| ## |
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 |
|
J |
887 |
238 |
70195 |
◊ |
I |
x,y,z |
1_555 |
823 |
210 |
54480 |
8456.2 |
-90.9 |
0.000 |
104 |
35 |
0 |
0.959 |
2 |
|
D |
891 |
238 |
76433 |
◊ |
C |
x,y,z |
1_555 |
816 |
209 |
54334 |
8424.1 |
-90.9 |
0.000 |
105 |
33 |
0 |
0.959 |
| Average: |
8440.2 |
-90.9 |
0.000 |
105 |
34 |
0 |
0.959 |
| 2 |
3 |
|
F |
401 |
115 |
24658 |
◊ |
D |
x,y,z |
1_555 |
403 |
121 |
76433 |
3840.7 |
-15.4 |
0.454 |
35 |
21 |
0 |
0.859 |
4 |
|
L |
406 |
112 |
24595 |
◊ |
J |
x,y,z |
1_555 |
395 |
119 |
70195 |
3832.0 |
-18.0 |
0.403 |
36 |
27 |
0 |
0.859 |
| Average: |
3836.4 |
-16.7 |
0.429 |
36 |
24 |
0 |
0.859 |
| 3 |
5 |
|
L |
272 |
73 |
24595 |
◊ |
I |
x,y,z |
1_555 |
262 |
70 |
54480 |
2473.1 |
-12.3 |
0.441 |
13 |
12 |
0 |
1.000 |
6 |
|
F |
263 |
72 |
24658 |
◊ |
C |
x,y,z |
1_555 |
256 |
69 |
54334 |
2418.8 |
-12.1 |
0.439 |
15 |
9 |
0 |
1.000 |
| Average: |
2446.0 |
-12.2 |
0.440 |
14 |
11 |
0 |
1.000 |
| 4 |
7 |
|
K |
228 |
57 |
7254 |
◊ |
J |
x,y,z |
1_555 |
234 |
60 |
70195 |
2286.4 |
-21.6 |
0.104 |
30 |
9 |
0 |
0.854 |
8 |
|
E |
229 |
57 |
7256 |
◊ |
D |
x,y,z |
1_555 |
231 |
58 |
76433 |
2283.1 |
-21.5 |
0.095 |
29 |
9 |
0 |
0.854 |
| Average: |
2284.7 |
-21.6 |
0.099 |
30 |
9 |
0 |
0.854 |
| 5 |
9 |
|
I |
230 |
64 |
54480 |
◊ |
G |
x,y,z |
1_555 |
216 |
61 |
13373 |
2037.3 |
-4.4 |
0.737 |
23 |
16 |
0 |
1.000 |
10 |
|
C |
226 |
61 |
54334 |
◊ |
A |
x,y,z |
1_555 |
214 |
61 |
13366 |
2027.5 |
-4.5 |
0.731 |
24 |
16 |
0 |
1.000 |
| Average: |
2032.4 |
-4.4 |
0.734 |
24 |
16 |
0 |
1.000 |
| 6 |
11 |
|
H |
191 |
54 |
13473 |
◊ |
G |
x,y,z |
1_555 |
197 |
53 |
13373 |
1894.9 |
-27.7 |
0.031 |
11 |
0 |
0 |
1.000 |
12 |
|
B |
191 |
53 |
13489 |
◊ |
A |
x,y,z |
1_555 |
197 |
53 |
13366 |
1893.0 |
-27.5 |
0.033 |
11 |
0 |
0 |
1.000 |
| Average: |
1894.0 |
-27.6 |
0.032 |
11 |
0 |
0 |
1.000 |
| 7 |
13 |
|
O |
199 |
21 |
11581 |
◊ |
F |
x,y,z |
1_555 |
199 |
49 |
24658 |
1843.3 |
-9.1 |
0.623 |
21 |
0 |
0 |
1.000 |
14 |
|
R |
196 |
22 |
11578 |
◊ |
L |
x,y,z |
1_555 |
199 |
49 |
24595 |
1841.0 |
-9.5 |
0.629 |
20 |
0 |
0 |
1.000 |
| Average: |
1842.2 |
-9.3 |
0.626 |
21 |
0 |
0 |
1.000 |
| 8 |
15 |
|
P |
188 |
35 |
11508 |
◊ |
O |
x,y,z |
1_555 |
188 |
35 |
11581 |
1636.5 |
-15.1 |
0.841 |
80 |
0 |
0 |
1.000 |
16 |
|
S |
188 |
35 |
10212 |
◊ |
R |
x,y,z |
1_555 |
189 |
35 |
11578 |
1633.7 |
-14.9 |
0.860 |
80 |
0 |
0 |
1.000 |
| Average: |
1635.1 |
-15.0 |
0.851 |
80 |
0 |
0 |
1.000 |
| 9 |
17 |
|
J |
141 |
41 |
70195 |
◊ |
D |
x,y,z |
1_555 |
140 |
43 |
76433 |
1312.3 |
-12.4 |
0.137 |
6 |
0 |
0 |
0.027 |
| 10 |
18 |
|
D |
138 |
41 |
76433 |
◊ |
B |
x,y,z |
1_555 |
141 |
35 |
13489 |
1306.9 |
-3.5 |
0.544 |
11 |
15 |
0 |
0.037 |
19 |
|
J |
136 |
40 |
70195 |
◊ |
H |
x,y,z |
1_555 |
140 |
35 |
13473 |
1302.0 |
-3.4 |
0.557 |
11 |
15 |
0 |
0.037 |
| Average: |
1304.5 |
-3.5 |
0.551 |
11 |
15 |
0 |
0.037 |
| 11 |
20 |
|
P |
138 |
20 |
11508 |
◊ |
F |
x,y,z |
1_555 |
139 |
41 |
24658 |
1230.1 |
-6.8 |
0.759 |
16 |
0 |
0 |
1.000 |
21 |
|
S |
91 |
16 |
10212 |
◊ |
L |
x,y,z |
1_555 |
102 |
30 |
24595 |
861.8 |
-9.9 |
0.578 |
14 |
0 |
0 |
1.000 |
| Average: |
1046.0 |
-8.3 |
0.669 |
15 |
0 |
0 |
1.000 |
| 12 |
22 |
|
R |
90 |
9 |
11578 |
◊ |
I |
x,y,z |
1_555 |
107 |
32 |
54480 |
889.7 |
-5.0 |
0.684 |
13 |
0 |
0 |
0.219 |
23 |
|
O |
88 |
9 |
11581 |
◊ |
C |
x,y,z |
1_555 |
107 |
31 |
54334 |
889.0 |
-4.7 |
0.689 |
10 |
0 |
0 |
0.219 |
| Average: |
889.3 |
-4.9 |
0.686 |
12 |
0 |
0 |
0.219 |
| 13 |
24 |
|
P |
97 |
15 |
11508 |
◊ |
C |
x,y,z |
1_555 |
92 |
32 |
54334 |
802.2 |
-7.4 |
0.656 |
9 |
0 |
0 |
0.091 |
25 |
|
S |
61 |
10 |
10212 |
◊ |
I |
x,y,z |
1_555 |
59 |
21 |
54480 |
524.7 |
-10.1 |
0.417 |
7 |
0 |
0 |
0.091 |
| Average: |
663.5 |
-8.8 |
0.537 |
8 |
0 |
0 |
0.091 |
| 14 |
26 |
|
D |
70 |
23 |
76433 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
68 |
23 |
76433 |
733.3 |
0.5 |
0.674 |
10 |
6 |
0 |
0.000 |
| 15 |
27 |
|
P |
95 |
12 |
11508 |
◊ |
D |
x,y,z |
1_555 |
79 |
28 |
76433 |
732.2 |
-6.9 |
0.642 |
12 |
0 |
0 |
0.074 |
28 |
|
S |
83 |
10 |
10212 |
◊ |
J |
x,y,z |
1_555 |
80 |
27 |
70195 |
690.9 |
-7.7 |
0.606 |
12 |
0 |
0 |
0.074 |
| Average: |
711.6 |
-7.3 |
0.624 |
12 |
0 |
0 |
0.074 |
| 16 |
29 |
|
Q |
33 |
4 |
1159 |
◊ |
C |
x,y,z |
1_555 |
45 |
18 |
54334 |
372.1 |
-7.0 |
0.407 |
7 |
0 |
0 |
0.036 |
30 |
|
T |
31 |
4 |
1158 |
◊ |
I |
x,y,z |
1_555 |
45 |
18 |
54480 |
369.6 |
-7.3 |
0.378 |
7 |
0 |
0 |
0.036 |
| Average: |
370.8 |
-7.2 |
0.393 |
7 |
0 |
0 |
0.036 |
| 17 |
31 |
|
O |
49 |
10 |
11581 |
◊ |
D |
x,y,z |
1_555 |
41 |
14 |
76433 |
357.4 |
-5.9 |
0.495 |
5 |
0 |
0 |
0.045 |
32 |
|
R |
49 |
10 |
11578 |
◊ |
J |
x,y,z |
1_555 |
41 |
14 |
70195 |
352.7 |
-6.0 |
0.493 |
5 |
0 |
0 |
0.045 |
| Average: |
355.1 |
-6.0 |
0.494 |
5 |
0 |
0 |
0.045 |
| 18 |
33 |
|
J |
31 |
9 |
70195 |
◊ |
H |
-y+1/2,x+1/2,z-1/4 |
3_554 |
38 |
11 |
13473 |
335.0 |
-1.7 |
0.450 |
5 |
3 |
0 |
0.000 |
34 |
|
B |
34 |
11 |
13489 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
32 |
10 |
76433 |
287.5 |
-1.9 |
0.382 |
4 |
3 |
0 |
0.000 |
| Average: |
311.3 |
-1.8 |
0.416 |
5 |
3 |
0 |
0.000 |
| 19 |
35 |
|
A |
35 |
9 |
13366 |
◊ |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
35 |
10 |
76433 |
314.0 |
0.5 |
0.641 |
6 |
2 |
0 |
0.000 |
| 20 |
36 |
|
C |
30 |
10 |
54334 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
13489 |
272.8 |
1.2 |
0.775 |
4 |
4 |
0 |
0.022 |
37 |
|
I |
30 |
10 |
54480 |
◊ |
H |
x,y,z |
1_555 |
35 |
11 |
13473 |
271.6 |
1.2 |
0.777 |
4 |
4 |
0 |
0.022 |
| Average: |
272.2 |
1.2 |
0.776 |
4 |
4 |
0 |
0.022 |
| 21 |
38 |
|
T |
25 |
4 |
1158 |
◊ |
S |
x,y,z |
1_555 |
25 |
6 |
10212 |
227.7 |
-0.6 |
0.766 |
7 |
0 |
0 |
0.013 |
39 |
|
Q |
27 |
4 |
1159 |
◊ |
P |
x,y,z |
1_555 |
25 |
6 |
11508 |
225.6 |
-0.6 |
0.753 |
7 |
0 |
0 |
0.013 |
| Average: |
226.6 |
-0.6 |
0.760 |
7 |
0 |
0 |
0.013 |
| 22 |
40 |
|
Q |
15 |
2 |
1159 |
◊ |
D |
x,y,z |
1_555 |
27 |
9 |
76433 |
181.2 |
-0.6 |
0.681 |
1 |
0 |
0 |
0.004 |
41 |
|
T |
15 |
2 |
1158 |
◊ |
J |
x,y,z |
1_555 |
27 |
9 |
70195 |
180.5 |
-0.7 |
0.682 |
1 |
0 |
0 |
0.004 |
| Average: |
180.8 |
-0.7 |
0.681 |
1 |
0 |
0 |
0.004 |
| 23 |
42 |
|
S |
17 |
2 |
10212 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
18 |
5 |
24595 |
129.5 |
-0.3 |
0.660 |
1 |
0 |
0 |
0.000 |
| 24 |
43 |
|
I |
14 |
3 |
54480 |
◊ |
C |
-y+1/2,x+1/2,z-1/4 |
3_554 |
14 |
3 |
54334 |
126.2 |
0.6 |
0.726 |
1 |
1 |
0 |
0.000 |
| 25 |
44 |
|
K |
14 |
4 |
7254 |
◊ |
I |
x,y,z |
1_555 |
18 |
7 |
54480 |
123.9 |
-0.4 |
0.582 |
1 |
0 |
0 |
0.004 |
45 |
|
E |
13 |
4 |
7256 |
◊ |
C |
x,y,z |
1_555 |
18 |
7 |
54334 |
117.9 |
-0.4 |
0.568 |
1 |
0 |
0 |
0.004 |
| Average: |
120.9 |
-0.4 |
0.575 |
1 |
0 |
0 |
0.004 |
| 26 |
46 |
|
D |
8 |
3 |
76433 |
◊ |
H |
x,y,z |
1_555 |
11 |
4 |
13473 |
105.1 |
-3.1 |
0.062 |
0 |
0 |
0 |
0.009 |
47 |
|
J |
5 |
2 |
70195 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
13489 |
75.6 |
-2.2 |
0.083 |
0 |
0 |
0 |
0.009 |
| Average: |
90.3 |
-2.6 |
0.073 |
0 |
0 |
0 |
0.009 |
| 27 |
48 |
|
T |
15 |
1 |
1158 |
◊ |
L |
x,y,z |
1_555 |
11 |
3 |
24595 |
91.3 |
0.2 |
0.678 |
1 |
0 |
0 |
0.000 |
49 |
|
Q |
15 |
1 |
1159 |
◊ |
F |
x,y,z |
1_555 |
10 |
2 |
24658 |
89.0 |
0.2 |
0.690 |
1 |
0 |
0 |
0.000 |
| Average: |
90.2 |
0.2 |
0.684 |
1 |
0 |
0 |
0.001 |
| 28 |
50 |
|
S |
12 |
1 |
10212 |
◊ |
R |
-y+1,-x+1,-z+1/2 |
8_665 |
10 |
1 |
11578 |
75.1 |
2.3 |
0.825 |
0 |
0 |
0 |
0.000 |
| 29 |
51 |
|
D |
8 |
2 |
76433 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
13366 |
68.8 |
1.1 |
0.684 |
0 |
0 |
0 |
0.000 |
52 |
|
J |
8 |
2 |
70195 |
◊ |
G |
x,y,z |
1_555 |
7 |
1 |
13373 |
67.5 |
1.1 |
0.688 |
0 |
0 |
0 |
0.000 |
| Average: |
68.1 |
1.1 |
0.686 |
0 |
0 |
0 |
0.000 |
| 30 |
53 |
|
R |
11 |
2 |
11578 |
◊ |
R |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
2 |
11578 |
64.7 |
1.0 |
0.734 |
0 |
0 |
0 |
0.000 |
| 31 |
54 |
|
K |
2 |
1 |
7254 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
13473 |
58.7 |
-1.2 |
0.094 |
0 |
0 |
0 |
0.004 |
55 |
|
E |
2 |
1 |
7256 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
13489 |
58.3 |
-1.2 |
0.096 |
0 |
0 |
0 |
0.004 |
| Average: |
58.5 |
-1.2 |
0.095 |
0 |
0 |
0 |
0.004 |
| 32 |
56 |
|
F |
5 |
3 |
24658 |
◊ |
F |
-y,-x,-z+1/2 |
8_555 |
5 |
3 |
24658 |
47.8 |
1.4 |
0.858 |
0 |
0 |
0 |
0.000 |
| 33 |
57 |
|
[MG]D:2003 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
76433 |
38.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.152 |
58 |
|
[MG]J:2003 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
6 |
3 |
70195 |
37.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.152 |
| Average: |
38.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.152 |
| 34 |
59 |
|
[MG]D:2003 |
1 |
1 |
98 |
◊ |
Q |
x,y,z |
1_555 |
3 |
1 |
1159 |
32.4 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.015 |
60 |
|
[MG]J:2003 |
1 |
1 |
98 |
◊ |
T |
x,y,z |
1_555 |
4 |
1 |
1158 |
31.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
32.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.015 |
| 35 |
61 |
|
O |
4 |
2 |
11581 |
◊ |
D |
-y,-x,-z+1/2 |
8_555 |
4 |
3 |
76433 |
31.5 |
-1.8 |
0.283 |
0 |
0 |
0 |
0.000 |
| 36 |
62 |
|
R |
2 |
1 |
11578 |
◊ |
L |
-y+1,-x+1,-z+1/2 |
8_665 |
1 |
1 |
24595 |
8.9 |
0.3 |
0.678 |
0 |
0 |
0 |
0.000 |
| 37 |
63 |
|
D |
1 |
1 |
76433 |
x |
D |
-y+1/2,x+1/2,z-1/4 |
3_554 |
1 |
1 |
76433 |
2.1 |
-0.1 |
0.445 |
0 |
0 |
0 |
0.000 |
|