| ## |
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 |
|
F |
321 |
74 |
13137 |
◊ |
E |
x,y,z |
1_555 |
323 |
71 |
12812 |
3142.7 |
-38.7 |
0.206 |
44 |
23 |
0 |
0.848 |
2 |
|
C |
313 |
74 |
12987 |
◊ |
B |
x,y,z |
1_555 |
319 |
70 |
13020 |
3138.4 |
-38.6 |
0.193 |
43 |
22 |
0 |
0.848 |
3 |
|
I |
311 |
73 |
12874 |
◊ |
H |
x,y,z |
1_555 |
321 |
71 |
13343 |
3136.8 |
-38.7 |
0.203 |
46 |
22 |
0 |
0.848 |
4 |
|
L |
314 |
72 |
12917 |
◊ |
K |
x,y,z |
1_555 |
315 |
71 |
12863 |
3114.3 |
-38.3 |
0.188 |
44 |
23 |
0 |
0.848 |
| Average: |
3133.1 |
-38.6 |
0.197 |
44 |
23 |
0 |
0.848 |
| 2 |
5 |
|
L |
165 |
41 |
12917 |
◊ |
J |
x,y,z |
1_555 |
163 |
43 |
8144 |
1528.9 |
0.4 |
0.855 |
45 |
19 |
0 |
0.659 |
6 |
|
I |
162 |
42 |
12874 |
◊ |
G |
x,y,z |
1_555 |
160 |
44 |
8099 |
1506.6 |
-0.4 |
0.830 |
45 |
19 |
0 |
0.659 |
7 |
|
F |
165 |
42 |
13137 |
◊ |
D |
x,y,z |
1_555 |
162 |
43 |
8049 |
1501.3 |
-0.6 |
0.848 |
45 |
18 |
0 |
0.659 |
8 |
|
C |
160 |
42 |
12987 |
◊ |
A |
x,y,z |
1_555 |
164 |
43 |
7993 |
1494.5 |
0.0 |
0.852 |
43 |
19 |
0 |
0.659 |
| Average: |
1507.8 |
-0.2 |
0.846 |
45 |
19 |
0 |
0.659 |
| 3 |
9 |
|
H |
147 |
45 |
13343 |
◊ |
E |
x,y,z |
1_555 |
153 |
46 |
12812 |
1463.4 |
-18.6 |
0.500 |
11 |
8 |
0 |
1.000 |
10 |
|
K |
145 |
45 |
12863 |
◊ |
B |
x,y,z |
1_555 |
147 |
46 |
13020 |
1461.8 |
-19.6 |
0.428 |
13 |
8 |
0 |
1.000 |
| Average: |
1462.6 |
-19.1 |
0.464 |
12 |
8 |
0 |
1.000 |
| 4 |
11 |
|
E |
132 |
35 |
12812 |
◊ |
B |
x,y,z |
1_555 |
129 |
35 |
13020 |
1261.5 |
-19.4 |
0.334 |
3 |
6 |
0 |
1.000 |
12 |
|
K |
130 |
35 |
12863 |
◊ |
H |
x,y,z |
1_555 |
129 |
35 |
13343 |
1254.0 |
-19.6 |
0.314 |
6 |
6 |
0 |
1.000 |
| Average: |
1257.8 |
-19.5 |
0.324 |
5 |
6 |
0 |
1.000 |
| 5 |
13 |
|
K |
94 |
26 |
12863 |
◊ |
J |
x,y,z |
1_555 |
110 |
25 |
8144 |
937.0 |
-6.2 |
0.593 |
11 |
6 |
0 |
0.982 |
14 |
|
E |
96 |
26 |
12812 |
◊ |
D |
x,y,z |
1_555 |
113 |
25 |
8049 |
924.5 |
-6.8 |
0.579 |
9 |
6 |
0 |
0.982 |
15 |
|
H |
93 |
26 |
13343 |
◊ |
G |
x,y,z |
1_555 |
111 |
25 |
8099 |
901.8 |
-6.7 |
0.523 |
9 |
6 |
0 |
0.982 |
16 |
|
B |
94 |
26 |
13020 |
◊ |
A |
x,y,z |
1_555 |
108 |
24 |
7993 |
891.9 |
-6.4 |
0.571 |
10 |
6 |
0 |
0.982 |
| Average: |
913.8 |
-6.5 |
0.566 |
10 |
6 |
0 |
0.982 |
| 6 |
17 |
|
H |
59 |
16 |
13343 |
◊ |
D |
x,y,z |
1_555 |
60 |
17 |
8049 |
622.5 |
-6.4 |
0.356 |
5 |
0 |
0 |
0.452 |
18 |
|
E |
55 |
15 |
12812 |
◊ |
G |
x,y,z |
1_555 |
62 |
18 |
8099 |
618.7 |
-6.3 |
0.347 |
6 |
0 |
0 |
0.452 |
19 |
|
K |
58 |
16 |
12863 |
◊ |
A |
x,y,z |
1_555 |
60 |
18 |
7993 |
617.9 |
-6.4 |
0.346 |
6 |
0 |
0 |
0.452 |
20 |
|
B |
58 |
16 |
13020 |
◊ |
J |
x,y,z |
1_555 |
60 |
18 |
8144 |
615.7 |
-6.2 |
0.363 |
6 |
0 |
0 |
0.452 |
| Average: |
618.7 |
-6.4 |
0.353 |
6 |
0 |
0 |
0.452 |
| 7 |
21 |
|
H |
57 |
13 |
13343 |
◊ |
B |
x,y,z |
1_555 |
56 |
13 |
13020 |
569.1 |
-4.4 |
0.716 |
10 |
0 |
0 |
0.238 |
22 |
|
K |
56 |
13 |
12863 |
◊ |
E |
x,y,z |
1_555 |
56 |
13 |
12812 |
568.8 |
-6.0 |
0.598 |
10 |
0 |
0 |
0.238 |
| Average: |
568.9 |
-5.2 |
0.657 |
10 |
0 |
0 |
0.238 |
| 8 |
23 |
|
H |
47 |
12 |
13343 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
45 |
16 |
12917 |
394.3 |
-2.3 |
0.686 |
2 |
2 |
0 |
0.000 |
| 9 |
24 |
|
H |
40 |
10 |
13343 |
◊ |
J |
x,y,z |
1_555 |
45 |
15 |
8144 |
383.9 |
-5.5 |
0.322 |
5 |
0 |
0 |
0.394 |
25 |
|
B |
39 |
9 |
13020 |
◊ |
D |
x,y,z |
1_555 |
44 |
15 |
8049 |
372.4 |
-5.8 |
0.299 |
4 |
0 |
0 |
0.394 |
26 |
|
K |
41 |
10 |
12863 |
◊ |
G |
x,y,z |
1_555 |
40 |
14 |
8099 |
368.2 |
-5.5 |
0.313 |
4 |
0 |
0 |
0.394 |
27 |
|
E |
38 |
9 |
12812 |
◊ |
A |
x,y,z |
1_555 |
44 |
15 |
7993 |
368.1 |
-6.3 |
0.259 |
4 |
0 |
0 |
0.394 |
| Average: |
373.2 |
-5.8 |
0.298 |
4 |
0 |
0 |
0.394 |
| 10 |
28 |
|
C |
34 |
11 |
12987 |
◊ |
K |
x,y,z |
1_555 |
36 |
10 |
12863 |
332.9 |
-3.8 |
0.426 |
1 |
2 |
0 |
0.089 |
29 |
|
I |
34 |
11 |
12874 |
◊ |
E |
x,y,z |
1_555 |
34 |
9 |
12812 |
331.6 |
-3.7 |
0.443 |
1 |
2 |
0 |
0.089 |
30 |
|
F |
34 |
11 |
13137 |
◊ |
H |
x,y,z |
1_555 |
36 |
9 |
13343 |
330.0 |
-3.9 |
0.424 |
1 |
2 |
0 |
0.089 |
31 |
|
L |
32 |
11 |
12917 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
13020 |
329.3 |
-5.9 |
0.229 |
0 |
1 |
0 |
0.089 |
| Average: |
330.9 |
-4.3 |
0.381 |
1 |
2 |
0 |
0.089 |
| 11 |
32 |
|
B |
42 |
10 |
13020 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
38 |
13 |
13137 |
321.3 |
-1.6 |
0.703 |
4 |
3 |
0 |
0.010 |
| 12 |
33 |
|
L |
33 |
9 |
12917 |
◊ |
I |
x,y,z |
1_555 |
32 |
9 |
12874 |
308.6 |
-1.7 |
0.586 |
2 |
0 |
0 |
0.023 |
34 |
|
F |
36 |
9 |
13137 |
◊ |
C |
x,y,z |
1_555 |
32 |
9 |
12987 |
307.2 |
-1.6 |
0.594 |
3 |
0 |
0 |
0.023 |
| Average: |
307.9 |
-1.6 |
0.590 |
3 |
0 |
0 |
0.023 |
| 13 |
35 |
|
I |
27 |
10 |
12874 |
◊ |
L |
-x-1,y-1/2,-z-1/2 |
3_444 |
28 |
11 |
12917 |
246.1 |
-0.6 |
0.666 |
3 |
0 |
0 |
0.000 |
| 14 |
36 |
|
G |
28 |
9 |
8099 |
◊ |
D |
x,y,z |
1_555 |
29 |
8 |
8049 |
226.2 |
-3.6 |
0.298 |
0 |
1 |
0 |
0.030 |
37 |
|
J |
20 |
5 |
8144 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
7993 |
168.9 |
-3.2 |
0.255 |
0 |
0 |
0 |
0.030 |
| Average: |
197.5 |
-3.4 |
0.277 |
0 |
1 |
0 |
0.030 |
| 15 |
38 |
|
C |
23 |
9 |
12987 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
20 |
8 |
13137 |
198.6 |
-0.2 |
0.675 |
1 |
1 |
0 |
0.002 |
| 16 |
39 |
|
I |
18 |
5 |
12874 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
7 |
12987 |
183.5 |
-1.6 |
0.502 |
2 |
3 |
0 |
0.000 |
| 17 |
40 |
|
C |
17 |
6 |
12987 |
◊ |
[BGC]F:5001 |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
1 |
308 |
141.1 |
1.8 |
0.406 |
1 |
0 |
0 |
0.000 |
| 18 |
41 |
|
C |
19 |
5 |
12987 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
12812 |
133.9 |
0.1 |
0.651 |
1 |
0 |
0 |
0.006 |
42 |
|
I |
19 |
5 |
12874 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
12863 |
133.9 |
0.1 |
0.635 |
1 |
0 |
0 |
0.006 |
43 |
|
F |
18 |
4 |
13137 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13020 |
125.8 |
0.1 |
0.655 |
1 |
0 |
0 |
0.006 |
44 |
|
L |
19 |
4 |
12917 |
◊ |
H |
x,y,z |
1_555 |
12 |
4 |
13343 |
125.3 |
0.1 |
0.651 |
1 |
0 |
0 |
0.006 |
| Average: |
129.7 |
0.1 |
0.648 |
1 |
0 |
0 |
0.006 |
| 19 |
45 |
|
C |
17 |
7 |
12987 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
8049 |
132.6 |
-1.1 |
0.318 |
1 |
0 |
0 |
0.025 |
46 |
|
I |
18 |
7 |
12874 |
◊ |
J |
x,y,z |
1_555 |
9 |
4 |
8144 |
130.9 |
-1.2 |
0.305 |
1 |
0 |
0 |
0.025 |
47 |
|
L |
16 |
7 |
12917 |
◊ |
G |
x,y,z |
1_555 |
10 |
4 |
8099 |
130.3 |
-1.1 |
0.327 |
1 |
0 |
0 |
0.025 |
48 |
|
F |
16 |
6 |
13137 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
7993 |
129.2 |
-1.1 |
0.336 |
1 |
0 |
0 |
0.025 |
| Average: |
130.7 |
-1.1 |
0.321 |
1 |
0 |
0 |
0.025 |
| 20 |
49 |
|
[FRU]B:6002 |
8 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
13020 |
119.8 |
1.3 |
0.471 |
0 |
0 |
0 |
0.000 |
| 21 |
50 |
|
[FRU]L:6003 |
10 |
1 |
306 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
13343 |
107.4 |
1.4 |
0.406 |
1 |
0 |
0 |
0.000 |
| 22 |
51 |
|
[FRU]L:6001 |
8 |
1 |
316 |
◊ |
L |
x,y,z |
1_555 |
9 |
3 |
12917 |
96.7 |
1.7 |
0.383 |
1 |
0 |
0 |
0.000 |
| 23 |
52 |
|
I |
8 |
2 |
12874 |
◊ |
K |
-x-1,y-1/2,-z-1/2 |
3_444 |
6 |
2 |
12863 |
69.7 |
1.0 |
0.837 |
2 |
4 |
0 |
0.000 |
| 24 |
53 |
|
[FRU]L:6001 |
7 |
1 |
316 |
f |
J |
x,y,z |
1_555 |
7 |
4 |
8144 |
68.3 |
1.7 |
0.329 |
2 |
0 |
0 |
0.000 |
| 25 |
54 |
|
[TLA]I:4003 |
5 |
1 |
268 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8099 |
57.8 |
-1.1 |
0.403 |
0 |
0 |
0 |
0.029 |
55 |
|
[TLA]F:4002 |
5 |
1 |
269 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
8049 |
57.0 |
-1.0 |
0.398 |
0 |
0 |
0 |
0.029 |
56 |
|
[TLA]L:4004 |
5 |
1 |
269 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
8144 |
56.8 |
-1.0 |
0.413 |
0 |
0 |
0 |
0.029 |
57 |
|
[TLA]C:4001 |
5 |
1 |
270 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
7993 |
56.5 |
-0.9 |
0.412 |
0 |
0 |
0 |
0.029 |
| Average: |
57.0 |
-1.0 |
0.407 |
0 |
0 |
0 |
0.029 |
| 26 |
58 |
|
[BGC]F:5001 |
9 |
1 |
308 |
◊ |
F |
x,y,z |
1_555 |
10 |
3 |
13137 |
54.7 |
1.3 |
0.293 |
0 |
0 |
0 |
0.000 |
| 27 |
59 |
|
[3CO]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
12987 |
52.6 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.299 |
60 |
|
[3CO]F:301 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
4 |
3 |
13137 |
52.4 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.299 |
61 |
|
[3CO]I:301 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
2 |
2 |
12874 |
52.1 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.299 |
62 |
|
[3CO]L:301 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
3 |
3 |
12917 |
51.9 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.299 |
| Average: |
52.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.299 |
| 28 |
63 |
|
[FRU]L:6003 |
6 |
1 |
306 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
12917 |
50.9 |
1.4 |
0.410 |
3 |
0 |
0 |
0.000 |
| 29 |
64 |
|
[FRU]B:6002 |
7 |
1 |
306 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
13137 |
42.7 |
1.5 |
0.394 |
1 |
0 |
0 |
0.000 |
| 30 |
65 |
|
[TLA]L:4004 |
3 |
1 |
269 |
f |
L |
x,y,z |
1_555 |
2 |
1 |
12917 |
42.0 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.037 |
66 |
|
[TLA]C:4001 |
3 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
12987 |
41.7 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.037 |
67 |
|
[TLA]I:4003 |
3 |
1 |
268 |
f |
I |
x,y,z |
1_555 |
2 |
1 |
12874 |
41.2 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.037 |
68 |
|
[TLA]F:4002 |
3 |
1 |
269 |
f |
F |
x,y,z |
1_555 |
2 |
1 |
13137 |
40.7 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.037 |
| Average: |
41.4 |
-0.4 |
0.533 |
2 |
0 |
0 |
0.037 |
| 31 |
69 |
|
B |
3 |
2 |
13020 |
f |
[BGC]F:5001 |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
308 |
38.6 |
0.9 |
0.498 |
1 |
0 |
0 |
0.000 |
| 32 |
70 |
|
[FRU]L:6003 |
3 |
1 |
306 |
◊ |
K |
x,y,z |
1_555 |
5 |
3 |
12863 |
36.1 |
0.6 |
0.499 |
2 |
0 |
0 |
0.023 |
| 33 |
71 |
|
[FRU]L:6003 |
3 |
1 |
306 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
8144 |
32.2 |
-0.7 |
0.221 |
0 |
0 |
0 |
0.059 |
| 34 |
72 |
|
[FRU]B:6002 |
4 |
1 |
306 |
f |
D |
x,y,z |
1_555 |
6 |
3 |
8049 |
30.0 |
0.1 |
0.347 |
0 |
0 |
0 |
0.000 |
| 35 |
73 |
|
L |
2 |
1 |
12917 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
7993 |
28.7 |
-0.9 |
0.117 |
0 |
0 |
0 |
0.006 |
74 |
|
F |
2 |
1 |
13137 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8099 |
28.3 |
-0.9 |
0.157 |
0 |
0 |
0 |
0.006 |
75 |
|
I |
2 |
1 |
12874 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
8049 |
27.3 |
-0.9 |
0.131 |
0 |
0 |
0 |
0.006 |
76 |
|
C |
2 |
1 |
12987 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
8144 |
27.3 |
-0.9 |
0.133 |
0 |
0 |
0 |
0.006 |
| Average: |
27.9 |
-0.9 |
0.135 |
0 |
0 |
0 |
0.006 |
| 36 |
77 |
|
C |
4 |
4 |
12987 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
3 |
2 |
8049 |
17.2 |
-0.5 |
0.434 |
0 |
0 |
0 |
0.000 |
| 37 |
78 |
|
J |
2 |
1 |
8144 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
13137 |
16.2 |
0.2 |
0.699 |
0 |
0 |
0 |
0.000 |
| 38 |
79 |
|
I |
2 |
2 |
12874 |
◊ |
J |
-x-1,y-1/2,-z-1/2 |
3_444 |
2 |
2 |
8144 |
15.4 |
-0.5 |
0.315 |
0 |
0 |
0 |
0.000 |
| 39 |
80 |
|
[FRU]B:6002 |
2 |
1 |
306 |
◊ |
E |
x,y,z |
1_555 |
2 |
2 |
12812 |
12.9 |
0.3 |
0.463 |
0 |
0 |
0 |
0.000 |
| 40 |
81 |
|
[3CO]I:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
13343 |
11.5 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
82 |
|
[3CO]L:301 |
1 |
1 |
125 |
◊ |
K |
x,y,z |
1_555 |
4 |
2 |
12863 |
11.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
83 |
|
[3CO]F:301 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
12812 |
11.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
84 |
|
[3CO]C:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
13020 |
10.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
11.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 41 |
85 |
|
[3CO]L:301 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
8144 |
9.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
86 |
|
[3CO]I:301 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
8099 |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
87 |
|
[3CO]F:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8049 |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
88 |
|
[3CO]C:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7993 |
9.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| Average: |
9.6 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.019 |
| 42 |
89 |
|
C |
3 |
1 |
12987 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
12812 |
9.6 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
|