## |
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 |
|
I |
146 |
15 |
3956 |
◊ |
A |
x,y,z |
1_555 |
197 |
68 |
22203 |
1627.2 |
-41.6 |
0.174 |
27 |
0 |
0 |
0.950 |
2 |
|
C |
151 |
15 |
3947 |
◊ |
B |
x,y,z |
1_555 |
197 |
68 |
22429 |
1603.0 |
-39.2 |
0.245 |
24 |
0 |
0 |
0.950 |
3 |
|
F |
148 |
15 |
4007 |
◊ |
E |
x,y,z |
1_555 |
195 |
67 |
22382 |
1601.6 |
-41.6 |
0.199 |
22 |
0 |
0 |
0.950 |
4 |
|
K |
147 |
15 |
3924 |
◊ |
H |
x,y,z |
1_555 |
197 |
69 |
22454 |
1585.1 |
-40.4 |
0.237 |
22 |
0 |
0 |
0.950 |
Average: |
1604.2 |
-40.7 |
0.214 |
24 |
0 |
0 |
0.950 |
2 |
5 |
|
H |
91 |
23 |
22454 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
83 |
24 |
22429 |
904.7 |
-11.8 |
0.158 |
3 |
0 |
0 |
0.100 |
3 |
6 |
|
G |
77 |
17 |
3939 |
◊ |
F |
x,y,z |
1_555 |
94 |
16 |
4007 |
770.0 |
-7.9 |
0.727 |
43 |
0 |
0 |
1.000 |
7 |
|
J |
69 |
17 |
3964 |
◊ |
I |
x,y,z |
1_555 |
88 |
16 |
3956 |
742.4 |
-9.8 |
0.647 |
42 |
0 |
0 |
1.000 |
8 |
|
L |
72 |
17 |
4004 |
◊ |
K |
x,y,z |
1_555 |
90 |
16 |
3924 |
742.1 |
-10.1 |
0.689 |
40 |
0 |
0 |
1.000 |
9 |
|
D |
64 |
17 |
3946 |
◊ |
C |
x,y,z |
1_555 |
86 |
16 |
3947 |
735.7 |
-9.8 |
0.627 |
40 |
0 |
0 |
1.000 |
Average: |
747.6 |
-9.4 |
0.673 |
41 |
0 |
0 |
1.000 |
4 |
10 |
|
H |
70 |
25 |
22454 |
◊ |
A |
x-1,y,z |
1_455 |
72 |
24 |
22203 |
688.5 |
-13.9 |
0.029 |
0 |
0 |
0 |
0.000 |
11 |
|
E |
48 |
18 |
22382 |
◊ |
B |
x,y,z |
1_555 |
49 |
17 |
22429 |
510.3 |
-11.4 |
0.021 |
0 |
0 |
0 |
0.000 |
Average: |
599.4 |
-12.7 |
0.025 |
0 |
0 |
0 |
0.000 |
5 |
12 |
|
A |
70 |
18 |
22203 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
66 |
17 |
22382 |
620.0 |
-10.6 |
0.106 |
4 |
0 |
0 |
0.065 |
6 |
13 |
|
H |
35 |
13 |
22454 |
◊ |
E |
x,y-1,z |
1_545 |
38 |
11 |
22382 |
393.6 |
-4.9 |
0.226 |
1 |
0 |
0 |
0.000 |
7 |
14 |
|
H |
45 |
15 |
22454 |
◊ |
B |
-x-1,y-1/2,-z+1 |
2_446 |
38 |
14 |
22429 |
347.1 |
-3.6 |
0.446 |
1 |
0 |
0 |
0.000 |
8 |
15 |
|
H |
35 |
9 |
22454 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
22382 |
301.7 |
-3.2 |
0.351 |
0 |
0 |
0 |
0.000 |
9 |
16 |
|
A |
33 |
12 |
22203 |
◊ |
E |
-x,y-1/2,-z |
2_545 |
37 |
14 |
22382 |
284.5 |
-3.0 |
0.440 |
0 |
0 |
0 |
0.000 |
10 |
17 |
|
G |
31 |
12 |
3939 |
◊ |
E |
x,y,z |
1_555 |
29 |
16 |
22382 |
262.6 |
-2.9 |
0.362 |
3 |
0 |
0 |
0.049 |
18 |
|
D |
30 |
12 |
3946 |
◊ |
B |
x,y,z |
1_555 |
25 |
15 |
22429 |
236.2 |
-2.3 |
0.405 |
2 |
0 |
0 |
0.049 |
19 |
|
L |
30 |
12 |
4004 |
◊ |
H |
x,y,z |
1_555 |
23 |
16 |
22454 |
234.1 |
-3.0 |
0.375 |
2 |
0 |
0 |
0.049 |
20 |
|
J |
26 |
12 |
3964 |
◊ |
A |
x,y,z |
1_555 |
20 |
15 |
22203 |
209.9 |
-2.3 |
0.376 |
2 |
0 |
0 |
0.049 |
Average: |
235.7 |
-2.6 |
0.379 |
2 |
0 |
0 |
0.049 |
11 |
21 |
|
H |
22 |
4 |
22454 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
8 |
22429 |
241.5 |
-3.7 |
0.231 |
0 |
0 |
0 |
0.000 |
12 |
22 |
|
[5HC]F:6 |
21 |
1 |
471 |
cf |
F |
x,y,z |
1_555 |
29 |
2 |
4007 |
224.6 |
2.2 |
0.843 |
1 |
0 |
0 |
0.000 |
23 |
|
[5HC]K:6 |
21 |
1 |
472 |
cf |
K |
x,y,z |
1_555 |
27 |
2 |
3924 |
224.5 |
2.0 |
0.850 |
1 |
0 |
0 |
0.000 |
24 |
|
[5HC]I:6 |
20 |
1 |
473 |
cf |
I |
x,y,z |
1_555 |
27 |
2 |
3956 |
223.3 |
2.0 |
0.849 |
1 |
0 |
0 |
0.000 |
25 |
|
[5HC]C:6 |
21 |
1 |
470 |
cf |
C |
x,y,z |
1_555 |
27 |
2 |
3947 |
221.3 |
2.0 |
0.834 |
1 |
0 |
0 |
0.000 |
Average: |
223.4 |
2.0 |
0.844 |
1 |
0 |
0 |
0.000 |
13 |
26 |
|
B |
20 |
7 |
22429 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
22203 |
176.5 |
-1.4 |
0.434 |
0 |
0 |
0 |
0.000 |
14 |
27 |
|
A |
20 |
8 |
22203 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
7 |
22429 |
174.2 |
-1.4 |
0.494 |
1 |
0 |
0 |
0.000 |
15 |
28 |
|
E |
18 |
5 |
22382 |
x |
E |
-x-1,y-1/2,-z |
2_445 |
17 |
8 |
22382 |
167.7 |
-1.6 |
0.452 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[5HC]C:6 |
17 |
1 |
470 |
◊ |
B |
x,y,z |
1_555 |
28 |
12 |
22429 |
166.2 |
-4.1 |
0.404 |
1 |
0 |
0 |
0.086 |
30 |
|
[5HC]K:6 |
16 |
1 |
472 |
◊ |
H |
x,y,z |
1_555 |
28 |
12 |
22454 |
165.9 |
-4.1 |
0.400 |
1 |
0 |
0 |
0.086 |
31 |
|
[5HC]I:6 |
16 |
1 |
473 |
◊ |
A |
x,y,z |
1_555 |
28 |
12 |
22203 |
164.9 |
-4.0 |
0.420 |
1 |
0 |
0 |
0.086 |
32 |
|
[5HC]F:6 |
17 |
1 |
471 |
◊ |
E |
x,y,z |
1_555 |
27 |
11 |
22382 |
164.1 |
-4.1 |
0.399 |
1 |
0 |
0 |
0.086 |
Average: |
165.3 |
-4.1 |
0.406 |
1 |
0 |
0 |
0.086 |
17 |
33 |
|
J |
17 |
2 |
3964 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
13 |
7 |
22203 |
142.8 |
0.4 |
0.540 |
1 |
0 |
0 |
0.000 |
18 |
34 |
|
I |
16 |
3 |
3956 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
18 |
3 |
22382 |
141.6 |
-1.0 |
0.430 |
1 |
0 |
0 |
0.010 |
35 |
|
A |
12 |
3 |
22203 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
13 |
3 |
4007 |
101.3 |
0.0 |
0.638 |
1 |
0 |
0 |
0.010 |
Average: |
121.5 |
-0.5 |
0.534 |
1 |
0 |
0 |
0.010 |
19 |
36 |
|
D |
15 |
1 |
3946 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
16 |
7 |
22429 |
136.7 |
1.2 |
0.548 |
0 |
0 |
0 |
0.000 |
20 |
37 |
|
K |
16 |
2 |
3924 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
4 |
22203 |
132.5 |
0.0 |
0.585 |
1 |
0 |
0 |
0.000 |
38 |
|
C |
13 |
2 |
3947 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
22382 |
119.2 |
0.7 |
0.442 |
0 |
0 |
0 |
0.000 |
39 |
|
H |
16 |
4 |
22454 |
◊ |
I |
x-1,y,z |
1_455 |
11 |
2 |
3956 |
106.1 |
0.6 |
0.534 |
0 |
0 |
0 |
0.000 |
40 |
|
F |
6 |
1 |
4007 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
22429 |
37.4 |
0.1 |
0.649 |
0 |
0 |
0 |
0.000 |
Average: |
98.8 |
0.4 |
0.552 |
0 |
0 |
0 |
0.000 |
21 |
41 |
|
B |
19 |
8 |
22429 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
14 |
5 |
22429 |
129.0 |
-1.0 |
0.519 |
0 |
0 |
0 |
0.000 |
22 |
42 |
|
C |
13 |
1 |
3947 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
22429 |
125.6 |
-2.0 |
0.445 |
0 |
0 |
0 |
0.000 |
23 |
43 |
|
H |
18 |
5 |
22454 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
16 |
2 |
3947 |
114.2 |
1.8 |
0.755 |
0 |
0 |
0 |
0.000 |
24 |
44 |
|
I |
15 |
2 |
3956 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
12 |
3 |
22203 |
102.8 |
-1.2 |
0.570 |
0 |
0 |
0 |
0.000 |
25 |
45 |
|
K |
8 |
2 |
3924 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
12 |
4 |
22429 |
86.6 |
-0.8 |
0.582 |
1 |
0 |
0 |
0.000 |
26 |
46 |
|
A |
5 |
1 |
22203 |
◊ |
G |
-x-1,y-1/2,-z |
2_445 |
12 |
2 |
3939 |
85.1 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.003 |
47 |
|
J |
12 |
3 |
3964 |
◊ |
E |
-x-1,y-1/2,-z |
2_445 |
5 |
1 |
22382 |
75.9 |
-0.1 |
0.533 |
1 |
0 |
0 |
0.003 |
Average: |
80.5 |
-0.1 |
0.562 |
1 |
0 |
0 |
0.003 |
27 |
48 |
|
[5HC]I:6 |
6 |
1 |
473 |
◊ |
J |
x,y,z |
1_555 |
8 |
3 |
3964 |
67.8 |
0.9 |
0.641 |
3 |
0 |
0 |
0.028 |
49 |
|
[5HC]C:6 |
6 |
1 |
470 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
3946 |
67.0 |
0.8 |
0.628 |
3 |
0 |
0 |
0.028 |
50 |
|
[5HC]K:6 |
6 |
1 |
472 |
◊ |
L |
x,y,z |
1_555 |
8 |
3 |
4004 |
66.5 |
0.6 |
0.617 |
3 |
0 |
0 |
0.028 |
51 |
|
[5HC]F:6 |
6 |
1 |
471 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
3939 |
66.2 |
0.6 |
0.608 |
3 |
0 |
0 |
0.028 |
Average: |
66.9 |
0.7 |
0.624 |
3 |
0 |
0 |
0.028 |
28 |
52 |
|
L |
6 |
2 |
4004 |
◊ |
A |
x-1,y,z |
1_455 |
9 |
3 |
22203 |
56.8 |
0.9 |
0.691 |
0 |
0 |
0 |
0.000 |
53 |
|
D |
5 |
1 |
3946 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
22382 |
18.9 |
0.2 |
0.527 |
0 |
0 |
0 |
0.000 |
54 |
|
H |
3 |
2 |
22454 |
◊ |
J |
x-1,y,z |
1_455 |
4 |
1 |
3964 |
14.7 |
0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
Average: |
30.1 |
0.5 |
0.608 |
0 |
0 |
0 |
0.000 |
29 |
55 |
|
H |
7 |
1 |
22454 |
x |
H |
-x-1,y-1/2,-z+1 |
2_446 |
5 |
1 |
22454 |
50.3 |
-0.5 |
0.507 |
0 |
0 |
0 |
0.000 |
30 |
56 |
|
A |
13 |
6 |
22203 |
◊ |
E |
x,y-1,z |
1_545 |
7 |
6 |
22382 |
48.8 |
-1.4 |
0.328 |
0 |
0 |
0 |
0.000 |
31 |
57 |
|
L |
9 |
3 |
4004 |
◊ |
B |
x,y-1,z |
1_545 |
5 |
2 |
22429 |
44.0 |
-0.4 |
0.587 |
0 |
0 |
0 |
0.000 |
32 |
58 |
|
H |
1 |
1 |
22454 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
3946 |
19.7 |
-0.3 |
0.537 |
1 |
0 |
0 |
0.000 |
33 |
59 |
|
A |
2 |
1 |
22203 |
x |
A |
-x,y-1/2,-z |
2_545 |
4 |
1 |
22203 |
18.5 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
34 |
60 |
|
F |
2 |
1 |
4007 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
22203 |
11.4 |
-0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
35 |
61 |
|
G |
1 |
1 |
3939 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
22203 |
7.1 |
0.0 |
0.386 |
0 |
0 |
0 |
0.000 |
36 |
62 |
|
K |
1 |
1 |
3924 |
◊ |
B |
x,y-1,z |
1_545 |
2 |
1 |
22429 |
6.4 |
0.0 |
0.559 |
0 |
0 |
0 |
0.000 |
37 |
63 |
|
H |
1 |
1 |
22454 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
22429 |
3.8 |
-0.1 |
0.371 |
0 |
0 |
0 |
0.000 |
|