## |
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 |
|
H |
99 |
23 |
14546 |
◊ |
A |
x,y,z |
1_555 |
122 |
39 |
14865 |
1051.1 |
-5.7 |
0.200 |
9 |
5 |
0 |
0.000 |
2 |
|
F |
122 |
41 |
14513 |
◊ |
E |
x,y,z |
1_555 |
89 |
22 |
14727 |
1019.1 |
-6.4 |
0.144 |
7 |
6 |
0 |
0.000 |
3 |
|
G |
103 |
22 |
14670 |
◊ |
C |
x,y,z |
1_555 |
117 |
35 |
14663 |
993.2 |
-6.6 |
0.164 |
7 |
5 |
0 |
0.000 |
4 |
|
D |
88 |
20 |
14767 |
◊ |
B |
x,y,z |
1_555 |
110 |
34 |
14950 |
937.4 |
-5.5 |
0.130 |
7 |
7 |
0 |
0.000 |
Average: |
1000.2 |
-6.1 |
0.159 |
8 |
6 |
0 |
0.000 |
2 |
5 |
|
D |
112 |
35 |
14767 |
◊ |
A |
x,y,z |
1_555 |
101 |
25 |
14865 |
997.5 |
-4.8 |
0.154 |
4 |
8 |
0 |
0.000 |
6 |
|
E |
112 |
34 |
14727 |
◊ |
C |
x,y,z |
1_555 |
100 |
24 |
14663 |
995.1 |
-2.8 |
0.212 |
8 |
7 |
0 |
0.000 |
7 |
|
H |
118 |
37 |
14546 |
◊ |
B |
x,y,z |
1_555 |
100 |
22 |
14950 |
993.6 |
-8.3 |
0.078 |
3 |
5 |
0 |
0.000 |
8 |
|
G |
113 |
34 |
14670 |
◊ |
F |
x,y,z |
1_555 |
95 |
22 |
14513 |
973.3 |
-4.8 |
0.245 |
5 |
6 |
0 |
0.000 |
Average: |
989.9 |
-5.1 |
0.172 |
5 |
7 |
0 |
0.000 |
3 |
9 |
|
E |
53 |
19 |
14727 |
◊ |
B |
x,y,z |
1_555 |
61 |
19 |
14950 |
544.1 |
-2.5 |
0.381 |
6 |
4 |
0 |
0.000 |
10 |
|
F |
56 |
18 |
14513 |
◊ |
D |
x,y,z |
1_555 |
51 |
19 |
14767 |
542.8 |
-2.4 |
0.400 |
5 |
4 |
0 |
0.000 |
11 |
|
H |
52 |
19 |
14546 |
◊ |
C |
x,y,z |
1_555 |
55 |
18 |
14663 |
541.2 |
-2.3 |
0.364 |
5 |
4 |
0 |
0.000 |
12 |
|
G |
53 |
19 |
14670 |
◊ |
A |
x,y,z |
1_555 |
55 |
18 |
14865 |
539.6 |
-2.2 |
0.395 |
5 |
4 |
0 |
0.000 |
Average: |
541.9 |
-2.4 |
0.385 |
5 |
4 |
0 |
0.000 |
4 |
13 |
|
A |
44 |
12 |
14865 |
◊ |
B |
-x+1/2,y-1/2,-z+5/4 |
5_546 |
38 |
11 |
14950 |
392.2 |
-4.6 |
0.136 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
15 |
4 |
14546 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
11 |
6 |
14513 |
113.8 |
-0.8 |
0.411 |
1 |
0 |
0 |
0.000 |
Average: |
253.0 |
-2.7 |
0.274 |
1 |
0 |
0 |
0.000 |
5 |
15 |
|
D |
28 |
9 |
14767 |
◊ |
C |
-y+3/2,x+1/2,z+1/4 |
3_655 |
38 |
12 |
14663 |
327.3 |
-3.0 |
0.238 |
1 |
0 |
0 |
0.000 |
16 |
|
G |
30 |
8 |
14670 |
◊ |
E |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
34 |
10 |
14727 |
303.1 |
-2.5 |
0.293 |
3 |
0 |
0 |
0.000 |
Average: |
315.2 |
-2.8 |
0.266 |
2 |
0 |
0 |
0.000 |
6 |
17 |
|
F |
25 |
9 |
14513 |
◊ |
D |
y,x,-z+1 |
7_556 |
20 |
7 |
14767 |
202.2 |
-1.3 |
0.390 |
2 |
0 |
0 |
0.000 |
18 |
|
A |
25 |
9 |
14865 |
◊ |
E |
y-1,x,-z+1 |
7_456 |
19 |
8 |
14727 |
200.1 |
-0.9 |
0.418 |
2 |
0 |
0 |
0.000 |
19 |
|
G |
21 |
7 |
14670 |
◊ |
B |
y-1,x,-z+1 |
7_456 |
23 |
9 |
14950 |
193.4 |
-1.1 |
0.425 |
2 |
0 |
0 |
0.000 |
Average: |
198.6 |
-1.1 |
0.411 |
2 |
0 |
0 |
0.000 |
7 |
20 |
|
A |
20 |
6 |
14865 |
◊ |
H |
-x+1/2,y-1/2,-z+5/4 |
5_546 |
24 |
6 |
14546 |
195.1 |
-2.4 |
0.226 |
2 |
0 |
0 |
0.000 |
21 |
|
B |
13 |
6 |
14950 |
◊ |
C |
-y+3/2,x+1/2,z+1/4 |
3_655 |
7 |
3 |
14663 |
77.3 |
-0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
Average: |
136.2 |
-1.4 |
0.344 |
1 |
0 |
0 |
0.000 |
8 |
22 |
|
D |
23 |
6 |
14767 |
◊ |
B |
-x+1/2,y-1/2,-z+5/4 |
5_546 |
16 |
5 |
14950 |
179.4 |
-2.0 |
0.283 |
0 |
0 |
0 |
0.000 |
9 |
23 |
|
H |
21 |
8 |
14546 |
◊ |
C |
y-1,x+1,-z+1 |
7_466 |
22 |
8 |
14663 |
179.3 |
-0.4 |
0.506 |
2 |
0 |
0 |
0.000 |
10 |
24 |
|
D |
16 |
4 |
14767 |
◊ |
E |
-y+3/2,x+1/2,z+1/4 |
3_655 |
24 |
5 |
14727 |
157.8 |
-2.3 |
0.259 |
0 |
0 |
0 |
0.000 |
25 |
|
C |
13 |
4 |
14663 |
◊ |
E |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
8 |
1 |
14727 |
80.1 |
-0.0 |
0.506 |
0 |
0 |
0 |
0.000 |
26 |
|
H |
2 |
1 |
14546 |
◊ |
G |
-y+1/2,x+1/2,z+1/4 |
3_555 |
2 |
1 |
14670 |
9.2 |
-0.3 |
0.347 |
0 |
0 |
0 |
0.000 |
Average: |
82.4 |
-0.9 |
0.371 |
0 |
0 |
0 |
0.000 |
11 |
27 |
|
[NAG]C:403 |
11 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
21 |
8 |
14663 |
123.4 |
3.9 |
0.400 |
2 |
0 |
0 |
0.000 |
12 |
28 |
|
[GOL]B:404 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
18 |
4 |
14950 |
119.7 |
-0.9 |
0.399 |
1 |
0 |
0 |
0.000 |
29 |
|
[GOL]A:405 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
5 |
14865 |
116.9 |
-1.0 |
0.406 |
2 |
0 |
0 |
0.000 |
Average: |
118.3 |
-0.9 |
0.403 |
2 |
0 |
0 |
0.000 |
13 |
30 |
|
[NAG]H:401 |
8 |
1 |
361 |
cf |
H |
x,y,z |
1_555 |
14 |
5 |
14546 |
113.8 |
3.4 |
0.529 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]G:401 |
8 |
1 |
360 |
cf |
G |
x,y,z |
1_555 |
14 |
5 |
14670 |
113.5 |
3.5 |
0.510 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]E:401 |
8 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
14 |
5 |
14727 |
113.3 |
3.5 |
0.526 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:401 |
8 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
14 |
5 |
14767 |
113.1 |
3.5 |
0.515 |
0 |
0 |
0 |
0.000 |
Average: |
113.4 |
3.5 |
0.520 |
0 |
0 |
0 |
0.000 |
14 |
34 |
|
[NAG]C:401 |
7 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
14 |
5 |
14663 |
113.0 |
3.4 |
0.560 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]A:401 |
7 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
14 |
5 |
14865 |
112.9 |
3.4 |
0.562 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]F:401 |
7 |
1 |
362 |
cf |
F |
x,y,z |
1_555 |
13 |
5 |
14513 |
112.9 |
3.4 |
0.567 |
0 |
0 |
0 |
0.000 |
37 |
|
[NAG]B:401 |
8 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
12 |
5 |
14950 |
110.6 |
3.2 |
0.493 |
0 |
0 |
0 |
0.000 |
Average: |
112.3 |
3.3 |
0.545 |
0 |
0 |
0 |
0.000 |
15 |
38 |
|
[GOL]A:404 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
14865 |
111.3 |
0.1 |
0.579 |
5 |
0 |
0 |
0.000 |
16 |
39 |
|
[GOL]F:404 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
19 |
8 |
14513 |
111.3 |
-0.5 |
0.533 |
4 |
0 |
0 |
0.000 |
17 |
40 |
|
[GOL]H:404 |
6 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
22 |
8 |
14546 |
110.0 |
-0.2 |
0.521 |
2 |
0 |
0 |
0.000 |
41 |
|
[GOL]D:404 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
22 |
8 |
14767 |
109.0 |
-0.6 |
0.474 |
2 |
0 |
0 |
0.000 |
Average: |
109.5 |
-0.4 |
0.497 |
2 |
0 |
0 |
0.000 |
18 |
42 |
|
[NAG]C:402 |
9 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
11 |
6 |
14663 |
104.8 |
3.2 |
0.442 |
0 |
0 |
0 |
0.000 |
43 |
|
[NAG]E:402 |
8 |
1 |
360 |
cf |
E |
x,y,z |
1_555 |
10 |
5 |
14727 |
102.1 |
2.9 |
0.481 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]A:402 |
8 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
11 |
6 |
14865 |
97.8 |
2.5 |
0.405 |
0 |
0 |
0 |
0.000 |
Average: |
101.6 |
2.9 |
0.443 |
0 |
0 |
0 |
0.000 |
19 |
45 |
|
[NAG]B:402 |
9 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
9 |
4 |
14950 |
104.4 |
2.7 |
0.372 |
0 |
0 |
0 |
0.000 |
20 |
46 |
|
[NAG]D:402 |
8 |
1 |
364 |
cf |
D |
x,y,z |
1_555 |
11 |
6 |
14767 |
101.5 |
2.7 |
0.467 |
0 |
0 |
0 |
0.000 |
47 |
|
[NAG]G:402 |
9 |
1 |
364 |
cf |
G |
x,y,z |
1_555 |
10 |
5 |
14670 |
100.2 |
3.0 |
0.429 |
0 |
0 |
0 |
0.000 |
48 |
|
[NAG]F:402 |
10 |
1 |
364 |
cf |
F |
x,y,z |
1_555 |
10 |
5 |
14513 |
99.7 |
2.6 |
0.334 |
0 |
0 |
0 |
0.000 |
Average: |
100.5 |
2.8 |
0.410 |
0 |
0 |
0 |
0.000 |
21 |
49 |
|
[NAG]B:403 |
11 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
17 |
6 |
14950 |
101.0 |
2.6 |
0.285 |
0 |
0 |
0 |
0.000 |
22 |
50 |
|
[GOL]A:406 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
14865 |
95.9 |
0.5 |
0.625 |
2 |
0 |
0 |
0.000 |
23 |
51 |
|
[NAG]H:402 |
8 |
1 |
354 |
cf |
H |
x,y,z |
1_555 |
8 |
3 |
14546 |
87.2 |
2.6 |
0.465 |
0 |
0 |
0 |
0.000 |
24 |
52 |
|
[GOL]A:406 |
5 |
1 |
220 |
f |
H |
x,y,z |
1_555 |
12 |
5 |
14546 |
85.0 |
-0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
25 |
53 |
|
[NAG]H:403 |
10 |
1 |
363 |
cf |
H |
x,y,z |
1_555 |
15 |
6 |
14546 |
82.7 |
2.0 |
0.277 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]A:403 |
10 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
14865 |
78.3 |
2.0 |
0.286 |
0 |
0 |
0 |
0.000 |
Average: |
80.5 |
2.0 |
0.281 |
0 |
0 |
0 |
0.000 |
26 |
55 |
|
[NAG]E:403 |
11 |
1 |
361 |
cf |
E |
x,y,z |
1_555 |
13 |
5 |
14727 |
81.2 |
2.0 |
0.222 |
0 |
0 |
0 |
0.000 |
27 |
56 |
|
[NAG]F:403 |
9 |
1 |
350 |
cf |
F |
x,y,z |
1_555 |
12 |
5 |
14513 |
80.7 |
2.4 |
0.284 |
1 |
0 |
0 |
0.000 |
28 |
57 |
|
[NAG]G:403 |
10 |
1 |
357 |
cf |
G |
x,y,z |
1_555 |
17 |
7 |
14670 |
79.7 |
2.3 |
0.288 |
0 |
0 |
0 |
0.000 |
29 |
58 |
|
[NAG]D:403 |
8 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
14 |
5 |
14767 |
75.1 |
2.1 |
0.382 |
0 |
0 |
0 |
0.000 |
30 |
59 |
|
[GOL]A:405 |
6 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
7 |
5 |
14767 |
73.6 |
1.2 |
0.711 |
1 |
0 |
0 |
0.000 |
60 |
|
[GOL]B:404 |
5 |
1 |
222 |
◊ |
H |
x,y,z |
1_555 |
7 |
5 |
14546 |
66.7 |
1.1 |
0.672 |
2 |
0 |
0 |
0.000 |
Average: |
70.1 |
1.1 |
0.691 |
2 |
0 |
0 |
0.000 |
31 |
61 |
|
[NAG]D:402 |
4 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
14865 |
56.8 |
1.6 |
0.542 |
1 |
0 |
0 |
0.000 |
62 |
|
[NAG]E:402 |
4 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
14663 |
55.7 |
1.5 |
0.533 |
1 |
0 |
0 |
0.000 |
63 |
|
[NAG]G:402 |
4 |
1 |
364 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
14513 |
51.6 |
1.6 |
0.530 |
1 |
0 |
0 |
0.000 |
Average: |
54.7 |
1.6 |
0.535 |
1 |
0 |
0 |
0.000 |
32 |
64 |
|
[NAG]H:402 |
4 |
1 |
354 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
14950 |
53.1 |
1.3 |
0.518 |
0 |
0 |
0 |
0.000 |
33 |
65 |
|
[GOL]A:404 |
4 |
1 |
220 |
f |
[NAG]A:403 |
x,y,z |
1_555 |
5 |
1 |
363 |
49.7 |
0.5 |
0.334 |
0 |
0 |
0 |
0.000 |
34 |
66 |
|
[GOL]D:404 |
4 |
1 |
221 |
f |
[NAG]D:403 |
x,y,z |
1_555 |
5 |
1 |
360 |
46.8 |
1.0 |
0.364 |
0 |
0 |
0 |
0.000 |
35 |
67 |
|
[GOL]H:404 |
3 |
1 |
220 |
f |
[NAG]H:403 |
x,y,z |
1_555 |
5 |
1 |
363 |
46.7 |
0.8 |
0.306 |
2 |
0 |
0 |
0.000 |
36 |
68 |
|
[GOL]F:404 |
4 |
1 |
219 |
f |
[NAG]F:403 |
x,y,z |
1_555 |
5 |
1 |
350 |
45.9 |
0.7 |
0.262 |
0 |
0 |
0 |
0.000 |
37 |
69 |
|
[NAG]B:401 |
6 |
1 |
355 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
14727 |
30.4 |
0.5 |
0.247 |
0 |
0 |
0 |
0.000 |
70 |
|
[NAG]C:401 |
5 |
1 |
362 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
14546 |
27.1 |
0.7 |
0.322 |
0 |
0 |
0 |
0.000 |
71 |
|
[NAG]A:401 |
5 |
1 |
361 |
◊ |
G |
x,y,z |
1_555 |
3 |
3 |
14670 |
25.9 |
0.6 |
0.304 |
0 |
0 |
0 |
0.000 |
72 |
|
[NAG]F:401 |
5 |
1 |
362 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
14767 |
23.4 |
0.6 |
0.309 |
0 |
0 |
0 |
0.000 |
Average: |
26.7 |
0.6 |
0.296 |
0 |
0 |
0 |
0.000 |
38 |
73 |
|
[NAG]A:402 |
2 |
1 |
356 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
14546 |
29.1 |
1.1 |
0.615 |
1 |
0 |
0 |
0.000 |
39 |
74 |
|
B |
5 |
1 |
14950 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
14865 |
27.3 |
-0.3 |
0.445 |
0 |
0 |
0 |
0.000 |
75 |
|
F |
1 |
1 |
14513 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14663 |
3.2 |
-0.1 |
0.420 |
0 |
0 |
0 |
0.000 |
Average: |
15.2 |
-0.2 |
0.432 |
0 |
0 |
0 |
0.000 |
40 |
76 |
|
[NAG]C:402 |
2 |
1 |
360 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
14670 |
27.0 |
0.5 |
0.509 |
0 |
0 |
0 |
0.000 |
77 |
|
[NAG]F:402 |
2 |
1 |
364 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
14727 |
22.0 |
0.8 |
0.547 |
0 |
0 |
0 |
0.000 |
Average: |
24.5 |
0.6 |
0.528 |
0 |
0 |
0 |
0.000 |
41 |
78 |
|
G |
2 |
1 |
14670 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
14727 |
20.0 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
79 |
|
H |
1 |
1 |
14546 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14767 |
9.4 |
-0.3 |
0.218 |
0 |
0 |
0 |
0.000 |
Average: |
14.7 |
-0.2 |
0.375 |
0 |
0 |
0 |
0.000 |
42 |
80 |
|
[NAG]B:402 |
2 |
1 |
362 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14767 |
19.6 |
0.8 |
0.438 |
0 |
0 |
0 |
0.000 |
43 |
81 |
|
A |
3 |
3 |
14865 |
◊ |
F |
-y+1/2,x+1/2,z+1/4 |
3_555 |
3 |
1 |
14513 |
13.5 |
-0.4 |
0.388 |
0 |
0 |
0 |
0.000 |
|