## |
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 |
|
L |
142 |
37 |
12195 |
◊ |
G |
x,y,z |
1_555 |
128 |
33 |
12221 |
1226.8 |
-17.4 |
0.021 |
10 |
4 |
0 |
0.918 |
2 |
|
H |
127 |
32 |
12143 |
◊ |
G |
x,y,z |
1_555 |
138 |
37 |
12221 |
1222.8 |
-16.3 |
0.037 |
13 |
4 |
0 |
0.918 |
3 |
|
B |
128 |
32 |
12275 |
◊ |
A |
x,y,z |
1_555 |
146 |
37 |
12215 |
1222.1 |
-17.1 |
0.027 |
9 |
4 |
0 |
0.918 |
4 |
|
J |
125 |
31 |
12102 |
◊ |
I |
x,y,z |
1_555 |
145 |
38 |
12204 |
1222.0 |
-16.5 |
0.041 |
9 |
3 |
0 |
0.918 |
5 |
|
C |
128 |
32 |
12383 |
◊ |
B |
x,y,z |
1_555 |
140 |
37 |
12275 |
1216.6 |
-16.5 |
0.033 |
14 |
4 |
0 |
0.918 |
6 |
|
I |
128 |
32 |
12204 |
◊ |
H |
x,y,z |
1_555 |
139 |
37 |
12143 |
1210.1 |
-15.6 |
0.042 |
11 |
4 |
0 |
0.918 |
7 |
|
D |
127 |
33 |
12121 |
◊ |
C |
x,y,z |
1_555 |
147 |
38 |
12383 |
1202.5 |
-16.0 |
0.044 |
11 |
5 |
0 |
0.918 |
8 |
|
E |
124 |
33 |
12158 |
◊ |
D |
x,y,z |
1_555 |
146 |
37 |
12121 |
1193.6 |
-16.2 |
0.053 |
9 |
3 |
0 |
0.918 |
9 |
|
L |
127 |
31 |
12195 |
◊ |
K |
x,y,z |
1_555 |
145 |
37 |
12305 |
1189.4 |
-16.8 |
0.030 |
8 |
3 |
0 |
0.918 |
10 |
|
F |
141 |
38 |
12175 |
◊ |
A |
x,y,z |
1_555 |
125 |
31 |
12215 |
1178.2 |
-16.1 |
0.037 |
10 |
4 |
0 |
0.918 |
11 |
|
F |
124 |
32 |
12175 |
◊ |
E |
x,y,z |
1_555 |
141 |
37 |
12158 |
1174.5 |
-15.1 |
0.057 |
10 |
4 |
0 |
0.918 |
12 |
|
K |
123 |
29 |
12305 |
◊ |
J |
x,y,z |
1_555 |
141 |
36 |
12102 |
1163.9 |
-16.2 |
0.033 |
13 |
4 |
0 |
0.918 |
Average: |
1201.9 |
-16.3 |
0.038 |
11 |
4 |
0 |
0.918 |
2 |
13 |
|
K |
52 |
18 |
12305 |
◊ |
F |
x,y,z |
1_555 |
52 |
18 |
12175 |
486.2 |
-0.4 |
0.662 |
10 |
2 |
0 |
0.089 |
14 |
|
G |
52 |
18 |
12221 |
◊ |
D |
x,y,z |
1_555 |
52 |
18 |
12121 |
469.3 |
-1.4 |
0.597 |
8 |
2 |
0 |
0.089 |
15 |
|
L |
49 |
18 |
12195 |
◊ |
E |
x,y,z |
1_555 |
49 |
17 |
12158 |
452.7 |
-0.6 |
0.637 |
8 |
2 |
0 |
0.089 |
16 |
|
J |
50 |
18 |
12102 |
◊ |
A |
x,y,z |
1_555 |
48 |
17 |
12215 |
436.5 |
-0.6 |
0.647 |
8 |
2 |
0 |
0.089 |
17 |
|
I |
47 |
17 |
12204 |
◊ |
B |
x,y,z |
1_555 |
51 |
17 |
12275 |
435.0 |
-1.3 |
0.584 |
7 |
2 |
0 |
0.089 |
18 |
|
H |
47 |
17 |
12143 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
12383 |
432.7 |
-0.9 |
0.634 |
6 |
2 |
0 |
0.089 |
Average: |
452.1 |
-0.9 |
0.627 |
8 |
2 |
0 |
0.089 |
3 |
19 |
|
D |
38 |
13 |
12121 |
◊ |
K |
x-1,y,z |
1_455 |
37 |
12 |
12305 |
300.1 |
-2.4 |
0.458 |
5 |
0 |
0 |
0.000 |
20 |
|
I |
33 |
11 |
12204 |
◊ |
F |
x,y-1,z |
1_545 |
34 |
11 |
12175 |
261.9 |
-2.8 |
0.382 |
4 |
0 |
0 |
0.000 |
Average: |
281.0 |
-2.6 |
0.420 |
5 |
0 |
0 |
0.000 |
4 |
21 |
|
L |
32 |
11 |
12195 |
◊ |
B |
x,y,z-1 |
1_554 |
38 |
12 |
12275 |
293.3 |
2.9 |
0.856 |
5 |
0 |
0 |
0.000 |
22 |
|
G |
38 |
11 |
12221 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
30 |
11 |
12215 |
282.7 |
2.2 |
0.836 |
5 |
0 |
0 |
0.000 |
Average: |
288.0 |
2.6 |
0.846 |
5 |
0 |
0 |
0.000 |
5 |
23 |
|
D |
20 |
9 |
12121 |
◊ |
A |
x-1,y-1,z-1 |
1_444 |
13 |
4 |
12215 |
176.8 |
3.2 |
0.888 |
4 |
4 |
0 |
0.000 |
24 |
|
L |
13 |
4 |
12195 |
◊ |
I |
x,y,z-1 |
1_554 |
20 |
9 |
12204 |
167.6 |
2.9 |
0.866 |
5 |
5 |
0 |
0.000 |
Average: |
172.2 |
3.1 |
0.877 |
5 |
5 |
0 |
0.000 |
6 |
25 |
|
E |
21 |
9 |
12158 |
◊ |
B |
x,y,z-1 |
1_554 |
16 |
7 |
12275 |
172.0 |
2.5 |
0.850 |
2 |
2 |
0 |
0.000 |
26 |
|
G |
18 |
8 |
12221 |
◊ |
J |
x-1,y-1,z-1 |
1_444 |
22 |
9 |
12102 |
167.0 |
2.7 |
0.894 |
0 |
2 |
0 |
0.000 |
Average: |
169.5 |
2.6 |
0.872 |
1 |
2 |
0 |
0.000 |
7 |
27 |
|
C |
13 |
7 |
12383 |
◊ |
J |
x-1,y,z |
1_455 |
11 |
7 |
12102 |
96.4 |
0.4 |
0.702 |
0 |
0 |
0 |
0.000 |
28 |
|
H |
12 |
7 |
12143 |
◊ |
E |
x,y-1,z |
1_545 |
10 |
5 |
12158 |
91.7 |
0.3 |
0.701 |
0 |
0 |
0 |
0.000 |
Average: |
94.1 |
0.3 |
0.702 |
0 |
0 |
0 |
0.000 |
8 |
29 |
|
[NO3]K:401 |
4 |
1 |
159 |
f |
K |
x,y,z |
1_555 |
16 |
8 |
12305 |
88.3 |
0.9 |
0.539 |
5 |
0 |
0 |
0.058 |
9 |
30 |
|
[NO3]F:1002 |
4 |
1 |
159 |
f |
F |
x,y,z |
1_555 |
15 |
7 |
12175 |
87.5 |
1.0 |
0.543 |
5 |
0 |
0 |
0.098 |
31 |
|
[NO3]E:402 |
4 |
1 |
160 |
f |
E |
x,y,z |
1_555 |
14 |
7 |
12158 |
87.5 |
1.0 |
0.543 |
5 |
0 |
0 |
0.098 |
32 |
|
[NO3]L:401 |
4 |
1 |
159 |
f |
L |
x,y,z |
1_555 |
15 |
7 |
12195 |
87.4 |
1.0 |
0.543 |
5 |
0 |
0 |
0.098 |
33 |
|
[NO3]J:401 |
4 |
1 |
159 |
f |
J |
x,y,z |
1_555 |
14 |
7 |
12102 |
87.0 |
1.0 |
0.548 |
5 |
0 |
0 |
0.098 |
34 |
|
[NO3]A:402 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
12215 |
86.3 |
1.0 |
0.552 |
5 |
0 |
0 |
0.098 |
35 |
|
[NO3]I:402 |
4 |
1 |
158 |
f |
I |
x,y,z |
1_555 |
15 |
8 |
12204 |
85.7 |
1.0 |
0.564 |
6 |
0 |
0 |
0.098 |
36 |
|
[NO3]G:402 |
4 |
1 |
159 |
f |
G |
x,y,z |
1_555 |
16 |
7 |
12221 |
85.3 |
1.0 |
0.557 |
5 |
0 |
0 |
0.098 |
Average: |
86.7 |
1.0 |
0.550 |
5 |
0 |
0 |
0.098 |
10 |
37 |
|
[NO3]J:402 |
4 |
1 |
158 |
f |
J |
x,y,z |
1_555 |
14 |
7 |
12102 |
85.9 |
1.1 |
0.566 |
7 |
0 |
0 |
0.086 |
38 |
|
[NO3]D:403 |
4 |
1 |
159 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
12121 |
83.8 |
1.2 |
0.569 |
7 |
0 |
0 |
0.086 |
Average: |
84.9 |
1.1 |
0.567 |
7 |
0 |
0 |
0.086 |
11 |
39 |
|
[NO3]C:402 |
4 |
1 |
158 |
f |
C |
x,y,z |
1_555 |
15 |
7 |
12383 |
85.7 |
1.1 |
0.562 |
5 |
0 |
0 |
0.079 |
40 |
|
[NO3]B:401 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
12275 |
84.5 |
1.0 |
0.559 |
6 |
0 |
0 |
0.079 |
Average: |
85.1 |
1.0 |
0.561 |
6 |
0 |
0 |
0.079 |
12 |
41 |
|
[NO3]E:403 |
4 |
1 |
159 |
f |
E |
x,y,z |
1_555 |
13 |
7 |
12158 |
85.7 |
1.1 |
0.557 |
5 |
0 |
0 |
0.068 |
42 |
|
[NO3]K:402 |
4 |
1 |
159 |
f |
K |
x,y,z |
1_555 |
16 |
7 |
12305 |
85.5 |
1.1 |
0.566 |
6 |
0 |
0 |
0.068 |
43 |
|
[NO3]H:402 |
4 |
1 |
160 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
12143 |
85.0 |
1.1 |
0.570 |
4 |
0 |
0 |
0.068 |
44 |
|
[NO3]B:402 |
4 |
1 |
159 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
12275 |
83.7 |
1.1 |
0.560 |
6 |
0 |
0 |
0.068 |
Average: |
85.0 |
1.1 |
0.563 |
5 |
0 |
0 |
0.068 |
13 |
45 |
|
[NO3]D:402 |
4 |
1 |
160 |
f |
D |
x,y,z |
1_555 |
14 |
7 |
12121 |
85.4 |
1.1 |
0.566 |
5 |
0 |
0 |
0.051 |
14 |
46 |
|
[NO3]F:1003 |
4 |
1 |
159 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
12175 |
85.1 |
1.1 |
0.576 |
6 |
0 |
0 |
0.078 |
15 |
47 |
|
[NO3]I:403 |
4 |
1 |
159 |
f |
I |
x,y,z |
1_555 |
14 |
7 |
12204 |
84.9 |
1.2 |
0.570 |
7 |
0 |
0 |
0.082 |
48 |
|
[NO3]G:403 |
4 |
1 |
159 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
12221 |
84.4 |
1.1 |
0.546 |
4 |
0 |
0 |
0.082 |
49 |
|
[NO3]L:402 |
4 |
1 |
157 |
f |
L |
x,y,z |
1_555 |
13 |
6 |
12195 |
84.2 |
1.2 |
0.562 |
7 |
0 |
0 |
0.082 |
50 |
|
[NO3]A:403 |
4 |
1 |
159 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
12215 |
83.8 |
1.2 |
0.563 |
5 |
0 |
0 |
0.082 |
Average: |
84.3 |
1.1 |
0.560 |
6 |
0 |
0 |
0.082 |
16 |
51 |
|
[NO3]C:403 |
4 |
1 |
158 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
12383 |
84.8 |
1.1 |
0.560 |
5 |
0 |
0 |
0.078 |
17 |
52 |
|
[NO3]H:401 |
4 |
1 |
158 |
f |
H |
x,y,z |
1_555 |
14 |
7 |
12143 |
84.0 |
1.1 |
0.574 |
5 |
0 |
0 |
0.098 |
18 |
53 |
|
[NO3]F:1001 |
4 |
1 |
158 |
f |
K |
x,y,z |
1_555 |
7 |
5 |
12305 |
65.3 |
0.6 |
0.401 |
2 |
0 |
0 |
0.011 |
19 |
54 |
|
[NO3]C:401 |
4 |
1 |
160 |
f |
H |
x,y,z |
1_555 |
8 |
5 |
12143 |
65.1 |
0.2 |
0.323 |
1 |
0 |
0 |
0.019 |
20 |
55 |
|
[NO3]C:401 |
4 |
1 |
160 |
◊ |
C |
x,y,z |
1_555 |
8 |
5 |
12383 |
64.6 |
0.3 |
0.324 |
1 |
0 |
0 |
0.000 |
21 |
56 |
|
[NO3]E:401 |
4 |
1 |
159 |
◊ |
L |
x,y,z |
1_555 |
7 |
5 |
12195 |
64.0 |
0.3 |
0.301 |
1 |
0 |
0 |
0.000 |
22 |
57 |
|
[NO3]A:401 |
4 |
1 |
158 |
◊ |
A |
x,y,z |
1_555 |
6 |
5 |
12215 |
63.4 |
0.3 |
0.283 |
1 |
0 |
0 |
0.000 |
23 |
58 |
|
[NO3]I:401 |
4 |
1 |
159 |
f |
I |
x,y,z |
1_555 |
7 |
5 |
12204 |
63.3 |
0.3 |
0.305 |
2 |
0 |
0 |
0.021 |
59 |
|
[NO3]A:401 |
4 |
1 |
158 |
f |
J |
x,y,z |
1_555 |
8 |
5 |
12102 |
62.3 |
0.3 |
0.327 |
2 |
0 |
0 |
0.021 |
Average: |
62.8 |
0.3 |
0.316 |
2 |
0 |
0 |
0.021 |
24 |
60 |
|
[NO3]E:401 |
4 |
1 |
159 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
12158 |
62.7 |
0.3 |
0.323 |
2 |
0 |
0 |
0.030 |
25 |
61 |
|
[NO3]I:401 |
4 |
1 |
159 |
◊ |
B |
x,y,z |
1_555 |
7 |
5 |
12275 |
62.7 |
0.3 |
0.301 |
2 |
0 |
0 |
0.002 |
26 |
62 |
|
[NO3]D:401 |
4 |
1 |
159 |
f |
G |
x,y,z |
1_555 |
7 |
5 |
12221 |
62.4 |
0.3 |
0.304 |
1 |
0 |
0 |
0.014 |
27 |
63 |
|
[NO3]D:401 |
4 |
1 |
159 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
12121 |
62.2 |
0.3 |
0.330 |
1 |
0 |
0 |
0.000 |
28 |
64 |
|
[NO3]F:1001 |
4 |
1 |
158 |
◊ |
F |
x,y,z |
1_555 |
7 |
5 |
12175 |
61.8 |
0.2 |
0.304 |
1 |
0 |
0 |
0.000 |
29 |
65 |
|
[NO3]B:402 |
4 |
1 |
159 |
f |
[NO3]B:401 |
x,y,z |
1_555 |
4 |
1 |
159 |
37.1 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
30 |
66 |
|
[NO3]G:403 |
4 |
1 |
159 |
f |
[NO3]G:402 |
x,y,z |
1_555 |
4 |
1 |
159 |
37.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
31 |
67 |
|
[NO3]H:402 |
4 |
1 |
160 |
f |
[NO3]H:401 |
x,y,z |
1_555 |
4 |
1 |
158 |
36.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
32 |
68 |
|
[NO3]F:1003 |
4 |
1 |
159 |
f |
[NO3]F:1002 |
x,y,z |
1_555 |
4 |
1 |
159 |
36.7 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
33 |
69 |
|
[NO3]D:403 |
4 |
1 |
159 |
f |
[NO3]D:402 |
x,y,z |
1_555 |
4 |
1 |
160 |
36.4 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
34 |
70 |
|
[NO3]K:402 |
4 |
1 |
159 |
f |
[NO3]K:401 |
x,y,z |
1_555 |
4 |
1 |
159 |
36.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
71 |
|
[NO3]C:403 |
4 |
1 |
158 |
f |
[NO3]C:402 |
x,y,z |
1_555 |
4 |
1 |
158 |
36.3 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
36 |
72 |
|
[NO3]A:403 |
4 |
1 |
159 |
f |
[NO3]A:402 |
x,y,z |
1_555 |
4 |
1 |
159 |
36.2 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
73 |
|
[NO3]E:403 |
4 |
1 |
159 |
f |
[NO3]E:402 |
x,y,z |
1_555 |
4 |
1 |
160 |
35.7 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
38 |
74 |
|
[NO3]J:402 |
4 |
1 |
158 |
f |
[NO3]J:401 |
x,y,z |
1_555 |
4 |
1 |
159 |
35.4 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
39 |
75 |
|
[NO3]I:403 |
4 |
1 |
159 |
f |
[NO3]I:402 |
x,y,z |
1_555 |
4 |
1 |
158 |
35.0 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[NO3]L:402 |
4 |
1 |
157 |
f |
[NO3]L:401 |
x,y,z |
1_555 |
4 |
1 |
159 |
34.8 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
Average: |
34.9 |
0.8 |
1.000 |
0 |
0 |
0 |
0.000 |
40 |
77 |
|
E |
2 |
1 |
12158 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
1 |
12305 |
12.5 |
-0.0 |
0.560 |
0 |
0 |
0 |
0.000 |
78 |
|
D |
1 |
1 |
12121 |
◊ |
L |
x-1,y,z |
1_455 |
2 |
1 |
12195 |
6.5 |
-0.1 |
0.419 |
0 |
0 |
0 |
0.000 |
79 |
|
J |
1 |
1 |
12102 |
◊ |
F |
x,y-1,z |
1_545 |
1 |
1 |
12175 |
4.9 |
-0.0 |
0.506 |
0 |
0 |
0 |
0.000 |
80 |
|
I |
1 |
1 |
12204 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
12215 |
3.6 |
-0.1 |
0.470 |
0 |
0 |
0 |
0.000 |
Average: |
6.9 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
|