| ## |
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 |
273 |
82 |
24898 |
◊ |
A |
x,y,z |
1_555 |
274 |
82 |
25170 |
2596.5 |
-30.5 |
0.046 |
41 |
4 |
0 |
0.628 |
2 |
|
H |
269 |
81 |
24961 |
◊ |
G |
x,y,z |
1_555 |
271 |
82 |
25006 |
2565.3 |
-30.8 |
0.039 |
42 |
4 |
0 |
0.628 |
3 |
|
D |
270 |
82 |
25115 |
◊ |
C |
x,y,z |
1_555 |
273 |
83 |
25129 |
2560.1 |
-31.3 |
0.039 |
42 |
4 |
0 |
0.628 |
4 |
|
F |
272 |
81 |
25015 |
◊ |
E |
x,y,z |
1_555 |
271 |
80 |
25077 |
2552.6 |
-30.7 |
0.043 |
45 |
4 |
0 |
0.628 |
| Average: |
2568.6 |
-30.8 |
0.042 |
43 |
4 |
0 |
0.628 |
| 2 |
5 |
|
H |
121 |
34 |
24961 |
◊ |
E |
x,y,z |
1_555 |
117 |
34 |
25077 |
1102.6 |
-13.1 |
0.134 |
9 |
0 |
0 |
0.180 |
6 |
|
C |
117 |
33 |
25129 |
◊ |
B |
x,y,z |
1_555 |
118 |
34 |
24898 |
1101.5 |
-13.1 |
0.139 |
10 |
0 |
0 |
0.180 |
7 |
|
G |
117 |
34 |
25006 |
◊ |
F |
x,y,z |
1_555 |
117 |
34 |
25015 |
1080.4 |
-14.2 |
0.099 |
8 |
0 |
0 |
0.180 |
8 |
|
D |
117 |
34 |
25115 |
◊ |
A |
x,y,z |
1_555 |
116 |
33 |
25170 |
1072.5 |
-14.0 |
0.103 |
8 |
0 |
0 |
0.180 |
| Average: |
1089.2 |
-13.6 |
0.119 |
9 |
0 |
0 |
0.180 |
| 3 |
9 |
|
[FAD]C:7004 |
52 |
1 |
1000 |
f |
C |
x,y,z |
1_555 |
112 |
44 |
25129 |
742.6 |
-9.6 |
0.448 |
14 |
0 |
0 |
0.390 |
10 |
|
[FAD]H:7007 |
52 |
1 |
1001 |
f |
H |
x,y,z |
1_555 |
109 |
45 |
24961 |
740.5 |
-9.6 |
0.452 |
13 |
0 |
0 |
0.390 |
11 |
|
[FAD]F:7006 |
52 |
1 |
999 |
f |
F |
x,y,z |
1_555 |
110 |
45 |
25015 |
740.3 |
-9.7 |
0.449 |
14 |
0 |
0 |
0.390 |
12 |
|
[FAD]B:7002 |
53 |
1 |
996 |
f |
B |
x,y,z |
1_555 |
112 |
46 |
24898 |
738.9 |
-9.8 |
0.463 |
13 |
0 |
0 |
0.390 |
13 |
|
[FAD]D:7003 |
52 |
1 |
996 |
f |
D |
x,y,z |
1_555 |
111 |
45 |
25115 |
738.6 |
-9.9 |
0.443 |
13 |
0 |
0 |
0.390 |
14 |
|
[FAD]E:7005 |
52 |
1 |
999 |
f |
E |
x,y,z |
1_555 |
109 |
42 |
25077 |
738.4 |
-9.6 |
0.440 |
14 |
0 |
0 |
0.390 |
15 |
|
[FAD]G:7008 |
53 |
1 |
996 |
f |
G |
x,y,z |
1_555 |
111 |
46 |
25006 |
736.8 |
-9.3 |
0.447 |
13 |
0 |
0 |
0.390 |
16 |
|
[FAD]A:7001 |
52 |
1 |
997 |
f |
A |
x,y,z |
1_555 |
111 |
45 |
25170 |
735.1 |
-9.6 |
0.441 |
13 |
0 |
0 |
0.390 |
| Average: |
738.9 |
-9.6 |
0.448 |
13 |
0 |
0 |
0.390 |
| 4 |
17 |
|
H |
43 |
15 |
24961 |
◊ |
F |
x,y,z |
1_555 |
45 |
15 |
25015 |
455.6 |
-10.2 |
0.017 |
0 |
0 |
0 |
0.105 |
18 |
|
C |
43 |
13 |
25129 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
25170 |
450.5 |
-10.4 |
0.014 |
0 |
0 |
0 |
0.105 |
19 |
|
G |
42 |
14 |
25006 |
◊ |
E |
x,y,z |
1_555 |
43 |
14 |
25077 |
449.7 |
-10.3 |
0.014 |
0 |
0 |
0 |
0.105 |
20 |
|
D |
40 |
13 |
25115 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
24898 |
445.5 |
-10.2 |
0.013 |
0 |
0 |
0 |
0.105 |
| Average: |
450.3 |
-10.3 |
0.014 |
0 |
0 |
0 |
0.105 |
| 5 |
21 |
|
B |
43 |
16 |
24898 |
◊ |
H |
-x+1,y-3/2,-z+1 |
2_636 |
46 |
18 |
24961 |
373.8 |
-3.6 |
0.355 |
0 |
0 |
0 |
0.000 |
22 |
|
A |
34 |
14 |
25170 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
13 |
25006 |
296.3 |
-0.8 |
0.546 |
0 |
0 |
0 |
0.000 |
23 |
|
B |
32 |
14 |
24898 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
21 |
9 |
25170 |
201.2 |
-1.7 |
0.313 |
0 |
0 |
0 |
0.000 |
24 |
|
D |
29 |
13 |
25115 |
◊ |
E |
-x+1,y-3/2,-z |
2_635 |
19 |
10 |
25077 |
200.4 |
-1.3 |
0.400 |
0 |
1 |
0 |
0.000 |
25 |
|
G |
30 |
13 |
25006 |
◊ |
H |
-x+1,y-1/2,-z |
2_645 |
21 |
9 |
24961 |
187.5 |
-1.6 |
0.321 |
0 |
0 |
0 |
0.000 |
| Average: |
251.9 |
-1.8 |
0.387 |
0 |
0 |
0 |
0.000 |
| 6 |
26 |
|
E |
23 |
8 |
25077 |
◊ |
F |
-x+2,y-1/2,-z |
2_745 |
32 |
12 |
25015 |
282.7 |
-2.0 |
0.335 |
3 |
0 |
0 |
0.000 |
| 7 |
27 |
|
F |
27 |
11 |
25015 |
x |
F |
-x+2,y-1/2,-z |
2_745 |
30 |
11 |
25015 |
276.2 |
0.6 |
0.754 |
2 |
1 |
0 |
0.000 |
| 8 |
28 |
|
D |
28 |
11 |
25115 |
x |
E |
-x+1,y-1/2,-z |
2_645 |
35 |
14 |
25077 |
257.7 |
-1.7 |
0.455 |
1 |
1 |
0 |
0.000 |
29 |
|
C |
19 |
9 |
25129 |
x |
C |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
13 |
25129 |
186.3 |
-2.1 |
0.258 |
1 |
1 |
0 |
0.000 |
| Average: |
222.0 |
-1.9 |
0.356 |
1 |
1 |
0 |
0.000 |
| 9 |
30 |
|
A |
30 |
9 |
25170 |
◊ |
H |
-x+1,y-1/2,-z+1 |
2_646 |
21 |
7 |
24961 |
229.1 |
-1.0 |
0.536 |
2 |
0 |
0 |
0.000 |
31 |
|
A |
10 |
6 |
25170 |
◊ |
H |
-x+1,y-3/2,-z+1 |
2_636 |
12 |
4 |
24961 |
65.1 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
| Average: |
147.1 |
-0.3 |
0.634 |
1 |
0 |
0 |
0.000 |
| 10 |
32 |
|
B |
21 |
8 |
24898 |
◊ |
H |
x-1,y-1,z |
1_445 |
21 |
8 |
24961 |
191.8 |
-2.0 |
0.385 |
1 |
0 |
0 |
0.000 |
33 |
|
A |
15 |
7 |
25170 |
◊ |
G |
x,y-1,z+1 |
1_546 |
12 |
6 |
25006 |
110.6 |
-1.6 |
0.344 |
0 |
0 |
0 |
0.000 |
| Average: |
151.2 |
-1.8 |
0.364 |
1 |
0 |
0 |
0.000 |
| 11 |
34 |
|
[MES]A:8002 |
12 |
1 |
326 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
25170 |
177.9 |
4.9 |
0.467 |
0 |
0 |
0 |
0.000 |
| 12 |
35 |
|
[MES]F:8001 |
12 |
1 |
327 |
◊ |
F |
x,y,z |
1_555 |
29 |
11 |
25015 |
177.2 |
4.9 |
0.473 |
0 |
0 |
0 |
0.000 |
| 13 |
36 |
|
[MES]E:8007 |
11 |
1 |
332 |
◊ |
E |
x,y,z |
1_555 |
29 |
11 |
25077 |
173.9 |
3.8 |
0.397 |
0 |
0 |
0 |
0.000 |
| 14 |
37 |
|
[MES]C:8008 |
12 |
1 |
324 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
25129 |
171.6 |
3.9 |
0.413 |
0 |
0 |
0 |
0.000 |
38 |
|
[MES]B:8003 |
12 |
1 |
324 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
24898 |
169.9 |
4.0 |
0.433 |
0 |
0 |
0 |
0.000 |
| Average: |
170.7 |
4.0 |
0.423 |
0 |
0 |
0 |
0.000 |
| 15 |
39 |
|
[MES]H:8004 |
12 |
1 |
323 |
◊ |
H |
x,y,z |
1_555 |
28 |
11 |
24961 |
171.5 |
4.2 |
0.387 |
0 |
0 |
0 |
0.000 |
| 16 |
40 |
|
[MES]D:8005 |
12 |
1 |
326 |
◊ |
D |
x,y,z |
1_555 |
29 |
11 |
25115 |
171.5 |
3.9 |
0.433 |
0 |
0 |
0 |
0.000 |
41 |
|
[MES]G:8006 |
12 |
1 |
325 |
◊ |
G |
x,y,z |
1_555 |
29 |
11 |
25006 |
171.2 |
4.1 |
0.429 |
0 |
0 |
0 |
0.000 |
| Average: |
171.3 |
4.0 |
0.431 |
0 |
0 |
0 |
0.000 |
| 17 |
42 |
|
D |
15 |
6 |
25115 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
22 |
7 |
25129 |
146.8 |
-0.5 |
0.581 |
1 |
0 |
0 |
0.000 |
| 18 |
43 |
|
D |
14 |
3 |
25115 |
◊ |
F |
x-1,y-1,z |
1_445 |
15 |
5 |
25015 |
133.7 |
1.9 |
0.888 |
2 |
2 |
0 |
0.000 |
| 19 |
44 |
|
G |
15 |
6 |
25006 |
x |
G |
-x+1,y-1/2,-z |
2_645 |
11 |
6 |
25006 |
99.4 |
-1.0 |
0.403 |
0 |
0 |
0 |
0.000 |
45 |
|
B |
10 |
4 |
24898 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
14 |
7 |
24898 |
67.8 |
0.3 |
0.688 |
0 |
0 |
0 |
0.000 |
| Average: |
83.6 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
| 20 |
46 |
|
[MES]E:8007 |
9 |
1 |
332 |
◊ |
F |
x,y,z |
1_555 |
10 |
5 |
25015 |
85.0 |
1.1 |
0.102 |
0 |
0 |
0 |
0.000 |
| 21 |
47 |
|
[MES]D:8005 |
8 |
1 |
326 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
25129 |
84.8 |
1.1 |
0.159 |
0 |
0 |
0 |
0.000 |
| 22 |
48 |
|
[MES]C:8008 |
8 |
1 |
324 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
25115 |
84.5 |
1.1 |
0.151 |
0 |
0 |
0 |
0.000 |
49 |
|
[MES]B:8003 |
8 |
1 |
324 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
25170 |
83.8 |
1.3 |
0.148 |
0 |
0 |
0 |
0.000 |
| Average: |
84.1 |
1.2 |
0.150 |
0 |
0 |
0 |
0.000 |
| 23 |
50 |
|
[MES]G:8006 |
8 |
1 |
325 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
24961 |
83.3 |
1.1 |
0.137 |
0 |
0 |
0 |
0.000 |
| 24 |
51 |
|
[MES]H:8004 |
8 |
1 |
323 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
25006 |
82.7 |
1.3 |
0.123 |
0 |
0 |
0 |
0.000 |
| 25 |
52 |
|
[MES]F:8001 |
8 |
1 |
327 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
25077 |
81.3 |
1.2 |
0.133 |
0 |
0 |
0 |
0.000 |
| 26 |
53 |
|
[MES]A:8002 |
8 |
1 |
326 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
24898 |
80.9 |
1.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| 27 |
54 |
|
D |
4 |
2 |
25115 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
3 |
25129 |
53.7 |
0.3 |
0.411 |
0 |
0 |
0 |
0.000 |
55 |
|
E |
5 |
2 |
25077 |
◊ |
F |
x,y-1,z |
1_545 |
3 |
2 |
25015 |
37.0 |
-0.5 |
0.357 |
0 |
0 |
0 |
0.000 |
| Average: |
45.4 |
-0.1 |
0.384 |
0 |
0 |
0 |
0.000 |
| 28 |
56 |
|
[MES]A:8002 |
4 |
1 |
326 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
25115 |
37.7 |
0.4 |
0.097 |
0 |
0 |
0 |
0.000 |
| 29 |
57 |
|
[MES]F:8001 |
4 |
1 |
327 |
f |
G |
x,y,z |
1_555 |
4 |
2 |
25006 |
37.0 |
0.4 |
0.161 |
0 |
0 |
0 |
0.000 |
| 30 |
58 |
|
[MES]B:8003 |
4 |
1 |
324 |
f |
C |
x,y,z |
1_555 |
3 |
2 |
25129 |
36.4 |
0.4 |
0.129 |
0 |
0 |
0 |
0.000 |
59 |
|
[MES]C:8008 |
4 |
1 |
324 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
24898 |
36.0 |
0.4 |
0.143 |
0 |
0 |
0 |
0.000 |
60 |
|
[MES]E:8007 |
4 |
1 |
332 |
f |
H |
x,y,z |
1_555 |
3 |
2 |
24961 |
35.5 |
0.4 |
0.123 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
0.4 |
0.132 |
0 |
0 |
0 |
0.000 |
| 31 |
61 |
|
[MES]G:8006 |
4 |
1 |
325 |
f |
F |
x,y,z |
1_555 |
3 |
2 |
25015 |
36.0 |
0.4 |
0.139 |
0 |
0 |
0 |
0.000 |
62 |
|
[MES]D:8005 |
4 |
1 |
326 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
25170 |
34.8 |
0.4 |
0.145 |
0 |
0 |
0 |
0.000 |
| Average: |
35.4 |
0.4 |
0.142 |
0 |
0 |
0 |
0.000 |
| 32 |
63 |
|
[MES]H:8004 |
4 |
1 |
323 |
f |
E |
x,y,z |
1_555 |
4 |
2 |
25077 |
34.1 |
0.5 |
0.152 |
0 |
0 |
0 |
0.000 |
|