| ## |
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 |
|
X |
100 |
23 |
3906 |
◊ |
W |
x,y,z |
1_555 |
108 |
25 |
4732 |
940.5 |
-17.6 |
0.406 |
4 |
2 |
0 |
1.000 |
2 |
|
L |
96 |
24 |
4192 |
◊ |
K |
x,y,z |
1_555 |
104 |
23 |
4539 |
935.5 |
-16.5 |
0.435 |
9 |
2 |
0 |
1.000 |
3 |
|
T |
94 |
23 |
3851 |
◊ |
S |
x,y,z |
1_555 |
110 |
26 |
4701 |
920.9 |
-16.4 |
0.441 |
7 |
2 |
0 |
1.000 |
4 |
|
R |
98 |
23 |
3800 |
◊ |
Q |
x,y,z |
1_555 |
99 |
24 |
4604 |
905.9 |
-17.6 |
0.396 |
7 |
2 |
0 |
1.000 |
5 |
|
V |
95 |
23 |
3932 |
◊ |
U |
x,y,z |
1_555 |
105 |
25 |
4736 |
905.5 |
-18.3 |
0.368 |
8 |
2 |
0 |
1.000 |
6 |
|
P |
91 |
22 |
3823 |
◊ |
O |
x,y,z |
1_555 |
104 |
23 |
4703 |
901.1 |
-16.0 |
0.468 |
7 |
2 |
0 |
1.000 |
7 |
|
B |
94 |
23 |
4025 |
◊ |
A |
x,y,z |
1_555 |
100 |
24 |
4721 |
898.5 |
-16.8 |
0.371 |
7 |
0 |
0 |
1.000 |
8 |
|
N |
100 |
23 |
3763 |
◊ |
M |
x,y,z |
1_555 |
101 |
25 |
4450 |
897.2 |
-17.0 |
0.530 |
9 |
2 |
0 |
1.000 |
9 |
|
H |
100 |
22 |
3737 |
◊ |
G |
x,y,z |
1_555 |
102 |
24 |
4591 |
889.8 |
-17.8 |
0.451 |
6 |
2 |
0 |
1.000 |
10 |
|
F |
96 |
22 |
3760 |
◊ |
E |
x,y,z |
1_555 |
95 |
22 |
4546 |
855.9 |
-16.4 |
0.462 |
6 |
2 |
0 |
1.000 |
11 |
|
D |
85 |
21 |
3780 |
◊ |
C |
x,y,z |
1_555 |
100 |
23 |
4498 |
855.0 |
-16.5 |
0.404 |
4 |
0 |
0 |
1.000 |
12 |
|
J |
89 |
21 |
3715 |
◊ |
I |
x,y,z |
1_555 |
99 |
23 |
4713 |
835.9 |
-16.3 |
0.429 |
4 |
0 |
0 |
1.000 |
| Average: |
895.1 |
-16.9 |
0.430 |
7 |
2 |
0 |
1.000 |
| 2 |
13 |
|
X |
69 |
19 |
3906 |
◊ |
U |
x,y,z |
1_555 |
82 |
23 |
4736 |
801.1 |
-13.7 |
0.359 |
4 |
2 |
0 |
1.000 |
14 |
|
L |
75 |
19 |
4192 |
◊ |
I |
x,y,z |
1_555 |
77 |
21 |
4713 |
782.4 |
-13.7 |
0.492 |
5 |
2 |
0 |
1.000 |
15 |
|
V |
75 |
20 |
3932 |
◊ |
S |
x,y,z |
1_555 |
85 |
24 |
4701 |
781.7 |
-13.5 |
0.467 |
4 |
2 |
0 |
1.000 |
16 |
|
T |
76 |
20 |
3851 |
◊ |
W |
x,y,z |
1_555 |
84 |
24 |
4732 |
773.6 |
-13.9 |
0.381 |
5 |
2 |
0 |
1.000 |
17 |
|
N |
75 |
18 |
3763 |
◊ |
Q |
x,y,z |
1_555 |
79 |
23 |
4604 |
764.6 |
-13.9 |
0.492 |
5 |
2 |
0 |
1.000 |
18 |
|
B |
73 |
21 |
4025 |
◊ |
E |
x,y,z |
1_555 |
77 |
20 |
4546 |
753.4 |
-13.0 |
0.441 |
6 |
2 |
0 |
1.000 |
19 |
|
H |
70 |
19 |
3737 |
◊ |
K |
x,y,z |
1_555 |
77 |
21 |
4539 |
753.0 |
-13.5 |
0.444 |
4 |
2 |
0 |
1.000 |
20 |
|
P |
73 |
18 |
3823 |
◊ |
M |
x,y,z |
1_555 |
77 |
21 |
4450 |
734.7 |
-14.1 |
0.462 |
5 |
2 |
0 |
1.000 |
21 |
|
D |
71 |
18 |
3780 |
◊ |
A |
x,y,z |
1_555 |
75 |
22 |
4721 |
734.4 |
-13.2 |
0.376 |
5 |
1 |
0 |
1.000 |
22 |
|
R |
68 |
18 |
3800 |
◊ |
O |
x,y,z |
1_555 |
76 |
20 |
4703 |
729.3 |
-13.8 |
0.433 |
5 |
2 |
0 |
1.000 |
23 |
|
J |
66 |
18 |
3715 |
◊ |
G |
x,y,z |
1_555 |
78 |
21 |
4591 |
727.7 |
-12.2 |
0.482 |
5 |
2 |
0 |
1.000 |
24 |
|
F |
63 |
16 |
3760 |
◊ |
C |
x,y,z |
1_555 |
74 |
20 |
4498 |
711.6 |
-12.5 |
0.456 |
4 |
2 |
0 |
1.000 |
| Average: |
754.0 |
-13.4 |
0.440 |
5 |
2 |
0 |
1.000 |
| 3 |
25 |
|
W |
75 |
22 |
4732 |
◊ |
S |
x,y,z |
1_555 |
61 |
21 |
4701 |
695.3 |
-19.2 |
0.068 |
1 |
0 |
0 |
1.000 |
26 |
|
Q |
62 |
21 |
4604 |
◊ |
O |
x,y,z |
1_555 |
71 |
21 |
4703 |
687.6 |
-19.2 |
0.105 |
1 |
0 |
0 |
1.000 |
27 |
|
I |
64 |
21 |
4713 |
◊ |
G |
x,y,z |
1_555 |
68 |
23 |
4591 |
685.9 |
-18.5 |
0.124 |
1 |
0 |
0 |
1.000 |
28 |
|
Q |
68 |
22 |
4604 |
◊ |
M |
x,y,z |
1_555 |
65 |
20 |
4450 |
679.8 |
-19.5 |
0.100 |
1 |
0 |
0 |
1.000 |
29 |
|
C |
59 |
21 |
4498 |
◊ |
A |
x,y,z |
1_555 |
71 |
22 |
4721 |
677.9 |
-18.7 |
0.087 |
1 |
0 |
0 |
1.000 |
30 |
|
E |
63 |
21 |
4546 |
◊ |
C |
x,y,z |
1_555 |
72 |
22 |
4498 |
677.0 |
-18.1 |
0.145 |
1 |
0 |
0 |
1.000 |
31 |
|
E |
69 |
21 |
4546 |
◊ |
A |
x,y,z |
1_555 |
56 |
21 |
4721 |
674.0 |
-19.0 |
0.060 |
1 |
0 |
0 |
1.000 |
32 |
|
W |
59 |
21 |
4732 |
◊ |
U |
x,y,z |
1_555 |
67 |
22 |
4736 |
664.8 |
-18.4 |
0.054 |
1 |
0 |
0 |
1.000 |
33 |
|
U |
60 |
21 |
4736 |
◊ |
S |
x,y,z |
1_555 |
68 |
21 |
4701 |
651.5 |
-18.6 |
0.078 |
1 |
0 |
0 |
1.000 |
34 |
|
K |
62 |
22 |
4539 |
◊ |
G |
x,y,z |
1_555 |
60 |
21 |
4591 |
633.7 |
-17.2 |
0.112 |
1 |
0 |
0 |
1.000 |
35 |
|
O |
61 |
22 |
4703 |
◊ |
M |
x,y,z |
1_555 |
76 |
20 |
4450 |
629.2 |
-17.1 |
0.192 |
1 |
0 |
0 |
1.000 |
36 |
|
K |
61 |
20 |
4539 |
◊ |
I |
x,y,z |
1_555 |
64 |
22 |
4713 |
626.8 |
-16.6 |
0.131 |
1 |
0 |
0 |
1.000 |
| Average: |
665.3 |
-18.4 |
0.105 |
1 |
0 |
0 |
1.000 |
| 4 |
37 |
|
J |
32 |
7 |
3715 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
4025 |
268.0 |
-0.2 |
0.858 |
3 |
4 |
0 |
0.000 |
38 |
|
H |
25 |
7 |
3737 |
◊ |
D |
x,y,z |
1_555 |
27 |
7 |
3780 |
263.5 |
-0.3 |
0.815 |
2 |
3 |
0 |
0.000 |
39 |
|
X |
20 |
7 |
3906 |
◊ |
N |
x,y,z |
1_555 |
25 |
7 |
3763 |
196.1 |
-0.6 |
0.795 |
2 |
4 |
0 |
0.000 |
40 |
|
T |
28 |
7 |
3851 |
◊ |
R |
x,y,z |
1_555 |
20 |
7 |
3800 |
193.7 |
-1.1 |
0.773 |
0 |
5 |
0 |
0.000 |
| Average: |
230.3 |
-0.5 |
0.810 |
2 |
4 |
0 |
0.000 |
| 5 |
41 |
|
R |
30 |
7 |
3800 |
◊ |
L |
x,y,z |
1_555 |
28 |
9 |
4192 |
230.0 |
-1.4 |
0.810 |
3 |
4 |
0 |
0.000 |
42 |
|
P |
19 |
6 |
3823 |
◊ |
H |
x,y,z |
1_555 |
27 |
7 |
3737 |
212.3 |
-1.3 |
0.761 |
2 |
5 |
0 |
0.000 |
43 |
|
F |
19 |
7 |
3760 |
◊ |
X |
x,y,z-1 |
1_554 |
28 |
7 |
3906 |
211.3 |
-1.7 |
0.728 |
0 |
3 |
0 |
0.000 |
44 |
|
B |
27 |
7 |
4025 |
◊ |
V |
x,y,z-1 |
1_554 |
21 |
6 |
3932 |
201.1 |
-1.3 |
0.737 |
0 |
5 |
0 |
0.000 |
| Average: |
213.7 |
-1.4 |
0.759 |
1 |
4 |
0 |
0.000 |
| 6 |
45 |
|
T |
16 |
4 |
3851 |
◊ |
O |
x-1,y+1,z |
1_465 |
14 |
3 |
4703 |
161.2 |
-0.9 |
0.601 |
1 |
2 |
0 |
0.000 |
| 7 |
46 |
|
F |
13 |
4 |
3760 |
◊ |
V |
x,y,z-1 |
1_554 |
14 |
4 |
3932 |
149.2 |
2.2 |
0.945 |
3 |
4 |
0 |
0.000 |
47 |
|
P |
15 |
4 |
3823 |
◊ |
L |
x,y,z |
1_555 |
13 |
4 |
4192 |
140.7 |
2.8 |
0.971 |
3 |
4 |
0 |
0.000 |
| Average: |
145.0 |
2.5 |
0.958 |
3 |
4 |
0 |
0.000 |
| 8 |
48 |
|
F |
18 |
5 |
3760 |
◊ |
U |
x,y,z-1 |
1_554 |
14 |
6 |
4736 |
132.9 |
-0.5 |
0.804 |
0 |
0 |
0 |
0.000 |
49 |
|
P |
19 |
6 |
3823 |
◊ |
K |
x,y,z |
1_555 |
14 |
6 |
4539 |
129.7 |
-0.7 |
0.802 |
1 |
0 |
0 |
0.000 |
50 |
|
E |
14 |
6 |
4546 |
◊ |
V |
x,y,z-1 |
1_554 |
16 |
5 |
3932 |
127.6 |
-0.5 |
0.805 |
1 |
0 |
0 |
0.000 |
51 |
|
L |
16 |
5 |
4192 |
◊ |
O |
x,y,z |
1_555 |
10 |
5 |
4703 |
114.0 |
-0.4 |
0.812 |
1 |
0 |
0 |
0.000 |
| Average: |
126.1 |
-0.5 |
0.806 |
1 |
0 |
0 |
0.000 |
| 9 |
52 |
|
G |
9 |
7 |
4591 |
◊ |
A |
x,y,z |
1_555 |
10 |
7 |
4721 |
104.9 |
-0.7 |
0.753 |
0 |
0 |
0 |
0.000 |
53 |
|
E |
4 |
4 |
4546 |
◊ |
U |
x,y,z-1 |
1_554 |
6 |
4 |
4736 |
49.6 |
-0.6 |
0.603 |
0 |
0 |
0 |
0.000 |
54 |
|
O |
5 |
4 |
4703 |
◊ |
K |
x,y,z |
1_555 |
6 |
4 |
4539 |
47.8 |
-0.7 |
0.638 |
0 |
0 |
0 |
0.000 |
| Average: |
67.4 |
-0.7 |
0.664 |
0 |
0 |
0 |
0.000 |
| 10 |
55 |
|
H |
8 |
4 |
3737 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
4721 |
94.0 |
0.3 |
0.834 |
1 |
0 |
0 |
0.000 |
56 |
|
B |
9 |
4 |
4025 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
4591 |
80.0 |
-0.1 |
0.762 |
0 |
0 |
0 |
0.000 |
57 |
|
X |
6 |
3 |
3906 |
◊ |
Q |
x,y,z |
1_555 |
8 |
4 |
4604 |
60.7 |
0.3 |
0.822 |
1 |
0 |
0 |
0.000 |
58 |
|
R |
6 |
3 |
3800 |
◊ |
W |
x,y,z |
1_555 |
7 |
3 |
4732 |
49.8 |
0.2 |
0.779 |
0 |
0 |
0 |
0.000 |
| Average: |
71.1 |
0.2 |
0.799 |
1 |
0 |
0 |
0.000 |
| 11 |
59 |
|
X |
8 |
4 |
3906 |
◊ |
L |
x,y,z |
1_555 |
12 |
3 |
4192 |
78.7 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
| 12 |
60 |
|
J |
14 |
5 |
3715 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
4721 |
76.5 |
0.9 |
0.899 |
1 |
1 |
0 |
0.000 |
61 |
|
N |
13 |
5 |
3763 |
◊ |
W |
x,y,z |
1_555 |
7 |
3 |
4732 |
61.7 |
0.9 |
0.843 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
9 |
3 |
3780 |
◊ |
G |
x,y,z |
1_555 |
10 |
5 |
4591 |
51.5 |
0.3 |
0.836 |
0 |
0 |
0 |
0.000 |
63 |
|
T |
6 |
4 |
3851 |
◊ |
Q |
x,y,z |
1_555 |
6 |
3 |
4604 |
23.2 |
0.2 |
0.806 |
0 |
0 |
0 |
0.000 |
| Average: |
53.2 |
0.6 |
0.846 |
0 |
0 |
0 |
0.000 |
| 13 |
64 |
|
H |
5 |
3 |
3737 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
4025 |
62.3 |
1.0 |
0.872 |
0 |
0 |
0 |
0.000 |
65 |
|
X |
3 |
2 |
3906 |
◊ |
R |
x,y,z |
1_555 |
3 |
1 |
3800 |
15.7 |
0.2 |
0.765 |
0 |
0 |
0 |
0.000 |
| Average: |
39.0 |
0.6 |
0.819 |
0 |
0 |
0 |
0.000 |
| 14 |
66 |
|
T |
5 |
2 |
3851 |
◊ |
D |
x-1,y,z+1 |
1_456 |
6 |
3 |
3780 |
62.2 |
-1.9 |
0.260 |
0 |
0 |
0 |
0.000 |
| 15 |
67 |
|
E |
4 |
1 |
4546 |
◊ |
L |
x-1,y+1,z |
1_465 |
7 |
2 |
4192 |
46.7 |
0.4 |
0.829 |
1 |
0 |
0 |
0.000 |
68 |
|
P |
5 |
2 |
3823 |
◊ |
U |
x,y-1,z |
1_545 |
4 |
1 |
4736 |
41.8 |
0.4 |
0.813 |
0 |
0 |
0 |
0.000 |
| Average: |
44.3 |
0.4 |
0.821 |
1 |
0 |
0 |
0.000 |
| 16 |
69 |
|
L |
6 |
2 |
4192 |
◊ |
W |
x,y,z |
1_555 |
6 |
2 |
4732 |
45.3 |
-0.0 |
0.755 |
0 |
0 |
0 |
0.000 |
70 |
|
P |
2 |
1 |
3823 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4721 |
7.2 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| Average: |
26.2 |
0.1 |
0.735 |
0 |
0 |
0 |
0.000 |
| 17 |
71 |
|
V |
6 |
1 |
3932 |
◊ |
Q |
x-1,y+1,z |
1_465 |
3 |
1 |
4604 |
41.8 |
0.9 |
0.882 |
0 |
5 |
0 |
0.000 |
72 |
|
G |
3 |
1 |
4591 |
◊ |
F |
x,y-1,z |
1_545 |
4 |
1 |
3760 |
36.1 |
1.4 |
0.917 |
1 |
3 |
0 |
0.000 |
| Average: |
39.0 |
1.1 |
0.899 |
1 |
4 |
0 |
0.000 |
| 18 |
73 |
|
K |
5 |
3 |
4539 |
◊ |
S |
x,y-1,z |
1_545 |
4 |
1 |
4701 |
35.4 |
-0.4 |
0.644 |
0 |
0 |
0 |
0.000 |
| 19 |
74 |
|
B |
6 |
2 |
4025 |
◊ |
L |
x-1,y+1,z |
1_465 |
4 |
1 |
4192 |
33.2 |
0.9 |
0.872 |
1 |
0 |
0 |
0.000 |
75 |
|
P |
4 |
1 |
3823 |
◊ |
X |
x,y-1,z |
1_545 |
3 |
2 |
3906 |
29.6 |
0.7 |
0.650 |
0 |
0 |
0 |
0.000 |
| Average: |
31.4 |
0.8 |
0.761 |
1 |
0 |
0 |
0.000 |
| 20 |
76 |
|
W |
6 |
5 |
4732 |
◊ |
Q |
x,y,z |
1_555 |
4 |
4 |
4604 |
32.9 |
-0.4 |
0.641 |
0 |
0 |
0 |
0.000 |
| 21 |
77 |
|
G |
3 |
3 |
4591 |
◊ |
U |
x,y,z-1 |
1_554 |
2 |
1 |
4736 |
27.2 |
0.2 |
0.801 |
0 |
0 |
0 |
0.000 |
78 |
|
W |
1 |
1 |
4732 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
4539 |
0.8 |
-0.0 |
0.690 |
0 |
0 |
0 |
0.000 |
| Average: |
14.0 |
0.1 |
0.746 |
0 |
0 |
0 |
0.000 |
| 22 |
79 |
|
D |
5 |
1 |
3780 |
◊ |
O |
x,y,z |
1_555 |
4 |
1 |
4703 |
26.0 |
-0.5 |
0.620 |
0 |
0 |
0 |
0.000 |
80 |
|
J |
5 |
1 |
3715 |
◊ |
U |
x,y,z-1 |
1_554 |
4 |
1 |
4736 |
21.8 |
0.4 |
0.741 |
0 |
0 |
0 |
0.000 |
81 |
|
E |
1 |
1 |
4546 |
◊ |
N |
x,y,z-1 |
1_554 |
1 |
1 |
3763 |
2.7 |
-0.1 |
0.513 |
0 |
0 |
0 |
0.000 |
| Average: |
16.8 |
-0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
| 23 |
82 |
|
H |
3 |
1 |
3737 |
◊ |
S |
x,y-1,z |
1_545 |
3 |
1 |
4701 |
24.0 |
0.6 |
0.849 |
0 |
0 |
0 |
0.000 |
| 24 |
83 |
|
S |
2 |
1 |
4701 |
◊ |
O |
x-1,y+1,z |
1_465 |
2 |
2 |
4703 |
15.6 |
0.3 |
0.824 |
0 |
0 |
0 |
0.000 |
| 25 |
84 |
|
P |
2 |
1 |
3823 |
◊ |
W |
x,y-1,z |
1_545 |
1 |
1 |
4732 |
5.4 |
0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
85 |
|
A |
2 |
1 |
4721 |
◊ |
L |
x-1,y+1,z |
1_465 |
1 |
1 |
4192 |
3.5 |
0.2 |
0.810 |
0 |
0 |
0 |
0.000 |
| Average: |
4.4 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
| 26 |
86 |
|
T |
1 |
1 |
3851 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
3763 |
0.2 |
0.0 |
0.750 |
0 |
0 |
0 |
0.000 |
|