## |
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 |
|
B |
365 |
103 |
20999 |
◊ |
B |
-x,-y,z |
2_555 |
364 |
103 |
20999 |
3607.7 |
-23.9 |
0.346 |
67 |
8 |
0 |
0.933 |
2 |
|
A |
363 |
104 |
21223 |
◊ |
A |
-x,-y,z |
2_555 |
362 |
104 |
21223 |
3584.5 |
-24.0 |
0.354 |
61 |
8 |
0 |
0.933 |
3 |
|
C |
348 |
103 |
20774 |
◊ |
C |
-x+1,-y-1,z |
2_645 |
350 |
103 |
20774 |
3488.2 |
-25.7 |
0.386 |
61 |
8 |
0 |
0.933 |
Average: |
3560.2 |
-24.5 |
0.362 |
63 |
8 |
0 |
0.933 |
2 |
4 |
|
B |
127 |
32 |
20999 |
◊ |
C |
x-1/2,-y-1/2,-z+1/2 |
8_445 |
128 |
32 |
20774 |
1143.7 |
-4.2 |
0.683 |
6 |
9 |
0 |
0.104 |
5 |
|
A |
125 |
30 |
21223 |
◊ |
A |
x,-y,-z+1 |
4_556 |
125 |
30 |
21223 |
1128.6 |
-4.0 |
0.654 |
6 |
10 |
0 |
0.104 |
Average: |
1136.2 |
-4.1 |
0.668 |
6 |
10 |
0 |
0.104 |
3 |
6 |
|
C |
125 |
36 |
20774 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
121 |
36 |
20999 |
1091.1 |
-11.5 |
0.228 |
12 |
4 |
0 |
0.464 |
7 |
|
A |
123 |
36 |
21223 |
◊ |
A |
-x,y,-z+1 |
3_556 |
124 |
36 |
21223 |
1087.1 |
-11.4 |
0.216 |
12 |
4 |
0 |
0.464 |
Average: |
1089.1 |
-11.5 |
0.222 |
12 |
4 |
0 |
0.464 |
4 |
8 |
|
B |
57 |
22 |
20999 |
◊ |
A |
-x,-y,z |
2_555 |
57 |
21 |
21223 |
603.7 |
3.5 |
0.920 |
15 |
14 |
0 |
0.000 |
5 |
9 |
|
[NAX]C:602 |
42 |
1 |
862 |
cf |
C |
x,y,z |
1_555 |
81 |
31 |
20774 |
422.4 |
-5.7 |
0.388 |
8 |
0 |
0 |
0.465 |
10 |
|
[NAX]A:602 |
42 |
1 |
859 |
cf |
A |
x,y,z |
1_555 |
83 |
33 |
21223 |
407.6 |
-5.2 |
0.371 |
7 |
0 |
0 |
0.465 |
11 |
|
[NAX]B:602 |
41 |
1 |
859 |
cf |
B |
x,y,z |
1_555 |
84 |
32 |
20999 |
401.4 |
-5.2 |
0.369 |
7 |
0 |
0 |
0.465 |
Average: |
410.5 |
-5.3 |
0.376 |
7 |
0 |
0 |
0.465 |
6 |
12 |
|
[NAD]C:601 |
42 |
1 |
858 |
f |
C |
x,y,z |
1_555 |
81 |
31 |
20774 |
405.2 |
-5.5 |
0.387 |
8 |
0 |
0 |
0.459 |
13 |
|
[NAD]B:601 |
42 |
1 |
859 |
f |
B |
x,y,z |
1_555 |
83 |
32 |
20999 |
400.3 |
-5.1 |
0.373 |
7 |
0 |
0 |
0.459 |
14 |
|
[NAD]A:601 |
42 |
1 |
858 |
f |
A |
x,y,z |
1_555 |
83 |
33 |
21223 |
394.6 |
-5.1 |
0.377 |
7 |
0 |
0 |
0.459 |
Average: |
400.0 |
-5.3 |
0.379 |
7 |
0 |
0 |
0.459 |
7 |
15 |
|
C |
33 |
10 |
20774 |
◊ |
A |
-x+1,-y,z |
2_655 |
29 |
11 |
21223 |
302.4 |
-0.7 |
0.658 |
4 |
2 |
0 |
0.000 |
8 |
16 |
|
[NAX]C:602 |
42 |
1 |
862 |
f |
[NAD]C:601 |
x,y,z |
1_555 |
43 |
1 |
858 |
299.2 |
-3.9 |
0.715 |
0 |
0 |
0 |
0.199 |
17 |
|
[NAX]A:602 |
42 |
1 |
859 |
f |
[NAD]A:601 |
x,y,z |
1_555 |
43 |
1 |
858 |
289.0 |
-3.7 |
0.699 |
0 |
0 |
0 |
0.199 |
18 |
|
[NAX]B:602 |
42 |
1 |
859 |
f |
[NAD]B:601 |
x,y,z |
1_555 |
41 |
1 |
859 |
288.3 |
-3.6 |
0.703 |
0 |
0 |
0 |
0.199 |
Average: |
292.2 |
-3.7 |
0.705 |
0 |
0 |
0 |
0.199 |
9 |
19 |
|
B |
27 |
7 |
20999 |
x |
B |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
24 |
7 |
20999 |
206.4 |
-0.8 |
0.587 |
3 |
2 |
0 |
0.000 |
10 |
20 |
|
[EDO]A:608 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
21 |
8 |
21223 |
115.9 |
3.1 |
0.424 |
1 |
0 |
0 |
0.000 |
11 |
21 |
|
[EDO]A:606 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
21223 |
115.2 |
3.4 |
0.502 |
3 |
0 |
0 |
0.000 |
12 |
22 |
|
[EDO]B:608 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
20999 |
115.0 |
2.6 |
0.414 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
[EDO]B:606 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
20999 |
114.8 |
3.3 |
0.499 |
1 |
0 |
0 |
0.000 |
14 |
24 |
|
[EDO]C:606 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
20774 |
113.8 |
3.0 |
0.429 |
2 |
0 |
0 |
0.000 |
15 |
25 |
|
[EDO]A:611 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
21223 |
102.1 |
4.2 |
0.561 |
2 |
0 |
0 |
0.000 |
16 |
26 |
|
[EDO]C:609 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
20774 |
97.5 |
3.4 |
0.542 |
2 |
0 |
0 |
0.000 |
17 |
27 |
|
[EDO]A:605 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
21223 |
94.9 |
1.9 |
0.411 |
2 |
0 |
0 |
0.000 |
28 |
|
[EDO]B:605 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20999 |
94.8 |
2.0 |
0.398 |
2 |
0 |
0 |
0.000 |
Average: |
94.8 |
2.0 |
0.405 |
2 |
0 |
0 |
0.000 |
18 |
29 |
|
[EDO]B:610 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
20999 |
92.5 |
2.3 |
0.405 |
2 |
0 |
0 |
0.000 |
30 |
|
[EDO]C:608 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
22 |
8 |
20774 |
91.8 |
2.3 |
0.422 |
2 |
0 |
0 |
0.000 |
Average: |
92.1 |
2.3 |
0.414 |
2 |
0 |
0 |
0.000 |
19 |
31 |
|
[EDO]C:607 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
20774 |
91.9 |
1.8 |
0.394 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[EDO]A:610 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
21223 |
90.4 |
2.4 |
0.401 |
1 |
0 |
0 |
0.000 |
21 |
33 |
|
[EDO]B:609 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
26 |
8 |
20999 |
89.2 |
2.1 |
0.406 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[EDO]A:609 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
23 |
8 |
21223 |
89.0 |
2.0 |
0.382 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
[EDO]B:603 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
16 |
10 |
20999 |
87.2 |
2.2 |
0.292 |
3 |
0 |
0 |
0.000 |
36 |
|
[EDO]C:603 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
15 |
10 |
20774 |
86.4 |
2.2 |
0.297 |
3 |
0 |
0 |
0.000 |
37 |
|
[EDO]A:603 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
21223 |
84.9 |
2.2 |
0.292 |
3 |
0 |
0 |
0.000 |
Average: |
86.2 |
2.2 |
0.294 |
3 |
0 |
0 |
0.000 |
24 |
38 |
|
[EDO]B:607 |
4 |
1 |
183 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
20999 |
83.7 |
1.9 |
0.267 |
3 |
0 |
0 |
0.000 |
39 |
|
[EDO]A:607 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
21223 |
81.9 |
1.8 |
0.265 |
3 |
0 |
0 |
0.000 |
40 |
|
[EDO]C:605 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
20774 |
81.7 |
1.8 |
0.272 |
3 |
0 |
0 |
0.000 |
Average: |
82.4 |
1.8 |
0.268 |
3 |
0 |
0 |
0.000 |
25 |
41 |
|
[EDO]A:604 |
4 |
1 |
185 |
◊ |
A |
-x,-y,z |
2_555 |
9 |
5 |
21223 |
71.0 |
1.4 |
0.208 |
0 |
0 |
0 |
0.000 |
42 |
|
[EDO]B:604 |
4 |
1 |
184 |
◊ |
B |
-x,-y,z |
2_555 |
7 |
4 |
20999 |
70.8 |
1.5 |
0.184 |
0 |
0 |
0 |
0.000 |
Average: |
70.9 |
1.4 |
0.196 |
0 |
0 |
0 |
0.000 |
26 |
43 |
|
[EDO]C:604 |
4 |
1 |
184 |
◊ |
C |
-x+1,-y-1,z |
2_645 |
8 |
4 |
20774 |
67.9 |
1.4 |
0.200 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[EDO]B:604 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
9 |
3 |
20999 |
65.6 |
1.3 |
0.771 |
3 |
0 |
0 |
0.000 |
45 |
|
[EDO]A:604 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
3 |
21223 |
65.3 |
1.4 |
0.790 |
3 |
0 |
0 |
0.000 |
Average: |
65.5 |
1.4 |
0.780 |
3 |
0 |
0 |
0.000 |
28 |
46 |
|
[EDO]C:604 |
4 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
20774 |
63.3 |
1.3 |
0.788 |
3 |
0 |
0 |
0.000 |
29 |
47 |
|
[EDO]C:605 |
4 |
1 |
185 |
◊ |
C |
-x+1,-y-1,z |
2_645 |
6 |
3 |
20774 |
54.1 |
1.7 |
0.753 |
0 |
0 |
0 |
0.000 |
48 |
|
[EDO]A:607 |
4 |
1 |
184 |
◊ |
A |
-x,-y,z |
2_555 |
6 |
3 |
21223 |
54.0 |
1.7 |
0.735 |
0 |
0 |
0 |
0.000 |
49 |
|
[EDO]B:607 |
4 |
1 |
183 |
◊ |
B |
-x,-y,z |
2_555 |
6 |
3 |
20999 |
53.1 |
1.6 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
53.7 |
1.7 |
0.743 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
[EDO]A:603 |
3 |
1 |
184 |
◊ |
A |
-x,y,-z+1 |
3_556 |
11 |
3 |
21223 |
46.6 |
1.3 |
0.253 |
0 |
0 |
0 |
0.000 |
51 |
|
[EDO]C:603 |
3 |
1 |
183 |
◊ |
B |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
11 |
3 |
20999 |
45.9 |
1.3 |
0.256 |
0 |
0 |
0 |
0.000 |
52 |
|
C |
11 |
3 |
20774 |
◊ |
[EDO]B:603 |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
3 |
1 |
183 |
45.5 |
1.3 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
46.0 |
1.3 |
0.256 |
0 |
0 |
0 |
0.000 |
31 |
53 |
|
[EDO]A:605 |
3 |
1 |
184 |
◊ |
[NAX]A:602 |
x,y,z |
1_555 |
4 |
1 |
859 |
33.9 |
1.0 |
0.892 |
2 |
0 |
0 |
0.000 |
54 |
|
[EDO]B:605 |
4 |
1 |
185 |
◊ |
[NAX]B:602 |
x,y,z |
1_555 |
4 |
1 |
859 |
33.8 |
1.0 |
0.895 |
2 |
0 |
0 |
0.000 |
Average: |
33.9 |
1.0 |
0.894 |
2 |
0 |
0 |
0.000 |
32 |
55 |
|
[EDO]B:605 |
4 |
1 |
185 |
◊ |
[NAD]B:601 |
x,y,z |
1_555 |
4 |
1 |
859 |
33.6 |
1.0 |
0.895 |
2 |
0 |
0 |
0.000 |
56 |
|
[EDO]A:605 |
3 |
1 |
184 |
◊ |
[NAD]A:601 |
x,y,z |
1_555 |
4 |
1 |
858 |
33.1 |
0.9 |
0.895 |
2 |
0 |
0 |
0.000 |
Average: |
33.4 |
1.0 |
0.895 |
2 |
0 |
0 |
0.000 |
33 |
57 |
|
C |
3 |
1 |
20774 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
21223 |
30.0 |
-0.7 |
0.312 |
0 |
0 |
0 |
0.000 |
34 |
58 |
|
[EDO]A:610 |
4 |
1 |
184 |
f |
[EDO]A:609 |
x,y,z |
1_555 |
2 |
1 |
185 |
27.6 |
1.0 |
1.000 |
0 |
0 |
0 |
0.000 |
35 |
59 |
|
[EDO]C:608 |
3 |
1 |
184 |
f |
[EDO]C:607 |
x,y,z |
1_555 |
2 |
1 |
185 |
27.2 |
1.0 |
1.000 |
1 |
0 |
0 |
0.000 |
36 |
60 |
|
[EDO]B:610 |
4 |
1 |
184 |
f |
[EDO]B:609 |
x,y,z |
1_555 |
2 |
1 |
183 |
26.4 |
1.1 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
61 |
|
[EDO]C:607 |
2 |
1 |
185 |
f |
[NAX]C:602 |
x,y,z |
1_555 |
3 |
1 |
862 |
18.4 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
38 |
62 |
|
[EDO]C:607 |
2 |
1 |
185 |
f |
[NAD]C:601 |
x,y,z |
1_555 |
3 |
1 |
858 |
17.6 |
0.4 |
0.709 |
0 |
0 |
0 |
0.000 |
39 |
63 |
|
[EDO]B:609 |
3 |
1 |
183 |
f |
[NAX]B:602 |
x,y,z |
1_555 |
2 |
1 |
859 |
16.8 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
40 |
64 |
|
[EDO]B:609 |
3 |
1 |
183 |
f |
[NAD]B:601 |
x,y,z |
1_555 |
3 |
1 |
859 |
16.1 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
41 |
65 |
|
[EDO]A:610 |
2 |
1 |
184 |
f |
[NAX]A:602 |
x,y,z |
1_555 |
3 |
1 |
859 |
16.0 |
0.0 |
0.670 |
0 |
0 |
0 |
0.000 |
42 |
66 |
|
[EDO]A:609 |
2 |
1 |
185 |
f |
[NAX]A:602 |
x,y,z |
1_555 |
3 |
1 |
859 |
15.8 |
0.3 |
0.683 |
0 |
0 |
0 |
0.000 |
43 |
67 |
|
[EDO]B:610 |
2 |
1 |
184 |
f |
[NAX]B:602 |
x,y,z |
1_555 |
4 |
1 |
859 |
15.4 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
68 |
|
[EDO]C:608 |
1 |
1 |
184 |
f |
[NAX]C:602 |
x,y,z |
1_555 |
3 |
1 |
862 |
15.1 |
-0.0 |
0.684 |
0 |
0 |
0 |
0.000 |
Average: |
15.2 |
0.0 |
0.699 |
0 |
0 |
0 |
0.000 |
44 |
69 |
|
[EDO]A:609 |
2 |
1 |
185 |
f |
[NAD]A:601 |
x,y,z |
1_555 |
3 |
1 |
858 |
15.2 |
0.4 |
0.684 |
0 |
0 |
0 |
0.000 |
45 |
70 |
|
[EDO]B:610 |
2 |
1 |
184 |
f |
[NAD]B:601 |
x,y,z |
1_555 |
3 |
1 |
859 |
14.7 |
0.0 |
0.674 |
0 |
0 |
0 |
0.000 |
71 |
|
[EDO]C:608 |
1 |
1 |
184 |
f |
[NAD]C:601 |
x,y,z |
1_555 |
2 |
1 |
858 |
14.5 |
0.0 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
14.6 |
0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
46 |
72 |
|
[EDO]A:610 |
2 |
1 |
184 |
f |
[NAD]A:601 |
x,y,z |
1_555 |
2 |
1 |
858 |
14.5 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
47 |
73 |
|
B |
3 |
1 |
20999 |
◊ |
A |
-x+1/2,y-1/2,-z+1/2 |
7_545 |
1 |
1 |
21223 |
7.6 |
0.2 |
0.791 |
0 |
0 |
0 |
0.000 |
48 |
74 |
|
B |
2 |
2 |
20999 |
x |
B |
x-1/2,-y-1/2,-z+1/2 |
8_445 |
3 |
1 |
20999 |
4.3 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
49 |
75 |
|
[EDO]A:605 |
1 |
1 |
184 |
f |
B |
-x,-y,z |
2_555 |
1 |
1 |
20999 |
2.6 |
0.1 |
0.876 |
0 |
0 |
0 |
0.000 |
50 |
76 |
|
B |
1 |
1 |
20999 |
f |
[EDO]B:608 |
-x-1/2,y-1/2,-z+1/2 |
7_445 |
1 |
1 |
183 |
1.7 |
0.1 |
0.869 |
0 |
0 |
0 |
0.000 |
51 |
77 |
|
[EDO]B:605 |
1 |
1 |
185 |
f |
A |
-x,-y,z |
2_555 |
2 |
2 |
21223 |
1.2 |
0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
|