## |
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 |
119 |
32 |
15470 |
◊ |
C |
x,y,z |
1_555 |
118 |
30 |
15129 |
1150.1 |
-17.7 |
0.051 |
9 |
7 |
0 |
0.216 |
2 |
|
B |
120 |
33 |
15598 |
◊ |
A |
x,y,z |
1_555 |
120 |
31 |
14966 |
1131.7 |
-16.7 |
0.071 |
11 |
7 |
0 |
0.216 |
Average: |
1140.9 |
-17.2 |
0.061 |
10 |
7 |
0 |
0.216 |
2 |
3 |
|
D |
70 |
22 |
15470 |
◊ |
B |
x,y,z |
1_555 |
70 |
22 |
15598 |
665.9 |
-10.8 |
0.120 |
3 |
0 |
0 |
0.052 |
3 |
4 |
|
C |
54 |
14 |
15129 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
65 |
14 |
15598 |
552.7 |
-1.3 |
0.690 |
8 |
0 |
0 |
0.000 |
4 |
5 |
|
D |
40 |
9 |
15470 |
◊ |
A |
-x,y,-z |
2_555 |
53 |
13 |
14966 |
419.9 |
-4.1 |
0.357 |
5 |
0 |
0 |
0.027 |
5 |
6 |
|
A |
54 |
13 |
14966 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
48 |
13 |
14966 |
416.3 |
-1.2 |
0.683 |
5 |
0 |
0 |
0.000 |
6 |
7 |
|
[HYY]B:506 |
29 |
1 |
735 |
f |
B |
x,y,z |
1_555 |
53 |
19 |
15598 |
354.2 |
-13.9 |
0.492 |
4 |
0 |
0 |
0.155 |
8 |
|
[HYY]D:507 |
29 |
1 |
731 |
f |
D |
x,y,z |
1_555 |
52 |
19 |
15470 |
352.6 |
-14.1 |
0.504 |
5 |
0 |
0 |
0.155 |
Average: |
353.4 |
-14.0 |
0.498 |
5 |
0 |
0 |
0.155 |
7 |
9 |
|
C |
30 |
8 |
15129 |
x |
C |
x,y-1,z |
1_545 |
45 |
9 |
15129 |
337.0 |
-1.7 |
0.563 |
3 |
2 |
0 |
0.000 |
8 |
10 |
|
[HYY]B:506 |
25 |
1 |
735 |
◊ |
A |
x,y,z |
1_555 |
44 |
10 |
14966 |
293.9 |
-10.4 |
0.567 |
0 |
0 |
0 |
0.098 |
11 |
|
[HYY]D:507 |
23 |
1 |
731 |
◊ |
C |
x,y,z |
1_555 |
39 |
9 |
15129 |
286.0 |
-10.1 |
0.516 |
0 |
0 |
0 |
0.098 |
Average: |
290.0 |
-10.3 |
0.541 |
0 |
0 |
0 |
0.098 |
9 |
12 |
|
[NAG]C:501 |
11 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
25 |
8 |
15129 |
156.7 |
4.3 |
0.521 |
1 |
0 |
0 |
0.000 |
10 |
13 |
|
[NAG]A:502 |
11 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
20 |
9 |
14966 |
138.5 |
4.1 |
0.511 |
0 |
0 |
0 |
0.000 |
11 |
14 |
|
A |
17 |
6 |
14966 |
◊ |
[MAN]A:505 |
-x+1/2,y-1/2,-z |
4_545 |
9 |
1 |
289 |
122.0 |
1.7 |
0.352 |
1 |
0 |
0 |
0.000 |
12 |
15 |
|
[NAG]C:502 |
9 |
1 |
354 |
cf |
C |
x,y,z |
1_555 |
14 |
6 |
15129 |
109.7 |
2.5 |
0.409 |
1 |
0 |
0 |
0.000 |
13 |
16 |
|
[NAG]A:501 |
10 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
14 |
6 |
14966 |
109.0 |
2.3 |
0.373 |
1 |
0 |
0 |
0.000 |
14 |
17 |
|
[NAG]D:502 |
8 |
1 |
349 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
15470 |
104.5 |
2.8 |
0.547 |
1 |
0 |
0 |
0.000 |
15 |
18 |
|
A |
10 |
2 |
14966 |
◊ |
B |
x,y-1,z |
1_545 |
9 |
5 |
15598 |
101.3 |
0.3 |
0.586 |
2 |
0 |
0 |
0.000 |
16 |
19 |
|
A |
15 |
5 |
14966 |
◊ |
[BMA]A:504 |
-x+1/2,y-1/2,-z |
4_545 |
9 |
1 |
291 |
100.7 |
0.7 |
0.215 |
1 |
0 |
0 |
0.000 |
17 |
20 |
|
[NA]C:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
15129 |
79.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.114 |
21 |
|
[NA]A:507 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
14966 |
77.9 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.114 |
Average: |
78.9 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.114 |
18 |
22 |
|
[CL]D:504 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
15470 |
76.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.117 |
23 |
|
[CL]B:503 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
7 |
15598 |
74.7 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
75.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.117 |
19 |
24 |
|
[CL]C:504 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15129 |
71.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.094 |
20 |
25 |
|
[CL]D:503 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
15129 |
69.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.093 |
26 |
|
[CL]A:508 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
14966 |
61.5 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
65.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.093 |
21 |
27 |
|
[CL]B:505 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
15598 |
68.6 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.093 |
22 |
28 |
|
[NAG]A:503 |
9 |
1 |
364 |
cf |
[NAG]A:502 |
x,y,z |
1_555 |
6 |
1 |
361 |
67.8 |
1.4 |
0.090 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
A |
10 |
3 |
14966 |
◊ |
[NAG]A:503 |
-x+1/2,y-1/2,-z |
4_545 |
8 |
1 |
364 |
66.4 |
1.2 |
0.278 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
A |
7 |
3 |
14966 |
◊ |
[NAG]A:502 |
-x+1/2,y-1/2,-z |
4_545 |
7 |
1 |
361 |
66.4 |
1.9 |
0.337 |
2 |
0 |
0 |
0.000 |
25 |
31 |
|
[NAG]B:502 |
7 |
1 |
348 |
cf |
B |
x,y,z |
1_555 |
6 |
2 |
15598 |
64.4 |
2.0 |
0.452 |
0 |
0 |
0 |
0.000 |
26 |
32 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
15598 |
63.7 |
-9.3 |
0.000 |
0 |
0 |
0 |
0.087 |
27 |
33 |
|
[NAG]B:501 |
9 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
9 |
3 |
15598 |
62.9 |
1.8 |
0.302 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[BMA]A:504 |
6 |
1 |
291 |
cf |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
364 |
62.8 |
1.3 |
0.124 |
1 |
0 |
0 |
0.000 |
29 |
35 |
|
[CL]D:506 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
15470 |
60.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.070 |
30 |
36 |
|
[CL]A:509 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
14966 |
59.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.092 |
31 |
37 |
|
[MAN]A:506 |
6 |
1 |
290 |
cf |
[BMA]A:504 |
x,y,z |
1_555 |
5 |
1 |
291 |
56.9 |
2.5 |
0.237 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[CL]D:505 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
15470 |
55.7 |
-7.8 |
0.000 |
0 |
0 |
0 |
0.074 |
33 |
39 |
|
[CL]A:510 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
14966 |
54.3 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.071 |
34 |
40 |
|
[MAN]A:505 |
6 |
1 |
289 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
5 |
1 |
364 |
53.7 |
1.6 |
0.173 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
A |
6 |
2 |
14966 |
◊ |
[MAN]A:506 |
-x+1/2,y-1/2,-z |
4_545 |
6 |
1 |
290 |
53.3 |
1.0 |
0.333 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[MAN]A:505 |
5 |
1 |
289 |
cf |
[BMA]A:504 |
x,y,z |
1_555 |
3 |
1 |
291 |
50.5 |
2.2 |
0.318 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[CL]D:505 |
1 |
1 |
125 |
◊ |
A |
-x,y,-z |
2_555 |
7 |
2 |
14966 |
41.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.023 |
38 |
44 |
|
[CL]A:510 |
1 |
1 |
125 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
7 |
4 |
14966 |
40.9 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[CL]D:503 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15470 |
32.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
|
[CL]A:508 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15598 |
29.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
30.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.037 |
40 |
47 |
|
[CL]B:504 |
1 |
1 |
125 |
f |
[NAG]B:501 |
x,y,z |
1_555 |
4 |
1 |
362 |
29.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.022 |
41 |
48 |
|
[NAG]C:502 |
3 |
1 |
354 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
5 |
2 |
15598 |
25.8 |
0.2 |
0.355 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
A |
4 |
1 |
14966 |
◊ |
[CL]A:509 |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
125 |
25.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[NAG]A:501 |
4 |
1 |
362 |
◊ |
[MAN]A:505 |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
289 |
23.3 |
0.6 |
0.233 |
1 |
0 |
0 |
0.000 |
44 |
51 |
|
B |
2 |
1 |
15598 |
x |
B |
x,y-1,z |
1_545 |
1 |
1 |
15598 |
22.6 |
-0.7 |
0.115 |
0 |
0 |
0 |
0.000 |
45 |
52 |
|
[NAG]A:503 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
14966 |
19.8 |
0.4 |
0.409 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[CL]A:508 |
1 |
1 |
125 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
15598 |
18.8 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[MAN]A:506 |
2 |
1 |
290 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
3 |
14966 |
18.3 |
-0.1 |
0.295 |
0 |
0 |
0 |
0.000 |
48 |
55 |
|
[CL]D:506 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
15129 |
16.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.012 |
49 |
56 |
|
[CL]B:505 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
14966 |
13.7 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.015 |
50 |
57 |
|
[MAN]A:506 |
1 |
1 |
290 |
f |
[NAG]A:503 |
x,y,z |
1_555 |
1 |
1 |
364 |
4.8 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|