## |
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 |
|
C |
139 |
14 |
4553 |
◊ |
A |
x,y,z |
1_555 |
166 |
56 |
39246 |
1280.2 |
-6.1 |
0.727 |
18 |
0 |
0 |
0.356 |
2 |
|
E |
141 |
14 |
4394 |
◊ |
B |
x,y,z |
1_555 |
149 |
53 |
38892 |
1242.5 |
-11.5 |
0.689 |
18 |
0 |
0 |
0.356 |
Average: |
1261.3 |
-8.8 |
0.708 |
18 |
0 |
0 |
0.356 |
2 |
3 |
|
A |
110 |
33 |
39246 |
x |
A |
-x,y-1/2,-z |
2_545 |
112 |
39 |
39246 |
1011.4 |
-8.9 |
0.248 |
9 |
4 |
0 |
0.000 |
4 |
|
B |
93 |
30 |
38892 |
x |
B |
-x-1,y-1/2,-z-1 |
2_444 |
95 |
32 |
38892 |
849.2 |
-9.6 |
0.315 |
5 |
3 |
0 |
0.000 |
Average: |
930.3 |
-9.2 |
0.281 |
7 |
4 |
0 |
0.000 |
3 |
5 |
|
B |
64 |
19 |
38892 |
◊ |
A |
x,y,z-1 |
1_554 |
71 |
23 |
39246 |
674.7 |
-8.3 |
0.173 |
4 |
2 |
0 |
0.051 |
4 |
6 |
|
D |
75 |
13 |
3070 |
◊ |
C |
x,y,z |
1_555 |
71 |
16 |
4553 |
637.4 |
-7.4 |
0.656 |
33 |
0 |
0 |
1.000 |
7 |
|
F |
72 |
13 |
3083 |
◊ |
E |
x,y,z |
1_555 |
72 |
16 |
4394 |
635.2 |
-8.5 |
0.644 |
35 |
0 |
0 |
1.000 |
Average: |
636.3 |
-7.9 |
0.650 |
34 |
0 |
0 |
1.000 |
5 |
8 |
|
F |
63 |
7 |
3083 |
◊ |
B |
x,y,z |
1_555 |
79 |
28 |
38892 |
616.6 |
-11.7 |
0.460 |
18 |
0 |
0 |
0.355 |
9 |
|
D |
65 |
7 |
3070 |
◊ |
A |
x,y,z |
1_555 |
82 |
30 |
39246 |
612.9 |
-11.2 |
0.419 |
17 |
0 |
0 |
0.355 |
Average: |
614.7 |
-11.5 |
0.439 |
18 |
0 |
0 |
0.355 |
6 |
10 |
|
[XG4]A:1001 |
28 |
1 |
632 |
f |
A |
x,y,z |
1_555 |
48 |
19 |
39246 |
363.1 |
1.6 |
0.692 |
8 |
0 |
0 |
0.016 |
7 |
11 |
|
[XG4]B:1001 |
25 |
1 |
612 |
◊ |
B |
x,y,z |
1_555 |
45 |
16 |
38892 |
326.1 |
2.5 |
0.741 |
5 |
0 |
0 |
0.000 |
8 |
12 |
|
[XG4]B:1002 |
26 |
1 |
609 |
f |
B |
x,y,z |
1_555 |
39 |
17 |
38892 |
288.5 |
0.9 |
0.671 |
7 |
0 |
0 |
0.040 |
13 |
|
[XG4]C:101 |
29 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
44 |
20 |
39246 |
277.0 |
0.2 |
0.589 |
6 |
0 |
0 |
0.040 |
Average: |
282.8 |
0.5 |
0.630 |
7 |
0 |
0 |
0.040 |
9 |
14 |
|
B |
23 |
5 |
38892 |
◊ |
A |
x-1,y,z-1 |
1_454 |
28 |
9 |
39246 |
233.1 |
-5.2 |
0.063 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
A |
19 |
6 |
39246 |
x |
A |
x-1,y,z |
1_455 |
20 |
7 |
39246 |
173.3 |
-0.4 |
0.461 |
2 |
3 |
0 |
0.000 |
11 |
16 |
|
[SO4]A:1007 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
39246 |
113.1 |
-16.2 |
0.696 |
1 |
0 |
0 |
0.136 |
12 |
17 |
|
[GOL]A:1009 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
39246 |
110.0 |
-0.7 |
0.490 |
3 |
0 |
0 |
0.017 |
13 |
18 |
|
[SO4]A:1003 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
39246 |
108.4 |
-15.6 |
0.822 |
8 |
0 |
0 |
0.157 |
14 |
19 |
|
[XG4]B:1002 |
17 |
1 |
609 |
◊ |
F |
x,y,z |
1_555 |
12 |
1 |
3083 |
103.4 |
1.6 |
0.643 |
1 |
0 |
0 |
0.000 |
20 |
|
[XG4]C:101 |
17 |
1 |
612 |
◊ |
D |
x,y,z |
1_555 |
13 |
1 |
3070 |
94.6 |
1.5 |
0.642 |
0 |
0 |
0 |
0.000 |
Average: |
99.0 |
1.5 |
0.643 |
1 |
0 |
0 |
0.000 |
15 |
21 |
|
[XG4]B:1002 |
12 |
1 |
609 |
◊ |
E |
x,y,z |
1_555 |
12 |
2 |
4394 |
102.5 |
2.1 |
0.706 |
3 |
0 |
0 |
0.000 |
22 |
|
[XG4]C:101 |
12 |
1 |
612 |
◊ |
C |
x,y,z |
1_555 |
14 |
2 |
4553 |
96.4 |
1.9 |
0.692 |
3 |
0 |
0 |
0.000 |
Average: |
99.4 |
2.0 |
0.699 |
3 |
0 |
0 |
0.000 |
16 |
23 |
|
[SO4]B:1003 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
38892 |
101.8 |
-14.7 |
0.880 |
7 |
0 |
0 |
0.325 |
17 |
24 |
|
F |
14 |
1 |
3083 |
◊ |
C |
x-1,y,z-1 |
1_454 |
12 |
1 |
4553 |
100.8 |
1.3 |
0.717 |
2 |
0 |
0 |
0.000 |
18 |
25 |
|
E |
12 |
2 |
4394 |
◊ |
C |
x-1,y,z-1 |
1_454 |
15 |
3 |
4553 |
100.4 |
0.4 |
0.650 |
1 |
0 |
0 |
0.000 |
19 |
26 |
|
B |
12 |
7 |
38892 |
x |
B |
x-1,y,z |
1_455 |
10 |
5 |
38892 |
91.2 |
0.2 |
0.541 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[SO4]A:1004 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
39246 |
90.7 |
-12.6 |
0.835 |
3 |
0 |
0 |
0.114 |
21 |
28 |
|
[GOL]A:1008 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
39246 |
90.4 |
-0.9 |
0.464 |
1 |
0 |
0 |
0.011 |
22 |
29 |
|
[SO4]A:1006 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
4 |
39246 |
78.2 |
-11.3 |
0.759 |
2 |
0 |
0 |
0.100 |
23 |
30 |
|
B |
14 |
4 |
38892 |
◊ |
[GOL]A:1009 |
x,y,z-1 |
1_554 |
5 |
1 |
220 |
72.8 |
-0.8 |
0.474 |
0 |
0 |
0 |
0.004 |
24 |
31 |
|
[XG4]C:101 |
12 |
1 |
612 |
f |
[GOL]A:1008 |
x,y,z |
1_555 |
6 |
1 |
212 |
67.0 |
-0.6 |
0.462 |
4 |
0 |
0 |
0.020 |
25 |
32 |
|
[SO4]A:1005 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
39246 |
64.1 |
-9.1 |
0.665 |
3 |
0 |
0 |
0.085 |
26 |
33 |
|
F |
4 |
1 |
3083 |
◊ |
D |
x-1,y,z-1 |
1_454 |
10 |
1 |
3070 |
52.9 |
0.8 |
0.627 |
0 |
0 |
0 |
0.000 |
27 |
34 |
|
[NA]A:1010 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
39246 |
51.5 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.066 |
28 |
35 |
|
B |
5 |
4 |
38892 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
39246 |
43.1 |
-0.7 |
0.387 |
0 |
0 |
0 |
0.000 |
29 |
36 |
|
[NA]A:1010 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
3070 |
38.6 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.036 |
30 |
37 |
|
[CA]B:1004 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
38892 |
33.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.091 |
38 |
|
[CA]A:1002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
39246 |
30.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
32.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.091 |
31 |
39 |
|
[XG4]B:1002 |
6 |
1 |
609 |
f |
[CA]B:1004 |
x,y,z |
1_555 |
1 |
1 |
85 |
31.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.123 |
40 |
|
[XG4]C:101 |
6 |
1 |
612 |
f |
[CA]A:1002 |
x,y,z |
1_555 |
1 |
1 |
85 |
29.7 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
30.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.123 |
32 |
41 |
|
[XG4]B:1002 |
4 |
1 |
609 |
f |
[SO4]B:1003 |
x,y,z |
1_555 |
3 |
1 |
186 |
29.5 |
-3.8 |
0.629 |
0 |
0 |
0 |
0.069 |
33 |
42 |
|
[XG4]C:101 |
3 |
1 |
612 |
f |
[SO4]A:1003 |
x,y,z |
1_555 |
3 |
1 |
185 |
24.7 |
-3.4 |
0.594 |
0 |
0 |
0 |
0.028 |
34 |
43 |
|
[SO4]A:1006 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
38892 |
23.2 |
-3.4 |
0.443 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
B |
3 |
2 |
38892 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
39246 |
23.0 |
-0.1 |
0.449 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
A |
3 |
2 |
39246 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
2 |
3070 |
23.0 |
-1.1 |
0.396 |
0 |
0 |
0 |
0.006 |
46 |
|
B |
1 |
1 |
38892 |
◊ |
F |
-x-1,y-1/2,-z-1 |
2_444 |
1 |
1 |
3083 |
8.7 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.006 |
Average: |
15.8 |
-0.6 |
0.405 |
0 |
0 |
0 |
0.006 |
37 |
47 |
|
[GOL]A:1008 |
2 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
3070 |
21.8 |
0.4 |
0.661 |
0 |
0 |
0 |
0.000 |
38 |
48 |
|
[SO4]A:1006 |
2 |
1 |
185 |
f |
[XG4]A:1001 |
x,y,z |
1_555 |
2 |
1 |
632 |
13.8 |
-2.3 |
0.506 |
0 |
0 |
0 |
0.019 |
39 |
49 |
|
B |
1 |
1 |
38892 |
◊ |
[SO4]A:1005 |
x,y,z-1 |
1_554 |
3 |
1 |
185 |
11.0 |
-1.2 |
0.439 |
0 |
0 |
0 |
0.006 |
40 |
50 |
|
[XG4]B:1001 |
3 |
1 |
612 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
39246 |
10.1 |
-0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
41 |
51 |
|
[CA]A:1002 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
3070 |
7.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.015 |
52 |
|
[CA]B:1004 |
1 |
1 |
85 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
3083 |
6.6 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
7.1 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.015 |
42 |
53 |
|
[GOL]A:1008 |
1 |
1 |
212 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
4553 |
4.1 |
0.1 |
0.508 |
0 |
0 |
0 |
0.000 |
43 |
54 |
|
[SO4]A:1003 |
1 |
1 |
185 |
f |
[CA]A:1002 |
x,y,z |
1_555 |
1 |
1 |
85 |
4.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.009 |
44 |
55 |
|
[SO4]B:1003 |
1 |
1 |
186 |
f |
[CA]B:1004 |
x,y,z |
1_555 |
1 |
1 |
85 |
2.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
|