| ## |
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 |
|
A |
129 |
39 |
14332 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
127 |
39 |
14240 |
1146.5 |
-5.3 |
0.367 |
11 |
1 |
0 |
0.043 |
2 |
|
D |
113 |
36 |
14238 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
120 |
38 |
14314 |
1122.1 |
0.4 |
0.687 |
20 |
4 |
0 |
0.043 |
| Average: |
1134.3 |
-2.5 |
0.527 |
16 |
3 |
0 |
0.043 |
| 2 |
3 |
|
I |
42 |
5 |
849 |
◊ |
A |
x,y,z |
1_555 |
69 |
26 |
14332 |
552.4 |
-7.1 |
0.579 |
13 |
0 |
0 |
1.000 |
4 |
|
G |
40 |
5 |
841 |
◊ |
F |
x,y,z |
1_555 |
67 |
26 |
14314 |
552.3 |
-6.7 |
0.588 |
13 |
0 |
0 |
1.000 |
5 |
|
E |
44 |
5 |
902 |
◊ |
D |
x,y,z |
1_555 |
70 |
27 |
14238 |
543.0 |
-7.0 |
0.465 |
13 |
0 |
0 |
1.000 |
6 |
|
C |
41 |
5 |
849 |
◊ |
B |
x,y,z |
1_555 |
66 |
26 |
14240 |
540.9 |
-7.0 |
0.565 |
13 |
0 |
0 |
1.000 |
| Average: |
547.2 |
-7.0 |
0.549 |
13 |
0 |
0 |
1.000 |
| 3 |
7 |
|
A |
51 |
19 |
14332 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
54 |
20 |
14314 |
485.6 |
0.7 |
0.619 |
8 |
1 |
0 |
0.000 |
8 |
|
A |
54 |
19 |
14332 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
54 |
20 |
14238 |
473.7 |
0.1 |
0.553 |
10 |
0 |
0 |
0.000 |
9 |
|
D |
51 |
19 |
14238 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
52 |
21 |
14240 |
466.1 |
-0.3 |
0.510 |
6 |
0 |
0 |
0.000 |
| Average: |
475.1 |
0.2 |
0.561 |
8 |
0 |
0 |
0.000 |
| 4 |
10 |
|
B |
42 |
20 |
14240 |
◊ |
F |
x-1/2,-y+5/2,-z+1 |
4_476 |
38 |
11 |
14314 |
331.6 |
-0.7 |
0.534 |
2 |
0 |
0 |
0.000 |
| 5 |
11 |
|
B |
41 |
14 |
14240 |
x |
B |
x-1/2,-y+3/2,-z |
4_465 |
35 |
13 |
14240 |
309.4 |
-0.4 |
0.574 |
2 |
0 |
0 |
0.000 |
12 |
|
D |
37 |
11 |
14238 |
x |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
32 |
13 |
14238 |
289.3 |
-0.1 |
0.601 |
2 |
0 |
0 |
0.000 |
13 |
|
A |
35 |
14 |
14332 |
x |
A |
x-1/2,-y+1/2,-z |
4_455 |
30 |
11 |
14332 |
253.4 |
-0.9 |
0.499 |
2 |
0 |
0 |
0.000 |
14 |
|
F |
34 |
13 |
14314 |
x |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
31 |
12 |
14314 |
239.1 |
-0.9 |
0.489 |
1 |
0 |
0 |
0.000 |
| Average: |
272.8 |
-0.6 |
0.541 |
2 |
0 |
0 |
0.000 |
| 6 |
15 |
|
B |
29 |
10 |
14240 |
◊ |
D |
-x+3/2,-y+2,z-1/2 |
2_674 |
29 |
12 |
14238 |
242.1 |
-0.1 |
0.602 |
1 |
0 |
0 |
0.000 |
16 |
|
A |
25 |
11 |
14332 |
◊ |
D |
x,y-1,z-1 |
1_544 |
19 |
9 |
14238 |
187.6 |
0.0 |
0.595 |
1 |
0 |
0 |
0.000 |
17 |
|
A |
11 |
5 |
14332 |
◊ |
F |
-x+3/2,-y+2,z-1/2 |
2_674 |
18 |
7 |
14314 |
108.5 |
0.1 |
0.590 |
1 |
0 |
0 |
0.000 |
| Average: |
179.4 |
0.0 |
0.596 |
1 |
0 |
0 |
0.000 |
| 7 |
18 |
|
A |
18 |
8 |
14332 |
◊ |
F |
x-1,y-1,z-1 |
1_444 |
26 |
11 |
14314 |
224.5 |
0.5 |
0.666 |
4 |
3 |
0 |
0.000 |
19 |
|
A |
21 |
8 |
14332 |
◊ |
D |
-x+1/2,-y+1,z-1/2 |
2_564 |
16 |
7 |
14238 |
184.4 |
0.8 |
0.718 |
2 |
3 |
0 |
0.000 |
20 |
|
B |
24 |
10 |
14240 |
◊ |
F |
-x+3/2,-y+2,z-1/2 |
2_674 |
19 |
8 |
14314 |
175.2 |
2.2 |
0.838 |
4 |
3 |
0 |
0.000 |
21 |
|
B |
15 |
7 |
14240 |
◊ |
D |
x,y,z-1 |
1_554 |
19 |
7 |
14238 |
138.9 |
1.9 |
0.811 |
2 |
3 |
0 |
0.000 |
| Average: |
180.8 |
1.4 |
0.758 |
3 |
3 |
0 |
0.000 |
| 8 |
22 |
|
D |
18 |
5 |
14238 |
◊ |
F |
-x+1,y-1/2,-z+3/2 |
3_646 |
24 |
7 |
14314 |
154.3 |
1.2 |
0.738 |
5 |
0 |
0 |
0.000 |
23 |
|
A |
23 |
7 |
14332 |
◊ |
B |
x-1/2,-y+3/2,-z |
4_465 |
17 |
5 |
14240 |
153.2 |
1.1 |
0.735 |
5 |
0 |
0 |
0.000 |
| Average: |
153.8 |
1.2 |
0.736 |
5 |
0 |
0 |
0.000 |
| 9 |
24 |
|
[PEG]F:402 |
7 |
1 |
258 |
◊ |
F |
x,y,z |
1_555 |
20 |
9 |
14314 |
154.1 |
3.0 |
0.331 |
3 |
0 |
0 |
0.000 |
| 10 |
25 |
|
[PEG]B:401 |
7 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
17 |
8 |
14240 |
143.4 |
4.1 |
0.406 |
2 |
0 |
0 |
0.000 |
| 11 |
26 |
|
[PEG]D:403 |
7 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
14238 |
138.5 |
3.2 |
0.336 |
2 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[BOC]C:1 |
6 |
1 |
252 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
14240 |
133.4 |
2.9 |
0.328 |
0 |
0 |
0 |
0.000 |
28 |
|
[BOC]I:1 |
6 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
14332 |
132.5 |
3.0 |
0.347 |
0 |
0 |
0 |
0.000 |
29 |
|
[BOC]E:1 |
6 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
17 |
9 |
14238 |
129.9 |
3.1 |
0.361 |
0 |
0 |
0 |
0.000 |
30 |
|
[BOC]G:1 |
6 |
1 |
252 |
◊ |
F |
x,y,z |
1_555 |
16 |
8 |
14314 |
128.1 |
3.1 |
0.351 |
0 |
0 |
0 |
0.000 |
| Average: |
131.0 |
3.0 |
0.347 |
0 |
0 |
0 |
0.000 |
| 13 |
31 |
|
B |
17 |
7 |
14240 |
◊ |
F |
x,y-1,z-1 |
1_544 |
13 |
7 |
14314 |
117.8 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
| 14 |
32 |
|
[PEG]D:405 |
7 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
23 |
7 |
14238 |
117.1 |
2.9 |
0.337 |
3 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[PEG]F:403 |
7 |
1 |
260 |
f |
F |
x,y,z |
1_555 |
21 |
7 |
14314 |
115.7 |
3.1 |
0.344 |
1 |
0 |
0 |
0.000 |
| 16 |
34 |
|
[PEG]D:402 |
6 |
1 |
260 |
◊ |
D |
x,y,z |
1_555 |
12 |
6 |
14238 |
114.5 |
4.0 |
0.487 |
0 |
0 |
0 |
0.000 |
| 17 |
35 |
|
[PEG]D:406 |
7 |
1 |
254 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
14238 |
110.2 |
2.2 |
0.288 |
1 |
0 |
0 |
0.000 |
| 18 |
36 |
|
D |
14 |
6 |
14238 |
◊ |
[PEG]B:403 |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
1 |
263 |
109.9 |
3.6 |
0.392 |
3 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[PEG]D:404 |
7 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
14 |
6 |
14238 |
109.1 |
2.9 |
0.366 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[PEG]B:402 |
6 |
1 |
259 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
14240 |
102.1 |
2.5 |
0.332 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[PEG]D:401 |
6 |
1 |
259 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
16 |
6 |
14240 |
91.2 |
2.1 |
0.324 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
A |
10 |
4 |
14332 |
f |
[PEG]D:406 |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
1 |
254 |
87.6 |
1.7 |
0.244 |
1 |
0 |
0 |
0.000 |
| 23 |
41 |
|
[PEG]F:401 |
6 |
1 |
257 |
◊ |
F |
x,y,z |
1_555 |
12 |
3 |
14314 |
83.0 |
1.1 |
0.221 |
1 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[PEG]D:401 |
5 |
1 |
259 |
◊ |
[PEG]B:403 |
x-1/2,-y+3/2,-z+1 |
4_466 |
7 |
1 |
263 |
76.8 |
3.2 |
0.117 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[PEG]D:401 |
6 |
1 |
259 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
14238 |
72.2 |
2.1 |
0.325 |
3 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[PEG]F:402 |
5 |
1 |
258 |
f |
G |
x,y,z |
1_555 |
10 |
2 |
841 |
67.9 |
1.6 |
0.491 |
0 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[PEG]B:403 |
7 |
1 |
263 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14240 |
67.4 |
1.3 |
0.174 |
0 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[PEG]B:401 |
4 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
849 |
65.1 |
1.5 |
0.560 |
0 |
0 |
0 |
0.000 |
| 29 |
47 |
|
A |
7 |
2 |
14332 |
◊ |
E |
x-1/2,-y+3/2,-z+1 |
4_466 |
4 |
2 |
902 |
56.2 |
0.8 |
0.815 |
1 |
0 |
0 |
0.000 |
48 |
|
I |
2 |
1 |
849 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
6 |
2 |
14314 |
36.1 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
49 |
|
D |
2 |
1 |
14238 |
◊ |
C |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
849 |
18.3 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
| Average: |
36.8 |
0.3 |
0.713 |
0 |
0 |
0 |
0.000 |
| 30 |
50 |
|
[PEG]D:403 |
4 |
1 |
254 |
◊ |
E |
x,y,z |
1_555 |
9 |
2 |
902 |
55.9 |
1.3 |
0.446 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[BOC]E:1 |
5 |
1 |
253 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
902 |
55.4 |
-0.4 |
0.126 |
0 |
0 |
0 |
0.124 |
52 |
|
[BOC]C:1 |
4 |
1 |
252 |
cf |
C |
x,y,z |
1_555 |
5 |
2 |
849 |
55.1 |
-0.4 |
0.163 |
0 |
0 |
0 |
0.124 |
53 |
|
[BOC]I:1 |
5 |
1 |
253 |
cf |
I |
x,y,z |
1_555 |
5 |
2 |
849 |
54.8 |
-0.4 |
0.130 |
0 |
0 |
0 |
0.124 |
54 |
|
[BOC]G:1 |
4 |
1 |
252 |
cf |
G |
x,y,z |
1_555 |
5 |
2 |
841 |
54.1 |
-0.4 |
0.163 |
0 |
0 |
0 |
0.124 |
| Average: |
54.9 |
-0.4 |
0.146 |
0 |
0 |
0 |
0.124 |
| 32 |
55 |
|
A |
6 |
4 |
14332 |
◊ |
[PEG]F:401 |
-x+3/2,-y+2,z-1/2 |
2_674 |
4 |
1 |
257 |
45.1 |
1.2 |
0.305 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
D |
2 |
1 |
14238 |
◊ |
G |
-x+2,y-1/2,-z+3/2 |
3_746 |
7 |
3 |
841 |
33.1 |
0.9 |
0.904 |
0 |
0 |
0 |
0.002 |
57 |
|
A |
2 |
1 |
14332 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
2 |
849 |
18.8 |
-0.6 |
0.361 |
0 |
0 |
0 |
0.002 |
58 |
|
E |
1 |
1 |
902 |
◊ |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
3 |
1 |
14314 |
7.8 |
0.1 |
0.620 |
0 |
0 |
0 |
0.002 |
| Average: |
19.9 |
0.1 |
0.628 |
0 |
0 |
0 |
0.002 |
| 34 |
59 |
|
[PEG]B:402 |
3 |
1 |
259 |
f |
D |
x,y,z-1 |
1_554 |
4 |
2 |
14238 |
28.5 |
0.3 |
0.243 |
0 |
0 |
0 |
0.000 |
| 35 |
60 |
|
[PEG]D:403 |
3 |
1 |
254 |
f |
F |
-x+2,y-1/2,-z+3/2 |
3_746 |
1 |
1 |
14314 |
24.4 |
1.1 |
0.445 |
0 |
0 |
0 |
0.000 |
| 36 |
61 |
|
A |
5 |
3 |
14332 |
◊ |
[PEG]D:404 |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
258 |
24.0 |
1.1 |
0.504 |
0 |
0 |
0 |
0.000 |
| 37 |
62 |
|
[PEG]D:405 |
2 |
1 |
258 |
f |
[PEG]D:404 |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
258 |
19.4 |
-0.1 |
0.171 |
1 |
0 |
0 |
0.100 |
| 38 |
63 |
|
D |
2 |
1 |
14238 |
◊ |
[BOC]G:1 |
-x+2,y-1/2,-z+3/2 |
3_746 |
2 |
1 |
252 |
16.5 |
0.6 |
0.394 |
0 |
0 |
0 |
0.000 |
64 |
|
A |
2 |
1 |
14332 |
◊ |
[BOC]C:1 |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
252 |
5.2 |
-0.0 |
0.380 |
0 |
0 |
0 |
0.000 |
| Average: |
10.9 |
0.3 |
0.387 |
0 |
0 |
0 |
0.000 |
| 39 |
65 |
|
D |
2 |
1 |
14238 |
f |
[PEG]F:401 |
-x+2,y-1/2,-z+3/2 |
3_746 |
1 |
1 |
257 |
15.2 |
-0.4 |
0.282 |
0 |
0 |
0 |
0.041 |
| 40 |
66 |
|
B |
2 |
1 |
14240 |
◊ |
F |
x-1/2,-y+3/2,-z+1 |
4_466 |
2 |
1 |
14314 |
13.7 |
0.7 |
0.856 |
0 |
0 |
0 |
0.000 |
| 41 |
67 |
|
A |
1 |
1 |
14332 |
f |
[PEG]B:401 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
262 |
11.8 |
0.3 |
0.326 |
0 |
0 |
0 |
0.000 |
| 42 |
68 |
|
B |
1 |
1 |
14240 |
◊ |
G |
x-1/2,-y+5/2,-z+1 |
4_476 |
1 |
1 |
841 |
9.3 |
0.2 |
0.700 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
A |
1 |
1 |
14332 |
◊ |
[PEG]D:405 |
-x+1/2,-y+1,z-1/2 |
2_564 |
1 |
1 |
258 |
7.5 |
0.1 |
0.361 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
B |
1 |
1 |
14240 |
◊ |
D |
x-1/2,-y+3/2,-z+1 |
4_466 |
1 |
1 |
14238 |
5.1 |
0.3 |
0.826 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
D |
1 |
1 |
14238 |
◊ |
[PEG]D:404 |
-x+1,y-1/2,-z+3/2 |
3_646 |
2 |
1 |
258 |
3.2 |
0.1 |
0.328 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
[PEG]D:402 |
2 |
1 |
260 |
f |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
14238 |
2.5 |
0.1 |
0.311 |
0 |
0 |
0 |
0.000 |
| 47 |
73 |
|
[PEG]D:405 |
1 |
1 |
258 |
◊ |
D |
-x+1,y-1/2,-z+3/2 |
3_646 |
1 |
1 |
14238 |
0.1 |
0.0 |
0.302 |
0 |
0 |
0 |
0.000 |
|