## |
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 |
|
M |
404 |
118 |
40415 |
◊ |
L |
x,y,z |
1_555 |
388 |
110 |
19367 |
3804.2 |
-30.5 |
0.269 |
53 |
1 |
0 |
0.685 |
2 |
|
D |
398 |
115 |
40574 |
◊ |
C |
x,y,z |
1_555 |
391 |
112 |
19228 |
3802.7 |
-35.6 |
0.165 |
43 |
2 |
0 |
0.685 |
3 |
|
B |
405 |
115 |
40350 |
◊ |
A |
x,y,z |
1_555 |
390 |
113 |
19264 |
3798.2 |
-33.0 |
0.195 |
43 |
2 |
0 |
0.685 |
4 |
|
I |
401 |
117 |
40357 |
◊ |
H |
x,y,z |
1_555 |
383 |
108 |
19361 |
3764.3 |
-30.6 |
0.243 |
50 |
2 |
0 |
0.685 |
Average: |
3792.3 |
-32.4 |
0.218 |
47 |
2 |
0 |
0.685 |
2 |
5 |
|
M |
306 |
82 |
40415 |
◊ |
D |
x,y,z |
1_555 |
311 |
83 |
40574 |
2848.7 |
-31.0 |
0.198 |
44 |
9 |
0 |
0.608 |
6 |
|
I |
310 |
83 |
40357 |
◊ |
B |
x,y,z |
1_555 |
311 |
85 |
40350 |
2823.9 |
-30.1 |
0.220 |
40 |
9 |
0 |
0.608 |
Average: |
2836.3 |
-30.5 |
0.209 |
42 |
9 |
0 |
0.608 |
3 |
7 |
|
F |
117 |
34 |
8067 |
◊ |
B |
x,y,z |
1_555 |
127 |
35 |
40350 |
1125.4 |
-6.5 |
0.476 |
15 |
3 |
0 |
0.413 |
8 |
|
E |
116 |
35 |
8029 |
◊ |
D |
x,y,z |
1_555 |
124 |
36 |
40574 |
1105.3 |
-7.4 |
0.445 |
13 |
3 |
0 |
0.413 |
9 |
|
N |
119 |
35 |
8213 |
◊ |
M |
x,y,z |
1_555 |
118 |
34 |
40415 |
1083.0 |
-8.0 |
0.474 |
13 |
2 |
0 |
0.413 |
10 |
|
J |
119 |
36 |
8056 |
◊ |
I |
x,y,z |
1_555 |
116 |
35 |
40357 |
1072.0 |
-6.9 |
0.490 |
15 |
2 |
0 |
0.413 |
Average: |
1096.4 |
-7.2 |
0.471 |
14 |
3 |
0 |
0.413 |
4 |
11 |
|
M |
68 |
19 |
40415 |
◊ |
I |
x-1,y,z |
1_455 |
69 |
19 |
40357 |
647.3 |
-10.0 |
0.128 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
N |
61 |
17 |
8213 |
◊ |
B |
-x-1,y-1/2,-z-1 |
2_444 |
34 |
11 |
40350 |
354.6 |
2.1 |
0.853 |
4 |
2 |
0 |
0.000 |
13 |
|
J |
49 |
15 |
8056 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
23 |
9 |
40574 |
273.2 |
2.1 |
0.810 |
3 |
2 |
0 |
0.000 |
Average: |
313.9 |
2.1 |
0.832 |
4 |
2 |
0 |
0.000 |
6 |
14 |
|
[KR0]I:1985 |
26 |
1 |
684 |
◊ |
I |
x,y,z |
1_555 |
42 |
15 |
40357 |
301.4 |
3.7 |
0.251 |
0 |
0 |
0 |
0.000 |
15 |
|
[KR0]M:1985 |
26 |
1 |
679 |
◊ |
M |
x,y,z |
1_555 |
43 |
15 |
40415 |
300.6 |
3.5 |
0.281 |
1 |
0 |
0 |
0.000 |
16 |
|
[KR0]D:1985 |
24 |
1 |
676 |
◊ |
D |
x,y,z |
1_555 |
46 |
15 |
40574 |
300.1 |
3.7 |
0.294 |
0 |
0 |
0 |
0.000 |
17 |
|
[KR0]B:1985 |
25 |
1 |
671 |
◊ |
B |
x,y,z |
1_555 |
45 |
16 |
40350 |
293.2 |
3.4 |
0.311 |
1 |
0 |
0 |
0.000 |
Average: |
298.8 |
3.6 |
0.284 |
1 |
0 |
0 |
0.000 |
7 |
18 |
|
I |
24 |
7 |
40357 |
◊ |
A |
x,y,z |
1_555 |
29 |
8 |
19264 |
249.4 |
-2.4 |
0.351 |
4 |
0 |
0 |
0.036 |
19 |
|
D |
25 |
7 |
40574 |
◊ |
L |
x,y,z |
1_555 |
28 |
8 |
19367 |
248.3 |
-2.2 |
0.389 |
3 |
0 |
0 |
0.036 |
20 |
|
M |
25 |
7 |
40415 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
19228 |
244.1 |
-3.4 |
0.252 |
2 |
0 |
0 |
0.036 |
21 |
|
B |
24 |
6 |
40350 |
◊ |
H |
x,y,z |
1_555 |
27 |
8 |
19361 |
243.3 |
-1.6 |
0.462 |
3 |
0 |
0 |
0.036 |
Average: |
246.3 |
-2.4 |
0.363 |
3 |
0 |
0 |
0.036 |
8 |
22 |
|
D |
24 |
7 |
40574 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
25 |
11 |
8029 |
234.0 |
-0.2 |
0.651 |
2 |
1 |
0 |
0.000 |
23 |
|
B |
23 |
7 |
40350 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
24 |
9 |
8067 |
223.0 |
-0.8 |
0.622 |
2 |
0 |
0 |
0.000 |
Average: |
228.5 |
-0.5 |
0.636 |
2 |
1 |
0 |
0.000 |
9 |
24 |
|
H |
14 |
6 |
19361 |
◊ |
C |
x,y,z |
1_555 |
13 |
6 |
19228 |
128.4 |
-1.4 |
0.350 |
1 |
0 |
0 |
0.000 |
25 |
|
L |
10 |
5 |
19367 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
19264 |
99.7 |
-0.8 |
0.447 |
0 |
0 |
0 |
0.000 |
Average: |
114.1 |
-1.1 |
0.398 |
1 |
0 |
0 |
0.000 |
10 |
26 |
|
[KR0]D:1985 |
9 |
1 |
676 |
f |
M |
x,y,z |
1_555 |
14 |
4 |
40415 |
91.1 |
-0.8 |
0.166 |
0 |
0 |
0 |
0.031 |
27 |
|
[KR0]M:1985 |
5 |
1 |
679 |
f |
D |
x,y,z |
1_555 |
12 |
3 |
40574 |
86.7 |
-0.9 |
0.206 |
0 |
0 |
0 |
0.031 |
28 |
|
[KR0]I:1985 |
8 |
1 |
684 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
40350 |
86.4 |
-1.0 |
0.173 |
0 |
0 |
0 |
0.031 |
29 |
|
[KR0]B:1985 |
8 |
1 |
671 |
f |
I |
x,y,z |
1_555 |
12 |
3 |
40357 |
85.4 |
-0.7 |
0.184 |
0 |
0 |
0 |
0.031 |
Average: |
87.4 |
-0.9 |
0.182 |
0 |
0 |
0 |
0.031 |
11 |
30 |
|
[NA]I:1986 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
9 |
4 |
40357 |
59.0 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.211 |
31 |
|
[NA]M:1986 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
11 |
6 |
40415 |
57.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.211 |
32 |
|
[NA]D:1986 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
40574 |
57.0 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.211 |
33 |
|
[NA]B:1986 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
40350 |
56.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
57.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.211 |
12 |
34 |
|
[KR0]B:1985 |
6 |
1 |
671 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
19264 |
52.9 |
-0.4 |
0.059 |
0 |
0 |
0 |
0.007 |
35 |
|
[KR0]I:1985 |
6 |
1 |
684 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
19361 |
51.3 |
-0.5 |
0.039 |
1 |
0 |
0 |
0.007 |
36 |
|
[KR0]M:1985 |
5 |
1 |
679 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
19367 |
50.8 |
-0.5 |
0.040 |
1 |
0 |
0 |
0.007 |
37 |
|
[KR0]D:1985 |
6 |
1 |
676 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
19228 |
50.1 |
-0.4 |
0.064 |
0 |
0 |
0 |
0.007 |
Average: |
51.3 |
-0.5 |
0.051 |
1 |
0 |
0 |
0.007 |
13 |
38 |
|
[CA]M:1987 |
1 |
1 |
85 |
f |
M |
x,y,z |
1_555 |
8 |
5 |
40415 |
44.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.362 |
39 |
|
[CA]D:1987 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
40574 |
43.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.362 |
40 |
|
[CA]I:1987 |
1 |
1 |
85 |
f |
I |
x,y,z |
1_555 |
8 |
5 |
40357 |
43.9 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.362 |
41 |
|
[CA]B:1987 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
40350 |
43.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.362 |
Average: |
43.9 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.362 |
14 |
42 |
|
[NA]M:1986 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
19367 |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
43 |
|
[NA]I:1986 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
19361 |
42.5 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
44 |
|
[NA]D:1986 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
19228 |
42.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.063 |
45 |
|
[NA]B:1986 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
19264 |
41.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
42.2 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.063 |
15 |
46 |
|
C |
4 |
2 |
19228 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
19264 |
28.3 |
-0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
16 |
47 |
|
A |
1 |
1 |
19264 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
2 |
1 |
8067 |
11.7 |
-0.4 |
0.230 |
0 |
0 |
0 |
0.000 |
17 |
48 |
|
E |
2 |
2 |
8029 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
19228 |
11.3 |
-0.5 |
0.304 |
0 |
0 |
0 |
0.005 |
49 |
|
F |
1 |
1 |
8067 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
19264 |
10.0 |
-0.2 |
0.328 |
0 |
0 |
0 |
0.005 |
50 |
|
J |
1 |
1 |
8056 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
19361 |
7.0 |
0.0 |
0.509 |
0 |
0 |
0 |
0.005 |
51 |
|
N |
2 |
1 |
8213 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
19367 |
5.0 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.005 |
Average: |
8.3 |
-0.2 |
0.407 |
0 |
0 |
0 |
0.005 |
|