## |
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 |
89 |
26 |
10679 |
◊ |
C |
x-y+1,x+2,z+1/3 |
6_675 |
90 |
27 |
10753 |
891.6 |
0.8 |
0.758 |
6 |
14 |
0 |
0.000 |
2 |
|
B |
92 |
28 |
10676 |
◊ |
A |
x,y,z |
1_555 |
86 |
26 |
10819 |
881.2 |
0.1 |
0.719 |
10 |
14 |
0 |
0.000 |
Average: |
886.4 |
0.4 |
0.738 |
8 |
14 |
0 |
0.000 |
2 |
3 |
|
C |
84 |
29 |
10753 |
◊ |
C |
-x-1,-y+2,z |
4_475 |
84 |
29 |
10753 |
729.3 |
-6.0 |
0.308 |
0 |
0 |
0 |
0.046 |
4 |
|
D |
87 |
29 |
10679 |
◊ |
D |
-x,-y+3,z |
4_585 |
87 |
28 |
10679 |
722.5 |
-4.7 |
0.403 |
0 |
0 |
0 |
0.046 |
5 |
|
B |
82 |
28 |
10676 |
◊ |
B |
-x,-y+2,z |
4_575 |
83 |
28 |
10676 |
717.3 |
-5.6 |
0.332 |
0 |
0 |
0 |
0.046 |
6 |
|
A |
84 |
29 |
10819 |
◊ |
A |
-x,-y+3,z |
4_585 |
84 |
29 |
10819 |
697.0 |
-3.8 |
0.436 |
0 |
0 |
0 |
0.046 |
Average: |
716.5 |
-5.0 |
0.370 |
0 |
0 |
0 |
0.046 |
3 |
7 |
|
D |
68 |
16 |
10679 |
◊ |
B |
x-y+1,x+1,z+1/3 |
6_665 |
56 |
15 |
10676 |
530.0 |
-2.7 |
0.474 |
2 |
0 |
0 |
0.000 |
8 |
|
C |
57 |
15 |
10753 |
◊ |
B |
-x,-y+2,z |
4_575 |
66 |
15 |
10676 |
523.9 |
-2.0 |
0.506 |
1 |
0 |
0 |
0.000 |
9 |
|
C |
64 |
14 |
10753 |
◊ |
A |
x,y,z |
1_555 |
60 |
15 |
10819 |
519.7 |
-0.5 |
0.603 |
2 |
0 |
0 |
0.000 |
10 |
|
A |
62 |
14 |
10819 |
◊ |
D |
-y+1,x-y+3,z-1/3 |
2_684 |
58 |
15 |
10679 |
516.7 |
-1.4 |
0.576 |
1 |
0 |
0 |
0.000 |
Average: |
522.6 |
-1.6 |
0.540 |
2 |
0 |
0 |
0.000 |
4 |
11 |
|
[IW8]D:1402 |
31 |
1 |
699 |
f |
D |
x,y,z |
1_555 |
61 |
20 |
10679 |
457.4 |
-3.1 |
0.225 |
2 |
0 |
0 |
0.073 |
12 |
|
[IW8]B:1402 |
32 |
1 |
698 |
f |
B |
x,y,z |
1_555 |
64 |
21 |
10676 |
455.6 |
-3.9 |
0.163 |
2 |
0 |
0 |
0.073 |
13 |
|
[IW8]A:1402 |
32 |
1 |
692 |
f |
A |
x,y,z |
1_555 |
60 |
20 |
10819 |
452.0 |
-3.5 |
0.181 |
2 |
0 |
0 |
0.073 |
14 |
|
[IW8]C:1402 |
32 |
1 |
699 |
f |
C |
x,y,z |
1_555 |
60 |
20 |
10753 |
451.9 |
-3.8 |
0.173 |
2 |
0 |
0 |
0.073 |
Average: |
454.3 |
-3.6 |
0.186 |
2 |
0 |
0 |
0.073 |
5 |
15 |
|
D |
44 |
15 |
10679 |
◊ |
A |
x,y,z |
1_555 |
40 |
15 |
10819 |
361.2 |
1.1 |
0.729 |
4 |
0 |
0 |
0.000 |
6 |
16 |
|
C |
29 |
9 |
10753 |
◊ |
B |
-y+1,x-y+2,z-1/3 |
2_674 |
28 |
9 |
10676 |
268.7 |
-0.6 |
0.585 |
0 |
0 |
0 |
0.000 |
7 |
17 |
|
[IW8]B:1402 |
7 |
1 |
698 |
◊ |
B |
-x,-y+2,z |
4_575 |
15 |
5 |
10676 |
111.9 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.020 |
18 |
|
[IW8]C:1402 |
7 |
1 |
699 |
◊ |
C |
-x-1,-y+2,z |
4_475 |
14 |
5 |
10753 |
111.4 |
-1.1 |
0.286 |
0 |
0 |
0 |
0.020 |
19 |
|
[IW8]A:1402 |
7 |
1 |
692 |
◊ |
A |
-x,-y+3,z |
4_585 |
16 |
5 |
10819 |
111.2 |
-1.2 |
0.297 |
0 |
0 |
0 |
0.020 |
20 |
|
[IW8]D:1402 |
7 |
1 |
699 |
◊ |
D |
-x,-y+3,z |
4_585 |
16 |
5 |
10679 |
110.8 |
-1.2 |
0.286 |
0 |
0 |
0 |
0.020 |
Average: |
111.4 |
-1.0 |
0.323 |
0 |
0 |
0 |
0.020 |
8 |
21 |
|
D |
11 |
4 |
10679 |
◊ |
A |
-x,-y+3,z |
4_585 |
10 |
4 |
10819 |
86.0 |
-1.1 |
0.399 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
[CL]A:1404 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
10819 |
72.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.182 |
23 |
|
[CL]D:1404 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
10679 |
72.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.182 |
24 |
|
[CL]C:1404 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
10753 |
70.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.182 |
25 |
|
[CL]B:1405 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
10676 |
66.9 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.182 |
Average: |
70.6 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.182 |
10 |
26 |
|
[CL]B:1407 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
10676 |
71.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.132 |
27 |
|
[CL]D:1407 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
17 |
8 |
10679 |
71.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.132 |
Average: |
71.5 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.132 |
11 |
28 |
|
[CL]C:1403 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
10753 |
69.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.167 |
29 |
|
[CL]A:1406 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
10819 |
69.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.167 |
30 |
|
D |
11 |
5 |
10679 |
f |
[CL]C:1407 |
-y+1,x-y+3,z+2/3 |
2_685 |
1 |
1 |
125 |
68.9 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.167 |
31 |
|
[CL]B:1404 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
10676 |
68.5 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.167 |
Average: |
69.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.167 |
12 |
32 |
|
[CL]B:1408 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
10676 |
64.2 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.142 |
33 |
|
[CL]C:1408 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
10753 |
63.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.142 |
34 |
|
[CL]D:1408 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
10679 |
63.4 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.142 |
Average: |
63.8 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.142 |
13 |
35 |
|
[CL]B:1406 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
10676 |
58.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.134 |
36 |
|
[CL]D:1405 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
10679 |
58.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.134 |
37 |
|
[CL]A:1407 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10819 |
58.2 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.134 |
38 |
|
[CL]C:1405 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
10753 |
58.1 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.134 |
Average: |
58.3 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.134 |
14 |
39 |
|
[CL]A:1403 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
10819 |
54.8 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.121 |
15 |
40 |
|
[CL]D:1403 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
10679 |
53.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.093 |
16 |
41 |
|
[CL]C:1406 |
1 |
1 |
125 |
◊ |
C |
-x-1,-y+2,z |
4_475 |
5 |
3 |
10753 |
53.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.093 |
42 |
|
[CL]B:1403 |
1 |
1 |
125 |
◊ |
B |
-x,-y+2,z |
4_575 |
5 |
3 |
10676 |
52.8 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.093 |
43 |
|
[CL]D:1406 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
10679 |
51.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.093 |
44 |
|
[CL]A:1405 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
10819 |
50.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
52.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.093 |
17 |
45 |
|
[CL]A:1405 |
1 |
1 |
125 |
f |
A |
-x,-y+3,z |
4_585 |
8 |
4 |
10819 |
53.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.109 |
46 |
|
[CL]D:1406 |
1 |
1 |
125 |
f |
D |
-x,-y+3,z |
4_585 |
10 |
4 |
10679 |
50.1 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.109 |
47 |
|
[CL]B:1403 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
10676 |
48.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.109 |
48 |
|
[CL]C:1406 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
10753 |
47.8 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.109 |
Average: |
50.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.109 |
18 |
49 |
|
[CL]D:1403 |
1 |
1 |
125 |
◊ |
B |
x-y+1,x+1,z+1/3 |
6_665 |
4 |
2 |
10676 |
38.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
50 |
|
[CL]B:1406 |
1 |
1 |
125 |
◊ |
B |
-x,-y+2,z |
4_575 |
5 |
1 |
10676 |
31.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.056 |
51 |
|
[CL]C:1405 |
1 |
1 |
125 |
◊ |
C |
-x-1,-y+2,z |
4_475 |
7 |
1 |
10753 |
31.1 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.056 |
52 |
|
[CL]D:1405 |
1 |
1 |
125 |
◊ |
D |
-x,-y+3,z |
4_585 |
6 |
1 |
10679 |
30.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.056 |
53 |
|
[CL]A:1407 |
1 |
1 |
125 |
◊ |
A |
-x,-y+3,z |
4_585 |
6 |
1 |
10819 |
30.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
31.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.056 |
20 |
54 |
|
D |
5 |
1 |
10679 |
◊ |
[CL]B:1408 |
x-y+1,x+1,z+1/3 |
6_665 |
1 |
1 |
125 |
31.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
A |
5 |
1 |
10819 |
◊ |
[CL]D:1408 |
-y+1,x-y+3,z-1/3 |
2_684 |
1 |
1 |
125 |
31.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
|
[CL]C:1408 |
1 |
1 |
125 |
◊ |
B |
-x,-y+2,z |
4_575 |
5 |
1 |
10676 |
30.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.000 |
21 |
57 |
|
[CL]D:1407 |
1 |
1 |
125 |
◊ |
C |
x-y+1,x+2,z+1/3 |
6_675 |
4 |
2 |
10753 |
30.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
|
[CL]B:1407 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
10819 |
29.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
22 |
59 |
|
[CL]A:1403 |
1 |
1 |
125 |
◊ |
D |
-y+1,x-y+3,z-1/3 |
2_684 |
3 |
2 |
10679 |
24.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
23 |
60 |
|
C |
1 |
1 |
10753 |
x |
D |
x-y+1,x+1,z-2/3 |
6_664 |
1 |
1 |
10679 |
24.2 |
0.6 |
0.301 |
0 |
0 |
0 |
0.000 |
61 |
|
B |
1 |
1 |
10676 |
x |
B |
x-y+1,x+1,z+1/3 |
6_665 |
1 |
1 |
10676 |
24.1 |
0.5 |
0.303 |
0 |
0 |
0 |
0.000 |
Average: |
24.2 |
0.6 |
0.302 |
0 |
0 |
0 |
0.000 |
24 |
62 |
|
D |
2 |
1 |
10679 |
x |
C |
-y+1,x-y+3,z+2/3 |
2_685 |
2 |
1 |
10753 |
20.4 |
0.2 |
0.445 |
0 |
0 |
0 |
0.000 |
63 |
|
B |
3 |
2 |
10676 |
x |
B |
-y+1,x-y+2,z-1/3 |
2_674 |
6 |
2 |
10676 |
18.8 |
-0.4 |
0.427 |
0 |
0 |
0 |
0.000 |
Average: |
19.6 |
-0.1 |
0.436 |
0 |
0 |
0 |
0.000 |
25 |
64 |
|
[CL]C:1404 |
1 |
1 |
125 |
◊ |
B |
-y+1,x-y+2,z-1/3 |
2_674 |
1 |
1 |
10676 |
12.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
|
C |
1 |
1 |
10753 |
◊ |
[CL]B:1405 |
-y+1,x-y+2,z-1/3 |
2_674 |
1 |
1 |
125 |
6.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
66 |
|
[CL]D:1405 |
1 |
1 |
125 |
f |
[IW8]D:1402 |
x,y,z |
1_555 |
3 |
1 |
699 |
11.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.021 |
67 |
|
[CL]A:1407 |
1 |
1 |
125 |
f |
[IW8]A:1402 |
x,y,z |
1_555 |
3 |
1 |
692 |
11.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.021 |
68 |
|
[CL]C:1405 |
1 |
1 |
125 |
f |
[IW8]C:1402 |
x,y,z |
1_555 |
3 |
1 |
699 |
10.7 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
69 |
|
[CL]B:1406 |
1 |
1 |
125 |
f |
[IW8]B:1402 |
x,y,z |
1_555 |
3 |
1 |
698 |
10.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.021 |
Average: |
10.9 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.021 |
27 |
70 |
|
A |
3 |
1 |
10819 |
x |
B |
x-y+1,x+1,z+1/3 |
6_665 |
1 |
1 |
10676 |
9.3 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
71 |
|
D |
3 |
1 |
10679 |
x |
D |
-y+1,x-y+3,z-1/3 |
2_684 |
1 |
1 |
10679 |
7.8 |
-0.0 |
0.626 |
0 |
0 |
0 |
0.000 |
Average: |
8.5 |
-0.0 |
0.617 |
0 |
0 |
0 |
0.000 |
28 |
72 |
|
[CL]A:1404 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
10679 |
5.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[CL]D:1404 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10819 |
2.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
3.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
|