| ## |
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 |
|
E |
61 |
8 |
1158 |
◊ |
A |
x,y,z |
1_555 |
121 |
39 |
36135 |
797.1 |
-8.4 |
0.289 |
1 |
1 |
0 |
1.000 |
2 |
|
F |
62 |
8 |
1182 |
◊ |
C |
x,y,z |
1_555 |
122 |
39 |
33948 |
772.5 |
-6.6 |
0.378 |
2 |
0 |
0 |
1.000 |
| Average: |
784.8 |
-7.5 |
0.333 |
2 |
1 |
0 |
1.000 |
| 2 |
3 |
|
A |
76 |
21 |
36135 |
◊ |
C |
x,y,z-1 |
1_554 |
78 |
27 |
33948 |
765.6 |
-8.3 |
0.067 |
7 |
3 |
0 |
0.000 |
| 3 |
4 |
|
C |
55 |
19 |
33948 |
◊ |
A |
x,y,z |
1_555 |
57 |
20 |
36135 |
539.1 |
1.0 |
0.686 |
8 |
6 |
0 |
0.000 |
| 4 |
5 |
|
A |
25 |
7 |
36135 |
x |
A |
-x+1,y-1/2,-z |
2_645 |
42 |
12 |
36135 |
311.0 |
-2.2 |
0.367 |
4 |
0 |
0 |
0.000 |
| 5 |
6 |
|
A |
20 |
5 |
36135 |
x |
A |
-x,y-1/2,-z |
2_545 |
23 |
8 |
36135 |
219.9 |
-0.5 |
0.269 |
2 |
0 |
0 |
0.000 |
| 6 |
7 |
|
[2X0]F:1 |
13 |
1 |
369 |
◊ |
C |
x,y,z |
1_555 |
41 |
17 |
33948 |
198.0 |
1.4 |
0.215 |
6 |
0 |
0 |
0.114 |
| 7 |
8 |
|
[2X0]E:1 |
13 |
1 |
368 |
◊ |
A |
x,y,z |
1_555 |
41 |
16 |
36135 |
196.3 |
1.5 |
0.289 |
5 |
0 |
0 |
0.115 |
| 8 |
9 |
|
[NAG]A:1071 |
12 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
22 |
9 |
36135 |
165.4 |
4.7 |
0.480 |
2 |
0 |
0 |
0.000 |
| 9 |
10 |
|
[NAG]C:1003 |
10 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
21 |
8 |
33948 |
163.9 |
3.5 |
0.402 |
2 |
0 |
0 |
0.000 |
| 10 |
11 |
|
[NAG]C:1009 |
11 |
1 |
364 |
cf |
C |
x,y,z |
1_555 |
21 |
10 |
33948 |
147.9 |
3.1 |
0.338 |
1 |
0 |
0 |
0.000 |
| 11 |
12 |
|
[NAG]A:1073 |
12 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
22 |
7 |
36135 |
142.0 |
3.9 |
0.418 |
2 |
0 |
0 |
0.000 |
| 12 |
13 |
|
[NAG]C:1011 |
9 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
20 |
9 |
33948 |
141.7 |
4.7 |
0.666 |
0 |
0 |
0 |
0.000 |
| 13 |
14 |
|
[NAG]A:1076 |
8 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
21 |
9 |
36135 |
138.6 |
4.1 |
0.582 |
0 |
0 |
0 |
0.000 |
| 14 |
15 |
|
[LYN]E:10 |
10 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
36135 |
138.3 |
1.4 |
0.571 |
0 |
2 |
0 |
0.000 |
| 15 |
16 |
|
[NAG]C:1007 |
11 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
20 |
7 |
33948 |
136.6 |
3.6 |
0.416 |
2 |
0 |
0 |
0.000 |
| 16 |
17 |
|
C |
13 |
7 |
33948 |
x |
C |
-x,y-1/2,-z+1 |
2_546 |
18 |
7 |
33948 |
134.1 |
-2.9 |
0.083 |
0 |
0 |
0 |
0.000 |
| 17 |
18 |
|
C |
15 |
5 |
33948 |
x |
C |
x-1,y,z |
1_455 |
17 |
5 |
33948 |
133.1 |
-0.1 |
0.591 |
1 |
3 |
0 |
0.000 |
19 |
|
A |
7 |
3 |
36135 |
x |
A |
x-1,y,z |
1_455 |
7 |
4 |
36135 |
41.1 |
-0.4 |
0.492 |
0 |
0 |
0 |
0.000 |
| Average: |
87.1 |
-0.2 |
0.541 |
1 |
2 |
0 |
0.000 |
| 18 |
20 |
|
C |
15 |
4 |
33948 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
5 |
33948 |
130.0 |
-1.9 |
0.235 |
2 |
0 |
0 |
0.000 |
| 19 |
21 |
|
[NAG]A:1070 |
11 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
15 |
6 |
36135 |
116.8 |
3.0 |
0.387 |
2 |
0 |
0 |
0.000 |
| 20 |
22 |
|
[NAG]C:1004 |
6 |
1 |
362 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
36135 |
103.0 |
3.1 |
0.596 |
3 |
0 |
0 |
0.000 |
| 21 |
23 |
|
[NAG]A:1069 |
8 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
9 |
4 |
36135 |
98.6 |
2.6 |
0.471 |
1 |
0 |
0 |
0.000 |
| 22 |
24 |
|
[NAG]A:1082 |
9 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
12 |
6 |
36135 |
97.6 |
2.2 |
0.317 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[NAG]A:1081 |
9 |
1 |
365 |
cf |
A |
x,y,z |
1_555 |
11 |
4 |
36135 |
95.1 |
3.0 |
0.392 |
0 |
0 |
0 |
0.000 |
| 24 |
26 |
|
[NAG]C:1012 |
10 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
11 |
4 |
33948 |
94.3 |
2.6 |
0.290 |
0 |
0 |
0 |
0.000 |
| 25 |
27 |
|
[LYN]F:10 |
8 |
1 |
329 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
33948 |
94.2 |
2.2 |
0.734 |
1 |
1 |
0 |
0.000 |
| 26 |
28 |
|
[EDO]C:1962 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
17 |
8 |
33948 |
91.9 |
3.2 |
0.457 |
1 |
0 |
0 |
0.000 |
| 27 |
29 |
|
[NAG]C:1006 |
7 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
33948 |
91.0 |
3.1 |
0.585 |
0 |
0 |
0 |
0.000 |
| 28 |
30 |
|
[BMA]C:1005 |
7 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
36135 |
89.7 |
1.5 |
0.341 |
1 |
0 |
0 |
0.000 |
| 29 |
31 |
|
[NAG]A:1080 |
9 |
1 |
356 |
cf |
[NAG]A:1079 |
x,y,z |
1_555 |
9 |
1 |
358 |
86.5 |
2.7 |
0.096 |
0 |
0 |
0 |
0.000 |
| 30 |
32 |
|
[2X0]F:1 |
9 |
1 |
369 |
cf |
F |
x,y,z |
1_555 |
10 |
2 |
1182 |
85.0 |
1.3 |
0.323 |
0 |
0 |
0 |
0.000 |
33 |
|
[2X0]E:1 |
10 |
1 |
368 |
cf |
E |
x,y,z |
1_555 |
10 |
2 |
1158 |
83.2 |
1.3 |
0.269 |
0 |
0 |
0 |
0.000 |
| Average: |
84.1 |
1.3 |
0.296 |
0 |
0 |
0 |
0.000 |
| 31 |
34 |
|
[NAG]A:1079 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
8 |
4 |
36135 |
85.0 |
2.0 |
0.275 |
0 |
0 |
0 |
0.000 |
| 32 |
35 |
|
[NAG]A:1072 |
7 |
1 |
358 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
33948 |
84.5 |
2.7 |
0.522 |
1 |
0 |
0 |
0.000 |
| 33 |
36 |
|
[NAG]C:1013 |
9 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
9 |
4 |
33948 |
82.7 |
2.2 |
0.336 |
0 |
0 |
0 |
0.000 |
| 34 |
37 |
|
[NAG]C:1010 |
9 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
6 |
3 |
33948 |
77.0 |
2.3 |
0.349 |
0 |
0 |
0 |
0.000 |
| 35 |
38 |
|
[EDO]A:1965 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
36135 |
74.9 |
3.2 |
0.338 |
3 |
0 |
0 |
0.000 |
| 36 |
39 |
|
[NAG]A:1074 |
9 |
1 |
359 |
cf |
[NAG]A:1073 |
x,y,z |
1_555 |
6 |
1 |
364 |
74.8 |
1.8 |
0.101 |
0 |
0 |
0 |
0.000 |
| 37 |
40 |
|
[NAG]C:1008 |
9 |
1 |
358 |
cf |
[NAG]C:1007 |
x,y,z |
1_555 |
6 |
1 |
362 |
73.3 |
1.9 |
0.091 |
0 |
0 |
0 |
0.000 |
| 38 |
41 |
|
[NAG]A:1077 |
8 |
1 |
364 |
cf |
[NAG]A:1076 |
x,y,z |
1_555 |
6 |
1 |
363 |
73.3 |
2.5 |
0.151 |
0 |
0 |
0 |
0.000 |
| 39 |
42 |
|
[NAG]C:1004 |
9 |
1 |
362 |
cf |
[NAG]C:1003 |
x,y,z |
1_555 |
6 |
1 |
355 |
69.0 |
1.5 |
0.086 |
1 |
0 |
0 |
0.000 |
43 |
|
[NAG]A:1072 |
9 |
1 |
358 |
cf |
[NAG]A:1071 |
x,y,z |
1_555 |
6 |
1 |
363 |
68.2 |
1.2 |
0.086 |
1 |
0 |
0 |
0.000 |
| Average: |
68.6 |
1.3 |
0.086 |
1 |
0 |
0 |
0.000 |
| 40 |
44 |
|
[EDO]A:1964 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
36135 |
65.6 |
1.9 |
0.268 |
1 |
0 |
0 |
0.000 |
| 41 |
45 |
|
[BMA]A:1078 |
6 |
1 |
290 |
cf |
[NAG]A:1077 |
x,y,z |
1_555 |
6 |
1 |
364 |
63.5 |
1.3 |
0.136 |
1 |
0 |
0 |
0.000 |
| 42 |
46 |
|
[LYN]F:10 |
5 |
1 |
329 |
cf |
F |
x,y,z |
1_555 |
8 |
3 |
1182 |
63.5 |
-0.4 |
0.505 |
0 |
0 |
0 |
0.040 |
| 43 |
47 |
|
[MES]A:2002 |
6 |
1 |
326 |
f |
[NAG]A:1074 |
x,y,z |
1_555 |
7 |
1 |
359 |
59.7 |
2.6 |
0.040 |
0 |
0 |
0 |
0.000 |
| 44 |
48 |
|
[BMA]A:1075 |
6 |
1 |
289 |
cf |
[NAG]A:1074 |
x,y,z |
1_555 |
5 |
1 |
359 |
59.4 |
1.2 |
0.120 |
1 |
0 |
0 |
0.000 |
| 45 |
49 |
|
[BMA]C:1002 |
6 |
1 |
294 |
cf |
[BMA]C:1001 |
x,y,z |
1_555 |
5 |
1 |
287 |
59.1 |
1.8 |
0.145 |
0 |
0 |
0 |
0.000 |
| 46 |
50 |
|
[BMA]C:1005 |
7 |
1 |
291 |
cf |
[BMA]C:1001 |
x,y,z |
1_555 |
7 |
1 |
287 |
57.9 |
2.1 |
0.135 |
0 |
0 |
0 |
0.000 |
| 47 |
51 |
|
[LYN]E:10 |
4 |
1 |
315 |
cf |
E |
x,y,z |
1_555 |
5 |
2 |
1158 |
57.6 |
0.1 |
0.556 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[BMA]C:1001 |
5 |
1 |
287 |
cf |
[NAG]C:1004 |
x,y,z |
1_555 |
7 |
1 |
362 |
55.4 |
1.4 |
0.109 |
0 |
0 |
0 |
0.000 |
| 49 |
53 |
|
[EDO]C:1963 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
33948 |
52.3 |
2.2 |
0.932 |
1 |
0 |
0 |
0.000 |
| 50 |
54 |
|
[BMA]C:1001 |
6 |
1 |
287 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
36135 |
44.9 |
1.8 |
0.326 |
1 |
0 |
0 |
0.000 |
| 51 |
55 |
|
C |
6 |
3 |
33948 |
f |
[EDO]C:1962 |
-x,y-1/2,-z+1 |
2_546 |
4 |
1 |
184 |
38.5 |
0.8 |
0.881 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
A |
7 |
2 |
36135 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
4 |
1 |
33948 |
38.4 |
0.8 |
0.822 |
0 |
0 |
0 |
0.000 |
| 53 |
57 |
|
[NAG]A:1074 |
2 |
1 |
359 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
36135 |
33.2 |
0.7 |
0.451 |
0 |
0 |
0 |
0.000 |
| 54 |
58 |
|
[NAG]C:1008 |
4 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
33948 |
31.2 |
0.0 |
0.159 |
0 |
0 |
0 |
0.000 |
| 55 |
59 |
|
[ZN]C:1020 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
33948 |
31.0 |
-23.0 |
0.000 |
0 |
0 |
0 |
1.000 |
60 |
|
[ZN]A:1008 |
1 |
1 |
98 |
cf |
A |
x,y,z |
1_555 |
9 |
6 |
36135 |
29.8 |
-22.3 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
30.4 |
-22.6 |
0.000 |
0 |
0 |
0 |
1.000 |
| 56 |
61 |
|
[NAG]C:1004 |
4 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
33948 |
29.9 |
0.6 |
0.356 |
0 |
0 |
0 |
0.000 |
62 |
|
[NAG]A:1072 |
3 |
1 |
358 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
36135 |
26.6 |
0.6 |
0.402 |
1 |
0 |
0 |
0.000 |
| Average: |
28.3 |
0.6 |
0.379 |
1 |
0 |
0 |
0.000 |
| 57 |
63 |
|
[MES]A:2002 |
4 |
1 |
326 |
f |
[BMA]A:1075 |
x,y,z |
1_555 |
3 |
1 |
289 |
26.0 |
1.1 |
0.066 |
0 |
0 |
0 |
0.000 |
| 58 |
64 |
|
[2X0]E:1 |
4 |
1 |
368 |
◊ |
[ZN]A:1008 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
1.000 |
65 |
|
[2X0]F:1 |
4 |
1 |
369 |
◊ |
[ZN]C:1020 |
x,y,z |
1_555 |
1 |
1 |
98 |
24.8 |
-10.7 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
25.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
1.000 |
| 59 |
66 |
|
[NAG]A:1077 |
1 |
1 |
364 |
f |
A |
x,y,z |
1_555 |
3 |
2 |
36135 |
22.3 |
-0.0 |
0.413 |
0 |
0 |
0 |
0.008 |
| 60 |
67 |
|
[MES]A:2002 |
3 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
36135 |
17.2 |
0.3 |
0.110 |
0 |
0 |
0 |
0.000 |
| 61 |
68 |
|
C |
2 |
1 |
33948 |
◊ |
[NAG]C:1008 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
358 |
16.7 |
0.2 |
0.222 |
0 |
0 |
0 |
0.000 |
| 62 |
69 |
|
[ZN]A:1008 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
1158 |
14.7 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.944 |
70 |
|
[ZN]C:1020 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
1182 |
13.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.944 |
| Average: |
14.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.944 |
| 63 |
71 |
|
[BMA]C:1005 |
2 |
1 |
291 |
f |
[NAG]C:1004 |
x,y,z |
1_555 |
2 |
1 |
362 |
11.9 |
0.2 |
0.187 |
0 |
0 |
0 |
0.000 |
| 64 |
72 |
|
[NAG]A:1071 |
1 |
1 |
363 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
33948 |
10.2 |
-0.0 |
0.295 |
0 |
0 |
0 |
0.000 |
| 65 |
73 |
|
[NAG]C:1003 |
1 |
1 |
355 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
36135 |
8.3 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
| 66 |
74 |
|
[BMA]C:1005 |
2 |
1 |
291 |
f |
[BMA]C:1002 |
x,y,z |
1_555 |
1 |
1 |
294 |
4.7 |
0.2 |
0.212 |
0 |
0 |
0 |
0.000 |
| 67 |
75 |
|
[EDO]A:1964 |
1 |
1 |
185 |
f |
[NAG]A:1073 |
x,y,z |
1_555 |
1 |
1 |
364 |
4.6 |
0.3 |
0.535 |
0 |
0 |
0 |
0.000 |
| 68 |
76 |
|
[NAG]A:1080 |
4 |
1 |
356 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
36135 |
4.2 |
0.2 |
0.313 |
0 |
0 |
0 |
0.000 |
| 69 |
77 |
|
[BMA]C:1002 |
1 |
1 |
294 |
f |
[NAG]C:1004 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|