| ## |
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 |
|
J |
229 |
65 |
13246 |
◊ |
I |
x,y,z |
1_555 |
221 |
63 |
11427 |
2126.2 |
-27.6 |
0.024 |
30 |
5 |
1 |
1.000 |
2 |
|
U |
233 |
62 |
13240 |
◊ |
T |
x,y,z |
1_555 |
227 |
63 |
11579 |
2102.3 |
-28.6 |
0.028 |
26 |
5 |
1 |
1.000 |
3 |
|
P |
235 |
65 |
13197 |
◊ |
N |
x,y,z |
1_555 |
219 |
63 |
11482 |
2082.1 |
-29.9 |
0.018 |
26 |
4 |
1 |
1.000 |
4 |
|
E |
222 |
61 |
13271 |
◊ |
D |
x,y,z |
1_555 |
218 |
60 |
11488 |
1975.1 |
-26.7 |
0.032 |
26 |
5 |
1 |
1.000 |
| Average: |
2071.4 |
-28.2 |
0.026 |
27 |
5 |
1 |
1.000 |
| 2 |
5 |
|
B |
130 |
33 |
6771 |
◊ |
A |
x,y,z |
1_555 |
140 |
42 |
15595 |
1364.9 |
-12.1 |
0.106 |
23 |
8 |
0 |
1.000 |
6 |
|
L |
135 |
35 |
6832 |
◊ |
K |
x,y,z |
1_555 |
136 |
43 |
15638 |
1348.2 |
-9.0 |
0.219 |
15 |
6 |
0 |
1.000 |
7 |
|
R |
134 |
34 |
6801 |
◊ |
Q |
x,y,z |
1_555 |
140 |
41 |
15542 |
1344.2 |
-7.0 |
0.287 |
26 |
11 |
0 |
1.000 |
8 |
|
G |
126 |
31 |
6871 |
◊ |
F |
x,y,z |
1_555 |
137 |
40 |
15361 |
1326.6 |
-11.2 |
0.131 |
21 |
4 |
0 |
1.000 |
| Average: |
1346.0 |
-9.8 |
0.186 |
21 |
7 |
0 |
1.000 |
| 3 |
9 |
|
M |
73 |
11 |
1565 |
◊ |
F |
x,y,z |
1_555 |
117 |
34 |
15361 |
918.2 |
-8.5 |
0.361 |
15 |
4 |
0 |
0.513 |
10 |
|
H |
76 |
11 |
1528 |
◊ |
K |
x,y,z |
1_555 |
119 |
35 |
15638 |
905.9 |
-8.4 |
0.420 |
19 |
4 |
0 |
0.513 |
11 |
|
S |
69 |
11 |
1529 |
◊ |
Q |
x,y,z |
1_555 |
113 |
34 |
15542 |
896.8 |
-6.9 |
0.417 |
16 |
4 |
0 |
0.513 |
12 |
|
C |
74 |
11 |
1518 |
◊ |
A |
x,y,z |
1_555 |
116 |
35 |
15595 |
889.6 |
-9.3 |
0.325 |
17 |
4 |
0 |
0.513 |
| Average: |
902.7 |
-8.3 |
0.381 |
17 |
4 |
0 |
0.513 |
| 4 |
13 |
|
I |
76 |
24 |
11427 |
◊ |
K |
x,y,z |
1_555 |
57 |
18 |
15638 |
629.9 |
-2.3 |
0.529 |
6 |
1 |
0 |
0.000 |
| 5 |
14 |
|
D |
64 |
22 |
11488 |
◊ |
Q |
x,y,z |
1_555 |
58 |
16 |
15542 |
596.5 |
-3.0 |
0.443 |
3 |
0 |
0 |
0.000 |
15 |
|
N |
69 |
23 |
11482 |
◊ |
F |
x,y,z |
1_555 |
58 |
18 |
15361 |
582.9 |
-0.7 |
0.655 |
4 |
1 |
0 |
0.000 |
16 |
|
T |
72 |
22 |
11579 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
15595 |
544.2 |
-2.1 |
0.539 |
3 |
0 |
0 |
0.000 |
| Average: |
574.5 |
-1.9 |
0.546 |
3 |
0 |
0 |
0.000 |
| 6 |
17 |
|
J |
61 |
24 |
13246 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
65 |
21 |
15595 |
559.4 |
1.1 |
0.588 |
4 |
5 |
0 |
0.000 |
| 7 |
18 |
|
T |
52 |
16 |
11579 |
◊ |
Q |
x,y,z |
1_555 |
58 |
15 |
15542 |
516.7 |
-1.2 |
0.539 |
3 |
0 |
0 |
0.000 |
19 |
|
I |
47 |
15 |
11427 |
◊ |
F |
x,y,z |
1_555 |
58 |
15 |
15361 |
486.4 |
-4.4 |
0.282 |
4 |
0 |
0 |
0.000 |
20 |
|
D |
45 |
15 |
11488 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
15595 |
464.3 |
-2.9 |
0.355 |
4 |
0 |
0 |
0.000 |
| Average: |
489.1 |
-2.8 |
0.392 |
4 |
0 |
0 |
0.000 |
| 8 |
21 |
|
N |
44 |
15 |
11482 |
◊ |
K |
x,y,z |
1_555 |
59 |
15 |
15638 |
494.7 |
-3.2 |
0.385 |
6 |
1 |
0 |
0.000 |
| 9 |
22 |
|
F |
55 |
18 |
15361 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
59 |
20 |
13197 |
440.7 |
-1.4 |
0.485 |
5 |
0 |
0 |
0.000 |
| 10 |
23 |
|
T |
46 |
14 |
11579 |
◊ |
D |
x,y,z |
1_555 |
43 |
14 |
11488 |
429.6 |
-5.1 |
0.275 |
4 |
0 |
0 |
0.000 |
24 |
|
N |
42 |
14 |
11482 |
◊ |
I |
x,y,z |
1_555 |
41 |
12 |
11427 |
429.2 |
-5.2 |
0.272 |
4 |
0 |
0 |
0.000 |
| Average: |
429.4 |
-5.2 |
0.273 |
4 |
0 |
0 |
0.000 |
| 11 |
25 |
|
K |
49 |
19 |
15638 |
◊ |
U |
-x,y-1/2,-z+1 |
2_546 |
51 |
17 |
13240 |
413.6 |
-1.2 |
0.520 |
2 |
0 |
0 |
0.000 |
| 12 |
26 |
|
E |
41 |
10 |
13271 |
◊ |
A |
x,y,z |
1_555 |
52 |
15 |
15595 |
408.9 |
4.2 |
0.850 |
13 |
2 |
0 |
0.000 |
27 |
|
J |
38 |
10 |
13246 |
◊ |
F |
x,y,z |
1_555 |
58 |
14 |
15361 |
400.8 |
3.0 |
0.788 |
9 |
2 |
0 |
0.000 |
28 |
|
P |
39 |
10 |
13197 |
◊ |
K |
x,y,z |
1_555 |
52 |
15 |
15638 |
399.1 |
3.8 |
0.844 |
13 |
1 |
0 |
0.000 |
29 |
|
U |
41 |
11 |
13240 |
◊ |
Q |
x,y,z |
1_555 |
53 |
15 |
15542 |
390.3 |
2.0 |
0.667 |
9 |
0 |
0 |
0.000 |
| Average: |
399.8 |
3.3 |
0.787 |
11 |
1 |
0 |
0.000 |
| 13 |
30 |
|
A |
40 |
12 |
15595 |
◊ |
U |
-x+1,y-1/2,-z+1 |
2_646 |
38 |
11 |
13240 |
338.3 |
0.7 |
0.657 |
5 |
1 |
0 |
0.000 |
| 14 |
31 |
|
E |
31 |
12 |
13271 |
◊ |
F |
x,y,z |
1_555 |
40 |
13 |
15361 |
305.4 |
-1.6 |
0.416 |
2 |
0 |
0 |
0.000 |
32 |
|
J |
26 |
10 |
13246 |
◊ |
A |
x,y,z |
1_555 |
37 |
13 |
15595 |
300.4 |
-2.4 |
0.275 |
1 |
0 |
0 |
0.000 |
| Average: |
302.9 |
-2.0 |
0.346 |
2 |
0 |
0 |
0.000 |
| 15 |
33 |
|
D |
31 |
9 |
11488 |
◊ |
F |
x,y,z |
1_555 |
33 |
12 |
15361 |
297.2 |
-1.9 |
0.422 |
1 |
2 |
0 |
0.000 |
34 |
|
I |
27 |
8 |
11427 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
15595 |
277.3 |
-1.6 |
0.453 |
3 |
0 |
0 |
0.000 |
| Average: |
287.2 |
-1.8 |
0.437 |
2 |
1 |
0 |
0.000 |
| 16 |
35 |
|
E |
41 |
14 |
13271 |
◊ |
Q |
-x+1,y-1/2,-z |
2_645 |
35 |
13 |
15542 |
286.8 |
-1.4 |
0.431 |
4 |
0 |
0 |
0.000 |
| 17 |
36 |
|
L |
26 |
8 |
6832 |
◊ |
U |
-x,y-1/2,-z+1 |
2_546 |
30 |
11 |
13240 |
258.7 |
-2.5 |
0.324 |
3 |
0 |
0 |
0.000 |
| 18 |
37 |
|
J |
30 |
9 |
13246 |
◊ |
M |
x,y,z |
1_555 |
24 |
6 |
1565 |
247.3 |
-0.1 |
0.735 |
4 |
0 |
0 |
0.000 |
38 |
|
U |
33 |
10 |
13240 |
◊ |
S |
x,y,z |
1_555 |
29 |
6 |
1529 |
245.6 |
-0.4 |
0.729 |
5 |
0 |
0 |
0.000 |
39 |
|
E |
32 |
9 |
13271 |
◊ |
C |
x,y,z |
1_555 |
26 |
6 |
1518 |
244.9 |
0.0 |
0.784 |
3 |
0 |
0 |
0.000 |
40 |
|
P |
28 |
9 |
13197 |
◊ |
H |
x,y,z |
1_555 |
27 |
6 |
1528 |
237.3 |
-0.1 |
0.768 |
3 |
0 |
0 |
0.000 |
| Average: |
243.8 |
-0.1 |
0.754 |
4 |
0 |
0 |
0.000 |
| 19 |
41 |
|
L |
32 |
8 |
6832 |
◊ |
A |
x-1,y,z |
1_455 |
31 |
10 |
15595 |
238.9 |
-1.5 |
0.378 |
1 |
0 |
0 |
0.000 |
| 20 |
42 |
|
K |
23 |
6 |
15638 |
◊ |
A |
x-1,y,z |
1_455 |
32 |
9 |
15595 |
219.4 |
-0.2 |
0.546 |
3 |
1 |
0 |
0.000 |
| 21 |
43 |
|
G |
27 |
7 |
6871 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
18 |
5 |
13271 |
207.1 |
0.6 |
0.533 |
1 |
2 |
0 |
0.000 |
| 22 |
44 |
|
E |
17 |
6 |
13271 |
◊ |
U |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
6 |
13240 |
194.9 |
-0.2 |
0.550 |
2 |
3 |
0 |
0.000 |
| 23 |
45 |
|
K |
19 |
7 |
15638 |
◊ |
T |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
11579 |
185.6 |
0.7 |
0.712 |
2 |
0 |
0 |
0.000 |
| 24 |
46 |
|
F |
20 |
7 |
15361 |
◊ |
J |
x,y,z-1 |
1_554 |
19 |
6 |
13246 |
184.8 |
-1.0 |
0.367 |
1 |
0 |
0 |
0.000 |
| 25 |
47 |
|
N |
21 |
7 |
11482 |
◊ |
Q |
x,y,z |
1_555 |
13 |
6 |
15542 |
170.1 |
1.8 |
0.678 |
1 |
0 |
0 |
0.000 |
| 26 |
48 |
|
E |
21 |
9 |
13271 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
8 |
15595 |
155.3 |
1.0 |
0.696 |
3 |
2 |
0 |
0.000 |
| 27 |
49 |
|
G |
20 |
7 |
6871 |
◊ |
Q |
x,y-1,z |
1_545 |
14 |
5 |
15542 |
144.0 |
-1.6 |
0.293 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
Q |
19 |
5 |
15542 |
◊ |
A |
x,y,z-1 |
1_554 |
17 |
5 |
15595 |
135.8 |
1.6 |
0.760 |
0 |
0 |
0 |
0.000 |
| 29 |
51 |
|
Q |
14 |
3 |
15542 |
◊ |
U |
x,y,z-1 |
1_554 |
17 |
6 |
13240 |
134.0 |
-2.3 |
0.212 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
P |
15 |
4 |
13197 |
◊ |
U |
-x,y-1/2,-z |
2_545 |
17 |
5 |
13240 |
132.2 |
0.2 |
0.625 |
2 |
1 |
0 |
0.000 |
| 31 |
53 |
|
F |
17 |
7 |
15361 |
◊ |
Q |
x,y-1,z |
1_545 |
18 |
5 |
15542 |
130.5 |
-0.6 |
0.359 |
1 |
0 |
0 |
0.000 |
| 32 |
54 |
|
P |
13 |
6 |
13197 |
◊ |
Q |
-x,y-1/2,-z |
2_545 |
16 |
5 |
15542 |
124.8 |
-1.9 |
0.229 |
1 |
0 |
0 |
0.000 |
| 33 |
55 |
|
P |
13 |
4 |
13197 |
◊ |
K |
x,y,z-1 |
1_554 |
12 |
5 |
15638 |
110.6 |
1.3 |
0.750 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
Q |
13 |
4 |
15542 |
◊ |
T |
x,y,z-1 |
1_554 |
12 |
2 |
11579 |
100.3 |
1.4 |
0.765 |
1 |
0 |
0 |
0.000 |
| 35 |
57 |
|
U |
10 |
3 |
13240 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
15638 |
99.8 |
-0.6 |
0.442 |
1 |
0 |
0 |
0.000 |
| 36 |
58 |
|
G |
11 |
4 |
6871 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
9 |
2 |
11488 |
88.9 |
0.2 |
0.585 |
1 |
0 |
0 |
0.000 |
| 37 |
59 |
|
L |
8 |
2 |
6832 |
◊ |
B |
x-1,y,z |
1_455 |
16 |
5 |
6771 |
85.3 |
-0.9 |
0.449 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
P |
10 |
4 |
13197 |
◊ |
Q |
x,y,z |
1_555 |
13 |
5 |
15542 |
83.3 |
-0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
| 39 |
61 |
|
N |
12 |
3 |
11482 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
1528 |
82.6 |
-1.1 |
0.449 |
1 |
0 |
0 |
0.000 |
| 40 |
62 |
|
I |
14 |
3 |
11427 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
1565 |
82.6 |
-0.8 |
0.528 |
2 |
0 |
0 |
0.000 |
63 |
|
T |
13 |
3 |
11579 |
◊ |
S |
x,y,z |
1_555 |
8 |
3 |
1529 |
81.6 |
-1.0 |
0.477 |
0 |
0 |
0 |
0.000 |
64 |
|
D |
9 |
3 |
11488 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
1518 |
78.2 |
-1.0 |
0.439 |
1 |
0 |
0 |
0.000 |
| Average: |
80.8 |
-0.9 |
0.481 |
1 |
0 |
0 |
0.000 |
| 41 |
65 |
|
J |
8 |
4 |
13246 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
4 |
6771 |
77.8 |
1.6 |
0.871 |
1 |
0 |
0 |
0.000 |
| 42 |
66 |
|
F |
12 |
5 |
15361 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
3 |
15595 |
77.7 |
-0.2 |
0.498 |
0 |
0 |
0 |
0.000 |
| 43 |
67 |
|
D |
7 |
3 |
11488 |
◊ |
Q |
-x+1,y-1/2,-z |
2_645 |
6 |
4 |
15542 |
75.0 |
1.0 |
0.616 |
1 |
0 |
0 |
0.000 |
| 44 |
68 |
|
J |
9 |
4 |
13246 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
12 |
5 |
11579 |
69.0 |
-0.5 |
0.459 |
0 |
0 |
0 |
0.000 |
| 45 |
69 |
|
N |
9 |
3 |
11482 |
◊ |
K |
x,y,z-1 |
1_554 |
7 |
4 |
15638 |
68.6 |
-0.1 |
0.458 |
1 |
0 |
0 |
0.000 |
| 46 |
70 |
|
B |
4 |
1 |
6771 |
◊ |
Q |
-x+1,y-1/2,-z+1 |
2_646 |
10 |
3 |
15542 |
56.1 |
0.4 |
0.528 |
1 |
0 |
0 |
0.000 |
| 47 |
71 |
|
T |
10 |
4 |
11579 |
◊ |
K |
x,y,z |
1_555 |
8 |
5 |
15638 |
55.6 |
-0.2 |
0.580 |
0 |
0 |
0 |
0.000 |
| 48 |
72 |
|
G |
7 |
2 |
6871 |
◊ |
R |
x,y-1,z |
1_545 |
3 |
2 |
6801 |
51.8 |
-0.5 |
0.406 |
1 |
0 |
0 |
0.000 |
| 49 |
73 |
|
G |
6 |
2 |
6871 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
7 |
2 |
13197 |
51.1 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
| 50 |
74 |
|
F |
8 |
3 |
15361 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
6 |
1 |
13271 |
50.7 |
-0.2 |
0.536 |
0 |
0 |
0 |
0.000 |
| 51 |
75 |
|
J |
9 |
4 |
13246 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
6 |
3 |
6832 |
45.7 |
0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
| 52 |
76 |
|
K |
10 |
3 |
15638 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
7 |
2 |
6801 |
41.1 |
-0.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 53 |
77 |
|
B |
9 |
4 |
6771 |
◊ |
U |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
4 |
13240 |
35.8 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 54 |
78 |
|
I |
5 |
3 |
11427 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
6832 |
31.8 |
1.4 |
0.857 |
0 |
0 |
0 |
0.000 |
| 55 |
79 |
|
P |
5 |
2 |
13197 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
5 |
3 |
6801 |
30.4 |
1.0 |
0.815 |
0 |
0 |
0 |
0.000 |
| 56 |
80 |
|
A |
2 |
2 |
15595 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
11579 |
29.9 |
-0.4 |
0.276 |
0 |
0 |
0 |
0.000 |
| 57 |
81 |
|
J |
2 |
2 |
13246 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
6771 |
29.5 |
0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 58 |
82 |
|
J |
5 |
3 |
13246 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
15638 |
28.8 |
0.2 |
0.630 |
0 |
0 |
0 |
0.000 |
| 59 |
83 |
|
E |
3 |
2 |
13271 |
◊ |
R |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
6801 |
22.1 |
0.3 |
0.655 |
0 |
0 |
0 |
0.000 |
| 60 |
84 |
|
P |
3 |
1 |
13197 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
15361 |
17.5 |
0.4 |
0.708 |
0 |
0 |
0 |
0.000 |
85 |
|
E |
1 |
1 |
13271 |
◊ |
Q |
x,y,z |
1_555 |
3 |
2 |
15542 |
9.0 |
-0.0 |
0.407 |
0 |
0 |
0 |
0.000 |
86 |
|
U |
2 |
1 |
13240 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
15595 |
8.9 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
| Average: |
11.8 |
0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
| 61 |
87 |
|
E |
2 |
2 |
13271 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
6871 |
11.8 |
-0.5 |
0.324 |
0 |
0 |
0 |
0.000 |
| 62 |
88 |
|
B |
3 |
2 |
6771 |
◊ |
T |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11579 |
10.5 |
0.4 |
0.736 |
0 |
0 |
0 |
0.000 |
| 63 |
89 |
|
I |
2 |
2 |
11427 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11488 |
8.0 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
| 64 |
90 |
|
L |
1 |
1 |
6832 |
◊ |
T |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
11579 |
5.9 |
0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
| 65 |
91 |
|
F |
2 |
1 |
15361 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
1 |
1 |
11482 |
4.2 |
0.1 |
0.676 |
0 |
0 |
0 |
0.000 |
| 66 |
92 |
|
D |
1 |
1 |
11488 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
6871 |
3.7 |
-0.1 |
0.505 |
0 |
0 |
0 |
0.000 |
| 67 |
93 |
|
I |
1 |
1 |
11427 |
◊ |
U |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
13240 |
1.9 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
| 68 |
94 |
|
E |
1 |
1 |
13271 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
11488 |
1.2 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
|