## |
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 |
|
G |
117 |
32 |
19945 |
◊ |
F |
x,y,z |
1_555 |
113 |
31 |
20326 |
1206.8 |
-17.6 |
0.016 |
13 |
5 |
0 |
0.000 |
2 |
|
D |
117 |
33 |
20166 |
◊ |
C |
x,y,z |
1_555 |
121 |
34 |
20089 |
1195.7 |
-16.6 |
0.029 |
11 |
5 |
0 |
0.000 |
3 |
|
H |
117 |
31 |
20011 |
◊ |
B |
x,y,z |
1_555 |
114 |
32 |
20254 |
1195.4 |
-17.9 |
0.013 |
12 |
5 |
0 |
0.000 |
4 |
|
E |
107 |
29 |
19894 |
◊ |
A |
x,y,z |
1_555 |
116 |
31 |
19996 |
1162.4 |
-18.7 |
0.007 |
9 |
2 |
0 |
0.000 |
Average: |
1190.1 |
-17.7 |
0.016 |
11 |
4 |
0 |
0.000 |
2 |
5 |
|
C |
70 |
19 |
20089 |
◊ |
A |
x,y,z |
1_555 |
72 |
19 |
19996 |
681.0 |
-6.3 |
0.256 |
3 |
3 |
0 |
0.000 |
6 |
|
G |
67 |
17 |
19945 |
◊ |
B |
x,y,z |
1_555 |
69 |
17 |
20254 |
654.0 |
-6.3 |
0.228 |
1 |
2 |
0 |
0.000 |
7 |
|
H |
68 |
18 |
20011 |
◊ |
F |
x,y,z |
1_555 |
66 |
17 |
20326 |
634.8 |
-6.6 |
0.206 |
3 |
3 |
0 |
0.000 |
8 |
|
E |
66 |
19 |
19894 |
◊ |
D |
x,y,z |
1_555 |
70 |
18 |
20166 |
628.9 |
-6.6 |
0.198 |
3 |
3 |
0 |
0.000 |
Average: |
649.7 |
-6.5 |
0.222 |
3 |
3 |
0 |
0.000 |
3 |
9 |
|
A |
56 |
17 |
19996 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
55 |
15 |
20166 |
483.6 |
-1.8 |
0.435 |
2 |
0 |
0 |
0.000 |
4 |
10 |
|
A |
42 |
14 |
19996 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
39 |
14 |
20166 |
378.7 |
-1.7 |
0.496 |
3 |
3 |
0 |
0.000 |
5 |
11 |
|
G |
40 |
9 |
19945 |
◊ |
H |
x-1/2,-y+3/2,-z+1 |
4_466 |
40 |
14 |
20011 |
374.1 |
-0.5 |
0.609 |
5 |
2 |
0 |
0.000 |
6 |
12 |
|
F |
42 |
15 |
20326 |
◊ |
D |
x,y,z |
1_555 |
40 |
11 |
20166 |
370.0 |
1.3 |
0.746 |
5 |
3 |
0 |
0.000 |
13 |
|
E |
39 |
13 |
19894 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
36 |
12 |
20011 |
367.6 |
0.5 |
0.616 |
6 |
4 |
0 |
0.000 |
14 |
|
A |
39 |
12 |
19996 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
36 |
12 |
20254 |
322.1 |
0.4 |
0.658 |
5 |
4 |
0 |
0.000 |
15 |
|
G |
33 |
10 |
19945 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
20089 |
304.2 |
0.5 |
0.642 |
6 |
3 |
0 |
0.000 |
Average: |
341.0 |
0.7 |
0.666 |
6 |
4 |
0 |
0.000 |
7 |
16 |
|
E |
35 |
12 |
19894 |
◊ |
C |
x-1,y,z |
1_455 |
46 |
15 |
20089 |
327.1 |
2.6 |
0.818 |
4 |
4 |
0 |
0.000 |
8 |
17 |
|
E |
33 |
7 |
19894 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
46 |
12 |
20011 |
291.8 |
-3.1 |
0.340 |
2 |
0 |
0 |
0.000 |
9 |
18 |
|
F |
30 |
9 |
20326 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
20089 |
278.9 |
-1.4 |
0.506 |
1 |
2 |
0 |
0.000 |
19 |
|
E |
29 |
10 |
19894 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
28 |
9 |
20254 |
273.2 |
-1.3 |
0.452 |
2 |
1 |
0 |
0.000 |
Average: |
276.1 |
-1.3 |
0.479 |
2 |
2 |
0 |
0.000 |
10 |
20 |
|
A |
29 |
9 |
19996 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
31 |
10 |
20011 |
226.0 |
-1.0 |
0.534 |
3 |
1 |
0 |
0.000 |
11 |
21 |
|
F |
26 |
11 |
20326 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
10 |
20254 |
216.9 |
1.8 |
0.818 |
2 |
1 |
0 |
0.000 |
12 |
22 |
|
[AUC]D:603 |
5 |
1 |
234 |
f |
D |
x,y,z |
1_555 |
31 |
11 |
20166 |
146.9 |
2.4 |
0.609 |
0 |
0 |
0 |
0.000 |
13 |
23 |
|
A |
19 |
10 |
19996 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
8 |
20011 |
146.5 |
2.7 |
0.890 |
3 |
3 |
0 |
0.000 |
14 |
24 |
|
[AUC]A:607 |
5 |
1 |
233 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
19996 |
145.8 |
2.1 |
0.583 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[AUC]G:615 |
5 |
1 |
233 |
f |
G |
x,y,z |
1_555 |
27 |
11 |
19945 |
144.5 |
2.4 |
0.603 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[AUC]H:611 |
5 |
1 |
233 |
f |
H |
x,y,z |
1_555 |
26 |
11 |
20011 |
143.5 |
1.4 |
0.465 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[AUC]C:602 |
5 |
1 |
233 |
f |
C |
x,y,z |
1_555 |
27 |
10 |
20089 |
142.9 |
2.4 |
0.574 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[AUC]E:606 |
5 |
1 |
234 |
f |
E |
x,y,z |
1_555 |
27 |
11 |
19894 |
141.0 |
2.1 |
0.571 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[MLI]H:901 |
7 |
1 |
221 |
f |
H |
x,y,z |
1_555 |
23 |
12 |
20011 |
140.4 |
4.1 |
0.474 |
4 |
0 |
0 |
0.000 |
20 |
30 |
|
E |
12 |
5 |
19894 |
◊ |
B |
x-1,y,z |
1_455 |
17 |
5 |
20254 |
136.5 |
0.4 |
0.600 |
0 |
0 |
0 |
0.000 |
21 |
31 |
|
[MLI]E:901 |
7 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
21 |
12 |
19894 |
135.2 |
4.3 |
0.607 |
7 |
0 |
0 |
0.000 |
32 |
|
[MLI]A:901 |
7 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
20 |
10 |
19996 |
133.5 |
4.1 |
0.589 |
6 |
0 |
0 |
0.000 |
Average: |
134.3 |
4.2 |
0.598 |
7 |
0 |
0 |
0.000 |
22 |
33 |
|
[MLI]C:901 |
7 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
20089 |
134.5 |
4.2 |
0.607 |
6 |
0 |
0 |
0.000 |
23 |
34 |
|
[MLI]D:901 |
7 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
20166 |
134.4 |
4.2 |
0.540 |
5 |
0 |
0 |
0.000 |
24 |
35 |
|
[AUC]F:614 |
5 |
1 |
235 |
f |
F |
x,y,z |
1_555 |
26 |
9 |
20326 |
131.1 |
2.7 |
0.636 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[AUC]B:610 |
5 |
1 |
232 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
20254 |
129.8 |
2.6 |
0.594 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[AUC]A:631 |
5 |
1 |
232 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
18 |
8 |
20011 |
123.9 |
1.8 |
0.542 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
D |
14 |
3 |
20166 |
◊ |
H |
-x+1/2,-y+1,z-1/2 |
2_564 |
12 |
3 |
20011 |
118.8 |
-2.5 |
0.141 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
G |
13 |
6 |
19945 |
◊ |
B |
x-1/2,-y+3/2,-z+1 |
4_466 |
15 |
4 |
20254 |
118.5 |
0.4 |
0.706 |
2 |
3 |
0 |
0.000 |
29 |
40 |
|
F |
10 |
3 |
20326 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
19894 |
94.0 |
-1.8 |
0.219 |
0 |
0 |
0 |
0.000 |
41 |
|
E |
7 |
3 |
19894 |
◊ |
F |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
3 |
20326 |
66.1 |
-1.4 |
0.242 |
0 |
0 |
0 |
0.000 |
42 |
|
C |
6 |
3 |
20089 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
20254 |
53.9 |
-1.5 |
0.205 |
0 |
0 |
0 |
0.000 |
Average: |
71.4 |
-1.5 |
0.222 |
0 |
0 |
0 |
0.000 |
30 |
43 |
|
F |
10 |
3 |
20326 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
8 |
3 |
20089 |
76.6 |
-0.5 |
0.482 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
G |
12 |
6 |
19945 |
◊ |
D |
x,y,z |
1_555 |
10 |
5 |
20166 |
74.0 |
0.9 |
0.770 |
0 |
0 |
0 |
0.000 |
32 |
45 |
|
[AUC]A:631 |
5 |
1 |
232 |
f |
A |
x,y,z |
1_555 |
12 |
3 |
19996 |
70.1 |
0.3 |
0.350 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
[AUC]A:624 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
19996 |
68.2 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
47 |
|
[AUC]F:620 |
1 |
1 |
118 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
20326 |
65.9 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
|
[AUC]E:619 |
1 |
1 |
118 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
19894 |
65.6 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
|
[AUC]G:626 |
1 |
1 |
118 |
f |
G |
x,y,z |
1_555 |
11 |
6 |
19945 |
64.0 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
|
[AUC]D:618 |
1 |
1 |
118 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
20166 |
63.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[AUC]C:621 |
1 |
1 |
118 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
20089 |
60.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
|
[AUC]H:617 |
1 |
1 |
118 |
f |
H |
x,y,z |
1_555 |
7 |
4 |
20011 |
59.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[AUC]B:622 |
1 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
20254 |
59.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
63.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
34 |
54 |
|
[AUC]A:608 |
1 |
1 |
118 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
19996 |
68.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.911 |
55 |
|
[AUC]F:613 |
1 |
1 |
118 |
f |
F |
x,y,z |
1_555 |
13 |
7 |
20326 |
67.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.911 |
56 |
|
[AUC]G:616 |
1 |
1 |
118 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
19945 |
65.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.911 |
57 |
|
[AUC]H:612 |
1 |
1 |
118 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
20011 |
64.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.911 |
58 |
|
[AUC]B:609 |
1 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20254 |
64.1 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.911 |
59 |
|
[AUC]D:604 |
1 |
1 |
118 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
20166 |
63.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.911 |
60 |
|
[AUC]C:601 |
1 |
1 |
118 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
20089 |
62.4 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.911 |
61 |
|
[AUC]E:605 |
1 |
1 |
118 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
19894 |
62.4 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.911 |
Average: |
64.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.911 |
35 |
62 |
|
[AUC]F:641 |
1 |
1 |
118 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
20326 |
66.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
|
[AUC]B:640 |
1 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
20254 |
58.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
62.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.000 |
36 |
64 |
|
C |
6 |
1 |
20089 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
7 |
2 |
20254 |
58.0 |
-1.5 |
0.165 |
0 |
0 |
0 |
0.000 |
37 |
65 |
|
[AUC]B:638 |
1 |
1 |
118 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
20254 |
57.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
66 |
|
[AUC]H:629 |
1 |
1 |
118 |
f |
H |
x,y,z |
1_555 |
12 |
4 |
20011 |
56.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.000 |
67 |
|
[AUC]E:628 |
1 |
1 |
118 |
f |
E |
x,y,z |
1_555 |
13 |
4 |
19894 |
56.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
68 |
|
[AUC]F:627 |
1 |
1 |
118 |
f |
F |
x,y,z |
1_555 |
12 |
4 |
20326 |
56.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
69 |
|
[AUC]D:640 |
1 |
1 |
118 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
20166 |
55.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
|
[AUC]C:634 |
1 |
1 |
118 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
20089 |
53.4 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
55.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
[AUC]C:635 |
1 |
1 |
118 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
20166 |
56.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
|
[AUC]B:630 |
1 |
1 |
118 |
◊ |
H |
x,y,z |
1_555 |
5 |
3 |
20011 |
54.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[AUC]F:637 |
1 |
1 |
118 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
19945 |
50.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
|
[AUC]F:637 |
1 |
1 |
118 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
20326 |
47.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
75 |
|
[AUC]B:630 |
1 |
1 |
118 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
20254 |
43.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
|
[AUC]C:635 |
1 |
1 |
118 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
20089 |
40.0 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
48.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
77 |
|
[MLI]C:901 |
3 |
1 |
224 |
f |
[AUC]C:602 |
x,y,z |
1_555 |
4 |
1 |
233 |
22.1 |
0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
40 |
78 |
|
[MLI]D:901 |
3 |
1 |
221 |
f |
[AUC]D:603 |
x,y,z |
1_555 |
4 |
1 |
234 |
19.4 |
0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
41 |
79 |
|
[MLI]E:901 |
3 |
1 |
222 |
f |
[AUC]E:606 |
x,y,z |
1_555 |
4 |
1 |
234 |
18.2 |
0.4 |
0.477 |
0 |
0 |
0 |
0.000 |
42 |
80 |
|
[AUC]B:640 |
1 |
1 |
118 |
f |
[AUC]B:610 |
x,y,z |
1_555 |
3 |
1 |
232 |
17.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.100 |
81 |
|
[AUC]F:641 |
1 |
1 |
118 |
f |
[AUC]F:614 |
x,y,z |
1_555 |
4 |
1 |
235 |
15.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
16.7 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.100 |
43 |
82 |
|
[MLI]A:901 |
3 |
1 |
221 |
f |
[AUC]A:607 |
x,y,z |
1_555 |
4 |
1 |
233 |
16.4 |
0.4 |
0.477 |
0 |
0 |
0 |
0.000 |
44 |
83 |
|
[MLI]H:901 |
3 |
1 |
221 |
f |
[AUC]H:611 |
x,y,z |
1_555 |
4 |
1 |
233 |
14.9 |
0.5 |
0.435 |
0 |
0 |
0 |
0.000 |
|