| ## |
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 |
|
C |
88 |
17 |
17559 |
◊ |
B |
x,y,z |
1_555 |
79 |
13 |
12414 |
571.6 |
-0.6 |
0.996 |
12 |
0 |
0 |
0.006 |
| 2 |
2 |
|
C |
58 |
8 |
17559 |
◊ |
A |
x,y,z |
1_555 |
38 |
15 |
4273 |
438.9 |
-12.5 |
0.428 |
5 |
0 |
0 |
0.024 |
| 3 |
3 |
|
C |
40 |
9 |
17559 |
x |
C |
y,x-1,-z |
6_545 |
42 |
5 |
17559 |
313.7 |
-3.7 |
0.923 |
4 |
0 |
0 |
0.000 |
| 4 |
4 |
|
C |
34 |
7 |
17559 |
◊ |
B |
y,x,-z |
6_555 |
24 |
5 |
12414 |
267.5 |
-2.1 |
0.889 |
2 |
0 |
0 |
0.003 |
| 5 |
5 |
|
B |
34 |
11 |
12414 |
◊ |
B |
y,x,-z |
6_555 |
34 |
11 |
12414 |
220.7 |
-9.5 |
0.689 |
0 |
0 |
0 |
0.012 |
| 6 |
6 |
|
[SR]C:205 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
17559 |
132.4 |
-34.4 |
0.000 |
0 |
0 |
0 |
0.057 |
| 7 |
7 |
|
[SR]C:207 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
29 |
7 |
17559 |
126.5 |
-28.5 |
0.000 |
0 |
0 |
0 |
0.047 |
| 8 |
8 |
|
[SR]B:110 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
19 |
5 |
12414 |
125.3 |
-31.8 |
0.000 |
0 |
0 |
0 |
0.078 |
| 9 |
9 |
|
[SR]B:102 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
12414 |
118.7 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.073 |
| 10 |
10 |
|
[SR]C:212 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
17559 |
117.3 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 11 |
11 |
|
[SR]C:220 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
17559 |
114.5 |
-33.7 |
0.000 |
0 |
0 |
0 |
0.055 |
| 12 |
12 |
|
[SR]C:218 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
17559 |
114.2 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.045 |
| 13 |
13 |
|
[SR]B:115 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
12414 |
112.9 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.076 |
| 14 |
14 |
|
[SR]C:213 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
17559 |
112.6 |
-27.6 |
0.000 |
0 |
0 |
0 |
0.045 |
| 15 |
15 |
|
[SR]C:210 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
17559 |
110.8 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.046 |
| 16 |
16 |
|
[SR]C:203 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
17559 |
108.6 |
-28.2 |
0.000 |
0 |
0 |
0 |
0.090 |
17 |
|
[SR]C:214 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
17559 |
100.8 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.090 |
| Average: |
104.7 |
-27.5 |
0.000 |
0 |
0 |
0 |
0.090 |
| 17 |
18 |
|
C |
21 |
9 |
17559 |
◊ |
[SR]C:221 |
y,x-1,-z |
6_545 |
1 |
1 |
206 |
108.0 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.000 |
19 |
|
C |
22 |
9 |
17559 |
◊ |
[SR]C:202 |
y,x-1,-z |
6_545 |
1 |
1 |
206 |
104.5 |
-24.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
106.2 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 18 |
20 |
|
[SR]B:111 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
12414 |
107.0 |
-30.0 |
0.000 |
0 |
0 |
0 |
0.074 |
| 19 |
21 |
|
[SR]C:204 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
17559 |
106.3 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.049 |
| 20 |
22 |
|
[SR]C:201 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
17559 |
105.5 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.048 |
| 21 |
23 |
|
[SR]C:209 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
17559 |
105.3 |
-28.3 |
0.000 |
0 |
0 |
0 |
0.047 |
| 22 |
24 |
|
C |
21 |
3 |
17559 |
◊ |
B |
x,y-1,z |
1_545 |
19 |
2 |
12414 |
101.3 |
2.4 |
0.961 |
0 |
0 |
0 |
0.000 |
| 23 |
25 |
|
[SR]B:109 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12414 |
100.4 |
-24.4 |
0.000 |
0 |
0 |
0 |
0.060 |
| 24 |
26 |
|
[SR]B:112 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12414 |
99.0 |
-24.8 |
0.000 |
0 |
0 |
0 |
0.115 |
27 |
|
[SR]B:104 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
12414 |
88.6 |
-22.2 |
0.000 |
0 |
0 |
0 |
0.115 |
| Average: |
93.8 |
-23.5 |
0.000 |
0 |
0 |
0 |
0.115 |
| 25 |
28 |
|
[SR]C:206 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
17559 |
92.8 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.043 |
| 26 |
29 |
|
[SR]B:103 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12414 |
92.6 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.058 |
| 27 |
30 |
|
[SR]B:108 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
20 |
7 |
12414 |
91.6 |
-24.3 |
0.000 |
0 |
0 |
0 |
0.060 |
| 28 |
31 |
|
[SR]B:105 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
19 |
6 |
12414 |
89.4 |
-22.7 |
0.000 |
0 |
0 |
0 |
0.056 |
| 29 |
32 |
|
[SR]C:208 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
17559 |
88.3 |
-23.7 |
0.000 |
0 |
0 |
0 |
0.039 |
| 30 |
33 |
|
[SR]B:106 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
12414 |
86.6 |
-22.6 |
0.000 |
0 |
0 |
0 |
0.056 |
| 31 |
34 |
|
[SR]C:217 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
17559 |
84.3 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.033 |
| 32 |
35 |
|
[SR]C:211 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
15 |
3 |
17559 |
84.0 |
-21.7 |
0.000 |
0 |
0 |
0 |
0.036 |
| 33 |
36 |
|
[SR]B:107 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
12414 |
78.9 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.048 |
| 34 |
37 |
|
[SR]C:219 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
9 |
2 |
17559 |
78.4 |
-20.5 |
0.000 |
0 |
0 |
0 |
0.034 |
| 35 |
38 |
|
[SR]C:215 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
17559 |
71.7 |
-17.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 36 |
39 |
|
[SR]B:112 |
1 |
1 |
206 |
f |
[SR]B:104 |
x,y,z |
1_555 |
1 |
1 |
206 |
69.2 |
-27.7 |
0.000 |
0 |
0 |
0 |
0.068 |
| 37 |
40 |
|
[SR]C:214 |
1 |
1 |
206 |
f |
[SR]C:203 |
x,y,z |
1_555 |
1 |
1 |
206 |
61.4 |
-24.5 |
0.000 |
0 |
0 |
0 |
0.040 |
| 38 |
41 |
|
[SR]B:101 |
1 |
1 |
206 |
x |
B |
x,y,z |
1_555 |
8 |
4 |
12414 |
59.2 |
-14.1 |
0.000 |
0 |
0 |
0 |
0.035 |
| 39 |
42 |
|
[SR]C:216 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
9 |
4 |
17559 |
53.7 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.020 |
| 40 |
43 |
|
[SR]B:113 |
1 |
1 |
206 |
f |
B |
x,y,z |
1_555 |
7 |
2 |
12414 |
53.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 41 |
44 |
|
[SR]B:114 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
10 |
3 |
17559 |
51.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.018 |
| 42 |
45 |
|
[SR]B:111 |
1 |
1 |
206 |
f |
[SR]B:105 |
x,y,z |
1_555 |
1 |
1 |
206 |
49.6 |
-19.8 |
0.000 |
0 |
0 |
0 |
0.049 |
| 43 |
46 |
|
[SR]C:221 |
1 |
1 |
206 |
f |
[SR]C:202 |
x,y,z |
1_555 |
1 |
1 |
206 |
48.9 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.032 |
| 44 |
47 |
|
C |
8 |
3 |
17559 |
◊ |
[SR]C:215 |
-y-1/2,x-1/2,z-1/4 |
2_444 |
1 |
1 |
206 |
46.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 45 |
48 |
|
[SR]B:114 |
1 |
1 |
206 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12414 |
46.3 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.011 |
| 46 |
49 |
|
[SR]C:221 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
5 |
1 |
17559 |
44.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.028 |
50 |
|
[SR]C:202 |
1 |
1 |
206 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
17559 |
39.7 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.028 |
| Average: |
42.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.028 |
| 47 |
51 |
|
C |
6 |
3 |
17559 |
◊ |
B |
y,x-1,-z |
6_545 |
7 |
3 |
12414 |
43.8 |
-0.4 |
0.692 |
0 |
0 |
0 |
0.000 |
| 48 |
52 |
|
[SR]B:113 |
1 |
1 |
206 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17559 |
43.7 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.010 |
| 49 |
53 |
|
[SR]B:108 |
1 |
1 |
206 |
f |
[SR]B:104 |
x,y,z |
1_555 |
1 |
1 |
206 |
41.5 |
-16.6 |
0.000 |
0 |
0 |
0 |
0.041 |
| 50 |
54 |
|
[SR]C:206 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
4273 |
40.9 |
-8.5 |
0.000 |
0 |
0 |
0 |
0.014 |
| 51 |
55 |
|
C |
5 |
2 |
17559 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
2_544 |
2 |
1 |
4273 |
39.8 |
-1.0 |
0.266 |
0 |
0 |
0 |
0.000 |
| 52 |
56 |
|
A |
4 |
2 |
4273 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
4 |
2 |
4273 |
37.7 |
0.2 |
0.804 |
0 |
0 |
0 |
0.000 |
| 53 |
57 |
|
[SR]C:212 |
1 |
1 |
206 |
f |
[SR]C:201 |
x,y,z |
1_555 |
1 |
1 |
206 |
30.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.020 |
| 54 |
58 |
|
[SR]C:212 |
1 |
1 |
206 |
◊ |
[SR]C:202 |
y,x-1,-z |
6_545 |
1 |
1 |
206 |
17.3 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 55 |
59 |
|
[SR]B:112 |
1 |
1 |
206 |
f |
[SR]B:108 |
x,y,z |
1_555 |
1 |
1 |
206 |
16.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.016 |
| 56 |
60 |
|
B |
4 |
1 |
12414 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
2_544 |
1 |
1 |
4273 |
15.8 |
-0.6 |
0.319 |
0 |
0 |
0 |
0.000 |
| 57 |
61 |
|
[SR]C:213 |
1 |
1 |
206 |
f |
[SR]C:205 |
x,y,z |
1_555 |
1 |
1 |
206 |
13.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.009 |
| 58 |
62 |
|
C |
3 |
1 |
17559 |
◊ |
[SR]B:107 |
x,y-1,z |
1_545 |
1 |
1 |
206 |
11.0 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
| 59 |
63 |
|
C |
4 |
1 |
17559 |
x |
C |
-y-1/2,x-1/2,z-1/4 |
2_444 |
2 |
1 |
17559 |
8.7 |
-0.2 |
0.597 |
0 |
0 |
0 |
0.000 |
| 60 |
64 |
|
[SR]C:212 |
1 |
1 |
206 |
◊ |
[SR]C:221 |
y,x-1,-z |
6_545 |
1 |
1 |
206 |
8.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 61 |
65 |
|
[SR]C:219 |
1 |
1 |
206 |
f |
[SR]C:201 |
x,y,z |
1_555 |
1 |
1 |
206 |
5.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.003 |
| 62 |
66 |
|
[SR]C:221 |
1 |
1 |
206 |
◊ |
B |
y,x,-z |
6_555 |
2 |
1 |
12414 |
4.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[SR]C:202 |
1 |
1 |
206 |
◊ |
B |
y,x,-z |
6_555 |
2 |
1 |
12414 |
1.8 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
3.3 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
| 63 |
68 |
|
[SR]C:220 |
1 |
1 |
206 |
f |
[SR]B:114 |
x,y,z |
1_555 |
1 |
1 |
206 |
1.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.001 |
| 64 |
69 |
|
[SR]C:211 |
1 |
1 |
206 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4273 |
1.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
|