| ## |
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 |
|
D |
238 |
59 |
13616 |
◊ |
B |
x,y,z |
1_555 |
238 |
59 |
13810 |
2049.1 |
-19.4 |
0.263 |
30 |
12 |
0 |
1.000 |
2 |
|
C |
241 |
59 |
13844 |
◊ |
A |
x,y,z |
1_555 |
236 |
59 |
13862 |
2039.5 |
-18.8 |
0.245 |
29 |
12 |
0 |
1.000 |
| Average: |
2044.3 |
-19.1 |
0.254 |
30 |
12 |
0 |
1.000 |
| 2 |
3 |
|
D |
99 |
25 |
13616 |
◊ |
A |
x,y,z-1 |
1_554 |
103 |
27 |
13862 |
894.8 |
-1.4 |
0.791 |
16 |
5 |
0 |
0.000 |
| 3 |
4 |
|
C |
64 |
17 |
13844 |
◊ |
B |
x,y,z |
1_555 |
62 |
15 |
13810 |
569.4 |
-6.7 |
0.243 |
2 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
49 |
17 |
13862 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
55 |
18 |
13862 |
434.5 |
-0.6 |
0.724 |
8 |
0 |
0 |
0.000 |
| 5 |
6 |
|
B |
34 |
9 |
13810 |
◊ |
D |
x,y-1,z |
1_545 |
38 |
15 |
13616 |
318.0 |
-2.8 |
0.420 |
5 |
0 |
0 |
0.000 |
| 6 |
7 |
|
B |
31 |
11 |
13810 |
x |
B |
-x+2,y-1/2,-z |
2_745 |
26 |
10 |
13810 |
272.8 |
-0.1 |
0.723 |
6 |
4 |
0 |
0.000 |
| 7 |
8 |
|
A |
25 |
8 |
13862 |
x |
A |
x,y-1,z |
1_545 |
32 |
8 |
13862 |
251.5 |
-1.8 |
0.461 |
3 |
0 |
0 |
0.000 |
| 8 |
9 |
|
[KOJ]C:1351 |
10 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
32 |
15 |
13844 |
174.9 |
1.7 |
0.167 |
5 |
0 |
0 |
0.032 |
10 |
|
[KOJ]A:1351 |
10 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
35 |
16 |
13862 |
173.5 |
1.6 |
0.131 |
4 |
0 |
0 |
0.032 |
11 |
|
[KOJ]D:1351 |
10 |
1 |
276 |
f |
D |
x,y,z |
1_555 |
32 |
14 |
13616 |
170.8 |
2.4 |
0.231 |
5 |
0 |
0 |
0.032 |
12 |
|
[KOJ]B:1351 |
10 |
1 |
277 |
f |
B |
x,y,z |
1_555 |
29 |
14 |
13810 |
165.8 |
2.2 |
0.195 |
4 |
0 |
0 |
0.032 |
| Average: |
171.2 |
2.0 |
0.181 |
5 |
0 |
0 |
0.032 |
| 9 |
13 |
|
C |
27 |
10 |
13844 |
x |
C |
x,y-1,z |
1_545 |
18 |
6 |
13844 |
172.9 |
0.6 |
0.771 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[NAG]A:1358 |
12 |
1 |
364 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
20 |
6 |
13862 |
146.3 |
3.9 |
0.436 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]D:1353 |
10 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
18 |
5 |
13616 |
129.0 |
4.6 |
0.588 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[NAG]C:1354 |
11 |
1 |
360 |
cf |
C |
x,y,z |
1_555 |
17 |
3 |
13844 |
127.4 |
4.7 |
0.546 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]A:1353 |
11 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
19 |
4 |
13862 |
124.2 |
4.5 |
0.517 |
0 |
0 |
0 |
0.000 |
18 |
|
[NAG]B:1353 |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
18 |
4 |
13810 |
123.6 |
4.7 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
125.1 |
4.6 |
0.524 |
0 |
0 |
0 |
0.000 |
| 13 |
19 |
|
[NAG]D:1356 |
11 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
15 |
7 |
13616 |
123.6 |
2.5 |
0.354 |
1 |
0 |
0 |
0.000 |
20 |
|
[NAG]B:1356 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
13 |
6 |
13810 |
119.5 |
2.5 |
0.318 |
1 |
0 |
0 |
0.000 |
| Average: |
121.5 |
2.5 |
0.336 |
1 |
0 |
0 |
0.000 |
| 14 |
21 |
|
[NAG]C:1357 |
11 |
1 |
358 |
cf |
C |
x,y,z |
1_555 |
18 |
7 |
13844 |
123.5 |
2.5 |
0.339 |
1 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:1356 |
11 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
15 |
7 |
13862 |
118.4 |
2.6 |
0.341 |
1 |
0 |
0 |
0.000 |
| Average: |
121.0 |
2.5 |
0.340 |
1 |
0 |
0 |
0.000 |
| 15 |
23 |
|
[NAG]D:1355 |
10 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13810 |
115.6 |
3.0 |
0.411 |
2 |
0 |
0 |
0.000 |
| 16 |
24 |
|
[NAG]A:1354 |
9 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
13844 |
115.6 |
3.0 |
0.457 |
2 |
0 |
0 |
0.000 |
25 |
|
[NAG]B:1355 |
9 |
1 |
359 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
13616 |
114.9 |
2.9 |
0.459 |
2 |
0 |
0 |
0.000 |
26 |
|
[NAG]C:1356 |
9 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
13862 |
108.0 |
2.9 |
0.435 |
2 |
0 |
0 |
0.000 |
| Average: |
112.8 |
3.0 |
0.451 |
2 |
0 |
0 |
0.000 |
| 17 |
27 |
|
[NAG]C:1358 |
11 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
17 |
4 |
13844 |
113.0 |
2.8 |
0.380 |
0 |
0 |
0 |
0.000 |
| 18 |
28 |
|
[NAG]A:1357 |
10 |
1 |
358 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
13862 |
101.5 |
2.9 |
0.369 |
2 |
0 |
0 |
0.000 |
| 19 |
29 |
|
[NAG]B:1354 |
8 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
13616 |
92.9 |
1.6 |
0.341 |
0 |
0 |
0 |
0.000 |
30 |
|
[NAG]C:1355 |
7 |
1 |
363 |
◊ |
A |
x,y,z |
1_555 |
18 |
9 |
13862 |
89.2 |
1.6 |
0.386 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]D:1354 |
8 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
17 |
9 |
13810 |
86.5 |
1.3 |
0.328 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]A:1355 |
7 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
15 |
7 |
13844 |
81.8 |
1.2 |
0.354 |
0 |
0 |
0 |
0.000 |
| Average: |
87.6 |
1.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[NAG]B:1357 |
11 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
10 |
2 |
13810 |
89.6 |
3.4 |
0.409 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
[NAG]A:1355 |
9 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
9 |
3 |
13862 |
79.0 |
2.0 |
0.327 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]D:1354 |
9 |
1 |
361 |
cf |
D |
x,y,z |
1_555 |
7 |
2 |
13616 |
78.5 |
2.1 |
0.373 |
0 |
0 |
0 |
0.000 |
36 |
|
[NAG]C:1355 |
9 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
6 |
2 |
13844 |
75.1 |
1.9 |
0.319 |
0 |
0 |
0 |
0.000 |
| Average: |
77.5 |
2.0 |
0.340 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[NAG]B:1354 |
8 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
13810 |
77.6 |
2.1 |
0.405 |
0 |
0 |
0 |
0.000 |
| 23 |
38 |
|
[NAG]D:1355 |
10 |
1 |
361 |
cf |
[NAG]D:1354 |
x,y,z |
1_555 |
7 |
1 |
361 |
74.6 |
2.0 |
0.090 |
0 |
0 |
0 |
0.000 |
39 |
|
[NAG]C:1356 |
9 |
1 |
363 |
cf |
[NAG]C:1355 |
x,y,z |
1_555 |
7 |
1 |
363 |
73.6 |
1.8 |
0.086 |
0 |
0 |
0 |
0.000 |
40 |
|
[NAG]B:1355 |
9 |
1 |
359 |
cf |
[NAG]B:1354 |
x,y,z |
1_555 |
7 |
1 |
361 |
73.4 |
2.1 |
0.106 |
0 |
0 |
0 |
0.000 |
41 |
|
[NAG]A:1355 |
7 |
1 |
360 |
cf |
[NAG]A:1354 |
x,y,z |
1_555 |
9 |
1 |
362 |
72.7 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
| Average: |
73.6 |
1.9 |
0.094 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
A |
8 |
3 |
13862 |
◊ |
[NAG]D:1353 |
x,y-1,z+1 |
1_546 |
7 |
1 |
359 |
62.6 |
0.4 |
0.206 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[MAN]B:1359 |
6 |
1 |
290 |
cf |
[MAN]B:1358 |
x,y,z |
1_555 |
5 |
1 |
290 |
62.5 |
2.8 |
0.327 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[MAN]B:1358 |
7 |
1 |
290 |
cf |
[NAG]B:1355 |
x,y,z |
1_555 |
5 |
1 |
359 |
60.7 |
1.1 |
0.115 |
0 |
0 |
0 |
0.000 |
45 |
|
[MAN]C:1359 |
7 |
1 |
288 |
cf |
[NAG]C:1356 |
x,y,z |
1_555 |
6 |
1 |
363 |
57.9 |
1.0 |
0.091 |
0 |
0 |
0 |
0.000 |
| Average: |
59.3 |
1.1 |
0.103 |
0 |
0 |
0 |
0.000 |
| 27 |
46 |
|
[MAN]C:1360 |
7 |
1 |
291 |
cf |
[MAN]C:1359 |
x,y,z |
1_555 |
6 |
1 |
288 |
58.8 |
2.6 |
0.191 |
0 |
0 |
0 |
0.000 |
| 28 |
47 |
|
[MAN]A:1361 |
7 |
1 |
293 |
cf |
[NAG]A:1354 |
x,y,z |
1_555 |
5 |
1 |
362 |
58.8 |
1.1 |
0.107 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[NAG]A:1358 |
8 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
4 |
1 |
13862 |
56.8 |
1.9 |
0.336 |
0 |
0 |
0 |
0.000 |
| 30 |
49 |
|
[MAN]C:1360 |
5 |
1 |
291 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
13862 |
55.6 |
0.7 |
0.229 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
B |
10 |
2 |
13810 |
◊ |
[MAN]B:1359 |
-x+2,y-1/2,-z |
2_745 |
5 |
1 |
290 |
54.4 |
-0.2 |
0.198 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
D |
9 |
4 |
13616 |
◊ |
[NAG]A:1357 |
x,y,z-1 |
1_554 |
5 |
1 |
358 |
51.9 |
-0.0 |
0.201 |
0 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[CU]C:1352 |
1 |
1 |
125 |
cf |
C |
x,y,z |
1_555 |
10 |
6 |
13844 |
50.0 |
-9.9 |
0.000 |
0 |
0 |
0 |
1.000 |
53 |
|
[CU]A:1352 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13862 |
48.8 |
-10.3 |
0.000 |
0 |
0 |
0 |
1.000 |
54 |
|
[CU]B:1352 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
13810 |
48.7 |
-10.6 |
0.000 |
0 |
0 |
0 |
1.000 |
55 |
|
[CU]D:1352 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
13616 |
47.6 |
-9.4 |
0.000 |
0 |
0 |
0 |
1.000 |
| Average: |
48.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
1.000 |
| 34 |
56 |
|
[MAN]B:1358 |
5 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
13616 |
46.1 |
0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
57 |
|
[MAN]C:1359 |
5 |
1 |
288 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13862 |
35.2 |
0.3 |
0.235 |
0 |
0 |
0 |
0.000 |
| Average: |
40.7 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[NAG]C:1358 |
4 |
1 |
361 |
◊ |
[NAG]B:1357 |
x,y,z |
1_555 |
4 |
1 |
360 |
44.1 |
0.9 |
0.220 |
1 |
0 |
0 |
0.000 |
| 36 |
59 |
|
B |
5 |
2 |
13810 |
◊ |
[NAG]B:1354 |
-x+2,y-1/2,-z |
2_745 |
3 |
1 |
361 |
43.3 |
1.5 |
0.541 |
0 |
0 |
0 |
0.000 |
| 37 |
60 |
|
[MAN]A:1361 |
5 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
13844 |
42.8 |
0.4 |
0.211 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
[CU]A:1352 |
1 |
1 |
125 |
cf |
[KOJ]A:1351 |
x,y,z |
1_555 |
4 |
1 |
276 |
38.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.335 |
62 |
|
[CU]D:1352 |
1 |
1 |
125 |
cf |
[KOJ]D:1351 |
x,y,z |
1_555 |
4 |
1 |
276 |
38.2 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.335 |
63 |
|
[CU]B:1352 |
1 |
1 |
125 |
f |
[KOJ]B:1351 |
x,y,z |
1_555 |
4 |
1 |
277 |
36.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.335 |
64 |
|
[CU]C:1352 |
1 |
1 |
125 |
cf |
[KOJ]C:1351 |
x,y,z |
1_555 |
4 |
1 |
279 |
35.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.335 |
| Average: |
37.2 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.335 |
| 39 |
65 |
|
B |
4 |
1 |
13810 |
◊ |
[NAG]B:1355 |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
359 |
33.2 |
0.8 |
0.712 |
1 |
0 |
0 |
0.000 |
| 40 |
66 |
|
B |
4 |
2 |
13810 |
◊ |
[MAN]B:1358 |
-x+2,y-1/2,-z |
2_745 |
5 |
1 |
290 |
27.2 |
0.7 |
0.360 |
0 |
0 |
0 |
0.000 |
| 41 |
67 |
|
B |
6 |
2 |
13810 |
◊ |
D |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
13616 |
27.1 |
-0.5 |
0.269 |
0 |
0 |
0 |
0.000 |
| 42 |
68 |
|
[MAN]C:1359 |
3 |
1 |
288 |
◊ |
A |
x,y-1,z |
1_545 |
2 |
1 |
13862 |
26.2 |
0.3 |
0.195 |
0 |
0 |
0 |
0.000 |
| 43 |
69 |
|
B |
2 |
2 |
13810 |
◊ |
[NAG]D:1354 |
-x+2,y-1/2,-z |
2_745 |
2 |
1 |
361 |
24.9 |
1.1 |
0.757 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[NAG]B:1357 |
3 |
1 |
360 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
13844 |
18.7 |
0.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
[MAN]C:1360 |
3 |
1 |
291 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
1 |
13862 |
18.4 |
-0.2 |
0.237 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
A |
2 |
1 |
13862 |
◊ |
D |
x,y-1,z+1 |
1_546 |
3 |
1 |
13616 |
16.1 |
0.4 |
0.803 |
1 |
0 |
0 |
0.000 |
| 47 |
73 |
|
[MAN]B:1359 |
4 |
1 |
290 |
f |
[NAG]B:1355 |
x,y,z |
1_555 |
2 |
1 |
359 |
12.6 |
0.3 |
0.172 |
0 |
0 |
0 |
0.000 |
| 48 |
74 |
|
[NAG]A:1355 |
1 |
1 |
360 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
13862 |
12.0 |
0.2 |
0.330 |
0 |
0 |
0 |
0.000 |
| 49 |
75 |
|
[NAG]B:1356 |
1 |
1 |
360 |
◊ |
[MAN]B:1359 |
-x+2,y-1/2,-z |
2_745 |
3 |
1 |
290 |
11.7 |
0.5 |
0.340 |
0 |
0 |
0 |
0.000 |
| 50 |
76 |
|
[MAN]C:1360 |
2 |
1 |
291 |
◊ |
D |
x,y-1,z+1 |
1_546 |
4 |
2 |
13616 |
11.0 |
0.4 |
0.431 |
0 |
0 |
0 |
0.000 |
| 51 |
77 |
|
[MAN]C:1360 |
2 |
1 |
291 |
f |
[NAG]C:1356 |
x,y,z |
1_555 |
1 |
1 |
363 |
6.9 |
0.3 |
0.194 |
0 |
0 |
0 |
0.000 |
|