| ## |
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 |
|
B |
127 |
32 |
16695 |
◊ |
A |
x,y,z |
1_555 |
147 |
45 |
16877 |
1299.9 |
-3.5 |
0.361 |
12 |
3 |
0 |
0.000 |
2 |
|
E |
125 |
33 |
16544 |
◊ |
D |
x,y-1,z |
1_545 |
140 |
46 |
16951 |
1214.1 |
-5.4 |
0.302 |
11 |
2 |
0 |
0.000 |
3 |
|
E |
135 |
45 |
16544 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
123 |
34 |
16877 |
1210.4 |
-8.1 |
0.220 |
9 |
1 |
0 |
0.000 |
4 |
|
C |
133 |
35 |
16500 |
◊ |
B |
x,y,z |
1_555 |
137 |
42 |
16695 |
1193.5 |
-4.8 |
0.324 |
9 |
3 |
0 |
0.000 |
5 |
|
C |
135 |
44 |
16500 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
119 |
31 |
16951 |
1162.5 |
-7.2 |
0.200 |
9 |
3 |
0 |
0.000 |
| Average: |
1216.1 |
-5.8 |
0.281 |
10 |
2 |
0 |
0.000 |
| 2 |
6 |
|
H |
90 |
14 |
2338 |
◊ |
C |
x,y,z |
1_555 |
124 |
33 |
16500 |
981.8 |
-4.8 |
0.591 |
11 |
2 |
0 |
0.187 |
| 3 |
7 |
|
J |
83 |
13 |
1979 |
◊ |
E |
x,y,z |
1_555 |
113 |
33 |
16544 |
981.1 |
-4.1 |
0.664 |
12 |
6 |
0 |
0.243 |
8 |
|
I |
78 |
12 |
2233 |
◊ |
D |
x,y,z |
1_555 |
114 |
34 |
16951 |
935.4 |
-4.3 |
0.576 |
12 |
2 |
0 |
0.243 |
9 |
|
G |
76 |
13 |
2208 |
◊ |
B |
x,y,z |
1_555 |
110 |
32 |
16695 |
921.0 |
-3.3 |
0.680 |
14 |
5 |
0 |
0.243 |
10 |
|
F |
78 |
12 |
1937 |
◊ |
A |
x,y,z |
1_555 |
111 |
32 |
16877 |
909.5 |
-6.3 |
0.550 |
10 |
2 |
0 |
0.243 |
| Average: |
936.8 |
-4.5 |
0.617 |
12 |
4 |
0 |
0.243 |
| 4 |
11 |
|
B |
63 |
17 |
16695 |
x |
B |
-x,y-1/2,-z-1 |
2_544 |
72 |
20 |
16695 |
610.8 |
0.1 |
0.529 |
10 |
2 |
0 |
0.000 |
12 |
|
E |
60 |
15 |
16544 |
x |
D |
-x-1,y-1/2,-z |
2_445 |
64 |
19 |
16951 |
568.2 |
-1.4 |
0.416 |
10 |
1 |
0 |
0.000 |
| Average: |
589.5 |
-0.7 |
0.473 |
10 |
2 |
0 |
0.000 |
| 5 |
13 |
|
C |
34 |
10 |
16500 |
x |
C |
-x,y-1/2,-z |
2_545 |
31 |
10 |
16500 |
304.7 |
-2.4 |
0.257 |
5 |
2 |
0 |
0.000 |
| 6 |
14 |
|
H |
28 |
9 |
2338 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
36 |
11 |
16500 |
285.8 |
-2.2 |
0.452 |
3 |
0 |
0 |
0.000 |
| 7 |
15 |
|
E |
26 |
9 |
16544 |
◊ |
A |
x,y,z |
1_555 |
18 |
4 |
16877 |
211.2 |
-3.5 |
0.082 |
0 |
0 |
0 |
0.000 |
| 8 |
16 |
|
J |
21 |
6 |
1979 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
16877 |
166.7 |
-1.3 |
0.518 |
3 |
1 |
0 |
0.000 |
| 9 |
17 |
|
B |
25 |
9 |
16695 |
◊ |
G |
-x,y-1/2,-z-1 |
2_544 |
13 |
2 |
2208 |
146.0 |
0.2 |
0.698 |
2 |
0 |
0 |
0.000 |
18 |
|
E |
9 |
3 |
16544 |
◊ |
I |
-x-1,y-1/2,-z |
2_445 |
7 |
1 |
2233 |
56.4 |
0.2 |
0.674 |
0 |
0 |
0 |
0.000 |
| Average: |
101.2 |
0.2 |
0.686 |
1 |
0 |
0 |
0.000 |
| 10 |
19 |
|
E |
15 |
6 |
16544 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
16951 |
139.0 |
0.2 |
0.581 |
2 |
0 |
0 |
0.000 |
| 11 |
20 |
|
A |
16 |
7 |
16877 |
x |
A |
-x-1,y-1/2,-z-1 |
2_444 |
14 |
5 |
16877 |
136.6 |
-1.0 |
0.389 |
0 |
1 |
0 |
0.000 |
| 12 |
21 |
|
[SO4]C:401 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
21 |
11 |
16500 |
129.4 |
-17.4 |
0.782 |
2 |
0 |
0 |
0.342 |
| 13 |
22 |
|
[SO4]B:401 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
19 |
9 |
16695 |
122.8 |
-17.3 |
0.785 |
3 |
0 |
0 |
0.346 |
| 14 |
23 |
|
[SO4]E:401 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
19 |
10 |
16544 |
120.2 |
-16.6 |
0.793 |
3 |
0 |
0 |
0.334 |
| 15 |
24 |
|
D |
13 |
5 |
16951 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
16500 |
119.1 |
-0.9 |
0.397 |
0 |
0 |
0 |
0.000 |
| 16 |
25 |
|
F |
10 |
1 |
1937 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
16695 |
119.1 |
-3.3 |
0.167 |
0 |
0 |
0 |
0.000 |
26 |
|
E |
18 |
5 |
16544 |
◊ |
I |
x,y-1,z |
1_545 |
10 |
1 |
2233 |
112.0 |
-2.2 |
0.269 |
0 |
0 |
0 |
0.000 |
| Average: |
115.6 |
-2.8 |
0.218 |
0 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[SO4]D:401 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
20 |
10 |
16951 |
117.8 |
-17.0 |
0.794 |
3 |
0 |
0 |
0.342 |
| 18 |
28 |
|
H |
10 |
1 |
2338 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
16 |
5 |
16951 |
117.2 |
-2.6 |
0.207 |
0 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[GOL]B:404 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
16695 |
116.5 |
0.1 |
0.629 |
2 |
0 |
0 |
0.014 |
| 20 |
30 |
|
J |
10 |
1 |
1979 |
◊ |
A |
-x-1,y-1/2,-z-1 |
2_444 |
16 |
5 |
16877 |
110.9 |
-2.1 |
0.313 |
0 |
0 |
0 |
0.000 |
31 |
|
G |
10 |
1 |
2208 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
16500 |
92.9 |
-1.6 |
0.377 |
0 |
0 |
0 |
0.000 |
| Average: |
101.9 |
-1.8 |
0.345 |
0 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[CS]C:402 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
16500 |
103.9 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.499 |
33 |
|
[CS]E:402 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
25 |
9 |
16544 |
101.6 |
-23.6 |
0.000 |
0 |
0 |
0 |
0.499 |
34 |
|
[CS]D:402 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
21 |
7 |
16951 |
100.1 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.499 |
35 |
|
[CS]A:402 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
16877 |
99.3 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.499 |
36 |
|
[CS]B:402 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
16695 |
99.1 |
-23.8 |
0.000 |
0 |
0 |
0 |
0.499 |
| Average: |
100.8 |
-23.9 |
0.000 |
0 |
0 |
0 |
0.499 |
| 22 |
37 |
|
[GOL]B:403 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
16695 |
99.1 |
0.6 |
0.649 |
2 |
0 |
0 |
0.006 |
| 23 |
38 |
|
[GOL]E:403 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
16544 |
97.5 |
-0.0 |
0.573 |
4 |
0 |
0 |
0.034 |
| 24 |
39 |
|
[GOL]D:403 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
16951 |
94.3 |
0.4 |
0.587 |
3 |
0 |
0 |
0.018 |
| 25 |
40 |
|
[SO4]A:401 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
16877 |
82.4 |
-11.3 |
0.716 |
1 |
0 |
0 |
0.258 |
| 26 |
41 |
|
[SO4]A:401 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16695 |
20.2 |
-2.2 |
0.846 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
D |
4 |
2 |
16951 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
16500 |
12.9 |
0.0 |
0.597 |
0 |
0 |
0 |
0.000 |
| 28 |
43 |
|
[GOL]B:404 |
2 |
1 |
215 |
f |
[GOL]B:403 |
x,y,z |
1_555 |
1 |
1 |
217 |
2.7 |
0.1 |
0.589 |
0 |
0 |
0 |
0.000 |
|