## |
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 |
135 |
39 |
17416 |
◊ |
B |
x,y,z |
1_555 |
146 |
45 |
17308 |
1346.7 |
-5.0 |
0.589 |
19 |
7 |
0 |
0.231 |
2 |
|
C |
141 |
42 |
17329 |
◊ |
A |
x,y,z |
1_555 |
134 |
39 |
17379 |
1319.6 |
-5.4 |
0.627 |
18 |
6 |
0 |
0.231 |
Average: |
1333.2 |
-5.2 |
0.608 |
19 |
7 |
0 |
0.231 |
2 |
3 |
|
K |
95 |
17 |
3029 |
◊ |
C |
x,y,z |
1_555 |
145 |
46 |
17329 |
1186.2 |
-17.3 |
0.498 |
15 |
0 |
0 |
1.000 |
4 |
|
L |
94 |
16 |
3010 |
◊ |
B |
x,y,z |
1_555 |
144 |
48 |
17308 |
1168.2 |
-17.5 |
0.359 |
12 |
0 |
0 |
1.000 |
5 |
|
N |
83 |
15 |
2646 |
◊ |
D |
x,y,z |
1_555 |
132 |
41 |
17416 |
1071.4 |
-18.6 |
0.399 |
12 |
0 |
0 |
1.000 |
6 |
|
M |
82 |
14 |
2582 |
◊ |
A |
x,y,z |
1_555 |
134 |
38 |
17379 |
1048.5 |
-17.9 |
0.452 |
14 |
0 |
0 |
1.000 |
Average: |
1118.6 |
-17.8 |
0.427 |
13 |
0 |
0 |
1.000 |
3 |
7 |
|
D |
78 |
23 |
17416 |
◊ |
A |
x,y,z |
1_555 |
82 |
27 |
17379 |
760.9 |
-10.3 |
0.102 |
7 |
6 |
0 |
0.707 |
4 |
8 |
|
[SB4]C:401 |
25 |
1 |
526 |
f |
C |
x,y,z |
1_555 |
56 |
26 |
17329 |
386.3 |
-5.2 |
0.542 |
3 |
0 |
0 |
0.645 |
9 |
|
[SB4]B:401 |
25 |
1 |
532 |
f |
B |
x,y,z |
1_555 |
55 |
27 |
17308 |
385.0 |
-5.3 |
0.480 |
3 |
0 |
0 |
0.645 |
10 |
|
[SB4]A:401 |
23 |
1 |
529 |
f |
A |
x,y,z |
1_555 |
58 |
26 |
17379 |
384.6 |
-5.3 |
0.445 |
3 |
0 |
0 |
0.645 |
11 |
|
[SB4]D:401 |
25 |
1 |
534 |
f |
D |
x,y,z |
1_555 |
57 |
26 |
17416 |
384.1 |
-5.1 |
0.464 |
3 |
0 |
0 |
0.645 |
Average: |
385.0 |
-5.2 |
0.483 |
3 |
0 |
0 |
0.645 |
5 |
12 |
|
C |
31 |
11 |
17329 |
◊ |
D |
x-1,y,z |
1_455 |
39 |
13 |
17416 |
337.0 |
-3.9 |
0.209 |
1 |
0 |
0 |
0.000 |
6 |
13 |
|
A |
32 |
11 |
17379 |
◊ |
B |
-y,x,z+1/4 |
3_555 |
32 |
10 |
17308 |
290.9 |
-2.6 |
0.347 |
4 |
3 |
0 |
0.000 |
14 |
|
C |
19 |
8 |
17329 |
◊ |
D |
-y,x-1,z+1/4 |
3_545 |
20 |
7 |
17416 |
175.5 |
-2.1 |
0.363 |
2 |
4 |
0 |
0.000 |
Average: |
233.2 |
-2.3 |
0.355 |
3 |
4 |
0 |
0.000 |
7 |
15 |
|
K |
35 |
9 |
3029 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
30 |
10 |
17379 |
287.9 |
-2.9 |
0.623 |
4 |
0 |
0 |
0.000 |
8 |
16 |
|
A |
33 |
10 |
17379 |
x |
A |
-y,x,z+1/4 |
3_555 |
31 |
8 |
17379 |
282.7 |
-2.3 |
0.394 |
2 |
0 |
0 |
0.000 |
17 |
|
D |
31 |
8 |
17416 |
x |
D |
-y,x-1,z+1/4 |
3_545 |
32 |
9 |
17416 |
280.4 |
-2.0 |
0.422 |
3 |
0 |
0 |
0.000 |
Average: |
281.6 |
-2.2 |
0.408 |
3 |
0 |
0 |
0.000 |
9 |
18 |
|
D |
31 |
11 |
17416 |
◊ |
L |
-y,x-1,z+1/4 |
3_545 |
29 |
8 |
3010 |
268.7 |
-2.5 |
0.640 |
4 |
0 |
0 |
0.000 |
10 |
19 |
|
B |
25 |
10 |
17308 |
◊ |
C |
-x,-y-1,z-1/2 |
2_544 |
24 |
11 |
17329 |
211.4 |
-3.3 |
0.277 |
0 |
0 |
0 |
0.000 |
11 |
20 |
|
L |
17 |
4 |
3010 |
◊ |
D |
x,y,z |
1_555 |
16 |
7 |
17416 |
125.1 |
-1.3 |
0.635 |
1 |
0 |
0 |
0.048 |
21 |
|
K |
15 |
3 |
3029 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
17379 |
123.0 |
-1.2 |
0.631 |
1 |
0 |
0 |
0.048 |
22 |
|
M |
10 |
2 |
2582 |
◊ |
C |
x,y,z |
1_555 |
16 |
5 |
17329 |
119.4 |
-1.2 |
0.673 |
2 |
0 |
0 |
0.048 |
23 |
|
N |
9 |
2 |
2646 |
◊ |
B |
x,y,z |
1_555 |
11 |
4 |
17308 |
93.6 |
-1.3 |
0.601 |
0 |
0 |
0 |
0.048 |
Average: |
115.3 |
-1.2 |
0.635 |
1 |
0 |
0 |
0.048 |
12 |
24 |
|
[TLA]A:402 |
9 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
17379 |
121.1 |
2.0 |
0.774 |
5 |
0 |
0 |
0.013 |
13 |
25 |
|
C |
18 |
7 |
17329 |
◊ |
B |
-y-1,x-1,z+1/4 |
3_445 |
17 |
6 |
17308 |
119.1 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
14 |
26 |
|
[TLA]D:402 |
9 |
1 |
266 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
17416 |
118.4 |
-0.3 |
0.501 |
5 |
0 |
0 |
0.123 |
15 |
27 |
|
[EDO]A:405 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
17379 |
116.4 |
3.3 |
0.490 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]D:406 |
4 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
23 |
9 |
17416 |
113.0 |
3.2 |
0.492 |
2 |
0 |
0 |
0.000 |
Average: |
114.7 |
3.3 |
0.491 |
2 |
0 |
0 |
0.000 |
16 |
29 |
|
C |
12 |
4 |
17329 |
◊ |
B |
-y-1,x,z+1/4 |
3_455 |
16 |
6 |
17308 |
110.1 |
-1.7 |
0.346 |
0 |
0 |
0 |
0.000 |
17 |
30 |
|
[EDO]B:404 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
15 |
7 |
17308 |
100.0 |
3.2 |
0.480 |
2 |
0 |
0 |
0.000 |
18 |
31 |
|
C |
12 |
4 |
17329 |
◊ |
A |
-y,x,z+1/4 |
3_555 |
12 |
7 |
17379 |
98.2 |
0.4 |
0.702 |
0 |
0 |
0 |
0.000 |
19 |
32 |
|
[EDO]D:404 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
17416 |
96.6 |
2.7 |
0.429 |
1 |
0 |
0 |
0.000 |
20 |
33 |
|
[EDO]C:405 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
12 |
7 |
17329 |
94.7 |
2.1 |
0.252 |
2 |
0 |
0 |
0.000 |
21 |
34 |
|
[EDO]C:404 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
17329 |
94.6 |
2.3 |
0.455 |
2 |
0 |
0 |
0.000 |
22 |
35 |
|
[EDO]B:405 |
4 |
1 |
181 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
17308 |
92.4 |
2.4 |
0.263 |
2 |
0 |
0 |
0.000 |
23 |
36 |
|
[EDO]B:402 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
17308 |
91.1 |
2.7 |
0.285 |
2 |
0 |
0 |
0.000 |
24 |
37 |
|
D |
11 |
7 |
17416 |
◊ |
B |
-y,x-1,z+1/4 |
3_545 |
12 |
5 |
17308 |
91.1 |
0.2 |
0.662 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
[EDO]C:403 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
17329 |
90.1 |
2.6 |
0.297 |
2 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:403 |
4 |
1 |
183 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
17379 |
89.4 |
2.6 |
0.290 |
2 |
0 |
0 |
0.000 |
Average: |
89.8 |
2.6 |
0.294 |
2 |
0 |
0 |
0.000 |
26 |
40 |
|
[EDO]D:403 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
17416 |
89.3 |
2.6 |
0.284 |
2 |
0 |
0 |
0.000 |
27 |
41 |
|
[EDO]D:405 |
4 |
1 |
183 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
17416 |
84.7 |
1.8 |
0.428 |
1 |
0 |
0 |
0.000 |
28 |
42 |
|
N |
9 |
2 |
2646 |
◊ |
L |
-y,x-1,z+1/4 |
3_545 |
10 |
3 |
3010 |
81.8 |
0.4 |
0.892 |
1 |
0 |
0 |
0.000 |
29 |
43 |
|
[TLA]D:402 |
8 |
1 |
266 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
17379 |
80.1 |
1.5 |
0.723 |
6 |
0 |
0 |
0.059 |
30 |
44 |
|
[TLA]A:402 |
8 |
1 |
267 |
f |
D |
x,y,z |
1_555 |
12 |
4 |
17416 |
79.3 |
-0.3 |
0.448 |
6 |
0 |
0 |
0.148 |
31 |
45 |
|
B |
7 |
4 |
17308 |
◊ |
K |
-x,-y-1,z-1/2 |
2_544 |
5 |
2 |
3029 |
69.5 |
-0.6 |
0.521 |
1 |
0 |
0 |
0.000 |
46 |
|
L |
5 |
2 |
3010 |
◊ |
C |
-x,-y-1,z-1/2 |
2_544 |
6 |
4 |
17329 |
64.8 |
-0.5 |
0.522 |
1 |
0 |
0 |
0.000 |
Average: |
67.2 |
-0.6 |
0.522 |
1 |
0 |
0 |
0.000 |
32 |
47 |
|
[EDO]B:403 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
17308 |
69.1 |
2.1 |
0.285 |
2 |
0 |
0 |
0.000 |
33 |
48 |
|
[EDO]A:404 |
4 |
1 |
181 |
f |
A |
-y,x,z+1/4 |
3_555 |
9 |
3 |
17379 |
68.5 |
1.8 |
0.290 |
2 |
0 |
0 |
0.000 |
34 |
49 |
|
[EDO]B:403 |
4 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
5 |
3010 |
67.7 |
1.7 |
0.886 |
1 |
0 |
0 |
0.000 |
35 |
50 |
|
[EDO]C:402 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
17329 |
64.0 |
1.0 |
0.718 |
2 |
0 |
0 |
0.000 |
36 |
51 |
|
[EDO]C:403 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
17379 |
63.6 |
2.3 |
0.296 |
0 |
0 |
0 |
0.000 |
37 |
52 |
|
[EDO]A:403 |
4 |
1 |
183 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
17329 |
63.2 |
2.4 |
0.306 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[EDO]B:402 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
3 |
17416 |
63.0 |
2.1 |
0.286 |
1 |
0 |
0 |
0.000 |
39 |
54 |
|
[EDO]D:403 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
11 |
3 |
17308 |
59.5 |
2.2 |
0.294 |
0 |
0 |
0 |
0.000 |
40 |
55 |
|
B |
8 |
5 |
17308 |
f |
[EDO]C:404 |
-x,-y-1,z-1/2 |
2_544 |
4 |
1 |
186 |
58.7 |
0.9 |
0.624 |
0 |
0 |
0 |
0.000 |
41 |
56 |
|
[EDO]A:404 |
4 |
1 |
181 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
17379 |
57.3 |
1.9 |
0.878 |
1 |
0 |
0 |
0.000 |
42 |
57 |
|
[EDO]D:405 |
4 |
1 |
183 |
f |
L |
-y,x-1,z+1/4 |
3_545 |
8 |
3 |
3010 |
56.1 |
0.8 |
0.842 |
1 |
0 |
0 |
0.000 |
43 |
58 |
|
B |
5 |
4 |
17308 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
3 |
17379 |
46.3 |
1.0 |
0.818 |
1 |
1 |
0 |
0.000 |
44 |
59 |
|
C |
3 |
2 |
17329 |
◊ |
N |
x-1,y,z |
1_455 |
4 |
2 |
2646 |
44.0 |
-0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
C |
5 |
2 |
17329 |
◊ |
D |
-y-1,x-1,z+1/4 |
3_445 |
3 |
1 |
17416 |
38.0 |
-0.3 |
0.427 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
M |
6 |
3 |
2582 |
◊ |
B |
-y-1,x,z+1/4 |
3_455 |
3 |
1 |
17308 |
33.1 |
-0.2 |
0.758 |
0 |
0 |
0 |
0.000 |
47 |
62 |
|
[EDO]D:406 |
3 |
1 |
187 |
f |
[TLA]D:402 |
x,y,z |
1_555 |
5 |
1 |
266 |
32.4 |
0.7 |
0.684 |
1 |
0 |
0 |
0.000 |
48 |
63 |
|
N |
2 |
1 |
2646 |
◊ |
L |
x,y,z |
1_555 |
4 |
1 |
3010 |
28.8 |
-0.2 |
0.600 |
0 |
0 |
0 |
0.003 |
64 |
|
M |
2 |
1 |
2582 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
3029 |
24.7 |
-0.1 |
0.694 |
0 |
0 |
0 |
0.003 |
Average: |
26.8 |
-0.1 |
0.647 |
0 |
0 |
0 |
0.003 |
49 |
65 |
|
[EDO]D:405 |
2 |
1 |
183 |
◊ |
B |
-y,x-1,z+1/4 |
3_545 |
7 |
1 |
17308 |
28.8 |
0.5 |
0.734 |
0 |
0 |
0 |
0.000 |
50 |
66 |
|
[EDO]A:405 |
3 |
1 |
186 |
◊ |
[TLA]A:402 |
x,y,z |
1_555 |
5 |
1 |
267 |
28.1 |
1.0 |
0.684 |
1 |
0 |
0 |
0.000 |
51 |
67 |
|
[EDO]C:402 |
2 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
17379 |
28.0 |
0.9 |
0.718 |
0 |
0 |
0 |
0.000 |
52 |
68 |
|
[SB4]B:401 |
1 |
1 |
532 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
3010 |
23.5 |
0.5 |
0.891 |
0 |
0 |
0 |
0.000 |
69 |
|
[SB4]C:401 |
1 |
1 |
526 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
3029 |
21.6 |
0.5 |
0.853 |
0 |
0 |
0 |
0.000 |
Average: |
22.5 |
0.5 |
0.872 |
0 |
0 |
0 |
0.000 |
53 |
70 |
|
[SB4]C:401 |
2 |
1 |
526 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
17379 |
22.0 |
-0.5 |
0.512 |
0 |
0 |
0 |
0.014 |
71 |
|
[SB4]B:401 |
4 |
1 |
532 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
17416 |
21.8 |
-0.5 |
0.597 |
0 |
0 |
0 |
0.014 |
72 |
|
[SB4]A:401 |
3 |
1 |
529 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
17329 |
17.5 |
-0.4 |
0.572 |
0 |
0 |
0 |
0.014 |
73 |
|
[SB4]D:401 |
3 |
1 |
534 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
17308 |
16.1 |
-0.4 |
0.553 |
0 |
0 |
0 |
0.014 |
Average: |
19.3 |
-0.4 |
0.559 |
0 |
0 |
0 |
0.014 |
54 |
74 |
|
K |
1 |
1 |
3029 |
◊ |
D |
-y,x-1,z+1/4 |
3_545 |
4 |
1 |
17416 |
21.8 |
0.6 |
0.826 |
1 |
1 |
0 |
0.000 |
55 |
75 |
|
K |
3 |
2 |
3029 |
◊ |
M |
-y,x,z+1/4 |
3_555 |
2 |
2 |
2582 |
20.3 |
-0.2 |
0.613 |
0 |
0 |
0 |
0.000 |
56 |
76 |
|
[EDO]B:404 |
1 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
3 |
1 |
3010 |
17.9 |
0.2 |
0.829 |
0 |
0 |
0 |
0.000 |
57 |
77 |
|
[EDO]C:405 |
2 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
17379 |
15.0 |
0.3 |
0.818 |
0 |
0 |
0 |
0.000 |
58 |
78 |
|
A |
3 |
1 |
17379 |
◊ |
D |
-y,x,z+1/4 |
3_555 |
3 |
1 |
17416 |
13.2 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
79 |
|
A |
1 |
1 |
17379 |
◊ |
D |
-y,x-1,z+1/4 |
3_545 |
1 |
1 |
17416 |
5.0 |
0.1 |
0.772 |
0 |
0 |
0 |
0.000 |
Average: |
9.1 |
0.2 |
0.764 |
0 |
0 |
0 |
0.000 |
59 |
80 |
|
B |
3 |
2 |
17308 |
◊ |
L |
-y,x-1,z+1/4 |
3_545 |
4 |
2 |
3010 |
9.1 |
-0.0 |
0.704 |
0 |
0 |
0 |
0.000 |
60 |
81 |
|
A |
2 |
1 |
17379 |
◊ |
B |
-y-1,x,z+1/4 |
3_455 |
2 |
1 |
17308 |
8.4 |
0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
61 |
82 |
|
C |
1 |
1 |
17329 |
x |
C |
-y,x,z+1/4 |
3_555 |
1 |
1 |
17329 |
4.9 |
-0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
62 |
83 |
|
[EDO]B:404 |
1 |
1 |
185 |
f |
[EDO]B:403 |
x,y,z |
1_555 |
1 |
1 |
185 |
4.5 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
63 |
84 |
|
B |
1 |
1 |
17308 |
x |
B |
-y,x-1,z+1/4 |
3_545 |
1 |
1 |
17308 |
0.6 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|