| ## |
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 |
|
[B12]C:503 |
74 |
1 |
1429 |
f |
C |
x,y,z |
1_555 |
119 |
45 |
17258 |
1021.0 |
-6.4 |
0.614 |
23 |
0 |
0 |
0.205 |
2 |
|
[B12]B:503 |
74 |
1 |
1428 |
f |
B |
x,y,z |
1_555 |
121 |
46 |
17290 |
1019.8 |
-6.2 |
0.647 |
23 |
0 |
0 |
0.205 |
3 |
|
[B12]D:503 |
73 |
1 |
1430 |
f |
D |
x,y,z |
1_555 |
116 |
45 |
17143 |
1017.7 |
-6.0 |
0.627 |
22 |
0 |
0 |
0.205 |
4 |
|
[B12]A:503 |
75 |
1 |
1429 |
f |
A |
x,y,z |
1_555 |
117 |
45 |
17316 |
1017.2 |
-6.2 |
0.652 |
25 |
0 |
0 |
0.205 |
| Average: |
1018.9 |
-6.2 |
0.635 |
23 |
0 |
0 |
0.205 |
| 2 |
5 |
|
C |
92 |
21 |
17258 |
◊ |
A |
x,y,z |
1_555 |
90 |
22 |
17316 |
819.5 |
-5.9 |
0.363 |
5 |
6 |
0 |
0.000 |
6 |
|
D |
90 |
21 |
17143 |
◊ |
B |
x,y,z |
1_555 |
84 |
21 |
17290 |
811.4 |
-6.8 |
0.295 |
3 |
6 |
0 |
0.000 |
| Average: |
815.4 |
-6.3 |
0.329 |
4 |
6 |
0 |
0.000 |
| 3 |
7 |
|
A |
69 |
19 |
17316 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
66 |
17 |
17316 |
601.1 |
-3.2 |
0.512 |
5 |
4 |
0 |
0.000 |
8 |
|
B |
68 |
19 |
17290 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
63 |
17 |
17290 |
598.3 |
-4.1 |
0.436 |
3 |
4 |
0 |
0.000 |
9 |
|
C |
63 |
18 |
17258 |
x |
C |
-x-1,y-1/2,-z |
2_445 |
70 |
20 |
17258 |
592.3 |
-3.9 |
0.390 |
3 |
3 |
0 |
0.000 |
10 |
|
D |
66 |
17 |
17143 |
x |
D |
-x,y-1/2,-z |
2_545 |
66 |
18 |
17143 |
590.8 |
-2.8 |
0.496 |
4 |
4 |
0 |
0.000 |
| Average: |
595.6 |
-3.5 |
0.458 |
4 |
4 |
0 |
0.000 |
| 4 |
11 |
|
F |
51 |
8 |
2649 |
◊ |
B |
x-1,y,z |
1_455 |
41 |
18 |
17290 |
363.8 |
-4.3 |
0.726 |
3 |
0 |
0 |
0.000 |
| 5 |
12 |
|
F |
38 |
6 |
2649 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
17316 |
320.5 |
-8.1 |
0.534 |
10 |
0 |
0 |
0.148 |
| 6 |
13 |
|
E |
35 |
6 |
2414 |
◊ |
A |
x,y,z |
1_555 |
44 |
16 |
17316 |
288.9 |
-7.1 |
0.608 |
4 |
0 |
0 |
0.011 |
| 7 |
14 |
|
E |
31 |
5 |
2414 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
17290 |
266.9 |
-8.1 |
0.525 |
5 |
0 |
0 |
0.127 |
| 8 |
15 |
|
[SF4]C:501 |
8 |
1 |
308 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
17258 |
188.4 |
-21.7 |
0.287 |
0 |
0 |
0 |
0.268 |
16 |
|
[SF4]D:501 |
8 |
1 |
308 |
f |
D |
x,y,z |
1_555 |
27 |
12 |
17143 |
187.7 |
-21.5 |
0.306 |
0 |
0 |
0 |
0.268 |
17 |
|
[SF4]B:501 |
8 |
1 |
307 |
f |
B |
x,y,z |
1_555 |
30 |
13 |
17290 |
187.6 |
-21.6 |
0.356 |
0 |
0 |
0 |
0.268 |
18 |
|
[SF4]A:501 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
30 |
13 |
17316 |
186.8 |
-21.6 |
0.358 |
0 |
0 |
0 |
0.268 |
| Average: |
187.6 |
-21.6 |
0.327 |
0 |
0 |
0 |
0.268 |
| 9 |
19 |
|
[SF4]D:502 |
8 |
1 |
307 |
f |
D |
x,y,z |
1_555 |
25 |
13 |
17143 |
167.8 |
-18.9 |
0.178 |
1 |
0 |
0 |
0.240 |
20 |
|
[SF4]B:502 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
17290 |
167.0 |
-18.9 |
0.203 |
1 |
0 |
0 |
0.240 |
21 |
|
[SF4]A:502 |
8 |
1 |
307 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
17316 |
166.3 |
-18.9 |
0.212 |
1 |
0 |
0 |
0.240 |
22 |
|
[SF4]C:502 |
8 |
1 |
306 |
f |
C |
x,y,z |
1_555 |
24 |
13 |
17258 |
165.7 |
-18.7 |
0.183 |
1 |
0 |
0 |
0.240 |
| Average: |
166.7 |
-18.9 |
0.194 |
1 |
0 |
0 |
0.240 |
| 10 |
23 |
|
D |
19 |
7 |
17143 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
5 |
17258 |
155.2 |
-2.0 |
0.327 |
1 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[GOL]D:504 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
24 |
8 |
17143 |
131.5 |
-0.1 |
0.595 |
5 |
0 |
0 |
0.038 |
25 |
|
[GOL]A:504 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
17316 |
131.4 |
-1.0 |
0.502 |
5 |
0 |
0 |
0.038 |
26 |
|
[GOL]C:504 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
17258 |
128.4 |
-0.3 |
0.599 |
5 |
0 |
0 |
0.038 |
27 |
|
[GOL]B:504 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
17290 |
126.0 |
-0.3 |
0.633 |
5 |
0 |
0 |
0.038 |
| Average: |
129.3 |
-0.4 |
0.582 |
5 |
0 |
0 |
0.038 |
| 12 |
28 |
|
C |
16 |
6 |
17258 |
◊ |
D |
x-1,y,z |
1_455 |
14 |
5 |
17143 |
114.3 |
0.5 |
0.696 |
1 |
3 |
0 |
0.000 |
29 |
|
D |
15 |
5 |
17143 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
17258 |
93.5 |
0.5 |
0.683 |
1 |
1 |
0 |
0.000 |
| Average: |
103.9 |
0.5 |
0.689 |
1 |
2 |
0 |
0.000 |
| 13 |
30 |
|
B |
15 |
6 |
17290 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
11 |
4 |
17258 |
86.5 |
0.5 |
0.696 |
1 |
1 |
0 |
0.000 |
| 14 |
31 |
|
[PO4]C:505 |
5 |
1 |
190 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
17258 |
85.9 |
-5.2 |
0.754 |
2 |
0 |
0 |
0.009 |
| 15 |
32 |
|
[PO4]B:505 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
17290 |
84.9 |
-5.2 |
0.757 |
2 |
0 |
0 |
0.075 |
33 |
|
[PO4]A:505 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
17316 |
84.8 |
-5.1 |
0.759 |
2 |
0 |
0 |
0.075 |
| Average: |
84.8 |
-5.2 |
0.758 |
2 |
0 |
0 |
0.075 |
| 16 |
34 |
|
[PO4]D:505 |
5 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
13 |
8 |
17143 |
84.7 |
-5.1 |
0.763 |
2 |
0 |
0 |
0.009 |
| 17 |
35 |
|
[PO4]A:505 |
5 |
1 |
187 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
4 |
17316 |
71.7 |
-3.5 |
0.789 |
1 |
0 |
0 |
0.000 |
36 |
|
[PO4]B:505 |
5 |
1 |
188 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
14 |
4 |
17290 |
71.4 |
-3.4 |
0.810 |
1 |
0 |
0 |
0.000 |
| Average: |
71.6 |
-3.4 |
0.799 |
1 |
0 |
0 |
0.000 |
| 18 |
37 |
|
D |
15 |
4 |
17143 |
◊ |
[PO4]D:505 |
-x,y-1/2,-z |
2_545 |
5 |
1 |
189 |
71.7 |
-3.3 |
0.811 |
1 |
0 |
0 |
0.000 |
| 19 |
38 |
|
C |
15 |
4 |
17258 |
◊ |
[PO4]C:505 |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
190 |
71.3 |
-3.3 |
0.789 |
1 |
0 |
0 |
0.000 |
| 20 |
39 |
|
[GOL]C:504 |
4 |
1 |
216 |
f |
[B12]C:503 |
x,y,z |
1_555 |
12 |
1 |
1429 |
60.5 |
-1.4 |
0.484 |
0 |
0 |
0 |
0.018 |
40 |
|
[GOL]D:504 |
4 |
1 |
218 |
f |
[B12]D:503 |
x,y,z |
1_555 |
13 |
1 |
1430 |
59.7 |
-1.4 |
0.489 |
0 |
0 |
0 |
0.018 |
41 |
|
[GOL]B:504 |
5 |
1 |
214 |
f |
[B12]B:503 |
x,y,z |
1_555 |
13 |
1 |
1428 |
59.1 |
-1.5 |
0.503 |
0 |
0 |
0 |
0.018 |
42 |
|
[GOL]A:504 |
4 |
1 |
216 |
f |
[B12]A:503 |
x,y,z |
1_555 |
13 |
1 |
1429 |
58.7 |
-1.5 |
0.489 |
0 |
0 |
0 |
0.018 |
| Average: |
59.5 |
-1.4 |
0.491 |
0 |
0 |
0 |
0.018 |
| 21 |
43 |
|
[B12]D:503 |
11 |
1 |
1430 |
f |
[SF4]D:502 |
x,y,z |
1_555 |
4 |
1 |
307 |
55.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.038 |
44 |
|
[B12]B:503 |
10 |
1 |
1428 |
f |
[SF4]B:502 |
x,y,z |
1_555 |
4 |
1 |
308 |
55.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
45 |
|
[B12]A:503 |
11 |
1 |
1429 |
f |
[SF4]A:502 |
x,y,z |
1_555 |
4 |
1 |
307 |
54.4 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
46 |
|
[B12]C:503 |
11 |
1 |
1429 |
f |
[SF4]C:502 |
x,y,z |
1_555 |
4 |
1 |
306 |
53.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| Average: |
54.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.038 |
| 22 |
47 |
|
C |
8 |
5 |
17258 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
8 |
4 |
17143 |
46.0 |
-0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
| 23 |
48 |
|
A |
9 |
3 |
17316 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
5 |
3 |
17143 |
38.5 |
1.6 |
0.851 |
1 |
1 |
0 |
0.000 |
| 24 |
49 |
|
B |
4 |
1 |
17290 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
3 |
1 |
17143 |
34.3 |
-0.2 |
0.483 |
1 |
1 |
0 |
0.000 |
50 |
|
A |
2 |
1 |
17316 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
3 |
1 |
17258 |
34.0 |
0.1 |
0.561 |
1 |
1 |
0 |
0.000 |
51 |
|
B |
3 |
1 |
17290 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
17143 |
33.8 |
-0.2 |
0.476 |
0 |
1 |
0 |
0.000 |
52 |
|
A |
3 |
1 |
17316 |
◊ |
C |
-x-1,y-1/2,-z-1 |
2_444 |
4 |
1 |
17258 |
29.1 |
-0.3 |
0.466 |
0 |
0 |
0 |
0.000 |
| Average: |
32.8 |
-0.1 |
0.497 |
1 |
1 |
0 |
0.000 |
| 25 |
53 |
|
B |
4 |
1 |
17290 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
1 |
17143 |
30.4 |
-0.7 |
0.300 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
3 |
1 |
17316 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
17258 |
23.0 |
-0.6 |
0.286 |
0 |
0 |
0 |
0.000 |
| Average: |
26.7 |
-0.7 |
0.293 |
0 |
0 |
0 |
0.000 |
| 26 |
55 |
|
A |
2 |
1 |
17316 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
17290 |
21.1 |
0.7 |
0.714 |
1 |
0 |
0 |
0.000 |
56 |
|
B |
1 |
1 |
17290 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
17316 |
12.6 |
0.4 |
0.621 |
0 |
0 |
0 |
0.000 |
| Average: |
16.9 |
0.5 |
0.667 |
1 |
0 |
0 |
0.000 |
|