| 18 |
33 |
|
A |
16 |
5 |
23265 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
14 |
4 |
23248 |
116.2 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.000 |
| 19 |
34 |
|
C |
8 |
3 |
23248 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
2 |
23553 |
75.5 |
0.8 |
0.786 |
1 |
2 |
0 |
0.000 |
| 20 |
35 |
|
[FUM]B:1700 |
8 |
1 |
254 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
23265 |
71.1 |
1.2 |
0.658 |
0 |
0 |
0 |
0.000 |
36 |
|
[FUM]A:700 |
8 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
23553 |
70.1 |
1.2 |
0.670 |
0 |
0 |
0 |
0.000 |
| Average: |
70.6 |
1.2 |
0.664 |
0 |
0 |
0 |
0.000 |
| 21 |
37 |
|
[FUM]D:3700 |
8 |
1 |
252 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
23248 |
70.8 |
1.3 |
0.676 |
0 |
0 |
0 |
0.000 |
| 22 |
38 |
|
[FUM]C:2700 |
8 |
1 |
257 |
f |
D |
x,y,z |
1_555 |
10 |
2 |
23394 |
70.7 |
1.3 |
0.667 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[NAI]B:1601 |
10 |
1 |
865 |
f |
[MLT]B:1701 |
x,y,z |
1_555 |
5 |
1 |
250 |
59.4 |
0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAI]A:601 |
10 |
1 |
860 |
f |
[MLT]A:701 |
x,y,z |
1_555 |
5 |
1 |
253 |
59.2 |
0.2 |
0.614 |
0 |
0 |
0 |
0.000 |
41 |
|
[NAI]C:2601 |
10 |
1 |
859 |
f |
[MLT]C:2701 |
x,y,z |
1_555 |
6 |
1 |
251 |
58.5 |
0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
42 |
|
[NAI]D:3601 |
10 |
1 |
863 |
f |
[MLT]D:3701 |
x,y,z |
1_555 |
6 |
1 |
252 |
58.0 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
| Average: |
58.8 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
| 24 |
43 |
|
[NAI]C:2602 |
5 |
1 |
772 |
◊ |
[NAI]B:1602 |
x,y,z |
1_555 |
10 |
1 |
756 |
53.5 |
-1.2 |
0.453 |
0 |
0 |
0 |
0.006 |
| 25 |
44 |
|
[MN]D:3604 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
23394 |
47.0 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.103 |
45 |
|
[MN]A:604 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
23265 |
46.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.103 |
46 |
|
[MN]B:1604 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
23553 |
45.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.103 |
47 |
|
[MN]C:2604 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
23248 |
45.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| Average: |
45.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.103 |
| 26 |
48 |
|
[NAI]D:3602 |
5 |
1 |
799 |
◊ |
[NAI]A:602 |
x,y,z |
1_555 |
4 |
1 |
803 |
39.8 |
-0.7 |
0.444 |
1 |
0 |
0 |
0.006 |
| 27 |
49 |
|
[MN]B:1604 |
1 |
1 |
123 |
f |
[MLT]B:1701 |
x,y,z |
1_555 |
5 |
1 |
250 |
32.2 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.042 |
50 |
|
[MN]D:3604 |
1 |
1 |
123 |
f |
[MLT]D:3701 |
x,y,z |
1_555 |
5 |
1 |
252 |
32.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.042 |
51 |
|
[MN]A:604 |
1 |
1 |
123 |
f |
[MLT]A:701 |
x,y,z |
1_555 |
5 |
1 |
253 |
31.5 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.042 |
52 |
|
[MN]C:2604 |
1 |
1 |
123 |
f |
[MLT]C:2701 |
x,y,z |
1_555 |
4 |
1 |
251 |
31.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.042 |
| Average: |
31.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 28 |
53 |
|
C |
5 |
2 |
23248 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
3 |
2 |
23553 |
29.7 |
-0.7 |
0.289 |
0 |
0 |
0 |
0.000 |
| 29 |
54 |
|
[NAI]D:3601 |
4 |
1 |
863 |
f |
[MN]D:3604 |
x,y,z |
1_555 |
1 |
1 |
123 |
14.6 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.023 |
55 |
|
[NAI]C:2601 |
5 |
1 |
859 |
f |
[MN]C:2604 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
56 |
|
[NAI]A:601 |
4 |
1 |
860 |
f |
[MN]A:604 |
x,y,z |
1_555 |
1 |
1 |
123 |
13.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
57 |
|
[NAI]B:1601 |
3 |
1 |
865 |
f |
[MN]B:1604 |
x,y,z |
1_555 |
1 |
1 |
123 |
12.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
13.5 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| 30 |
58 |
|
C |
3 |
2 |
23248 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
23394 |
14.5 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
2 |
1 |
23265 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
2 |
23553 |
11.3 |
0.3 |
0.789 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
0.3 |
0.747 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
D |
2 |
2 |
23394 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
23553 |
6.0 |
0.0 |
0.575 |
0 |
0 |
0 |
0.000 |
61 |
|
C |
1 |
1 |
23248 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
23265 |
3.3 |
-0.1 |
0.377 |
0 |
0 |
0 |
0.000 |
| Average: |
4.7 |
-0.0 |
0.476 |
0 |
0 |
0 |
0.000 |
|