## |
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 |
|
K |
294 |
77 |
15000 |
◊ |
J |
x,y,z |
1_555 |
325 |
87 |
14321 |
3028.6 |
-35.8 |
0.408 |
40 |
9 |
0 |
1.000 |
2 |
|
B |
280 |
72 |
15243 |
◊ |
A |
x,y,z |
1_555 |
306 |
81 |
14335 |
2971.2 |
-35.2 |
0.353 |
39 |
8 |
0 |
1.000 |
3 |
|
H |
271 |
70 |
15074 |
◊ |
G |
x,y,z |
1_555 |
317 |
81 |
14456 |
2955.8 |
-33.8 |
0.473 |
40 |
6 |
0 |
1.000 |
4 |
|
E |
281 |
72 |
15104 |
◊ |
D |
x,y,z |
1_555 |
312 |
81 |
14420 |
2949.7 |
-35.7 |
0.376 |
39 |
9 |
0 |
1.000 |
5 |
|
N |
287 |
74 |
15048 |
◊ |
M |
x,y,z |
1_555 |
309 |
82 |
14298 |
2924.8 |
-34.1 |
0.439 |
37 |
7 |
0 |
1.000 |
Average: |
2966.0 |
-34.9 |
0.410 |
39 |
8 |
0 |
1.000 |
2 |
6 |
|
F |
195 |
53 |
12237 |
◊ |
D |
x,y,z |
1_555 |
199 |
47 |
14420 |
1841.8 |
-21.2 |
0.268 |
23 |
1 |
0 |
1.000 |
7 |
|
C |
197 |
52 |
12261 |
◊ |
A |
x,y,z |
1_555 |
199 |
48 |
14335 |
1833.6 |
-19.2 |
0.314 |
21 |
1 |
0 |
1.000 |
8 |
|
L |
194 |
53 |
12348 |
◊ |
J |
x,y,z |
1_555 |
194 |
47 |
14321 |
1830.6 |
-21.2 |
0.221 |
25 |
1 |
0 |
1.000 |
9 |
|
O |
196 |
52 |
12386 |
◊ |
M |
x,y,z |
1_555 |
196 |
47 |
14298 |
1822.9 |
-18.2 |
0.394 |
25 |
1 |
0 |
1.000 |
10 |
|
I |
191 |
51 |
12176 |
◊ |
G |
x,y,z |
1_555 |
184 |
43 |
14456 |
1794.4 |
-20.0 |
0.278 |
26 |
1 |
0 |
1.000 |
Average: |
1824.7 |
-19.9 |
0.295 |
24 |
1 |
0 |
1.000 |
3 |
11 |
|
O |
166 |
41 |
12386 |
◊ |
N |
x,y,z |
1_555 |
153 |
45 |
15048 |
1594.3 |
-20.7 |
0.306 |
21 |
2 |
0 |
1.000 |
12 |
|
C |
169 |
40 |
12261 |
◊ |
B |
x,y,z |
1_555 |
151 |
45 |
15243 |
1551.8 |
-19.4 |
0.342 |
20 |
2 |
0 |
1.000 |
13 |
|
L |
174 |
41 |
12348 |
◊ |
K |
x,y,z |
1_555 |
157 |
47 |
15000 |
1551.7 |
-20.2 |
0.294 |
17 |
2 |
0 |
1.000 |
14 |
|
I |
162 |
40 |
12176 |
◊ |
H |
x,y,z |
1_555 |
154 |
46 |
15074 |
1545.8 |
-20.0 |
0.345 |
17 |
2 |
0 |
1.000 |
15 |
|
F |
163 |
40 |
12237 |
◊ |
E |
x,y,z |
1_555 |
148 |
44 |
15104 |
1545.5 |
-20.1 |
0.279 |
17 |
2 |
0 |
1.000 |
Average: |
1557.8 |
-20.1 |
0.313 |
18 |
2 |
0 |
1.000 |
4 |
16 |
|
B |
112 |
33 |
15243 |
◊ |
C |
-z,-x,y |
7_555 |
123 |
36 |
12261 |
1213.2 |
-15.2 |
0.377 |
17 |
0 |
0 |
1.000 |
17 |
|
O |
124 |
36 |
12386 |
◊ |
H |
-z,-x,y |
7_555 |
111 |
33 |
15074 |
1193.1 |
-14.5 |
0.434 |
17 |
0 |
0 |
1.000 |
18 |
|
I |
120 |
36 |
12176 |
◊ |
E |
x,-y,-z |
4_555 |
106 |
31 |
15104 |
1176.0 |
-14.6 |
0.375 |
18 |
0 |
0 |
1.000 |
19 |
|
L |
114 |
34 |
12348 |
◊ |
K |
z,-x,-y |
6_555 |
108 |
32 |
15000 |
1175.3 |
-14.9 |
0.346 |
17 |
2 |
0 |
1.000 |
20 |
|
N |
102 |
30 |
15048 |
◊ |
F |
z,-x,-y |
6_555 |
115 |
36 |
12237 |
1170.6 |
-14.7 |
0.354 |
15 |
0 |
0 |
1.000 |
Average: |
1185.6 |
-14.8 |
0.377 |
17 |
0 |
0 |
1.000 |
5 |
21 |
|
B |
89 |
24 |
15243 |
◊ |
M |
x,y,z |
1_555 |
95 |
29 |
14298 |
843.6 |
-9.2 |
0.494 |
9 |
0 |
0 |
1.000 |
22 |
|
H |
88 |
24 |
15074 |
◊ |
A |
x,y,z |
1_555 |
97 |
30 |
14335 |
839.4 |
-9.9 |
0.487 |
10 |
0 |
0 |
1.000 |
23 |
|
E |
86 |
24 |
15104 |
◊ |
G |
x,y,z |
1_555 |
90 |
28 |
14456 |
826.0 |
-9.3 |
0.487 |
10 |
0 |
0 |
1.000 |
24 |
|
N |
84 |
24 |
15048 |
◊ |
J |
x,y,z |
1_555 |
97 |
28 |
14321 |
802.9 |
-9.4 |
0.499 |
10 |
0 |
0 |
1.000 |
25 |
|
K |
85 |
24 |
15000 |
◊ |
D |
x,y,z |
1_555 |
90 |
27 |
14420 |
799.9 |
-9.5 |
0.463 |
9 |
0 |
0 |
1.000 |
Average: |
822.3 |
-9.5 |
0.486 |
10 |
0 |
0 |
1.000 |
6 |
26 |
|
G |
83 |
23 |
14456 |
◊ |
D |
x,y,z |
1_555 |
77 |
27 |
14420 |
780.7 |
-6.6 |
0.548 |
11 |
1 |
0 |
0.119 |
27 |
|
G |
76 |
26 |
14456 |
◊ |
A |
x,y,z |
1_555 |
82 |
23 |
14335 |
755.0 |
-5.5 |
0.609 |
11 |
2 |
0 |
0.119 |
28 |
|
J |
79 |
26 |
14321 |
◊ |
D |
x,y,z |
1_555 |
83 |
22 |
14420 |
754.7 |
-5.8 |
0.596 |
11 |
2 |
0 |
0.119 |
29 |
|
M |
80 |
25 |
14298 |
◊ |
J |
x,y,z |
1_555 |
81 |
23 |
14321 |
748.0 |
-5.6 |
0.600 |
10 |
2 |
0 |
0.119 |
30 |
|
M |
82 |
23 |
14298 |
◊ |
A |
x,y,z |
1_555 |
79 |
25 |
14335 |
736.7 |
-6.2 |
0.561 |
9 |
2 |
0 |
0.119 |
Average: |
755.0 |
-5.9 |
0.583 |
10 |
2 |
0 |
0.119 |
7 |
31 |
|
N |
73 |
18 |
15048 |
◊ |
K |
x,y,z |
1_555 |
92 |
26 |
15000 |
707.5 |
-6.8 |
0.742 |
8 |
2 |
0 |
0.227 |
32 |
|
H |
86 |
27 |
15074 |
◊ |
E |
x,y,z |
1_555 |
72 |
18 |
15104 |
704.2 |
-7.2 |
0.707 |
7 |
2 |
0 |
0.227 |
33 |
|
H |
75 |
18 |
15074 |
◊ |
B |
x,y,z |
1_555 |
87 |
28 |
15243 |
703.4 |
-7.1 |
0.692 |
7 |
1 |
0 |
0.227 |
34 |
|
N |
89 |
26 |
15048 |
◊ |
B |
x,y,z |
1_555 |
74 |
19 |
15243 |
697.3 |
-7.3 |
0.703 |
8 |
0 |
0 |
0.227 |
35 |
|
K |
74 |
19 |
15000 |
◊ |
E |
x,y,z |
1_555 |
92 |
27 |
15104 |
688.6 |
-7.1 |
0.743 |
5 |
0 |
0 |
0.227 |
Average: |
700.2 |
-7.1 |
0.717 |
7 |
1 |
0 |
0.227 |
8 |
36 |
|
C |
43 |
10 |
12261 |
◊ |
H |
x,y,z |
1_555 |
50 |
19 |
15074 |
421.7 |
-6.8 |
0.372 |
0 |
0 |
0 |
0.136 |
37 |
|
O |
45 |
10 |
12386 |
◊ |
B |
x,y,z |
1_555 |
53 |
20 |
15243 |
416.5 |
-6.8 |
0.403 |
0 |
0 |
0 |
0.136 |
38 |
|
I |
43 |
9 |
12176 |
◊ |
E |
x,y,z |
1_555 |
45 |
18 |
15104 |
376.1 |
-5.3 |
0.480 |
0 |
0 |
0 |
0.136 |
39 |
|
L |
44 |
10 |
12348 |
◊ |
N |
x,y,z |
1_555 |
48 |
19 |
15048 |
372.8 |
-6.3 |
0.405 |
0 |
0 |
0 |
0.136 |
40 |
|
F |
45 |
10 |
12237 |
◊ |
K |
x,y,z |
1_555 |
49 |
19 |
15000 |
361.3 |
-5.7 |
0.472 |
0 |
0 |
0 |
0.136 |
Average: |
389.7 |
-6.2 |
0.426 |
0 |
0 |
0 |
0.136 |
9 |
41 |
|
H |
27 |
8 |
15074 |
◊ |
D |
x,y,z |
1_555 |
31 |
9 |
14420 |
235.4 |
-1.5 |
0.716 |
1 |
0 |
0 |
0.024 |
42 |
|
B |
29 |
8 |
15243 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
14456 |
235.1 |
-1.6 |
0.695 |
2 |
0 |
0 |
0.024 |
43 |
|
N |
27 |
8 |
15048 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
14335 |
224.7 |
-2.1 |
0.643 |
0 |
0 |
0 |
0.024 |
44 |
|
K |
26 |
8 |
15000 |
◊ |
M |
x,y,z |
1_555 |
27 |
9 |
14298 |
221.2 |
-1.8 |
0.660 |
1 |
0 |
0 |
0.024 |
45 |
|
E |
24 |
7 |
15104 |
◊ |
J |
x,y,z |
1_555 |
25 |
9 |
14321 |
213.2 |
-1.7 |
0.651 |
1 |
0 |
0 |
0.024 |
Average: |
225.9 |
-1.7 |
0.673 |
1 |
0 |
0 |
0.024 |
10 |
46 |
|
K |
19 |
7 |
15000 |
◊ |
K |
-z+1/2,-y-1/2,-x+1/2 |
24_545 |
19 |
7 |
15000 |
199.5 |
-1.9 |
0.622 |
3 |
0 |
0 |
0.011 |
11 |
47 |
|
C |
18 |
5 |
12261 |
◊ |
C |
z+1/2,-y-1/2,x-1/2 |
22_544 |
17 |
5 |
12261 |
155.0 |
0.7 |
0.827 |
0 |
0 |
0 |
0.000 |
12 |
48 |
|
L |
16 |
5 |
12348 |
◊ |
K |
-z+1/2,-y-1/2,-x+1/2 |
24_545 |
16 |
7 |
15000 |
138.7 |
0.6 |
0.852 |
0 |
0 |
0 |
0.000 |
13 |
49 |
|
O |
11 |
7 |
12386 |
◊ |
C |
-z,-x,y |
7_555 |
13 |
7 |
12261 |
108.8 |
1.3 |
0.827 |
1 |
0 |
0 |
0.000 |
50 |
|
I |
8 |
6 |
12176 |
◊ |
I |
x,-y,-z |
4_555 |
8 |
6 |
12176 |
50.0 |
0.3 |
0.763 |
0 |
0 |
0 |
0.000 |
51 |
|
L |
4 |
2 |
12348 |
◊ |
F |
z,-x,-y |
6_555 |
4 |
2 |
12237 |
29.1 |
0.7 |
0.850 |
0 |
0 |
0 |
0.000 |
Average: |
62.6 |
0.8 |
0.813 |
0 |
0 |
0 |
0.000 |
14 |
52 |
|
K |
12 |
7 |
15000 |
◊ |
H |
x,y,z |
1_555 |
13 |
7 |
15074 |
108.3 |
-0.7 |
0.606 |
0 |
0 |
0 |
0.012 |
53 |
|
E |
11 |
6 |
15104 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
15243 |
107.6 |
-0.6 |
0.634 |
0 |
0 |
0 |
0.012 |
54 |
|
K |
14 |
8 |
15000 |
◊ |
B |
x,y,z |
1_555 |
14 |
9 |
15243 |
102.4 |
-0.5 |
0.658 |
0 |
0 |
0 |
0.012 |
55 |
|
N |
12 |
7 |
15048 |
◊ |
E |
x,y,z |
1_555 |
13 |
7 |
15104 |
98.3 |
-0.6 |
0.635 |
0 |
0 |
0 |
0.012 |
56 |
|
N |
13 |
7 |
15048 |
◊ |
H |
x,y,z |
1_555 |
10 |
7 |
15074 |
95.5 |
-0.4 |
0.660 |
0 |
0 |
0 |
0.012 |
Average: |
102.4 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.012 |
15 |
57 |
|
L |
12 |
3 |
12348 |
◊ |
L |
-x+1/2,z-1/2,y+1/2 |
18_545 |
12 |
3 |
12348 |
100.3 |
-0.5 |
0.604 |
0 |
0 |
0 |
0.002 |
16 |
58 |
|
A |
10 |
3 |
14335 |
◊ |
A |
z+1/2,-y-1/2,x-1/2 |
22_544 |
10 |
3 |
14335 |
95.4 |
0.3 |
0.763 |
2 |
0 |
0 |
0.000 |
17 |
59 |
|
J |
9 |
3 |
14321 |
◊ |
J |
-z+1/2,-y-1/2,-x+1/2 |
24_545 |
9 |
3 |
14321 |
81.1 |
-1.6 |
0.344 |
0 |
0 |
0 |
0.005 |
18 |
60 |
|
L |
8 |
2 |
12348 |
◊ |
L |
-z+1/2,-y-1/2,-x+1/2 |
24_545 |
8 |
2 |
12348 |
74.2 |
1.0 |
0.862 |
2 |
0 |
0 |
0.000 |
19 |
61 |
|
K |
8 |
3 |
15000 |
◊ |
J |
-z+1/2,-y-1/2,-x+1/2 |
24_545 |
8 |
4 |
14321 |
60.2 |
-1.0 |
0.483 |
0 |
0 |
0 |
0.007 |
20 |
62 |
|
B |
4 |
2 |
15243 |
x |
B |
-z,-x,y |
7_555 |
7 |
3 |
15243 |
57.9 |
-1.7 |
0.219 |
0 |
0 |
0 |
0.032 |
63 |
|
K |
7 |
3 |
15000 |
x |
K |
z,-x,-y |
6_555 |
4 |
2 |
15000 |
55.2 |
-1.6 |
0.235 |
0 |
0 |
0 |
0.032 |
64 |
|
H |
7 |
3 |
15074 |
x |
E |
x,-y,-z |
4_555 |
3 |
2 |
15104 |
54.7 |
-1.6 |
0.201 |
0 |
0 |
0 |
0.032 |
65 |
|
N |
6 |
3 |
15048 |
x |
H |
-z,-x,y |
7_555 |
3 |
2 |
15074 |
52.5 |
-1.5 |
0.200 |
0 |
0 |
0 |
0.032 |
66 |
|
N |
5 |
2 |
15048 |
x |
E |
z,-x,-y |
6_555 |
4 |
2 |
15104 |
50.9 |
-1.4 |
0.249 |
0 |
0 |
0 |
0.032 |
Average: |
54.2 |
-1.6 |
0.221 |
0 |
0 |
0 |
0.032 |
21 |
67 |
|
C |
4 |
2 |
12261 |
◊ |
A |
z+1/2,-y-1/2,x-1/2 |
22_544 |
7 |
3 |
14335 |
54.7 |
-0.7 |
0.367 |
1 |
0 |
0 |
0.000 |
22 |
68 |
|
B |
4 |
1 |
15243 |
◊ |
B |
z+1/2,-y-1/2,x-1/2 |
22_544 |
4 |
1 |
15243 |
41.9 |
-1.3 |
0.278 |
0 |
0 |
0 |
0.000 |
23 |
69 |
|
L |
4 |
2 |
12348 |
◊ |
M |
x,y,z |
1_555 |
6 |
1 |
14298 |
39.9 |
0.4 |
0.707 |
1 |
0 |
0 |
0.000 |
70 |
|
C |
2 |
2 |
12261 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
14456 |
21.9 |
0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
71 |
|
F |
4 |
2 |
12237 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
14321 |
20.6 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
72 |
|
I |
3 |
2 |
12176 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
14420 |
10.8 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
73 |
|
O |
1 |
1 |
12386 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
14335 |
4.1 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
Average: |
19.4 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
24 |
74 |
|
I |
3 |
2 |
12176 |
x |
F |
x,-y,-z |
4_555 |
3 |
2 |
12237 |
37.8 |
-0.9 |
0.189 |
0 |
0 |
0 |
0.016 |
75 |
|
O |
5 |
3 |
12386 |
x |
I |
-z,-x,y |
7_555 |
4 |
3 |
12176 |
36.3 |
-0.8 |
0.325 |
0 |
0 |
0 |
0.016 |
76 |
|
C |
3 |
2 |
12261 |
x |
C |
-z,-x,y |
7_555 |
4 |
2 |
12261 |
35.7 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.016 |
77 |
|
O |
3 |
2 |
12386 |
x |
F |
z,-x,-y |
6_555 |
5 |
2 |
12237 |
34.2 |
-0.8 |
0.279 |
0 |
0 |
0 |
0.016 |
78 |
|
L |
5 |
3 |
12348 |
x |
L |
z,-x,-y |
6_555 |
4 |
3 |
12348 |
30.3 |
-0.7 |
0.372 |
0 |
0 |
0 |
0.016 |
Average: |
34.9 |
-0.8 |
0.289 |
0 |
0 |
0 |
0.016 |
25 |
79 |
|
C |
5 |
3 |
12261 |
◊ |
B |
z+1/2,-y-1/2,x-1/2 |
22_544 |
10 |
5 |
15243 |
30.1 |
0.4 |
0.804 |
0 |
0 |
0 |
0.000 |
26 |
80 |
|
N |
1 |
1 |
15048 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
14420 |
21.0 |
0.4 |
0.832 |
0 |
0 |
0 |
0.000 |
81 |
|
E |
1 |
1 |
15104 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
14335 |
19.5 |
0.4 |
0.837 |
0 |
0 |
0 |
0.000 |
82 |
|
B |
1 |
1 |
15243 |
◊ |
J |
x,y,z |
1_555 |
4 |
1 |
14321 |
18.7 |
0.3 |
0.806 |
0 |
0 |
0 |
0.000 |
83 |
|
H |
1 |
1 |
15074 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
14298 |
14.9 |
0.3 |
0.828 |
0 |
0 |
0 |
0.000 |
84 |
|
K |
1 |
1 |
15000 |
◊ |
G |
x,y,z |
1_555 |
5 |
1 |
14456 |
14.7 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
Average: |
17.8 |
0.3 |
0.811 |
0 |
0 |
0 |
0.000 |
27 |
85 |
|
B |
1 |
1 |
15243 |
◊ |
A |
z+1/2,-y-1/2,x-1/2 |
22_544 |
3 |
1 |
14335 |
11.1 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
28 |
86 |
|
K |
1 |
1 |
15000 |
◊ |
K |
y+1/2,x-1/2,-z+1/2 |
13_545 |
1 |
1 |
15000 |
9.8 |
-0.3 |
0.274 |
0 |
0 |
0 |
0.001 |
29 |
87 |
|
C |
1 |
1 |
12261 |
◊ |
B |
-x+1/2,-z-1/2,-y-1/2 |
19_544 |
1 |
1 |
15243 |
9.8 |
-0.0 |
0.485 |
0 |
0 |
0 |
0.000 |
|