| ## |
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 |
|
N |
427 |
115 |
26724 |
◊ |
H |
x,y,z |
1_555 |
450 |
123 |
27085 |
4298.3 |
-70.1 |
0.042 |
14 |
6 |
0 |
1.000 |
2 |
|
L |
433 |
121 |
26587 |
◊ |
H |
x,y,z |
1_555 |
430 |
118 |
27085 |
4263.5 |
-67.9 |
0.052 |
13 |
8 |
0 |
1.000 |
3 |
|
D |
422 |
112 |
26750 |
◊ |
B |
x,y,z |
1_555 |
442 |
123 |
26898 |
4230.2 |
-68.5 |
0.047 |
11 |
8 |
0 |
1.000 |
4 |
|
F |
436 |
123 |
26322 |
◊ |
B |
x,y,z |
1_555 |
421 |
118 |
26898 |
4208.7 |
-68.7 |
0.034 |
13 |
6 |
0 |
1.000 |
5 |
|
N |
420 |
121 |
26724 |
◊ |
L |
x,y,z |
1_555 |
422 |
117 |
26587 |
4207.7 |
-66.2 |
0.045 |
8 |
4 |
0 |
1.000 |
6 |
|
F |
428 |
118 |
26322 |
◊ |
D |
x,y,z |
1_555 |
431 |
125 |
26750 |
4169.6 |
-65.5 |
0.055 |
13 |
6 |
0 |
1.000 |
| Average: |
4229.7 |
-67.8 |
0.046 |
12 |
6 |
0 |
1.000 |
| 2 |
7 |
|
B |
374 |
97 |
26898 |
◊ |
A |
x,y,z |
1_555 |
290 |
60 |
7962 |
3114.9 |
-47.7 |
0.285 |
33 |
5 |
2 |
1.000 |
8 |
|
F |
365 |
96 |
26322 |
◊ |
E |
x,y,z |
1_555 |
288 |
60 |
8038 |
3113.3 |
-45.7 |
0.326 |
39 |
4 |
2 |
1.000 |
9 |
|
L |
378 |
96 |
26587 |
◊ |
I |
x,y,z |
1_555 |
292 |
61 |
7872 |
3107.3 |
-47.8 |
0.311 |
37 |
5 |
2 |
1.000 |
10 |
|
H |
363 |
98 |
27085 |
◊ |
G |
x,y,z |
1_555 |
280 |
60 |
8019 |
3092.7 |
-48.8 |
0.217 |
36 |
4 |
2 |
1.000 |
11 |
|
N |
369 |
96 |
26724 |
◊ |
M |
x,y,z |
1_555 |
285 |
60 |
7919 |
3073.1 |
-45.9 |
0.288 |
32 |
4 |
2 |
1.000 |
12 |
|
D |
372 |
96 |
26750 |
◊ |
C |
x,y,z |
1_555 |
282 |
59 |
7949 |
3056.2 |
-48.4 |
0.247 |
32 |
4 |
2 |
1.000 |
| Average: |
3092.9 |
-47.4 |
0.279 |
35 |
4 |
2 |
1.000 |
| 3 |
13 |
|
L |
184 |
48 |
26587 |
◊ |
M |
x,y,z |
1_555 |
151 |
39 |
7919 |
1541.8 |
-11.1 |
0.842 |
10 |
1 |
0 |
1.000 |
14 |
|
B |
182 |
45 |
26898 |
◊ |
E |
x,y,z |
1_555 |
150 |
37 |
8038 |
1527.7 |
-8.9 |
0.883 |
12 |
2 |
0 |
1.000 |
15 |
|
D |
180 |
45 |
26750 |
◊ |
A |
x,y,z |
1_555 |
152 |
37 |
7962 |
1516.9 |
-10.4 |
0.867 |
8 |
0 |
0 |
1.000 |
16 |
|
H |
172 |
42 |
27085 |
◊ |
I |
x,y,z |
1_555 |
148 |
38 |
7872 |
1513.8 |
-13.2 |
0.776 |
10 |
1 |
0 |
1.000 |
17 |
|
F |
169 |
41 |
26322 |
◊ |
C |
x,y,z |
1_555 |
150 |
39 |
7949 |
1506.9 |
-10.9 |
0.840 |
10 |
1 |
0 |
1.000 |
18 |
|
N |
173 |
43 |
26724 |
◊ |
G |
x,y,z |
1_555 |
149 |
39 |
8019 |
1466.7 |
-13.9 |
0.740 |
8 |
0 |
0 |
1.000 |
| Average: |
1512.3 |
-11.4 |
0.824 |
10 |
1 |
0 |
1.000 |
| 4 |
19 |
|
H |
38 |
9 |
27085 |
◊ |
B |
x,y,z |
1_555 |
39 |
10 |
26898 |
324.8 |
-2.4 |
0.700 |
2 |
3 |
0 |
0.004 |
| 5 |
20 |
|
H |
32 |
9 |
27085 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
42 |
12 |
26750 |
300.7 |
-2.8 |
0.681 |
1 |
3 |
0 |
0.000 |
21 |
|
N |
32 |
10 |
26724 |
◊ |
B |
-x-2,y-1/2,-z |
2_345 |
35 |
11 |
26898 |
283.2 |
-2.1 |
0.691 |
0 |
2 |
0 |
0.000 |
| Average: |
291.9 |
-2.4 |
0.686 |
1 |
3 |
0 |
0.000 |
| 6 |
22 |
|
L |
38 |
11 |
26587 |
◊ |
F |
-x-1,y-1/2,-z |
2_445 |
27 |
8 |
26322 |
291.7 |
-2.4 |
0.630 |
1 |
1 |
0 |
0.000 |
| 7 |
23 |
|
L |
36 |
11 |
26587 |
◊ |
D |
-x-2,y-1/2,-z |
2_345 |
18 |
7 |
26750 |
286.8 |
-5.1 |
0.199 |
0 |
0 |
0 |
0.000 |
24 |
|
N |
19 |
6 |
26724 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
33 |
11 |
26322 |
266.3 |
-5.3 |
0.191 |
0 |
1 |
0 |
0.000 |
| Average: |
276.6 |
-5.2 |
0.195 |
0 |
1 |
0 |
0.000 |
| 8 |
25 |
|
H |
23 |
7 |
27085 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
36 |
11 |
26898 |
256.8 |
-2.4 |
0.613 |
3 |
1 |
0 |
0.000 |
26 |
|
H |
36 |
11 |
27085 |
◊ |
B |
-x-2,y-1/2,-z |
2_345 |
22 |
7 |
26898 |
255.7 |
-2.0 |
0.660 |
3 |
0 |
0 |
0.000 |
| Average: |
256.3 |
-2.2 |
0.636 |
3 |
1 |
0 |
0.000 |
| 9 |
27 |
|
L |
33 |
9 |
26587 |
◊ |
B |
-x-2,y-1/2,-z |
2_345 |
22 |
7 |
26898 |
225.0 |
-1.7 |
0.660 |
1 |
0 |
0 |
0.000 |
28 |
|
H |
17 |
6 |
27085 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
31 |
10 |
26322 |
224.1 |
-2.1 |
0.539 |
1 |
0 |
0 |
0.000 |
| Average: |
224.6 |
-1.9 |
0.600 |
1 |
0 |
0 |
0.000 |
| 10 |
29 |
|
B |
19 |
4 |
26898 |
◊ |
M |
x,y,z |
1_555 |
17 |
6 |
7919 |
134.8 |
-0.2 |
0.761 |
1 |
0 |
0 |
0.003 |
30 |
|
H |
17 |
4 |
27085 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
7949 |
134.1 |
0.5 |
0.821 |
1 |
0 |
0 |
0.003 |
| Average: |
134.4 |
0.1 |
0.791 |
1 |
0 |
0 |
0.003 |
| 11 |
31 |
|
L |
14 |
6 |
26587 |
◊ |
C |
-x-1,y-1/2,-z |
2_445 |
10 |
2 |
7949 |
122.5 |
-0.6 |
0.659 |
0 |
0 |
0 |
0.000 |
| 12 |
32 |
|
[NAG]H:800 |
9 |
1 |
356 |
cf |
H |
x,y,z |
1_555 |
16 |
4 |
27085 |
105.2 |
3.1 |
0.506 |
0 |
0 |
0 |
0.000 |
| 13 |
33 |
|
[NAG]A:770 |
10 |
1 |
354 |
cf |
A |
x,y,z |
1_555 |
13 |
4 |
7962 |
104.6 |
2.8 |
0.450 |
0 |
0 |
0 |
0.000 |
| 14 |
34 |
|
[NAG]L:800 |
10 |
1 |
358 |
cf |
L |
x,y,z |
1_555 |
14 |
4 |
26587 |
102.1 |
3.0 |
0.428 |
0 |
0 |
0 |
0.000 |
35 |
|
[NAG]F:800 |
8 |
1 |
353 |
cf |
F |
x,y,z |
1_555 |
12 |
4 |
26322 |
88.8 |
2.6 |
0.480 |
0 |
0 |
0 |
0.000 |
| Average: |
95.5 |
2.8 |
0.454 |
0 |
0 |
0 |
0.000 |
| 15 |
36 |
|
[NAG]B:800 |
7 |
1 |
358 |
cf |
B |
x,y,z |
1_555 |
13 |
4 |
26898 |
101.1 |
3.3 |
0.636 |
0 |
0 |
0 |
0.000 |
| 16 |
37 |
|
[NAG]N:800 |
7 |
1 |
355 |
cf |
N |
x,y,z |
1_555 |
14 |
4 |
26724 |
99.6 |
2.9 |
0.585 |
0 |
0 |
0 |
0.000 |
| 17 |
38 |
|
[NAG]M:770 |
9 |
1 |
352 |
cf |
M |
x,y,z |
1_555 |
13 |
3 |
7919 |
99.6 |
2.6 |
0.417 |
1 |
0 |
0 |
0.000 |
| 18 |
39 |
|
[NAG]D:800 |
9 |
1 |
355 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
26750 |
98.1 |
3.0 |
0.487 |
0 |
0 |
0 |
0.000 |
| 19 |
40 |
|
[NAG]C:770 |
8 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
11 |
3 |
7949 |
89.8 |
2.0 |
0.362 |
1 |
0 |
0 |
0.000 |
| 20 |
41 |
|
[NAG]E:770 |
9 |
1 |
353 |
cf |
E |
x,y,z |
1_555 |
12 |
3 |
8038 |
89.3 |
2.4 |
0.404 |
1 |
0 |
0 |
0.000 |
| 21 |
42 |
|
[NAG]I:770 |
9 |
1 |
352 |
cf |
I |
x,y,z |
1_555 |
10 |
3 |
7872 |
87.6 |
2.5 |
0.421 |
0 |
0 |
0 |
0.000 |
| 22 |
43 |
|
H |
12 |
5 |
27085 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
7919 |
83.9 |
-0.6 |
0.636 |
0 |
0 |
0 |
0.005 |
44 |
|
B |
12 |
5 |
26898 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7949 |
82.3 |
-0.9 |
0.573 |
0 |
0 |
0 |
0.005 |
45 |
|
F |
9 |
2 |
26322 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
7962 |
78.5 |
-1.3 |
0.426 |
0 |
0 |
0 |
0.005 |
46 |
|
D |
10 |
4 |
26750 |
◊ |
E |
x,y,z |
1_555 |
9 |
3 |
8038 |
62.6 |
0.2 |
0.746 |
0 |
0 |
0 |
0.005 |
47 |
|
L |
9 |
5 |
26587 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
8019 |
61.1 |
-0.2 |
0.681 |
0 |
0 |
0 |
0.005 |
48 |
|
N |
8 |
4 |
26724 |
◊ |
I |
x,y,z |
1_555 |
8 |
3 |
7872 |
53.9 |
-0.0 |
0.709 |
0 |
0 |
0 |
0.005 |
| Average: |
70.4 |
-0.5 |
0.628 |
0 |
0 |
0 |
0.005 |
| 23 |
49 |
|
B |
8 |
4 |
26898 |
◊ |
F |
x-1,y,z |
1_455 |
10 |
4 |
26322 |
77.9 |
0.7 |
0.808 |
0 |
0 |
0 |
0.000 |
| 24 |
50 |
|
[NAG]G:770 |
5 |
1 |
353 |
cf |
G |
x,y,z |
1_555 |
6 |
3 |
8019 |
77.6 |
2.2 |
0.586 |
1 |
0 |
0 |
0.000 |
| 25 |
51 |
|
L |
5 |
3 |
26587 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
8 |
3 |
26898 |
61.5 |
-1.0 |
0.437 |
0 |
1 |
0 |
0.000 |
52 |
|
H |
6 |
2 |
27085 |
◊ |
F |
-x-2,y-1/2,-z |
2_345 |
5 |
2 |
26322 |
42.7 |
-0.6 |
0.508 |
0 |
0 |
0 |
0.000 |
| Average: |
52.1 |
-0.8 |
0.473 |
0 |
1 |
0 |
0.000 |
| 26 |
53 |
|
N |
3 |
2 |
26724 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26898 |
48.0 |
0.9 |
0.851 |
1 |
0 |
0 |
0.000 |
54 |
|
H |
5 |
2 |
27085 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
26750 |
32.8 |
0.9 |
0.779 |
0 |
0 |
0 |
0.000 |
| Average: |
40.4 |
0.9 |
0.815 |
1 |
0 |
0 |
0.000 |
| 27 |
55 |
|
[NAG]C:770 |
6 |
1 |
355 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
27085 |
43.2 |
0.4 |
0.275 |
0 |
0 |
0 |
0.000 |
| 28 |
56 |
|
H |
2 |
1 |
27085 |
◊ |
D |
-x-2,y-1/2,-z |
2_345 |
8 |
3 |
26750 |
31.6 |
1.0 |
0.836 |
0 |
0 |
0 |
0.000 |
57 |
|
N |
7 |
3 |
26724 |
◊ |
B |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
26898 |
29.1 |
1.1 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
30.4 |
1.1 |
0.820 |
0 |
0 |
0 |
0.000 |
| 29 |
58 |
|
[NAG]M:770 |
5 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
26898 |
26.8 |
0.1 |
0.248 |
0 |
0 |
0 |
0.000 |
| 30 |
59 |
|
[NAG]I:770 |
1 |
1 |
352 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
26587 |
22.7 |
0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
| 31 |
60 |
|
[NAG]E:770 |
2 |
1 |
353 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
26322 |
19.1 |
0.5 |
0.516 |
0 |
0 |
0 |
0.000 |
| 32 |
61 |
|
L |
3 |
1 |
26587 |
◊ |
A |
-x-1,y-1/2,-z |
2_445 |
1 |
1 |
7962 |
15.6 |
0.4 |
0.664 |
0 |
0 |
0 |
0.000 |
| 33 |
62 |
|
[NAG]G:770 |
1 |
1 |
353 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
27085 |
12.7 |
0.4 |
0.682 |
0 |
0 |
0 |
0.000 |
| 34 |
63 |
|
N |
4 |
2 |
26724 |
◊ |
D |
-x-2,y-1/2,-z |
2_345 |
2 |
2 |
26750 |
9.1 |
0.2 |
0.745 |
0 |
0 |
0 |
0.000 |
64 |
|
N |
1 |
1 |
26724 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
3 |
1 |
26750 |
6.6 |
0.3 |
0.803 |
0 |
0 |
0 |
0.000 |
| Average: |
7.8 |
0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
| 35 |
65 |
|
L |
1 |
1 |
26587 |
◊ |
F |
-x,y-1/2,-z-1 |
2_544 |
2 |
1 |
26322 |
2.3 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
| 36 |
66 |
|
L |
1 |
1 |
26587 |
◊ |
D |
-x,y-1/2,-z-1 |
2_544 |
1 |
1 |
26750 |
0.7 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
|