## |
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 |
|
F |
212 |
52 |
6629 |
◊ |
E |
x,y,z |
1_555 |
223 |
50 |
6625 |
2175.2 |
-38.2 |
0.057 |
21 |
3 |
0 |
1.000 |
2 |
|
J |
210 |
52 |
6593 |
◊ |
I |
x,y,z |
1_555 |
222 |
49 |
6567 |
2155.7 |
-37.1 |
0.099 |
21 |
1 |
0 |
1.000 |
3 |
|
B |
205 |
50 |
6327 |
◊ |
A |
x,y,z |
1_555 |
209 |
48 |
6564 |
2089.9 |
-35.3 |
0.085 |
19 |
3 |
0 |
1.000 |
Average: |
2140.3 |
-36.9 |
0.080 |
20 |
2 |
0 |
1.000 |
2 |
4 |
|
G |
130 |
29 |
7145 |
◊ |
F |
x,y,z |
1_555 |
138 |
32 |
6629 |
1251.8 |
-3.4 |
0.819 |
24 |
14 |
0 |
1.000 |
5 |
|
K |
132 |
29 |
7044 |
◊ |
J |
x,y,z |
1_555 |
137 |
32 |
6593 |
1239.5 |
-2.6 |
0.806 |
24 |
17 |
0 |
1.000 |
6 |
|
C |
128 |
27 |
6386 |
◊ |
B |
x,y,z |
1_555 |
136 |
30 |
6327 |
1156.9 |
-4.9 |
0.662 |
21 |
14 |
0 |
1.000 |
Average: |
1216.0 |
-3.6 |
0.762 |
23 |
15 |
0 |
1.000 |
3 |
7 |
|
G |
95 |
27 |
7145 |
◊ |
E |
x,y,z |
1_555 |
85 |
21 |
6625 |
890.5 |
-4.6 |
0.649 |
19 |
11 |
0 |
1.000 |
8 |
|
K |
91 |
27 |
7044 |
◊ |
I |
x,y,z |
1_555 |
86 |
21 |
6567 |
869.7 |
-5.4 |
0.600 |
14 |
8 |
0 |
1.000 |
9 |
|
C |
96 |
27 |
6386 |
◊ |
A |
x,y,z |
1_555 |
86 |
20 |
6564 |
850.0 |
-4.4 |
0.581 |
16 |
9 |
0 |
1.000 |
Average: |
870.0 |
-4.8 |
0.610 |
16 |
9 |
0 |
1.000 |
4 |
10 |
|
L |
50 |
15 |
3462 |
◊ |
I |
x,y,z |
1_555 |
68 |
19 |
6567 |
600.0 |
-10.1 |
0.246 |
8 |
7 |
0 |
1.000 |
11 |
|
D |
56 |
15 |
3361 |
◊ |
E |
x,y,z |
1_555 |
67 |
19 |
6625 |
596.6 |
-10.6 |
0.205 |
6 |
7 |
0 |
1.000 |
12 |
|
H |
59 |
15 |
3406 |
◊ |
A |
x,y,z |
1_555 |
64 |
19 |
6564 |
588.8 |
-10.8 |
0.217 |
7 |
7 |
0 |
1.000 |
Average: |
595.1 |
-10.5 |
0.223 |
7 |
7 |
0 |
1.000 |
5 |
13 |
|
G |
37 |
6 |
7145 |
◊ |
J |
x,y,z |
1_555 |
42 |
12 |
6593 |
371.2 |
-2.2 |
0.606 |
6 |
4 |
0 |
0.000 |
14 |
|
F |
43 |
12 |
6629 |
◊ |
K |
x-1,y,z |
1_455 |
30 |
6 |
7044 |
334.0 |
-2.4 |
0.563 |
5 |
4 |
0 |
0.000 |
Average: |
352.6 |
-2.3 |
0.585 |
6 |
4 |
0 |
0.000 |
6 |
15 |
|
L |
36 |
9 |
3462 |
◊ |
J |
x,y,z |
1_555 |
33 |
9 |
6593 |
341.3 |
-6.8 |
0.172 |
1 |
1 |
0 |
0.075 |
16 |
|
D |
34 |
9 |
3361 |
◊ |
F |
x,y,z |
1_555 |
36 |
11 |
6629 |
338.6 |
-6.9 |
0.170 |
0 |
1 |
0 |
0.075 |
17 |
|
H |
36 |
9 |
3406 |
◊ |
B |
x,y,z |
1_555 |
34 |
10 |
6327 |
336.3 |
-6.9 |
0.135 |
0 |
1 |
0 |
0.075 |
Average: |
338.7 |
-6.9 |
0.159 |
0 |
1 |
0 |
0.075 |
7 |
18 |
|
G |
33 |
8 |
7145 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
32 |
8 |
7044 |
286.5 |
-1.0 |
0.662 |
11 |
4 |
0 |
0.000 |
19 |
|
C |
32 |
7 |
6386 |
◊ |
C |
x,-y,-z |
4_555 |
32 |
7 |
6386 |
282.9 |
-1.0 |
0.602 |
10 |
4 |
0 |
0.000 |
Average: |
284.7 |
-1.0 |
0.632 |
11 |
4 |
0 |
0.000 |
8 |
20 |
|
C |
33 |
8 |
6386 |
◊ |
K |
x-1/2,-y+1/2,-z |
8_455 |
32 |
8 |
7044 |
280.3 |
-6.0 |
0.203 |
0 |
0 |
0 |
0.000 |
21 |
|
G |
32 |
8 |
7145 |
◊ |
G |
-x,y,-z+1/2 |
3_555 |
32 |
8 |
7145 |
278.0 |
-6.0 |
0.249 |
0 |
0 |
0 |
0.000 |
Average: |
279.2 |
-6.0 |
0.226 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
G |
24 |
9 |
7145 |
◊ |
E |
x-1,y,z |
1_455 |
26 |
6 |
6625 |
258.9 |
-1.5 |
0.493 |
3 |
2 |
0 |
0.000 |
23 |
|
A |
25 |
7 |
6564 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
11 |
6386 |
227.0 |
-2.8 |
0.369 |
1 |
0 |
0 |
0.000 |
24 |
|
K |
19 |
7 |
7044 |
◊ |
I |
x-1,y,z |
1_455 |
20 |
5 |
6567 |
193.4 |
-3.4 |
0.337 |
0 |
0 |
0 |
0.000 |
Average: |
226.4 |
-2.5 |
0.399 |
1 |
1 |
0 |
0.000 |
10 |
25 |
|
D |
24 |
7 |
3361 |
◊ |
D |
-x,y,-z+1/2 |
3_555 |
24 |
7 |
3361 |
258.6 |
1.7 |
0.848 |
6 |
4 |
0 |
0.000 |
26 |
|
H |
27 |
7 |
3406 |
◊ |
L |
x-1/2,-y+1/2,-z |
8_455 |
25 |
8 |
3462 |
231.1 |
1.2 |
0.800 |
1 |
2 |
0 |
0.000 |
Average: |
244.9 |
1.4 |
0.824 |
4 |
3 |
0 |
0.000 |
11 |
27 |
|
H |
14 |
6 |
3406 |
◊ |
C |
x-1,y,z |
1_455 |
23 |
9 |
6386 |
165.8 |
-1.5 |
0.476 |
1 |
0 |
0 |
0.000 |
28 |
|
K |
21 |
9 |
7044 |
◊ |
L |
x-1,y,z |
1_455 |
11 |
6 |
3462 |
154.6 |
-2.7 |
0.245 |
1 |
0 |
0 |
0.000 |
29 |
|
G |
20 |
9 |
7145 |
◊ |
D |
x-1,y,z |
1_455 |
13 |
6 |
3361 |
152.0 |
-2.6 |
0.301 |
0 |
0 |
0 |
0.000 |
Average: |
157.5 |
-2.3 |
0.341 |
1 |
0 |
0 |
0.000 |
12 |
30 |
|
A |
17 |
3 |
6564 |
◊ |
J |
x-1/2,-y+1/2,-z |
8_455 |
25 |
7 |
6593 |
164.6 |
-1.0 |
0.662 |
3 |
0 |
0 |
0.000 |
31 |
|
F |
20 |
5 |
6629 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
12 |
2 |
6625 |
135.7 |
0.0 |
0.593 |
0 |
5 |
0 |
0.000 |
32 |
|
B |
19 |
6 |
6327 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
13 |
2 |
6567 |
119.3 |
-1.6 |
0.500 |
0 |
0 |
0 |
0.000 |
Average: |
139.9 |
-0.9 |
0.585 |
1 |
2 |
0 |
0.000 |
13 |
33 |
|
K |
22 |
8 |
7044 |
◊ |
K |
-x+1,y,-z+1/2 |
3_655 |
22 |
8 |
7044 |
161.5 |
-0.8 |
0.624 |
0 |
0 |
0 |
0.000 |
14 |
34 |
|
G |
16 |
5 |
7145 |
◊ |
L |
x-1/2,y-1/2,z |
5_445 |
15 |
4 |
3462 |
155.4 |
-1.5 |
0.489 |
2 |
0 |
0 |
0.000 |
35 |
|
H |
12 |
3 |
3406 |
◊ |
C |
x,-y,-z |
4_555 |
16 |
6 |
6386 |
142.1 |
-1.0 |
0.516 |
1 |
0 |
0 |
0.000 |
36 |
|
D |
12 |
4 |
3361 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
17 |
5 |
7044 |
137.4 |
-1.5 |
0.474 |
2 |
0 |
0 |
0.000 |
Average: |
145.0 |
-1.4 |
0.493 |
2 |
0 |
0 |
0.000 |
15 |
37 |
|
G |
15 |
6 |
7145 |
◊ |
C |
x,y,z |
1_555 |
21 |
6 |
6386 |
139.3 |
-0.4 |
0.633 |
0 |
0 |
0 |
0.000 |
16 |
38 |
|
K |
17 |
7 |
7044 |
◊ |
G |
x,y,z |
1_555 |
16 |
4 |
7145 |
132.7 |
0.5 |
0.746 |
1 |
3 |
0 |
0.000 |
39 |
|
G |
14 |
5 |
7145 |
◊ |
K |
x-1,y,z |
1_455 |
13 |
3 |
7044 |
114.8 |
-0.3 |
0.636 |
1 |
3 |
0 |
0.000 |
Average: |
123.8 |
0.1 |
0.691 |
1 |
3 |
0 |
0.000 |
17 |
40 |
|
C |
11 |
4 |
6386 |
◊ |
B |
x,-y,-z |
4_555 |
10 |
3 |
6327 |
91.0 |
0.4 |
0.657 |
1 |
2 |
0 |
0.000 |
41 |
|
F |
10 |
3 |
6629 |
◊ |
K |
x-1/2,y-1/2,z |
5_445 |
9 |
3 |
7044 |
88.9 |
0.3 |
0.648 |
1 |
2 |
0 |
0.000 |
42 |
|
G |
9 |
3 |
7145 |
◊ |
J |
x-1/2,y-1/2,z |
5_445 |
10 |
3 |
6593 |
85.1 |
0.5 |
0.682 |
1 |
2 |
0 |
0.000 |
Average: |
88.3 |
0.4 |
0.662 |
1 |
2 |
0 |
0.000 |
18 |
43 |
|
[SO4]B:202 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
6327 |
75.8 |
-9.8 |
0.919 |
3 |
0 |
0 |
0.240 |
19 |
44 |
|
A |
6 |
2 |
6564 |
◊ |
K |
x-1/2,-y+1/2,-z |
8_455 |
8 |
4 |
7044 |
74.3 |
-1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
45 |
|
G |
4 |
3 |
7145 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
6625 |
38.2 |
-0.9 |
0.281 |
0 |
0 |
0 |
0.000 |
46 |
|
C |
4 |
3 |
6386 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
6567 |
35.4 |
-0.9 |
0.272 |
0 |
0 |
0 |
0.000 |
Average: |
49.3 |
-1.1 |
0.301 |
0 |
0 |
0 |
0.000 |
20 |
47 |
|
[SO4]B:201 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
6327 |
71.5 |
-10.2 |
0.823 |
3 |
0 |
0 |
0.247 |
21 |
48 |
|
K |
9 |
2 |
7044 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
6629 |
71.3 |
0.3 |
0.667 |
0 |
0 |
0 |
0.000 |
49 |
|
G |
8 |
2 |
7145 |
◊ |
J |
x-1,y,z |
1_455 |
7 |
4 |
6593 |
61.6 |
0.6 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
66.4 |
0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
22 |
50 |
|
L |
8 |
4 |
3462 |
◊ |
K |
x,y,z |
1_555 |
8 |
2 |
7044 |
66.2 |
-0.3 |
0.562 |
1 |
0 |
0 |
0.027 |
51 |
|
H |
7 |
3 |
3406 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6386 |
47.3 |
-0.3 |
0.592 |
1 |
0 |
0 |
0.027 |
52 |
|
D |
6 |
4 |
3361 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
7145 |
46.9 |
-0.1 |
0.611 |
1 |
0 |
0 |
0.027 |
Average: |
53.5 |
-0.2 |
0.588 |
1 |
0 |
0 |
0.027 |
23 |
53 |
|
C |
4 |
1 |
6386 |
◊ |
F |
x,y,z |
1_555 |
7 |
3 |
6629 |
58.0 |
1.0 |
0.807 |
2 |
2 |
0 |
0.000 |
54 |
|
G |
3 |
1 |
7145 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
6327 |
29.8 |
0.2 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
43.9 |
0.6 |
0.745 |
1 |
1 |
0 |
0.000 |
24 |
55 |
|
K |
6 |
2 |
7044 |
◊ |
J |
-x+1,y,-z+1/2 |
3_655 |
6 |
3 |
6593 |
56.4 |
0.5 |
0.701 |
1 |
2 |
0 |
0.000 |
25 |
56 |
|
C |
5 |
1 |
6386 |
◊ |
B |
x-1/2,-y+1/2,-z |
8_455 |
7 |
2 |
6327 |
55.6 |
0.3 |
0.663 |
1 |
0 |
0 |
0.000 |
26 |
57 |
|
E |
5 |
2 |
6625 |
◊ |
D |
x-1,y,z |
1_455 |
10 |
3 |
3361 |
54.7 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
58 |
|
H |
9 |
3 |
3406 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
6564 |
53.2 |
-0.4 |
0.525 |
0 |
0 |
0 |
0.000 |
59 |
|
I |
6 |
2 |
6567 |
◊ |
L |
x-1,y,z |
1_455 |
9 |
2 |
3462 |
53.0 |
-0.2 |
0.572 |
0 |
0 |
0 |
0.000 |
Average: |
53.6 |
-0.3 |
0.546 |
0 |
0 |
0 |
0.000 |
27 |
60 |
|
E |
7 |
3 |
6625 |
◊ |
K |
x-1,y,z |
1_455 |
5 |
1 |
7044 |
49.3 |
0.4 |
0.763 |
2 |
4 |
0 |
0.000 |
61 |
|
G |
5 |
1 |
7145 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
6567 |
49.0 |
0.5 |
0.781 |
2 |
4 |
0 |
0.000 |
Average: |
49.1 |
0.5 |
0.772 |
2 |
4 |
0 |
0.000 |
28 |
62 |
|
B |
5 |
1 |
6327 |
◊ |
J |
x-1/2,-y+1/2,-z |
8_455 |
5 |
1 |
6593 |
48.3 |
1.5 |
0.867 |
0 |
0 |
0 |
0.000 |
63 |
|
F |
4 |
1 |
6629 |
◊ |
F |
-x,y,-z+1/2 |
3_555 |
4 |
1 |
6629 |
38.0 |
1.8 |
0.901 |
0 |
0 |
0 |
0.000 |
Average: |
43.1 |
1.7 |
0.884 |
0 |
0 |
0 |
0.000 |
29 |
64 |
|
[SO4]B:201 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
6564 |
44.4 |
-5.1 |
0.908 |
2 |
0 |
0 |
0.083 |
30 |
65 |
|
[SO4]B:201 |
3 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
6386 |
43.4 |
-5.7 |
0.675 |
0 |
0 |
0 |
0.123 |
31 |
66 |
|
C |
5 |
3 |
6386 |
◊ |
J |
x-1/2,-y+1/2,-z |
8_455 |
2 |
1 |
6593 |
40.7 |
0.7 |
0.658 |
0 |
0 |
0 |
0.000 |
67 |
|
B |
2 |
1 |
6327 |
◊ |
K |
x-1/2,-y+1/2,-z |
8_455 |
6 |
3 |
7044 |
35.9 |
1.0 |
0.762 |
1 |
0 |
0 |
0.000 |
68 |
|
G |
4 |
2 |
7145 |
◊ |
F |
-x,y,-z+1/2 |
3_555 |
2 |
1 |
6629 |
24.2 |
-0.4 |
0.418 |
0 |
0 |
0 |
0.000 |
Average: |
33.6 |
0.4 |
0.613 |
0 |
0 |
0 |
0.000 |
32 |
69 |
|
F |
4 |
1 |
6629 |
◊ |
J |
x-1,y,z |
1_455 |
5 |
1 |
6593 |
37.1 |
0.7 |
0.817 |
1 |
0 |
0 |
0.000 |
33 |
70 |
|
G |
2 |
2 |
7145 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6564 |
18.4 |
0.4 |
0.778 |
0 |
0 |
0 |
0.000 |
34 |
71 |
|
E |
3 |
1 |
6625 |
◊ |
E |
-x,y,-z+1/2 |
3_555 |
3 |
1 |
6625 |
16.2 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
72 |
|
A |
3 |
2 |
6564 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
3 |
2 |
6567 |
13.1 |
-0.0 |
0.615 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.1 |
0.687 |
0 |
0 |
0 |
0.000 |
35 |
73 |
|
[SO4]B:202 |
2 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6386 |
16.2 |
-1.8 |
0.843 |
0 |
0 |
0 |
0.039 |
36 |
74 |
|
K |
1 |
1 |
7044 |
◊ |
I |
-x+1,y,-z+1/2 |
3_655 |
2 |
1 |
6567 |
15.1 |
0.3 |
0.811 |
0 |
0 |
0 |
0.000 |
37 |
75 |
|
D |
5 |
2 |
3361 |
◊ |
J |
x-1/2,y-1/2,z |
5_445 |
4 |
2 |
6593 |
14.3 |
0.8 |
0.776 |
0 |
0 |
0 |
0.000 |
38 |
76 |
|
A |
1 |
1 |
6564 |
x |
A |
x-1,y,z |
1_455 |
2 |
1 |
6564 |
13.9 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
77 |
|
E |
2 |
1 |
6625 |
x |
E |
x-1,y,z |
1_455 |
2 |
2 |
6625 |
12.5 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
Average: |
13.2 |
0.1 |
0.688 |
0 |
0 |
0 |
0.000 |
39 |
78 |
|
F |
2 |
1 |
6629 |
◊ |
L |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
3462 |
8.2 |
0.8 |
0.809 |
0 |
0 |
0 |
0.000 |
40 |
79 |
|
H |
1 |
1 |
3406 |
x |
H |
x-1,y,z |
1_455 |
2 |
1 |
3406 |
7.3 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
80 |
|
D |
2 |
1 |
3361 |
x |
D |
x-1,y,z |
1_455 |
1 |
1 |
3361 |
5.2 |
0.1 |
0.756 |
0 |
0 |
0 |
0.000 |
81 |
|
L |
1 |
1 |
3462 |
x |
L |
x-1,y,z |
1_455 |
1 |
1 |
3462 |
0.9 |
0.0 |
0.742 |
0 |
0 |
0 |
0.000 |
Average: |
4.5 |
0.1 |
0.748 |
0 |
0 |
0 |
0.000 |
41 |
82 |
|
G |
2 |
1 |
7145 |
x |
G |
x-1,y,z |
1_455 |
1 |
1 |
7145 |
4.3 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
|