## |
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 |
234 |
61 |
23340 |
◊ |
A |
x,y,z |
1_555 |
223 |
59 |
23232 |
2156.4 |
-16.9 |
0.207 |
20 |
0 |
0 |
0.389 |
2 |
|
D |
227 |
59 |
23300 |
◊ |
C |
x,y,z |
1_555 |
226 |
60 |
23299 |
2140.4 |
-18.8 |
0.148 |
19 |
0 |
0 |
0.389 |
Average: |
2148.4 |
-17.8 |
0.178 |
20 |
0 |
0 |
0.389 |
2 |
3 |
|
C |
112 |
29 |
23299 |
◊ |
B |
x,y,z |
1_555 |
102 |
26 |
23340 |
920.5 |
-7.7 |
0.320 |
9 |
4 |
0 |
0.199 |
4 |
|
D |
106 |
26 |
23300 |
◊ |
A |
x,y,z |
1_555 |
100 |
25 |
23232 |
915.8 |
-6.2 |
0.422 |
10 |
4 |
0 |
0.199 |
Average: |
918.2 |
-6.9 |
0.371 |
10 |
4 |
0 |
0.199 |
3 |
5 |
|
D |
88 |
23 |
23300 |
◊ |
B |
x,y,z |
1_555 |
85 |
23 |
23340 |
813.7 |
-6.0 |
0.338 |
10 |
0 |
0 |
0.115 |
6 |
|
C |
75 |
20 |
23299 |
◊ |
A |
x,y,z |
1_555 |
85 |
23 |
23232 |
777.3 |
-7.6 |
0.222 |
8 |
0 |
0 |
0.115 |
Average: |
795.5 |
-6.8 |
0.280 |
9 |
0 |
0 |
0.115 |
4 |
7 |
|
[NAD]C:2601 |
44 |
1 |
865 |
f |
C |
x,y,z |
1_555 |
85 |
29 |
23299 |
578.0 |
-7.2 |
0.507 |
15 |
0 |
0 |
0.458 |
8 |
|
[NAD]B:1601 |
43 |
1 |
870 |
f |
B |
x,y,z |
1_555 |
83 |
29 |
23340 |
576.0 |
-8.0 |
0.433 |
14 |
0 |
0 |
0.458 |
9 |
|
[NAD]A:601 |
44 |
1 |
866 |
f |
A |
x,y,z |
1_555 |
82 |
29 |
23232 |
574.2 |
-7.6 |
0.469 |
15 |
0 |
0 |
0.458 |
10 |
|
[NAD]D:3601 |
44 |
1 |
866 |
f |
D |
x,y,z |
1_555 |
83 |
29 |
23300 |
570.0 |
-7.5 |
0.474 |
16 |
0 |
0 |
0.458 |
Average: |
574.5 |
-7.6 |
0.471 |
15 |
0 |
0 |
0.458 |
5 |
11 |
|
[NAD]B:1602 |
36 |
1 |
760 |
f |
B |
x,y,z |
1_555 |
47 |
16 |
23340 |
378.1 |
-0.8 |
0.693 |
10 |
0 |
0 |
0.085 |
6 |
12 |
|
[NAD]A:602 |
38 |
1 |
807 |
f |
A |
x,y,z |
1_555 |
46 |
14 |
23232 |
378.0 |
0.6 |
0.767 |
9 |
0 |
0 |
0.128 |
13 |
|
[NAD]D:3602 |
39 |
1 |
798 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
23300 |
372.3 |
-0.1 |
0.762 |
9 |
0 |
0 |
0.128 |
14 |
|
[NAD]C:2602 |
39 |
1 |
803 |
f |
C |
x,y,z |
1_555 |
44 |
15 |
23299 |
367.2 |
-0.8 |
0.692 |
9 |
0 |
0 |
0.128 |
Average: |
372.5 |
-0.1 |
0.740 |
9 |
0 |
0 |
0.128 |
7 |
15 |
|
D |
35 |
13 |
23300 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
40 |
12 |
23340 |
369.7 |
-0.6 |
0.622 |
4 |
0 |
0 |
0.000 |
8 |
16 |
|
D |
33 |
13 |
23300 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
41 |
15 |
23299 |
329.0 |
1.7 |
0.777 |
6 |
6 |
0 |
0.000 |
17 |
|
B |
32 |
14 |
23340 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
25 |
10 |
23232 |
261.6 |
0.1 |
0.670 |
3 |
2 |
0 |
0.000 |
Average: |
295.3 |
0.9 |
0.723 |
5 |
4 |
0 |
0.000 |
9 |
18 |
|
C |
25 |
9 |
23299 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
35 |
12 |
23232 |
252.7 |
-0.7 |
0.500 |
1 |
1 |
0 |
0.000 |
19 |
|
D |
27 |
9 |
23300 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
18 |
7 |
23340 |
215.4 |
-1.8 |
0.325 |
1 |
1 |
0 |
0.000 |
Average: |
234.0 |
-1.3 |
0.413 |
1 |
1 |
0 |
0.000 |
10 |
20 |
|
C |
24 |
8 |
23299 |
◊ |
C |
-x+1,y,-z |
2_655 |
24 |
8 |
23299 |
221.5 |
0.9 |
0.754 |
4 |
4 |
0 |
0.000 |
11 |
21 |
|
[NAD]A:602 |
15 |
1 |
807 |
◊ |
D |
x,y,z |
1_555 |
24 |
8 |
23300 |
154.9 |
-0.2 |
0.647 |
0 |
0 |
0 |
0.025 |
22 |
|
[NAD]C:2602 |
14 |
1 |
803 |
◊ |
B |
x,y,z |
1_555 |
23 |
7 |
23340 |
145.3 |
-1.5 |
0.534 |
0 |
0 |
0 |
0.025 |
23 |
|
[NAD]D:3602 |
15 |
1 |
798 |
◊ |
A |
x,y,z |
1_555 |
22 |
9 |
23232 |
132.5 |
-1.3 |
0.566 |
0 |
0 |
0 |
0.025 |
Average: |
144.2 |
-1.0 |
0.582 |
0 |
0 |
0 |
0.025 |
12 |
24 |
|
[FUM]A:700 |
8 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
26 |
11 |
23232 |
146.8 |
2.4 |
0.003 |
3 |
0 |
0 |
0.000 |
25 |
|
[FUM]C:2700 |
8 |
1 |
253 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
23299 |
145.2 |
2.6 |
0.003 |
3 |
0 |
0 |
0.000 |
26 |
|
[FUM]B:1700 |
8 |
1 |
253 |
f |
B |
x,y,z |
1_555 |
26 |
10 |
23340 |
145.0 |
2.5 |
0.044 |
3 |
0 |
0 |
0.000 |
27 |
|
[FUM]D:3700 |
8 |
1 |
254 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
23300 |
144.5 |
2.5 |
0.003 |
3 |
0 |
0 |
0.000 |
Average: |
145.4 |
2.5 |
0.013 |
3 |
0 |
0 |
0.000 |
13 |
28 |
|
[NAD]B:1602 |
19 |
1 |
760 |
◊ |
C |
x,y,z |
1_555 |
19 |
8 |
23299 |
142.3 |
-1.3 |
0.559 |
0 |
0 |
0 |
0.022 |
14 |
29 |
|
A |
15 |
5 |
23232 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
14 |
4 |
23299 |
116.7 |
-0.9 |
0.452 |
1 |
0 |
0 |
0.000 |
15 |
30 |
|
[PYR]D:3603 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
23300 |
99.1 |
3.1 |
0.593 |
4 |
0 |
0 |
0.000 |
31 |
|
[PYR]A:603 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
23232 |
98.1 |
3.1 |
0.590 |
4 |
0 |
0 |
0.000 |
32 |
|
[PYR]C:2603 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
23299 |
95.4 |
3.1 |
0.586 |
4 |
0 |
0 |
0.000 |
33 |
|
[PYR]B:1603 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
23340 |
95.3 |
3.1 |
0.591 |
4 |
0 |
0 |
0.000 |
Average: |
97.0 |
3.1 |
0.590 |
4 |
0 |
0 |
0.000 |
16 |
34 |
|
C |
9 |
3 |
23299 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
2 |
23340 |
87.6 |
0.6 |
0.762 |
2 |
3 |
0 |
0.000 |
17 |
35 |
|
[FUM]D:3700 |
8 |
1 |
254 |
◊ |
C |
x,y,z |
1_555 |
10 |
2 |
23299 |
71.7 |
1.3 |
0.657 |
0 |
0 |
0 |
0.000 |
36 |
|
[FUM]A:700 |
8 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
23340 |
70.3 |
1.3 |
0.678 |
0 |
0 |
0 |
0.000 |
37 |
|
[FUM]C:2700 |
8 |
1 |
253 |
◊ |
D |
x,y,z |
1_555 |
10 |
2 |
23300 |
70.2 |
1.2 |
0.649 |
0 |
0 |
0 |
0.000 |
38 |
|
[FUM]B:1700 |
8 |
1 |
253 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
23232 |
69.1 |
1.2 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
70.3 |
1.2 |
0.661 |
0 |
0 |
0 |
0.000 |
18 |
39 |
|
[NAD]A:601 |
10 |
1 |
866 |
f |
[PYR]A:603 |
x,y,z |
1_555 |
6 |
1 |
217 |
60.1 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.005 |
40 |
|
[NAD]B:1601 |
10 |
1 |
870 |
f |
[PYR]B:1603 |
x,y,z |
1_555 |
6 |
1 |
216 |
59.8 |
-0.1 |
0.687 |
0 |
0 |
0 |
0.005 |
41 |
|
[NAD]D:3601 |
10 |
1 |
866 |
f |
[PYR]D:3603 |
x,y,z |
1_555 |
6 |
1 |
217 |
59.1 |
-0.1 |
0.694 |
0 |
0 |
0 |
0.005 |
42 |
|
[NAD]C:2601 |
10 |
1 |
865 |
f |
[PYR]C:2603 |
x,y,z |
1_555 |
6 |
1 |
215 |
58.6 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.005 |
Average: |
59.4 |
-0.1 |
0.684 |
0 |
0 |
0 |
0.005 |
19 |
43 |
|
[MN]A:604 |
1 |
1 |
123 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
23232 |
46.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
44 |
|
[MN]D:3604 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
23300 |
45.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
45 |
|
[MN]C:2604 |
1 |
1 |
123 |
f |
C |
x,y,z |
1_555 |
11 |
8 |
23299 |
44.9 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
46 |
|
[MN]B:1604 |
1 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
11 |
8 |
23340 |
44.0 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
45.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.124 |
20 |
47 |
|
C |
4 |
3 |
23299 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
5 |
2 |
23340 |
34.1 |
-0.7 |
0.353 |
0 |
0 |
0 |
0.000 |
21 |
48 |
|
[PYR]B:1603 |
4 |
1 |
216 |
f |
[MN]B:1604 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
49 |
|
[PYR]C:2603 |
4 |
1 |
215 |
f |
[MN]C:2604 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
50 |
|
[PYR]A:603 |
4 |
1 |
217 |
f |
[MN]A:604 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
51 |
|
[PYR]D:3603 |
4 |
1 |
217 |
f |
[MN]D:3604 |
x,y,z |
1_555 |
1 |
1 |
123 |
30.0 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
30.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.045 |
22 |
52 |
|
[NAD]A:601 |
4 |
1 |
866 |
f |
[MN]A:604 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.035 |
53 |
|
[NAD]C:2601 |
4 |
1 |
865 |
f |
[MN]C:2604 |
x,y,z |
1_555 |
1 |
1 |
123 |
18.2 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.035 |
54 |
|
[NAD]D:3601 |
4 |
1 |
866 |
f |
[MN]D:3604 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.9 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.035 |
55 |
|
[NAD]B:1601 |
4 |
1 |
870 |
f |
[MN]B:1604 |
x,y,z |
1_555 |
1 |
1 |
123 |
17.7 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.035 |
Average: |
18.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.035 |
23 |
56 |
|
D |
2 |
2 |
23300 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
23340 |
6.0 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
57 |
|
C |
1 |
1 |
23299 |
◊ |
A |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
23232 |
4.6 |
-0.1 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
5.3 |
-0.2 |
0.341 |
0 |
0 |
0 |
0.000 |
24 |
58 |
|
D |
1 |
1 |
23300 |
◊ |
D |
-x,y,-z |
2_555 |
1 |
1 |
23300 |
5.5 |
0.1 |
0.802 |
0 |
0 |
0 |
0.000 |
25 |
59 |
|
[NAD]B:1602 |
2 |
1 |
760 |
◊ |
[NAD]C:2602 |
x,y,z |
1_555 |
1 |
1 |
803 |
5.4 |
-0.4 |
0.332 |
0 |
0 |
0 |
0.006 |
26 |
60 |
|
A |
1 |
1 |
23232 |
◊ |
B |
-x+1/2,y-1/2,-z+1 |
4_546 |
1 |
1 |
23340 |
1.3 |
0.1 |
0.747 |
0 |
0 |
0 |
0.000 |
61 |
|
C |
1 |
1 |
23299 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
23300 |
0.3 |
0.0 |
0.678 |
0 |
0 |
0 |
0.000 |
Average: |
0.8 |
0.0 |
0.713 |
0 |
0 |
0 |
0.000 |
27 |
62 |
|
[NAD]D:3601 |
1 |
1 |
866 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
23299 |
0.5 |
0.0 |
0.649 |
0 |
0 |
0 |
0.000 |
|