| ## |
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 |
95 |
32 |
9806 |
◊ |
A |
x,y,z |
1_555 |
94 |
31 |
9974 |
926.8 |
-13.5 |
0.047 |
14 |
0 |
0 |
0.292 |
2 |
|
C |
92 |
31 |
9775 |
◊ |
B |
x,y,z |
1_555 |
95 |
31 |
9960 |
919.6 |
-13.8 |
0.040 |
10 |
1 |
0 |
0.292 |
| Average: |
923.2 |
-13.7 |
0.044 |
12 |
1 |
0 |
0.292 |
| 2 |
3 |
|
B |
73 |
24 |
9960 |
◊ |
A |
x,y,z |
1_555 |
73 |
24 |
9974 |
652.2 |
-2.0 |
0.611 |
8 |
0 |
0 |
0.000 |
| 3 |
4 |
|
D |
53 |
20 |
9806 |
◊ |
C |
x,y,z |
1_555 |
51 |
19 |
9775 |
575.3 |
2.8 |
0.907 |
9 |
6 |
0 |
0.000 |
| 4 |
5 |
|
[SFP]A:243 |
55 |
1 |
1133 |
◊ |
A |
x,y,z |
1_555 |
53 |
19 |
9974 |
477.7 |
3.4 |
0.583 |
4 |
0 |
0 |
0.000 |
6 |
|
[SFP]B:245 |
52 |
1 |
1131 |
◊ |
B |
x,y,z |
1_555 |
55 |
19 |
9960 |
473.6 |
3.1 |
0.561 |
4 |
0 |
0 |
0.000 |
| Average: |
475.7 |
3.3 |
0.572 |
4 |
0 |
0 |
0.000 |
| 5 |
7 |
|
[SFP]A:251 |
46 |
1 |
1137 |
f |
[SFP]A:250 |
x,y,z |
1_555 |
49 |
1 |
1139 |
318.6 |
1.0 |
0.399 |
0 |
0 |
0 |
0.000 |
8 |
|
[SFP]B:238 |
44 |
1 |
1127 |
f |
[SFP]B:237 |
x,y,z |
1_555 |
48 |
1 |
1140 |
312.1 |
1.4 |
0.418 |
0 |
0 |
0 |
0.000 |
9 |
|
[SFP]D:242 |
42 |
1 |
1137 |
f |
[SFP]D:241 |
x,y,z |
1_555 |
44 |
1 |
1140 |
290.9 |
1.4 |
0.414 |
0 |
0 |
0 |
0.000 |
10 |
|
[SFP]C:240 |
42 |
1 |
1142 |
f |
[SFP]C:239 |
x,y,z |
1_555 |
41 |
1 |
1140 |
290.5 |
1.3 |
0.419 |
0 |
0 |
0 |
0.000 |
| Average: |
303.0 |
1.3 |
0.412 |
0 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[SFP]A:244 |
49 |
1 |
1139 |
◊ |
[SFP]B:245 |
-y+1,x-y+1,z-1/3 |
2_664 |
44 |
1 |
1131 |
302.5 |
2.8 |
0.469 |
0 |
0 |
0 |
0.000 |
| 7 |
12 |
|
[SFP]A:244 |
46 |
1 |
1139 |
◊ |
[SFP]A:243 |
x,y,z |
1_555 |
46 |
1 |
1133 |
284.3 |
0.7 |
0.372 |
0 |
0 |
0 |
0.000 |
| 8 |
13 |
|
[SFP]D:242 |
37 |
1 |
1137 |
◊ |
[SFP]B:238 |
x,y-1,z |
1_545 |
40 |
1 |
1127 |
251.7 |
2.0 |
0.457 |
0 |
0 |
0 |
0.000 |
14 |
|
[SFP]C:240 |
36 |
1 |
1142 |
◊ |
[SFP]A:251 |
x-1,y,z |
1_455 |
41 |
1 |
1137 |
246.9 |
1.9 |
0.459 |
0 |
0 |
0 |
0.000 |
| Average: |
249.3 |
1.9 |
0.458 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
[LAT]C:246 |
17 |
1 |
477 |
f |
C |
x,y,z |
1_555 |
28 |
12 |
9775 |
208.3 |
0.9 |
0.440 |
7 |
0 |
0 |
0.034 |
| 10 |
16 |
|
[LAT]D:247 |
18 |
1 |
475 |
f |
D |
x,y,z |
1_555 |
29 |
12 |
9806 |
207.6 |
0.8 |
0.425 |
8 |
0 |
0 |
0.041 |
| 11 |
17 |
|
[SFP]A:244 |
25 |
1 |
1139 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
18 |
6 |
9960 |
194.6 |
0.9 |
0.580 |
1 |
0 |
0 |
0.000 |
| 12 |
18 |
|
[SFP]A:251 |
23 |
1 |
1137 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9974 |
170.8 |
-2.6 |
0.120 |
2 |
0 |
0 |
0.053 |
19 |
|
[SFP]B:238 |
22 |
1 |
1127 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9960 |
166.6 |
-2.5 |
0.116 |
2 |
0 |
0 |
0.053 |
| Average: |
168.7 |
-2.6 |
0.118 |
2 |
0 |
0 |
0.053 |
| 13 |
20 |
|
[SFP]D:241 |
16 |
1 |
1140 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
9806 |
159.3 |
-0.4 |
0.460 |
3 |
0 |
0 |
0.025 |
21 |
|
[SFP]C:239 |
15 |
1 |
1140 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
9775 |
156.9 |
-0.6 |
0.438 |
2 |
0 |
0 |
0.025 |
| Average: |
158.1 |
-0.5 |
0.449 |
3 |
0 |
0 |
0.025 |
| 14 |
22 |
|
[SFP]A:244 |
25 |
1 |
1139 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
9974 |
150.0 |
-0.1 |
0.479 |
0 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[SFP]B:237 |
17 |
1 |
1140 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
9960 |
134.5 |
-0.2 |
0.480 |
3 |
0 |
0 |
0.000 |
24 |
|
[SFP]A:250 |
17 |
1 |
1139 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
9974 |
133.4 |
0.0 |
0.505 |
2 |
0 |
0 |
0.000 |
| Average: |
134.0 |
-0.1 |
0.492 |
3 |
0 |
0 |
0.000 |
| 16 |
25 |
|
[SFP]D:242 |
17 |
1 |
1137 |
f |
D |
x,y,z |
1_555 |
16 |
6 |
9806 |
129.6 |
0.8 |
0.582 |
2 |
0 |
0 |
0.000 |
26 |
|
[SFP]C:240 |
17 |
1 |
1142 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
9775 |
113.1 |
0.5 |
0.557 |
2 |
0 |
0 |
0.000 |
| Average: |
121.3 |
0.6 |
0.570 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[SFP]A:250 |
16 |
1 |
1139 |
◊ |
D |
-y+1,x-y+1,z-1/3 |
2_664 |
15 |
6 |
9806 |
127.6 |
-1.0 |
0.245 |
0 |
0 |
0 |
0.000 |
28 |
|
C |
13 |
6 |
9775 |
◊ |
[SFP]B:237 |
-y+1,x-y+1,z-1/3 |
2_664 |
16 |
1 |
1140 |
115.2 |
-1.2 |
0.197 |
0 |
0 |
0 |
0.000 |
| Average: |
121.4 |
-1.1 |
0.221 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[SFP]C:240 |
19 |
1 |
1142 |
◊ |
A |
x-1,y,z |
1_455 |
8 |
4 |
9974 |
110.7 |
-1.0 |
0.079 |
0 |
0 |
0 |
0.000 |
30 |
|
[SFP]D:242 |
20 |
1 |
1137 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
9960 |
106.0 |
-0.9 |
0.056 |
0 |
0 |
0 |
0.000 |
| Average: |
108.3 |
-1.0 |
0.067 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
C |
10 |
5 |
9775 |
◊ |
[SFP]B:238 |
-y+1,x-y+1,z-1/3 |
2_664 |
14 |
1 |
1127 |
103.5 |
-0.3 |
0.257 |
0 |
0 |
0 |
0.000 |
32 |
|
[SFP]A:251 |
14 |
1 |
1137 |
◊ |
D |
-y+1,x-y+1,z-1/3 |
2_664 |
10 |
5 |
9806 |
99.0 |
-0.2 |
0.288 |
0 |
0 |
0 |
0.000 |
| Average: |
101.2 |
-0.2 |
0.273 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[MN]B:251 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
16 |
11 |
9960 |
68.6 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.196 |
34 |
|
[MN]A:249 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9974 |
68.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.196 |
35 |
|
[MN]D:255 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
9806 |
63.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.196 |
36 |
|
[MN]C:253 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
9775 |
62.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.196 |
| Average: |
65.7 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.196 |
| 21 |
37 |
|
[CA]B:250 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9960 |
48.3 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.357 |
38 |
|
[CA]D:254 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
9806 |
47.8 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.357 |
39 |
|
[CA]A:248 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
9974 |
47.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.357 |
40 |
|
[CA]C:252 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
9775 |
47.1 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.357 |
| Average: |
47.7 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.357 |
| 22 |
41 |
|
[SFP]D:242 |
5 |
1 |
1137 |
◊ |
[SFP]B:237 |
x,y-1,z |
1_545 |
4 |
1 |
1140 |
45.5 |
-0.0 |
0.387 |
0 |
0 |
0 |
0.000 |
42 |
|
[SFP]C:240 |
4 |
1 |
1142 |
◊ |
[SFP]A:250 |
x-1,y,z |
1_455 |
5 |
1 |
1139 |
43.1 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.000 |
| Average: |
44.3 |
-0.1 |
0.394 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
C |
7 |
3 |
9775 |
◊ |
[SFP]D:241 |
-y,x-y,z-1/3 |
2_554 |
5 |
1 |
1140 |
41.5 |
-1.1 |
0.298 |
0 |
0 |
0 |
0.000 |
44 |
|
[SFP]C:239 |
5 |
1 |
1140 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
6 |
2 |
9806 |
36.4 |
-0.6 |
0.395 |
0 |
0 |
0 |
0.000 |
| Average: |
38.9 |
-0.8 |
0.346 |
0 |
0 |
0 |
0.000 |
| 24 |
45 |
|
D |
4 |
1 |
9806 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
9960 |
39.6 |
0.9 |
0.890 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
5 |
2 |
9775 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
9974 |
38.1 |
0.4 |
0.756 |
1 |
0 |
0 |
0.000 |
| Average: |
38.8 |
0.6 |
0.823 |
1 |
0 |
0 |
0.000 |
| 25 |
47 |
|
A |
3 |
2 |
9974 |
f |
[SFP]B:245 |
-y+1,x-y+1,z-1/3 |
2_664 |
7 |
1 |
1131 |
34.2 |
-0.5 |
0.416 |
0 |
0 |
0 |
0.010 |
48 |
|
[SFP]A:243 |
4 |
1 |
1133 |
f |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
3 |
2 |
9960 |
29.0 |
-0.6 |
0.338 |
0 |
0 |
0 |
0.010 |
| Average: |
31.6 |
-0.6 |
0.377 |
0 |
0 |
0 |
0.010 |
| 26 |
49 |
|
[SFP]A:250 |
3 |
1 |
1139 |
◊ |
[SFP]A:243 |
x,y,z |
1_555 |
3 |
1 |
1133 |
22.0 |
0.3 |
0.484 |
0 |
0 |
0 |
0.000 |
50 |
|
[SFP]B:245 |
3 |
1 |
1131 |
◊ |
[SFP]B:237 |
x,y,z |
1_555 |
3 |
1 |
1140 |
19.8 |
-0.0 |
0.397 |
0 |
0 |
0 |
0.000 |
| Average: |
20.9 |
0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
| 27 |
51 |
|
[SFP]D:241 |
3 |
1 |
1140 |
◊ |
[SFP]B:238 |
x,y-1,z |
1_545 |
6 |
1 |
1127 |
17.9 |
-0.3 |
0.359 |
0 |
0 |
0 |
0.000 |
52 |
|
[SFP]C:239 |
2 |
1 |
1140 |
◊ |
[SFP]A:251 |
x-1,y,z |
1_455 |
1 |
1 |
1137 |
3.8 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| Average: |
10.8 |
-0.2 |
0.389 |
0 |
0 |
0 |
0.000 |
| 28 |
53 |
|
[SFP]A:243 |
1 |
1 |
1133 |
◊ |
[SFP]B:245 |
-y+1,x-y+1,z-1/3 |
2_664 |
1 |
1 |
1131 |
11.4 |
0.3 |
0.595 |
0 |
0 |
0 |
0.000 |
| 29 |
54 |
|
[LAT]C:246 |
2 |
1 |
477 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
2 |
1 |
9806 |
9.7 |
0.2 |
0.524 |
0 |
0 |
0 |
0.000 |
55 |
|
C |
1 |
1 |
9775 |
◊ |
[LAT]D:247 |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
475 |
9.5 |
0.5 |
0.549 |
0 |
0 |
0 |
0.000 |
| Average: |
9.6 |
0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
| 30 |
56 |
|
[MN]A:249 |
1 |
1 |
123 |
f |
[CA]A:248 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.0 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.027 |
| 31 |
57 |
|
[MN]D:255 |
1 |
1 |
123 |
f |
[CA]D:254 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.7 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
| 32 |
58 |
|
[MN]B:251 |
1 |
1 |
123 |
f |
[CA]B:250 |
x,y,z |
1_555 |
1 |
1 |
85 |
7.5 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.023 |
| 33 |
59 |
|
[MN]C:253 |
1 |
1 |
123 |
f |
[CA]C:252 |
x,y,z |
1_555 |
1 |
1 |
85 |
5.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.016 |
| 34 |
60 |
|
C |
2 |
1 |
9775 |
◊ |
[SFP]A:251 |
x-1,y,z |
1_455 |
1 |
1 |
1137 |
3.6 |
0.1 |
0.583 |
0 |
0 |
0 |
0.000 |
61 |
|
D |
1 |
1 |
9806 |
◊ |
[SFP]B:238 |
x,y-1,z |
1_545 |
1 |
1 |
1127 |
1.1 |
-0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
| Average: |
2.3 |
0.0 |
0.533 |
0 |
0 |
0 |
0.000 |
| 35 |
62 |
|
[LAT]C:246 |
1 |
1 |
477 |
f |
[CA]C:252 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| 36 |
63 |
|
[SFP]C:239 |
1 |
1 |
1140 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
9974 |
2.5 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
| 37 |
64 |
|
C |
1 |
1 |
9775 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
1 |
1 |
9806 |
0.6 |
0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
| 38 |
65 |
|
C |
1 |
1 |
9775 |
◊ |
[SFP]D:242 |
-y,x-y,z-1/3 |
2_554 |
1 |
1 |
1137 |
0.5 |
-0.0 |
0.518 |
0 |
0 |
0 |
0.000 |
|