| ## |
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 |
|
C |
155 |
44 |
11669 |
◊ |
B |
x,y,z |
1_555 |
155 |
43 |
11809 |
1455.1 |
-25.5 |
0.024 |
6 |
0 |
0 |
0.352 |
2 |
|
D |
154 |
43 |
11712 |
◊ |
A |
x,y,z |
1_555 |
150 |
41 |
11702 |
1439.7 |
-23.8 |
0.038 |
7 |
0 |
0 |
0.352 |
| Average: |
1447.4 |
-24.7 |
0.031 |
7 |
0 |
0 |
0.352 |
| 2 |
3 |
|
B |
126 |
34 |
11809 |
◊ |
A |
x,y,z |
1_555 |
125 |
34 |
11702 |
1195.7 |
-15.1 |
0.164 |
8 |
0 |
0 |
0.304 |
4 |
|
D |
129 |
34 |
11712 |
◊ |
C |
x,y,z |
1_555 |
123 |
35 |
11669 |
1178.1 |
-16.8 |
0.123 |
10 |
0 |
0 |
0.304 |
| Average: |
1186.9 |
-16.0 |
0.143 |
9 |
0 |
0 |
0.304 |
| 3 |
5 |
|
A |
49 |
14 |
11702 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
55 |
19 |
11669 |
443.6 |
1.0 |
0.833 |
5 |
2 |
0 |
0.010 |
| 4 |
6 |
|
[NAI]D:303 |
44 |
1 |
816 |
f |
D |
x,y,z |
1_555 |
84 |
31 |
11712 |
386.1 |
-4.0 |
0.642 |
14 |
0 |
0 |
0.323 |
7 |
|
[NAI]B:304 |
43 |
1 |
814 |
f |
B |
x,y,z |
1_555 |
81 |
31 |
11809 |
383.6 |
-4.1 |
0.622 |
14 |
0 |
0 |
0.323 |
8 |
|
[NAI]C:302 |
44 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
11669 |
375.3 |
-4.4 |
0.592 |
14 |
0 |
0 |
0.323 |
9 |
|
[NAI]A:304 |
43 |
1 |
817 |
f |
A |
x,y,z |
1_555 |
76 |
31 |
11702 |
368.1 |
-4.0 |
0.590 |
14 |
0 |
0 |
0.323 |
| Average: |
378.3 |
-4.1 |
0.611 |
14 |
0 |
0 |
0.323 |
| 5 |
10 |
|
[NAD]B:303 |
43 |
1 |
815 |
f |
B |
x,y,z |
1_555 |
81 |
31 |
11809 |
385.1 |
-4.1 |
0.611 |
14 |
0 |
0 |
0.330 |
11 |
|
[NAD]D:302 |
44 |
1 |
817 |
f |
D |
x,y,z |
1_555 |
84 |
31 |
11712 |
381.7 |
-4.0 |
0.649 |
14 |
0 |
0 |
0.330 |
12 |
|
[NAD]A:303 |
43 |
1 |
818 |
f |
A |
x,y,z |
1_555 |
76 |
31 |
11702 |
375.8 |
-4.0 |
0.592 |
15 |
0 |
0 |
0.330 |
13 |
|
[NAD]C:301 |
44 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
83 |
32 |
11669 |
369.0 |
-4.4 |
0.595 |
14 |
0 |
0 |
0.330 |
| Average: |
377.9 |
-4.1 |
0.612 |
14 |
0 |
0 |
0.330 |
| 6 |
14 |
|
[NAI]D:303 |
43 |
1 |
816 |
f |
[NAD]D:302 |
x,y,z |
1_555 |
40 |
1 |
817 |
267.5 |
-3.3 |
0.697 |
2 |
0 |
0 |
0.129 |
15 |
|
[NAI]B:304 |
40 |
1 |
814 |
f |
[NAD]B:303 |
x,y,z |
1_555 |
42 |
1 |
815 |
265.7 |
-3.3 |
0.676 |
2 |
0 |
0 |
0.129 |
16 |
|
[NAI]A:304 |
42 |
1 |
817 |
f |
[NAD]A:303 |
x,y,z |
1_555 |
42 |
1 |
818 |
262.8 |
-3.3 |
0.688 |
2 |
0 |
0 |
0.129 |
17 |
|
[NAI]C:302 |
42 |
1 |
821 |
f |
[NAD]C:301 |
x,y,z |
1_555 |
40 |
1 |
821 |
262.0 |
-3.2 |
0.674 |
2 |
0 |
0 |
0.129 |
| Average: |
264.5 |
-3.3 |
0.684 |
2 |
0 |
0 |
0.129 |
| 7 |
18 |
|
A |
32 |
13 |
11702 |
◊ |
C |
y-1,x,-z |
7_455 |
28 |
6 |
11669 |
260.1 |
-0.2 |
0.737 |
1 |
2 |
0 |
0.000 |
19 |
|
D |
24 |
6 |
11712 |
◊ |
C |
y,x,-z |
7_555 |
24 |
11 |
11669 |
210.3 |
-1.7 |
0.515 |
1 |
0 |
0 |
0.000 |
20 |
|
B |
24 |
6 |
11809 |
◊ |
D |
y-1,x,-z |
7_455 |
28 |
10 |
11712 |
206.6 |
-0.8 |
0.656 |
1 |
0 |
0 |
0.000 |
| Average: |
225.7 |
-0.9 |
0.636 |
1 |
1 |
0 |
0.000 |
| 8 |
21 |
|
D |
28 |
8 |
11712 |
◊ |
B |
x,y,z |
1_555 |
25 |
8 |
11809 |
241.0 |
1.2 |
0.858 |
2 |
0 |
0 |
0.000 |
22 |
|
C |
26 |
9 |
11669 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
11702 |
220.4 |
1.1 |
0.842 |
2 |
0 |
0 |
0.000 |
| Average: |
230.7 |
1.1 |
0.850 |
2 |
0 |
0 |
0.000 |
| 9 |
23 |
|
B |
20 |
9 |
11809 |
◊ |
A |
y-1,x+1,-z |
7_465 |
27 |
9 |
11702 |
200.5 |
0.6 |
0.790 |
1 |
2 |
0 |
0.000 |
| 10 |
24 |
|
A |
17 |
7 |
11702 |
◊ |
B |
-y+1/2,x+1/2,z+1/4 |
3_555 |
23 |
10 |
11809 |
165.2 |
-0.2 |
0.671 |
1 |
0 |
0 |
0.000 |
| 11 |
25 |
|
[AAE]A:306 |
7 |
1 |
242 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
11702 |
84.4 |
2.7 |
0.614 |
7 |
0 |
0 |
0.006 |
| 12 |
26 |
|
[AAE]C:304 |
7 |
1 |
242 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
11669 |
82.9 |
3.0 |
0.655 |
6 |
0 |
0 |
0.000 |
| 13 |
27 |
|
[AAE]D:305 |
7 |
1 |
242 |
f |
D |
x,y,z |
1_555 |
23 |
13 |
11712 |
82.5 |
2.6 |
0.615 |
6 |
0 |
0 |
0.009 |
28 |
|
[AAE]B:306 |
7 |
1 |
241 |
f |
B |
x,y,z |
1_555 |
21 |
13 |
11809 |
79.6 |
2.5 |
0.602 |
7 |
0 |
0 |
0.009 |
| Average: |
81.1 |
2.6 |
0.608 |
7 |
0 |
0 |
0.009 |
| 14 |
29 |
|
[3HR]D:304 |
7 |
1 |
240 |
f |
D |
x,y,z |
1_555 |
24 |
14 |
11712 |
82.4 |
2.5 |
0.520 |
6 |
0 |
0 |
0.002 |
| 15 |
30 |
|
[3HR]A:305 |
7 |
1 |
238 |
f |
A |
x,y,z |
1_555 |
22 |
13 |
11702 |
81.7 |
2.6 |
0.565 |
5 |
0 |
0 |
0.000 |
| 16 |
31 |
|
[3HR]C:303 |
7 |
1 |
238 |
f |
C |
x,y,z |
1_555 |
25 |
14 |
11669 |
80.9 |
2.9 |
0.593 |
6 |
0 |
0 |
0.000 |
| 17 |
32 |
|
[3HR]B:305 |
7 |
1 |
236 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
11809 |
80.2 |
2.4 |
0.510 |
6 |
0 |
0 |
0.003 |
| 18 |
33 |
|
[CL]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
11702 |
68.9 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.214 |
34 |
|
[CL]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
11809 |
63.3 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.214 |
35 |
|
[CL]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
11712 |
62.7 |
-7.7 |
0.000 |
0 |
0 |
0 |
0.214 |
| Average: |
65.0 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.214 |
| 19 |
36 |
|
[AAE]A:306 |
7 |
1 |
242 |
f |
[3HR]A:305 |
x,y,z |
1_555 |
7 |
1 |
238 |
61.2 |
2.8 |
0.005 |
0 |
0 |
0 |
0.000 |
37 |
|
[AAE]C:304 |
7 |
1 |
242 |
f |
[3HR]C:303 |
x,y,z |
1_555 |
7 |
1 |
238 |
58.6 |
2.7 |
0.005 |
0 |
0 |
0 |
0.000 |
| Average: |
59.9 |
2.8 |
0.005 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[AAE]D:305 |
7 |
1 |
242 |
f |
[3HR]D:304 |
x,y,z |
1_555 |
7 |
1 |
240 |
60.8 |
2.9 |
0.005 |
0 |
0 |
0 |
0.000 |
| 21 |
39 |
|
[AAE]B:306 |
7 |
1 |
241 |
f |
[3HR]B:305 |
x,y,z |
1_555 |
7 |
1 |
236 |
59.8 |
2.8 |
0.001 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
B |
4 |
1 |
11809 |
◊ |
B |
y-1,x+1,-z |
7_465 |
4 |
1 |
11809 |
40.9 |
-0.5 |
0.419 |
0 |
0 |
0 |
0.000 |
| 23 |
41 |
|
B |
5 |
1 |
11809 |
◊ |
C |
y-1,x,-z |
7_455 |
4 |
1 |
11669 |
39.8 |
0.8 |
0.820 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
3 |
1 |
11712 |
◊ |
D |
y,x,-z |
7_555 |
3 |
1 |
11712 |
35.3 |
2.2 |
0.967 |
0 |
0 |
0 |
0.000 |
| Average: |
37.5 |
1.5 |
0.893 |
0 |
0 |
0 |
0.000 |
| 24 |
43 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
11809 |
39.4 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.200 |
44 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
11669 |
38.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.200 |
45 |
|
[CA]B:301 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
11712 |
37.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.200 |
46 |
|
[CA]A:301 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
11702 |
37.3 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.200 |
| Average: |
38.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.200 |
| 25 |
47 |
|
[AAE]C:304 |
4 |
1 |
242 |
f |
[NAI]C:302 |
x,y,z |
1_555 |
7 |
1 |
821 |
33.2 |
0.5 |
0.334 |
0 |
0 |
0 |
0.000 |
| 26 |
48 |
|
[AAE]C:304 |
4 |
1 |
242 |
f |
[NAD]C:301 |
x,y,z |
1_555 |
8 |
1 |
821 |
33.2 |
0.5 |
0.342 |
0 |
0 |
0 |
0.000 |
| 27 |
49 |
|
[3HR]C:303 |
4 |
1 |
238 |
f |
[NAI]C:302 |
x,y,z |
1_555 |
10 |
1 |
821 |
32.6 |
0.4 |
0.165 |
0 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[3HR]C:303 |
4 |
1 |
238 |
f |
[NAD]C:301 |
x,y,z |
1_555 |
10 |
1 |
821 |
32.5 |
0.4 |
0.165 |
0 |
0 |
0 |
0.000 |
| 29 |
51 |
|
[3HR]B:305 |
4 |
1 |
236 |
f |
[NAI]B:304 |
x,y,z |
1_555 |
7 |
1 |
814 |
31.1 |
0.4 |
0.061 |
0 |
0 |
0 |
0.000 |
| 30 |
52 |
|
[3HR]B:305 |
4 |
1 |
236 |
f |
[NAD]B:303 |
x,y,z |
1_555 |
9 |
1 |
815 |
30.6 |
0.4 |
0.064 |
0 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[AAE]B:306 |
4 |
1 |
241 |
f |
[NAI]B:304 |
x,y,z |
1_555 |
7 |
1 |
814 |
30.5 |
0.3 |
0.237 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[3HR]D:304 |
4 |
1 |
240 |
f |
[NAI]D:303 |
x,y,z |
1_555 |
7 |
1 |
816 |
30.4 |
0.3 |
0.060 |
0 |
0 |
0 |
0.000 |
| 33 |
55 |
|
[AAE]B:306 |
4 |
1 |
241 |
f |
[NAD]B:303 |
x,y,z |
1_555 |
8 |
1 |
815 |
30.0 |
0.4 |
0.243 |
0 |
0 |
0 |
0.000 |
| 34 |
56 |
|
[3HR]D:304 |
4 |
1 |
240 |
f |
[NAD]D:302 |
x,y,z |
1_555 |
7 |
1 |
817 |
29.6 |
0.3 |
0.061 |
0 |
0 |
0 |
0.000 |
| 35 |
57 |
|
[AAE]D:305 |
4 |
1 |
242 |
f |
[NAI]D:303 |
x,y,z |
1_555 |
6 |
1 |
816 |
28.1 |
0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
| 36 |
58 |
|
[AAE]D:305 |
4 |
1 |
242 |
f |
[NAD]D:302 |
x,y,z |
1_555 |
7 |
1 |
817 |
27.9 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 37 |
59 |
|
[3HR]A:305 |
3 |
1 |
238 |
f |
[NAI]A:304 |
x,y,z |
1_555 |
7 |
1 |
817 |
27.6 |
0.3 |
0.144 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
[3HR]A:305 |
3 |
1 |
238 |
f |
[NAD]A:303 |
x,y,z |
1_555 |
8 |
1 |
818 |
27.6 |
0.4 |
0.318 |
0 |
0 |
0 |
0.000 |
| 39 |
61 |
|
[AAE]A:306 |
4 |
1 |
242 |
f |
[NAI]A:304 |
x,y,z |
1_555 |
7 |
1 |
817 |
27.3 |
0.4 |
0.241 |
0 |
0 |
0 |
0.000 |
| 40 |
62 |
|
[AAE]A:306 |
4 |
1 |
242 |
f |
[NAD]A:303 |
x,y,z |
1_555 |
8 |
1 |
818 |
27.1 |
0.4 |
0.248 |
0 |
0 |
0 |
0.000 |
| 41 |
63 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11712 |
23.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.060 |
64 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
11809 |
23.3 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.060 |
65 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11669 |
18.6 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.060 |
| Average: |
21.8 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.060 |
| 42 |
66 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11702 |
21.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
67 |
|
[CL]B:302 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11669 |
21.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.048 |
68 |
|
[CL]A:302 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
11712 |
13.9 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.048 |
| Average: |
18.7 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.048 |
| 43 |
69 |
|
[NAD]A:303 |
3 |
1 |
818 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
1 |
11669 |
20.5 |
0.4 |
0.781 |
0 |
0 |
0 |
0.000 |
| 44 |
70 |
|
[NAI]A:304 |
3 |
1 |
817 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
4 |
1 |
11669 |
20.4 |
0.4 |
0.782 |
0 |
0 |
0 |
0.000 |
| 45 |
71 |
|
A |
3 |
2 |
11702 |
◊ |
[NAI]C:302 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
3 |
1 |
821 |
19.6 |
-0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
| 46 |
72 |
|
A |
3 |
2 |
11702 |
◊ |
[NAD]C:301 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
3 |
1 |
821 |
19.4 |
-0.1 |
0.524 |
0 |
0 |
0 |
0.000 |
|