| ## |
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 |
105 |
24 |
8520 |
◊ |
B |
x,y,z |
1_555 |
113 |
41 |
25855 |
1116.8 |
-2.8 |
0.401 |
23 |
13 |
0 |
1.000 |
2 |
|
C |
99 |
23 |
8427 |
◊ |
A |
x,y,z |
1_555 |
113 |
41 |
25520 |
1089.1 |
-3.4 |
0.499 |
16 |
12 |
0 |
1.000 |
| Average: |
1103.0 |
-3.1 |
0.450 |
20 |
13 |
0 |
1.000 |
| 2 |
3 |
|
A |
76 |
26 |
25520 |
◊ |
B |
x-1,y,z |
1_455 |
86 |
26 |
25855 |
768.7 |
0.1 |
0.644 |
5 |
4 |
0 |
0.000 |
| 3 |
4 |
|
B |
52 |
21 |
25855 |
◊ |
A |
x,y,z |
1_555 |
56 |
22 |
25520 |
581.9 |
1.6 |
0.761 |
5 |
2 |
0 |
0.034 |
| 4 |
5 |
|
D |
42 |
11 |
8520 |
◊ |
A |
x,y,z |
1_555 |
67 |
19 |
25520 |
479.3 |
-8.3 |
0.073 |
1 |
1 |
0 |
0.662 |
6 |
|
C |
44 |
12 |
8427 |
◊ |
B |
x,y,z |
1_555 |
61 |
17 |
25855 |
469.6 |
-8.2 |
0.076 |
3 |
1 |
0 |
0.662 |
| Average: |
474.5 |
-8.2 |
0.075 |
2 |
1 |
0 |
0.662 |
| 5 |
7 |
|
[LP4]C:300 |
35 |
1 |
970 |
f |
C |
x,y,z |
1_555 |
61 |
26 |
8427 |
474.5 |
-9.5 |
0.060 |
2 |
0 |
0 |
0.953 |
8 |
|
[LP4]D:300 |
34 |
1 |
966 |
f |
D |
x,y,z |
1_555 |
63 |
24 |
8520 |
473.2 |
-9.4 |
0.062 |
2 |
0 |
0 |
0.953 |
| Average: |
473.8 |
-9.4 |
0.061 |
2 |
0 |
0 |
0.953 |
| 6 |
9 |
|
[LP5]D:301 |
37 |
1 |
1052 |
f |
D |
x,y,z |
1_555 |
63 |
21 |
8520 |
466.6 |
-8.2 |
0.142 |
2 |
0 |
0 |
0.837 |
10 |
|
[LP5]C:301 |
37 |
1 |
1057 |
f |
C |
x,y,z |
1_555 |
62 |
21 |
8427 |
447.4 |
-7.7 |
0.164 |
3 |
0 |
0 |
0.837 |
| Average: |
457.0 |
-7.9 |
0.153 |
3 |
0 |
0 |
0.837 |
| 7 |
11 |
|
B |
42 |
12 |
25855 |
x |
B |
x,y,z-1 |
1_554 |
35 |
11 |
25855 |
360.4 |
-3.5 |
0.259 |
0 |
0 |
0 |
0.000 |
| 8 |
12 |
|
A |
32 |
8 |
25520 |
x |
A |
-x-1,y-1/2,-z+1 |
2_446 |
27 |
8 |
25520 |
281.8 |
0.1 |
0.621 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[MYR]D:303 |
15 |
1 |
492 |
f |
D |
x,y,z |
1_555 |
31 |
14 |
8520 |
217.0 |
0.5 |
0.103 |
0 |
0 |
0 |
0.000 |
14 |
|
[MYR]C:303 |
14 |
1 |
489 |
f |
C |
x,y,z |
1_555 |
30 |
13 |
8427 |
209.5 |
0.1 |
0.097 |
0 |
0 |
0 |
0.000 |
| Average: |
213.3 |
0.3 |
0.100 |
0 |
0 |
0 |
0.000 |
| 10 |
15 |
|
A |
24 |
8 |
25520 |
◊ |
D |
-x-1,y-1/2,-z |
2_445 |
23 |
8 |
8520 |
210.5 |
-4.1 |
0.154 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[LP5]C:301 |
13 |
1 |
1057 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
25855 |
170.5 |
0.1 |
0.576 |
2 |
0 |
0 |
0.049 |
17 |
|
[LP5]D:301 |
14 |
1 |
1052 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
25520 |
169.4 |
-0.1 |
0.561 |
1 |
0 |
0 |
0.049 |
| Average: |
170.0 |
-0.0 |
0.569 |
2 |
0 |
0 |
0.049 |
| 12 |
18 |
|
[NAG]B:701 |
12 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
19 |
11 |
25855 |
166.5 |
4.2 |
0.453 |
1 |
0 |
0 |
0.000 |
19 |
|
[NAG]A:802 |
12 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
21 |
12 |
25520 |
164.1 |
4.3 |
0.456 |
3 |
0 |
0 |
0.000 |
| Average: |
165.3 |
4.3 |
0.455 |
2 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[DAO]D:302 |
13 |
1 |
433 |
f |
D |
x,y,z |
1_555 |
27 |
9 |
8520 |
166.5 |
1.0 |
0.082 |
0 |
0 |
0 |
0.000 |
21 |
|
[DAO]C:302 |
11 |
1 |
436 |
f |
C |
x,y,z |
1_555 |
29 |
9 |
8427 |
163.4 |
1.1 |
0.116 |
0 |
0 |
0 |
0.000 |
| Average: |
164.9 |
1.1 |
0.099 |
0 |
0 |
0 |
0.000 |
| 14 |
22 |
|
[MYR]C:303 |
14 |
1 |
489 |
cf |
[LP4]C:300 |
x,y,z |
1_555 |
17 |
1 |
970 |
156.4 |
3.0 |
0.191 |
0 |
0 |
0 |
0.000 |
23 |
|
[MYR]D:303 |
13 |
1 |
492 |
cf |
[LP4]D:300 |
x,y,z |
1_555 |
17 |
1 |
966 |
154.2 |
3.1 |
0.230 |
0 |
0 |
0 |
0.000 |
| Average: |
155.3 |
3.1 |
0.211 |
0 |
0 |
0 |
0.000 |
| 15 |
24 |
|
[LP5]D:301 |
15 |
1 |
1052 |
cf |
[LP4]D:300 |
x,y,z |
1_555 |
18 |
1 |
966 |
152.9 |
2.7 |
0.729 |
0 |
0 |
0 |
0.000 |
25 |
|
[LP5]C:301 |
15 |
1 |
1057 |
cf |
[LP4]C:300 |
x,y,z |
1_555 |
18 |
1 |
970 |
152.4 |
3.0 |
0.728 |
0 |
0 |
0 |
0.000 |
| Average: |
152.6 |
2.9 |
0.729 |
0 |
0 |
0 |
0.000 |
| 16 |
26 |
|
[DAO]C:302 |
12 |
1 |
436 |
f |
[LP5]C:301 |
x,y,z |
1_555 |
18 |
1 |
1057 |
151.9 |
2.6 |
0.167 |
0 |
0 |
0 |
0.000 |
27 |
|
[DAO]D:302 |
12 |
1 |
433 |
f |
[LP5]D:301 |
x,y,z |
1_555 |
19 |
1 |
1052 |
149.3 |
2.8 |
0.205 |
0 |
0 |
0 |
0.000 |
| Average: |
150.6 |
2.7 |
0.186 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
[NAG]A:804 |
11 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
25520 |
141.8 |
3.7 |
0.411 |
1 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[NAG]A:800 |
11 |
1 |
353 |
cf |
A |
x,y,z |
1_555 |
17 |
7 |
25520 |
138.6 |
3.5 |
0.455 |
0 |
0 |
0 |
0.000 |
| 19 |
30 |
|
[NAG]A:801 |
13 |
1 |
360 |
cf |
A |
x,y,z |
1_555 |
23 |
7 |
25520 |
131.8 |
1.9 |
0.202 |
1 |
0 |
0 |
0.000 |
| 20 |
31 |
|
[NAG]A:800 |
10 |
1 |
353 |
◊ |
B |
x-1,y,z |
1_455 |
19 |
6 |
25855 |
127.4 |
3.1 |
0.440 |
1 |
0 |
0 |
0.000 |
| 21 |
32 |
|
[NAG]A:804 |
9 |
1 |
361 |
f |
[NAG]A:802 |
x,y,z |
1_555 |
9 |
1 |
359 |
80.7 |
3.4 |
0.119 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[NAG]B:702 |
10 |
1 |
357 |
cf |
[NAG]B:701 |
x,y,z |
1_555 |
7 |
1 |
360 |
73.7 |
1.9 |
0.088 |
1 |
0 |
0 |
0.000 |
34 |
|
[NAG]A:803 |
10 |
1 |
362 |
cf |
[NAG]A:802 |
x,y,z |
1_555 |
6 |
1 |
359 |
71.5 |
1.8 |
0.090 |
1 |
0 |
0 |
0.000 |
| Average: |
72.6 |
1.9 |
0.089 |
1 |
0 |
0 |
0.000 |
| 23 |
35 |
|
[DAO]D:302 |
5 |
1 |
433 |
cf |
[LP4]D:300 |
x,y,z |
1_555 |
9 |
1 |
966 |
58.8 |
2.5 |
0.354 |
0 |
0 |
0 |
0.000 |
36 |
|
[DAO]C:302 |
6 |
1 |
436 |
cf |
[LP4]C:300 |
x,y,z |
1_555 |
9 |
1 |
970 |
57.1 |
2.4 |
0.272 |
0 |
0 |
0 |
0.000 |
| Average: |
58.0 |
2.5 |
0.313 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[NAG]A:803 |
5 |
1 |
362 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
25520 |
56.6 |
2.3 |
0.525 |
1 |
0 |
0 |
0.000 |
38 |
|
[NAG]B:702 |
5 |
1 |
357 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
25855 |
55.8 |
2.2 |
0.559 |
1 |
0 |
0 |
0.000 |
| Average: |
56.2 |
2.3 |
0.542 |
1 |
0 |
0 |
0.000 |
| 25 |
39 |
|
[NAG]A:804 |
8 |
1 |
361 |
f |
[NAG]A:803 |
x,y,z |
1_555 |
6 |
1 |
362 |
50.4 |
1.1 |
0.090 |
1 |
0 |
0 |
0.000 |
| 26 |
40 |
|
[MYR]C:303 |
7 |
1 |
489 |
f |
[DAO]C:302 |
x,y,z |
1_555 |
6 |
1 |
436 |
50.3 |
3.2 |
0.155 |
0 |
0 |
0 |
0.000 |
41 |
|
[MYR]D:303 |
6 |
1 |
492 |
f |
[DAO]D:302 |
x,y,z |
1_555 |
5 |
1 |
433 |
49.9 |
3.2 |
0.220 |
0 |
0 |
0 |
0.000 |
| Average: |
50.1 |
3.2 |
0.187 |
0 |
0 |
0 |
0.000 |
| 27 |
42 |
|
[LP4]C:300 |
6 |
1 |
970 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
25520 |
44.7 |
0.9 |
0.700 |
1 |
0 |
0 |
0.000 |
43 |
|
[LP4]D:300 |
5 |
1 |
966 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
25855 |
44.3 |
0.9 |
0.709 |
1 |
0 |
0 |
0.000 |
| Average: |
44.5 |
0.9 |
0.704 |
1 |
0 |
0 |
0.000 |
| 28 |
44 |
|
[LP5]C:301 |
4 |
1 |
1057 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
25520 |
34.2 |
0.7 |
0.779 |
0 |
0 |
0 |
0.002 |
45 |
|
[LP5]D:301 |
1 |
1 |
1052 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
25855 |
3.1 |
-0.0 |
0.431 |
0 |
0 |
0 |
0.002 |
| Average: |
18.7 |
0.4 |
0.605 |
0 |
0 |
0 |
0.002 |
| 29 |
46 |
|
[MYR]D:303 |
4 |
1 |
492 |
f |
[LP5]D:301 |
x,y,z |
1_555 |
2 |
1 |
1052 |
30.2 |
0.1 |
0.227 |
0 |
0 |
0 |
0.000 |
47 |
|
[MYR]C:303 |
4 |
1 |
489 |
f |
[LP5]C:301 |
x,y,z |
1_555 |
3 |
1 |
1057 |
30.0 |
0.0 |
0.231 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.1 |
0.229 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
C |
2 |
2 |
8427 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
25855 |
4.1 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 31 |
49 |
|
A |
1 |
1 |
25520 |
◊ |
B |
x-1,y,z+1 |
1_456 |
1 |
1 |
25855 |
3.3 |
-0.0 |
0.523 |
0 |
0 |
0 |
0.000 |
| 32 |
50 |
|
[MYR]C:303 |
1 |
1 |
489 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
25520 |
2.7 |
0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
51 |
|
[MYR]D:303 |
1 |
1 |
492 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
25855 |
0.8 |
0.0 |
0.449 |
0 |
0 |
0 |
0.000 |
| Average: |
1.8 |
0.1 |
0.460 |
0 |
0 |
0 |
0.000 |
|