| ## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
| NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
377 |
76 |
209997 |
◊ |
L |
x,y,z |
1_555 |
313 |
77 |
9213 |
3220.8 |
-62.8 |
0.773 |
67 |
0 |
0 |
0.036 |
2 |
|
A |
345 |
64 |
209997 |
◊ |
I |
x,y,z |
1_555 |
273 |
59 |
8298 |
2978.1 |
-52.5 |
0.791 |
65 |
0 |
0 |
0.033 |
3 |
|
A |
357 |
59 |
209997 |
◊ |
D |
x,y,z |
1_555 |
292 |
76 |
12098 |
2928.2 |
-49.4 |
0.812 |
76 |
0 |
0 |
0.033 |
4 |
|
A |
324 |
60 |
209997 |
◊ |
Q |
x,y,z |
1_555 |
268 |
58 |
7855 |
2709.4 |
-41.1 |
0.879 |
46 |
0 |
0 |
0.026 |
5 |
|
A |
302 |
60 |
209997 |
◊ |
T |
x,y,z |
1_555 |
236 |
60 |
7074 |
2535.1 |
-48.5 |
0.686 |
49 |
0 |
0 |
0.029 |
6 |
|
A |
283 |
52 |
209997 |
◊ |
P |
x,y,z |
1_555 |
244 |
55 |
5394 |
2461.5 |
-41.8 |
0.740 |
45 |
0 |
0 |
0.026 |
7 |
|
A |
256 |
43 |
209997 |
◊ |
M |
x,y,z |
1_555 |
225 |
55 |
9330 |
2297.6 |
-43.6 |
0.653 |
51 |
0 |
0 |
0.027 |
8 |
|
A |
241 |
42 |
209997 |
◊ |
E |
x,y,z |
1_555 |
186 |
55 |
8395 |
1977.7 |
-32.1 |
0.749 |
43 |
0 |
0 |
0.022 |
9 |
|
A |
249 |
47 |
209997 |
◊ |
N |
x,y,z |
1_555 |
165 |
37 |
5596 |
1880.2 |
-30.2 |
0.859 |
43 |
0 |
0 |
0.024 |
10 |
|
A |
231 |
44 |
209997 |
◊ |
H |
x,y,z |
1_555 |
191 |
51 |
8429 |
1852.5 |
-29.3 |
0.335 |
30 |
0 |
0 |
0.021 |
11 |
|
A |
231 |
46 |
209997 |
◊ |
J |
x,y,z |
1_555 |
171 |
44 |
7426 |
1847.1 |
-29.3 |
0.788 |
24 |
0 |
0 |
0.020 |
12 |
|
A |
225 |
42 |
209997 |
◊ |
G |
x,y,z |
1_555 |
175 |
46 |
10088 |
1844.9 |
-23.9 |
0.882 |
37 |
0 |
0 |
0.020 |
13 |
|
A |
207 |
41 |
209997 |
◊ |
O |
x,y,z |
1_555 |
184 |
44 |
6363 |
1791.5 |
-32.1 |
0.770 |
37 |
0 |
0 |
0.023 |
14 |
|
A |
214 |
39 |
209997 |
◊ |
K |
x,y,z |
1_555 |
163 |
41 |
7342 |
1787.8 |
-31.4 |
0.733 |
39 |
0 |
0 |
0.023 |
15 |
|
A |
206 |
41 |
209997 |
◊ |
C |
x,y,z |
1_555 |
175 |
45 |
11942 |
1750.7 |
-31.9 |
0.600 |
22 |
0 |
0 |
0.020 |
16 |
|
A |
211 |
41 |
209997 |
◊ |
S |
x,y,z |
1_555 |
151 |
27 |
5892 |
1608.0 |
-18.5 |
0.913 |
33 |
0 |
0 |
0.016 |
17 |
|
A |
147 |
32 |
209997 |
◊ |
U |
x,y,z |
1_555 |
112 |
22 |
2386 |
1279.4 |
-23.2 |
0.511 |
29 |
0 |
0 |
0.018 |
18 |
|
A |
167 |
28 |
209997 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
172 |
31 |
209997 |
1246.1 |
-24.3 |
0.973 |
11 |
0 |
0 |
0.000 |
19 |
|
R |
116 |
27 |
5522 |
◊ |
F |
x,y,z |
1_555 |
105 |
24 |
6811 |
1024.6 |
-6.4 |
0.170 |
17 |
6 |
0 |
0.007 |
20 |
|
A |
110 |
27 |
209997 |
◊ |
B |
x,y,z |
1_555 |
84 |
29 |
12221 |
906.1 |
-11.5 |
0.860 |
15 |
0 |
0 |
0.009 |
21 |
|
A |
97 |
20 |
209997 |
◊ |
R |
x,y,z |
1_555 |
81 |
20 |
5522 |
863.5 |
-20.8 |
0.421 |
19 |
0 |
0 |
0.014 |
22 |
|
N |
83 |
20 |
5596 |
◊ |
C |
x,y,z |
1_555 |
96 |
23 |
11942 |
818.4 |
-8.6 |
0.155 |
5 |
0 |
0 |
0.005 |
23 |
|
N |
87 |
17 |
5596 |
◊ |
J |
x,y,z |
1_555 |
93 |
19 |
7426 |
779.7 |
-7.8 |
0.294 |
9 |
4 |
0 |
0.006 |
24 |
|
H |
60 |
20 |
8429 |
◊ |
E |
x,y,z |
1_555 |
62 |
18 |
8395 |
576.3 |
-1.9 |
0.387 |
5 |
4 |
0 |
0.002 |
25 |
|
A |
64 |
13 |
209997 |
◊ |
F |
x,y,z |
1_555 |
66 |
19 |
6811 |
560.0 |
-7.5 |
0.749 |
14 |
0 |
0 |
0.007 |
26 |
|
[PAR]Z:1 |
37 |
1 |
748 |
f |
A |
x,y,z |
1_555 |
59 |
15 |
209997 |
451.4 |
-20.2 |
0.629 |
9 |
0 |
0 |
0.012 |
27 |
|
S |
45 |
11 |
5892 |
◊ |
M |
x,y,z |
1_555 |
38 |
11 |
9330 |
358.0 |
-2.5 |
0.437 |
2 |
0 |
0 |
0.000 |
28 |
|
J |
48 |
13 |
7426 |
◊ |
C |
x,y,z |
1_555 |
40 |
11 |
11942 |
356.5 |
-4.1 |
0.243 |
0 |
0 |
0 |
0.002 |
29 |
|
A |
49 |
11 |
209997 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
40 |
14 |
9330 |
342.7 |
-8.1 |
0.545 |
6 |
0 |
0 |
0.000 |
30 |
|
Y |
39 |
5 |
1160 |
◊ |
A |
x,y,z |
1_555 |
40 |
11 |
209997 |
332.1 |
-8.7 |
0.888 |
2 |
0 |
0 |
0.000 |
31 |
|
E |
33 |
10 |
8395 |
◊ |
E |
y,x,-z |
7_555 |
33 |
10 |
8395 |
328.1 |
4.6 |
0.862 |
4 |
0 |
0 |
0.000 |
32 |
|
X |
40 |
5 |
2093 |
◊ |
A |
x,y,z |
1_555 |
41 |
8 |
209997 |
326.2 |
-1.1 |
0.923 |
2 |
0 |
0 |
0.000 |
33 |
|
R |
32 |
8 |
5522 |
◊ |
K |
x,y,z |
1_555 |
36 |
13 |
7342 |
326.1 |
-2.8 |
0.369 |
4 |
1 |
0 |
0.002 |
34 |
|
B |
41 |
13 |
12221 |
◊ |
B |
y,x,-z |
7_555 |
40 |
12 |
12221 |
316.6 |
5.2 |
0.908 |
6 |
2 |
0 |
0.000 |
35 |
|
H |
27 |
8 |
8429 |
◊ |
B |
x,y,z |
1_555 |
33 |
9 |
12221 |
254.8 |
-1.8 |
0.362 |
4 |
2 |
0 |
0.002 |
36 |
|
H |
25 |
10 |
8429 |
◊ |
D |
y,x,-z |
7_555 |
29 |
12 |
12098 |
247.6 |
3.2 |
0.513 |
2 |
5 |
0 |
0.000 |
37 |
|
E |
31 |
12 |
8395 |
◊ |
D |
x,y,z |
1_555 |
28 |
9 |
12098 |
243.4 |
0.3 |
0.534 |
0 |
4 |
0 |
0.000 |
38 |
|
I |
25 |
7 |
8298 |
◊ |
G |
x,y,z |
1_555 |
22 |
7 |
10088 |
231.7 |
-3.7 |
0.152 |
1 |
0 |
0 |
0.000 |
39 |
|
Q |
21 |
5 |
7855 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
9213 |
200.9 |
-3.2 |
0.211 |
2 |
0 |
0 |
0.002 |
40 |
|
K |
23 |
8 |
7342 |
◊ |
G |
x,y,z |
1_555 |
25 |
8 |
10088 |
199.8 |
-2.1 |
0.340 |
1 |
0 |
0 |
0.001 |
41 |
|
Y |
24 |
4 |
1160 |
◊ |
X |
x,y,z |
1_555 |
23 |
4 |
2093 |
194.4 |
-0.3 |
0.924 |
8 |
0 |
0 |
0.000 |
42 |
|
K |
24 |
8 |
7342 |
◊ |
A |
x,y,z-1 |
1_554 |
21 |
2 |
209997 |
188.5 |
-1.2 |
0.700 |
2 |
0 |
0 |
0.000 |
43 |
|
J |
18 |
6 |
7426 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
18 |
6 |
7426 |
175.5 |
1.8 |
0.786 |
2 |
2 |
0 |
0.000 |
44 |
|
J |
26 |
8 |
7426 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
8298 |
165.5 |
-0.3 |
0.446 |
0 |
0 |
0 |
0.000 |
45 |
|
[K]Z:203 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
209997 |
140.9 |
-97.2 |
0.000 |
0 |
0 |
0 |
0.048 |
46 |
|
[K]Z:205 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
24 |
12 |
209997 |
136.5 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.049 |
47 |
|
[K]Z:202 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
209997 |
135.6 |
-89.5 |
0.000 |
0 |
0 |
0 |
0.044 |
48 |
|
Q |
17 |
5 |
7855 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8429 |
128.5 |
-1.2 |
0.402 |
0 |
0 |
0 |
0.000 |
49 |
|
[K]Z:196 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
209997 |
127.2 |
-77.9 |
0.000 |
0 |
0 |
0 |
0.038 |
50 |
|
[K]Z:200 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
209997 |
127.1 |
-75.4 |
0.000 |
0 |
0 |
0 |
0.037 |
51 |
|
[K]Z:217 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
209997 |
125.9 |
-81.4 |
0.000 |
0 |
0 |
0 |
0.040 |
52 |
|
[K]Z:204 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
4 |
209997 |
125.0 |
-77.1 |
0.000 |
0 |
0 |
0 |
0.038 |
53 |
|
[K]Z:214 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
8395 |
121.8 |
-88.9 |
0.000 |
0 |
0 |
0 |
0.070 |
54 |
|
[K]Z:197 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
209997 |
118.4 |
-73.5 |
0.000 |
0 |
0 |
0 |
0.036 |
55 |
|
[K]Z:199 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
4 |
209997 |
117.7 |
-79.5 |
0.000 |
0 |
0 |
0 |
0.039 |
56 |
|
[K]Z:198 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
10 |
209997 |
117.3 |
-76.7 |
0.000 |
0 |
0 |
0 |
0.038 |
57 |
|
[K]Z:213 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
7 |
209997 |
113.6 |
-71.3 |
0.000 |
0 |
0 |
0 |
0.035 |
58 |
|
[K]Z:207 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
209997 |
112.0 |
-71.9 |
0.000 |
0 |
0 |
0 |
0.035 |
59 |
|
[K]Z:206 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
209997 |
109.4 |
-72.8 |
0.000 |
0 |
0 |
0 |
0.036 |
60 |
|
[K]Z:215 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
209997 |
107.7 |
-67.4 |
0.000 |
0 |
0 |
0 |
0.033 |
61 |
|
[K]Z:211 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
209997 |
103.4 |
-70.5 |
0.000 |
0 |
0 |
0 |
0.035 |
62 |
|
[K]Z:194 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
209997 |
102.9 |
-71.1 |
0.000 |
0 |
0 |
0 |
0.035 |
63 |
|
[K]Z:195 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
8 |
209997 |
102.3 |
-66.8 |
0.000 |
0 |
0 |
0 |
0.033 |
64 |
|
[K]Z:218 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
7 |
209997 |
99.6 |
-63.8 |
0.000 |
0 |
0 |
0 |
0.031 |
65 |
|
A |
12 |
4 |
209997 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
9 |
2 |
8298 |
96.3 |
-3.6 |
0.382 |
1 |
0 |
0 |
0.000 |
66 |
|
[K]Z:201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
209997 |
95.5 |
-56.3 |
0.000 |
0 |
0 |
0 |
0.028 |
67 |
|
[K]Z:210 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
5 |
209997 |
95.5 |
-58.4 |
0.000 |
0 |
0 |
0 |
0.029 |
68 |
|
[K]Z:212 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
4 |
209997 |
91.1 |
-57.5 |
0.000 |
0 |
0 |
0 |
0.028 |
69 |
|
[K]Z:219 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
209997 |
84.8 |
-49.3 |
0.000 |
0 |
0 |
0 |
0.024 |
70 |
|
[K]Z:208 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
209997 |
80.5 |
-50.6 |
0.000 |
0 |
0 |
0 |
0.025 |
71 |
|
A |
13 |
2 |
209997 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
9 |
2 |
10088 |
78.7 |
-1.0 |
0.646 |
0 |
0 |
0 |
0.000 |
72 |
|
[K]Z:209 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
209997 |
73.6 |
-43.9 |
0.000 |
0 |
0 |
0 |
0.022 |
73 |
|
E |
9 |
3 |
8395 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
11942 |
71.7 |
0.7 |
0.673 |
0 |
1 |
0 |
0.000 |
74 |
|
[K]Z:210 |
1 |
1 |
216 |
◊ |
M |
x,y,z |
1_555 |
12 |
4 |
9330 |
69.9 |
-41.0 |
0.000 |
0 |
0 |
0 |
0.017 |
75 |
|
N |
14 |
3 |
5596 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8298 |
68.5 |
0.5 |
0.669 |
1 |
1 |
0 |
0.000 |
76 |
|
[K]Z:216 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
12 |
4 |
8395 |
67.9 |
-38.3 |
0.000 |
0 |
0 |
0 |
0.030 |
77 |
|
A |
7 |
2 |
209997 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
7 |
3 |
9330 |
64.2 |
-1.9 |
0.389 |
0 |
0 |
0 |
0.000 |
78 |
|
M |
3 |
1 |
9330 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8298 |
59.9 |
0.4 |
0.677 |
1 |
0 |
0 |
0.000 |
79 |
|
[K]Z:216 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
209997 |
59.4 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.014 |
80 |
|
L |
4 |
1 |
9213 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
8429 |
56.0 |
-1.1 |
0.225 |
0 |
0 |
0 |
0.000 |
81 |
|
[K]Z:209 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
10 |
3 |
7855 |
53.2 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.012 |
82 |
|
C |
4 |
2 |
11942 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12221 |
52.0 |
1.1 |
0.676 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
8 |
2 |
209997 |
◊ |
[K]Z:208 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
1 |
1 |
216 |
41.7 |
-21.8 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
Y |
6 |
2 |
1160 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
9213 |
40.4 |
-0.5 |
0.568 |
0 |
0 |
0 |
0.000 |
85 |
|
D |
3 |
1 |
12098 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11942 |
37.6 |
1.5 |
0.891 |
0 |
0 |
0 |
0.000 |
86 |
|
U |
3 |
3 |
2386 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
9330 |
36.6 |
0.2 |
0.540 |
0 |
0 |
0 |
0.000 |
87 |
|
[K]Z:207 |
1 |
1 |
216 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
9213 |
30.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.005 |
88 |
|
[K]Z:199 |
1 |
1 |
216 |
f |
[K]Z:194 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.9 |
-27.9 |
0.000 |
0 |
0 |
0 |
0.014 |
89 |
|
O |
2 |
1 |
6363 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
6811 |
24.5 |
0.4 |
0.470 |
0 |
0 |
0 |
0.000 |
90 |
|
[ZN]Z:221 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
209997 |
20.3 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.004 |
91 |
|
X |
4 |
2 |
2093 |
◊ |
M |
x,y,z |
1_555 |
5 |
3 |
9330 |
15.5 |
-0.8 |
0.520 |
0 |
0 |
0 |
0.000 |
92 |
|
[K]Z:203 |
1 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
8298 |
9.4 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.002 |
93 |
|
[K]Z:211 |
1 |
1 |
216 |
f |
[K]Z:195 |
x,y,z |
1_555 |
1 |
1 |
216 |
8.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.004 |
94 |
|
G |
1 |
1 |
10088 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
1 |
1 |
10088 |
8.1 |
0.2 |
0.781 |
0 |
0 |
0 |
0.000 |
95 |
|
[K]Z:208 |
1 |
1 |
216 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7342 |
7.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.002 |
96 |
|
E |
1 |
1 |
8395 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
12221 |
6.6 |
0.3 |
0.837 |
0 |
0 |
0 |
0.000 |
97 |
|
A |
1 |
1 |
209997 |
◊ |
D |
y,x,-z |
7_555 |
3 |
1 |
12098 |
4.8 |
-0.2 |
0.383 |
0 |
0 |
0 |
0.000 |
98 |
|
A |
1 |
1 |
209997 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
3_545 |
2 |
1 |
7342 |
3.2 |
-0.1 |
0.416 |
0 |
0 |
0 |
0.000 |
99 |
|
[K]Z:202 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
7855 |
2.6 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
100 |
|
A |
1 |
1 |
209997 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
209997 |
0.4 |
0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
|