## |
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 |
94 |
22 |
4796 |
◊ |
A |
x,y,z |
1_555 |
114 |
37 |
9092 |
915.5 |
-8.8 |
0.324 |
14 |
3 |
0 |
0.508 |
2 |
|
D |
88 |
20 |
4437 |
◊ |
C |
x,y,z |
1_555 |
108 |
35 |
9079 |
864.1 |
-10.3 |
0.199 |
15 |
3 |
0 |
0.508 |
Average: |
889.8 |
-9.6 |
0.262 |
15 |
3 |
0 |
0.508 |
2 |
3 |
|
A |
29 |
9 |
9092 |
◊ |
B |
-x-1,y-1/2,-z |
2_445 |
33 |
9 |
4796 |
270.2 |
-3.8 |
0.254 |
1 |
0 |
0 |
0.000 |
4 |
|
D |
30 |
9 |
4437 |
◊ |
C |
-x,y-1/2,-z-1 |
2_544 |
26 |
8 |
9079 |
264.6 |
-3.8 |
0.229 |
0 |
0 |
0 |
0.000 |
Average: |
267.4 |
-3.8 |
0.242 |
1 |
0 |
0 |
0.000 |
3 |
5 |
|
D |
24 |
7 |
4437 |
◊ |
B |
-x-1,y-3/2,-z-1 |
2_434 |
28 |
7 |
4796 |
260.0 |
-1.8 |
0.516 |
3 |
0 |
0 |
0.000 |
4 |
6 |
|
C |
28 |
9 |
9079 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
7 |
4796 |
255.1 |
-2.6 |
0.385 |
3 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
19 |
6 |
9079 |
x |
C |
x,y-1,z |
1_545 |
16 |
7 |
9079 |
140.4 |
1.9 |
0.835 |
1 |
1 |
0 |
0.000 |
8 |
|
A |
19 |
7 |
9092 |
x |
A |
x,y-1,z |
1_545 |
17 |
6 |
9092 |
129.5 |
1.0 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
135.0 |
1.5 |
0.803 |
1 |
1 |
0 |
0.000 |
6 |
9 |
|
B |
11 |
2 |
4796 |
x |
B |
x,y-1,z |
1_545 |
20 |
7 |
4796 |
128.7 |
-0.7 |
0.576 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
[GOL]A:1247 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
9092 |
125.6 |
0.1 |
0.570 |
4 |
0 |
0 |
0.053 |
8 |
11 |
|
[GOL]D:1071 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
4437 |
116.2 |
-0.1 |
0.628 |
3 |
0 |
0 |
0.042 |
9 |
12 |
|
[GOL]C:1247 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9079 |
114.7 |
0.1 |
0.581 |
4 |
0 |
0 |
0.050 |
10 |
13 |
|
C |
14 |
5 |
9079 |
◊ |
A |
x,y-1,z |
1_545 |
14 |
6 |
9092 |
113.7 |
0.6 |
0.738 |
2 |
0 |
0 |
0.000 |
11 |
14 |
|
[GOL]B:1071 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
4796 |
109.7 |
-0.1 |
0.578 |
3 |
0 |
0 |
0.057 |
12 |
15 |
|
C |
12 |
5 |
9079 |
x |
C |
-x-1,y-1/2,-z-1 |
2_444 |
13 |
5 |
9079 |
108.5 |
-1.9 |
0.196 |
0 |
0 |
0 |
0.000 |
13 |
16 |
|
[EDO]C:1248 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
9079 |
108.3 |
3.5 |
0.533 |
4 |
0 |
0 |
0.000 |
14 |
17 |
|
[GOL]D:1072 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
19 |
5 |
4437 |
106.7 |
-0.9 |
0.533 |
1 |
0 |
0 |
0.040 |
15 |
18 |
|
[GOL]B:1072 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
4796 |
106.2 |
-0.7 |
0.556 |
1 |
0 |
0 |
0.048 |
16 |
19 |
|
[GOL]D:1073 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
4437 |
104.3 |
0.2 |
0.673 |
3 |
0 |
0 |
0.033 |
17 |
20 |
|
[EDO]A:1249 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
9092 |
102.4 |
3.4 |
0.489 |
2 |
0 |
0 |
0.000 |
18 |
21 |
|
D |
10 |
4 |
4437 |
◊ |
A |
x,y-1,z-1 |
1_544 |
12 |
6 |
9092 |
98.2 |
0.5 |
0.639 |
1 |
0 |
0 |
0.000 |
19 |
22 |
|
[GOL]B:1073 |
5 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
17 |
5 |
4796 |
89.8 |
-0.7 |
0.537 |
0 |
0 |
0 |
0.000 |
20 |
23 |
|
[EDO]A:1248 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
9092 |
70.4 |
2.1 |
0.511 |
1 |
0 |
0 |
0.000 |
21 |
24 |
|
A |
9 |
4 |
9092 |
f |
[GOL]B:1073 |
-x-1,y-1/2,-z |
2_445 |
4 |
1 |
219 |
58.8 |
-0.5 |
0.453 |
1 |
0 |
0 |
0.029 |
22 |
25 |
|
[EDO]B:1074 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
4796 |
58.0 |
1.4 |
0.200 |
0 |
0 |
0 |
0.000 |
23 |
26 |
|
C |
7 |
3 |
9079 |
x |
C |
-x,y-1/2,-z-1 |
2_544 |
3 |
2 |
9079 |
56.0 |
-1.3 |
0.130 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
3 |
2 |
9092 |
x |
A |
-x-1,y-1/2,-z |
2_445 |
6 |
3 |
9092 |
49.7 |
-1.1 |
0.132 |
0 |
0 |
0 |
0.000 |
Average: |
52.8 |
-1.2 |
0.131 |
0 |
0 |
0 |
0.000 |
24 |
28 |
|
[CA]A:1246 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
9092 |
43.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.393 |
29 |
|
[CA]C:1246 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
9079 |
43.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.393 |
Average: |
43.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.393 |
25 |
30 |
|
[GOL]D:1071 |
4 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
9079 |
40.3 |
-0.6 |
0.426 |
0 |
0 |
0 |
0.018 |
26 |
31 |
|
[EDO]A:1248 |
4 |
1 |
184 |
f |
A |
-x-1,y-1/2,-z |
2_445 |
6 |
2 |
9092 |
40.0 |
0.7 |
0.635 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
A |
2 |
2 |
9092 |
◊ |
[EDO]B:1074 |
-x-1,y-1/2,-z |
2_445 |
2 |
1 |
183 |
35.5 |
1.5 |
0.678 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[GOL]B:1072 |
2 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
9092 |
31.1 |
0.1 |
0.582 |
0 |
0 |
0 |
0.000 |
29 |
34 |
|
[GOL]D:1072 |
2 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
9079 |
30.6 |
0.0 |
0.623 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
B |
6 |
1 |
4796 |
f |
[EDO]B:1074 |
x,y-1,z |
1_545 |
4 |
1 |
183 |
30.4 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
[GOL]A:1247 |
1 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4796 |
12.2 |
0.3 |
0.646 |
0 |
0 |
0 |
0.000 |
32 |
37 |
|
[EDO]C:1248 |
1 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
4437 |
9.5 |
0.2 |
0.906 |
0 |
0 |
0 |
0.000 |
33 |
38 |
|
A |
1 |
1 |
9092 |
x |
A |
-x,y-1/2,-z |
2_545 |
2 |
1 |
9092 |
8.8 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
34 |
39 |
|
[EDO]A:1249 |
1 |
1 |
183 |
f |
A |
x,y-1,z |
1_545 |
2 |
1 |
9092 |
8.6 |
0.1 |
0.811 |
0 |
0 |
0 |
0.000 |
35 |
40 |
|
A |
1 |
1 |
9092 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
4796 |
4.3 |
-0.1 |
0.359 |
0 |
0 |
0 |
0.000 |
41 |
|
D |
1 |
1 |
4437 |
◊ |
C |
x,y-1,z |
1_545 |
1 |
1 |
9079 |
1.0 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
Average: |
2.6 |
-0.1 |
0.443 |
0 |
0 |
0 |
0.000 |
36 |
42 |
|
[GOL]D:1073 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9079 |
2.3 |
-0.0 |
0.598 |
0 |
0 |
0 |
0.000 |
|