## |
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 |
|
J |
659 |
147 |
32762 |
◊ |
I |
x,y,z |
1_555 |
654 |
147 |
32748 |
6503.3 |
-75.4 |
0.988 |
366 |
0 |
0 |
0.790 |
2 |
2 |
|
F |
239 |
56 |
7642 |
◊ |
E |
x,y,z |
1_555 |
262 |
59 |
8840 |
2535.9 |
-45.2 |
0.020 |
26 |
5 |
0 |
1.000 |
3 |
|
B |
233 |
52 |
6860 |
◊ |
A |
x,y,z |
1_555 |
247 |
57 |
8739 |
2467.3 |
-38.5 |
0.062 |
22 |
8 |
0 |
1.000 |
Average: |
2501.6 |
-41.8 |
0.041 |
24 |
7 |
0 |
1.000 |
3 |
4 |
|
D |
258 |
63 |
8449 |
◊ |
C |
x,y,z |
1_555 |
243 |
61 |
8732 |
2485.2 |
-44.3 |
0.027 |
21 |
8 |
0 |
1.000 |
5 |
|
H |
259 |
62 |
7953 |
◊ |
G |
x,y,z |
1_555 |
245 |
61 |
8535 |
2472.4 |
-46.0 |
0.024 |
20 |
7 |
0 |
1.000 |
Average: |
2478.8 |
-45.1 |
0.025 |
21 |
8 |
0 |
1.000 |
4 |
6 |
|
I |
110 |
21 |
32748 |
◊ |
E |
x,y,z |
1_555 |
81 |
24 |
8840 |
782.8 |
-5.6 |
0.843 |
13 |
0 |
0 |
0.228 |
7 |
|
J |
101 |
21 |
32762 |
◊ |
A |
x,y,z |
1_555 |
81 |
24 |
8739 |
774.5 |
-6.7 |
0.798 |
13 |
0 |
0 |
0.228 |
Average: |
778.7 |
-6.2 |
0.821 |
13 |
0 |
0 |
0.228 |
5 |
8 |
|
I |
88 |
17 |
32748 |
◊ |
A |
x,y,z |
1_555 |
78 |
24 |
8739 |
735.8 |
-11.4 |
0.589 |
16 |
0 |
0 |
0.410 |
9 |
|
J |
83 |
17 |
32762 |
◊ |
E |
x,y,z |
1_555 |
74 |
24 |
8840 |
702.5 |
-9.8 |
0.611 |
14 |
0 |
0 |
0.410 |
Average: |
719.1 |
-10.6 |
0.600 |
15 |
0 |
0 |
0.410 |
6 |
10 |
|
G |
62 |
17 |
8535 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
8739 |
653.3 |
-7.9 |
0.303 |
8 |
0 |
0 |
1.000 |
11 |
|
C |
62 |
16 |
8732 |
◊ |
E |
x,y,z |
1_555 |
63 |
20 |
8840 |
647.0 |
-7.8 |
0.316 |
8 |
0 |
0 |
1.000 |
Average: |
650.1 |
-7.9 |
0.309 |
8 |
0 |
0 |
1.000 |
7 |
12 |
|
E |
60 |
15 |
8840 |
◊ |
A |
x,y,z |
1_555 |
58 |
15 |
8739 |
627.3 |
-7.6 |
0.374 |
4 |
6 |
0 |
0.083 |
8 |
13 |
|
I |
70 |
16 |
32748 |
◊ |
D |
x,y,z |
1_555 |
62 |
19 |
8449 |
552.5 |
-2.2 |
0.815 |
11 |
0 |
0 |
0.094 |
14 |
|
J |
59 |
13 |
32762 |
◊ |
H |
x,y,z |
1_555 |
47 |
15 |
7953 |
414.9 |
-5.0 |
0.715 |
9 |
0 |
0 |
0.094 |
Average: |
483.7 |
-3.6 |
0.765 |
10 |
0 |
0 |
0.094 |
9 |
15 |
|
J |
66 |
12 |
32762 |
◊ |
D |
x,y,z |
1_555 |
53 |
15 |
8449 |
519.2 |
0.4 |
0.890 |
7 |
0 |
0 |
0.018 |
16 |
|
I |
42 |
8 |
32748 |
◊ |
H |
x,y,z |
1_555 |
37 |
12 |
7953 |
358.6 |
-1.5 |
0.771 |
4 |
0 |
0 |
0.018 |
Average: |
438.9 |
-0.5 |
0.830 |
6 |
0 |
0 |
0.018 |
10 |
17 |
|
D |
48 |
13 |
8449 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
6860 |
483.7 |
-1.6 |
0.678 |
6 |
3 |
0 |
0.034 |
18 |
|
H |
48 |
12 |
7953 |
◊ |
F |
x,y,z |
1_555 |
51 |
11 |
7642 |
474.5 |
-2.3 |
0.628 |
5 |
3 |
0 |
0.034 |
Average: |
479.1 |
-2.0 |
0.653 |
6 |
3 |
0 |
0.034 |
11 |
19 |
|
I |
57 |
13 |
32748 |
◊ |
G |
x,y,z |
1_555 |
46 |
17 |
8535 |
439.5 |
-5.1 |
0.687 |
8 |
0 |
0 |
0.048 |
20 |
|
J |
54 |
12 |
32762 |
◊ |
C |
x,y,z |
1_555 |
49 |
18 |
8732 |
420.1 |
-4.3 |
0.695 |
11 |
0 |
0 |
0.048 |
Average: |
429.8 |
-4.7 |
0.691 |
10 |
0 |
0 |
0.048 |
12 |
21 |
|
G |
46 |
15 |
8535 |
◊ |
B |
x,y,z |
1_555 |
49 |
12 |
6860 |
418.1 |
-3.1 |
0.481 |
6 |
0 |
0 |
0.049 |
22 |
|
C |
44 |
14 |
8732 |
◊ |
F |
x,y,z |
1_555 |
48 |
12 |
7642 |
389.2 |
-3.9 |
0.394 |
4 |
0 |
0 |
0.049 |
Average: |
403.7 |
-3.5 |
0.438 |
5 |
0 |
0 |
0.049 |
13 |
23 |
|
J |
50 |
11 |
32762 |
◊ |
B |
x,y,z |
1_555 |
45 |
16 |
6860 |
410.0 |
-8.0 |
0.493 |
6 |
0 |
0 |
0.092 |
24 |
|
I |
40 |
8 |
32748 |
◊ |
F |
x,y,z |
1_555 |
38 |
13 |
7642 |
336.8 |
-7.2 |
0.456 |
5 |
0 |
0 |
0.092 |
Average: |
373.4 |
-7.6 |
0.474 |
6 |
0 |
0 |
0.092 |
14 |
25 |
|
I |
56 |
11 |
32748 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
8732 |
392.9 |
-4.8 |
0.684 |
5 |
0 |
0 |
0.136 |
26 |
|
J |
52 |
11 |
32762 |
◊ |
G |
x,y,z |
1_555 |
49 |
14 |
8535 |
389.5 |
-3.9 |
0.708 |
8 |
0 |
0 |
0.136 |
Average: |
391.2 |
-4.4 |
0.696 |
7 |
0 |
0 |
0.136 |
15 |
27 |
|
J |
45 |
13 |
32762 |
◊ |
F |
x,y,z |
1_555 |
34 |
13 |
7642 |
324.6 |
-3.4 |
0.674 |
5 |
0 |
0 |
0.053 |
28 |
|
I |
37 |
10 |
32748 |
◊ |
B |
x,y,z |
1_555 |
29 |
11 |
6860 |
266.2 |
-1.1 |
0.744 |
3 |
0 |
0 |
0.053 |
Average: |
295.4 |
-2.2 |
0.709 |
4 |
0 |
0 |
0.053 |
16 |
29 |
|
D |
32 |
11 |
8449 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
35 |
9 |
7642 |
304.5 |
-0.9 |
0.629 |
2 |
2 |
0 |
0.004 |
17 |
30 |
|
C |
31 |
9 |
8732 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
24 |
7 |
7642 |
252.3 |
-0.4 |
0.643 |
2 |
4 |
0 |
0.003 |
18 |
31 |
|
H |
34 |
11 |
7953 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
6860 |
246.5 |
-1.6 |
0.602 |
5 |
1 |
0 |
0.034 |
32 |
|
D |
33 |
11 |
8449 |
◊ |
F |
x,y,z |
1_555 |
26 |
6 |
7642 |
234.5 |
-2.1 |
0.519 |
4 |
0 |
0 |
0.034 |
Average: |
240.5 |
-1.9 |
0.560 |
5 |
1 |
0 |
0.034 |
19 |
33 |
|
D |
17 |
6 |
8449 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
4 |
32762 |
138.9 |
-0.9 |
0.618 |
1 |
0 |
0 |
0.002 |
20 |
34 |
|
G |
17 |
4 |
8535 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8732 |
125.3 |
0.1 |
0.687 |
1 |
0 |
0 |
0.001 |
21 |
35 |
|
A |
12 |
3 |
8739 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
16 |
3 |
32762 |
117.7 |
-1.4 |
0.604 |
2 |
0 |
0 |
0.000 |
22 |
36 |
|
J |
16 |
5 |
32762 |
◊ |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
20 |
4 |
32748 |
103.2 |
-2.3 |
0.611 |
0 |
0 |
0 |
0.000 |
23 |
37 |
|
I |
12 |
1 |
32748 |
◊ |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
13 |
1 |
32762 |
83.0 |
3.5 |
0.898 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
C |
12 |
3 |
8732 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
8840 |
82.0 |
0.5 |
0.674 |
0 |
0 |
0 |
0.000 |
25 |
39 |
|
D |
11 |
3 |
8449 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
3 |
32748 |
72.7 |
-1.8 |
0.484 |
0 |
0 |
0 |
0.003 |
26 |
40 |
|
J |
9 |
1 |
32762 |
x |
J |
x-1/2,-y+5/2,-z+1 |
4_476 |
9 |
1 |
32762 |
69.6 |
1.5 |
0.764 |
0 |
0 |
0 |
0.000 |
27 |
41 |
|
D |
5 |
2 |
8449 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
8535 |
69.1 |
-0.6 |
0.544 |
0 |
0 |
0 |
0.005 |
42 |
|
H |
7 |
3 |
7953 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8732 |
61.5 |
-0.4 |
0.554 |
1 |
0 |
0 |
0.005 |
Average: |
65.3 |
-0.5 |
0.549 |
1 |
0 |
0 |
0.005 |
28 |
43 |
|
D |
7 |
4 |
8449 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
8840 |
62.1 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
29 |
44 |
|
[MN]J:105 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32762 |
57.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.120 |
45 |
|
[MN]I:107 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
3 |
32748 |
55.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.120 |
Average: |
56.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.120 |
30 |
46 |
|
J |
10 |
3 |
32762 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
6 |
3 |
32748 |
55.1 |
-3.6 |
0.305 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
I |
5 |
1 |
32748 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
7953 |
54.7 |
-2.1 |
0.355 |
2 |
0 |
0 |
0.000 |
32 |
48 |
|
[MN]I:106 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32748 |
54.1 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.093 |
49 |
|
[MN]J:103 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
32762 |
52.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.093 |
Average: |
53.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.093 |
33 |
50 |
|
[MN]J:104 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32762 |
52.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.098 |
51 |
|
[MN]I:102 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32748 |
51.4 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
52.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.098 |
34 |
52 |
|
[MN]I:101 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
10 |
3 |
32748 |
51.1 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.073 |
35 |
53 |
|
[MN]I:104 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32748 |
50.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.083 |
54 |
|
[MN]J:102 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
10 |
3 |
32762 |
50.4 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
50.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.083 |
36 |
55 |
|
[MN]I:103 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
32748 |
50.5 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.088 |
56 |
|
[MN]J:101 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
32762 |
49.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.088 |
Average: |
50.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.088 |
37 |
57 |
|
[MN]E:201 |
1 |
1 |
123 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8840 |
48.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.160 |
38 |
58 |
|
[MN]J:106 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
6 |
2 |
32762 |
39.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.080 |
59 |
|
[MN]I:105 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
32748 |
38.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
39.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.080 |
39 |
60 |
|
[MN]I:105 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
32762 |
37.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
61 |
|
[MN]J:106 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
5 |
3 |
32748 |
36.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
Average: |
37.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.015 |
40 |
62 |
|
[MN]I:101 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
7 |
3 |
32762 |
35.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
41 |
63 |
|
D |
8 |
4 |
8449 |
◊ |
[MN]E:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
35.2 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.004 |
42 |
64 |
|
[MN]J:102 |
1 |
1 |
123 |
◊ |
I |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
32748 |
29.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
65 |
|
J |
6 |
2 |
32762 |
◊ |
H |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
7953 |
27.7 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
44 |
66 |
|
J |
2 |
1 |
32762 |
◊ |
A |
x-1/2,-y+5/2,-z+1 |
4_476 |
2 |
1 |
8739 |
27.4 |
-0.9 |
0.399 |
1 |
0 |
0 |
0.000 |
45 |
67 |
|
E |
3 |
1 |
8840 |
◊ |
I |
x-1/2,-y+5/2,-z+1 |
4_476 |
3 |
1 |
32748 |
25.5 |
0.5 |
0.656 |
1 |
0 |
0 |
0.000 |
46 |
68 |
|
C |
2 |
1 |
8732 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8739 |
25.3 |
0.4 |
0.777 |
1 |
0 |
0 |
0.000 |
69 |
|
G |
1 |
1 |
8535 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8840 |
2.2 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
Average: |
13.7 |
0.2 |
0.688 |
1 |
0 |
0 |
0.000 |
47 |
70 |
|
[MN]J:102 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
32748 |
22.5 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.011 |
71 |
|
[MN]I:104 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
32762 |
18.4 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.011 |
Average: |
20.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.011 |
48 |
72 |
|
[MN]I:107 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
32762 |
22.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.006 |
73 |
|
[MN]J:105 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32748 |
14.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
Average: |
18.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
74 |
|
I |
3 |
1 |
32748 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
8535 |
22.0 |
-0.4 |
0.521 |
1 |
0 |
0 |
0.000 |
50 |
75 |
|
I |
3 |
2 |
32748 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
3 |
32762 |
20.7 |
-1.5 |
0.420 |
0 |
0 |
0 |
0.000 |
51 |
76 |
|
I |
3 |
1 |
32748 |
x |
I |
x-1,y,z |
1_455 |
6 |
2 |
32748 |
18.9 |
-1.6 |
0.392 |
0 |
0 |
0 |
0.000 |
52 |
77 |
|
[MN]E:201 |
1 |
1 |
123 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
7642 |
16.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.010 |
53 |
78 |
|
C |
3 |
1 |
8732 |
◊ |
[MN]E:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
16.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
54 |
79 |
|
D |
2 |
1 |
8449 |
◊ |
[MN]I:101 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
15.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
55 |
80 |
|
[MN]I:102 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
32762 |
13.2 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.002 |
81 |
|
[MN]J:104 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32748 |
6.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
9.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
56 |
82 |
|
[MN]I:106 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32762 |
11.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
83 |
|
[MN]J:103 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
32748 |
8.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
Average: |
9.9 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
57 |
84 |
|
[MN]I:103 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
32762 |
7.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
85 |
|
[MN]J:101 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
32748 |
6.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
7.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
58 |
86 |
|
C |
2 |
1 |
8732 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
2 |
32762 |
5.6 |
-0.2 |
0.479 |
0 |
0 |
0 |
0.000 |
59 |
87 |
|
J |
1 |
1 |
32762 |
x |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
32762 |
4.9 |
-0.1 |
0.316 |
0 |
0 |
0 |
0.000 |
60 |
88 |
|
B |
1 |
1 |
6860 |
◊ |
J |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
32762 |
0.3 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
|