## |
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 |
315 |
81 |
20255 |
◊ |
A |
x,y,z |
1_555 |
315 |
80 |
19983 |
2984.0 |
-36.2 |
0.032 |
37 |
2 |
0 |
0.403 |
2 |
|
D |
310 |
80 |
20145 |
◊ |
C |
x,y,z |
1_555 |
310 |
81 |
20004 |
2962.2 |
-36.5 |
0.028 |
38 |
2 |
0 |
0.403 |
Average: |
2973.1 |
-36.4 |
0.030 |
38 |
2 |
0 |
0.403 |
2 |
3 |
|
C |
192 |
54 |
20004 |
◊ |
A |
x,y,z |
1_555 |
192 |
54 |
19983 |
1732.3 |
-5.5 |
0.720 |
24 |
7 |
0 |
0.175 |
4 |
|
D |
190 |
53 |
20145 |
◊ |
B |
x,y,z |
1_555 |
196 |
53 |
20255 |
1717.9 |
-5.8 |
0.691 |
23 |
7 |
0 |
0.175 |
Average: |
1725.1 |
-5.6 |
0.706 |
24 |
7 |
0 |
0.175 |
3 |
5 |
|
D |
66 |
19 |
20145 |
◊ |
D |
-x,y,-z+1 |
2_556 |
64 |
19 |
20145 |
603.7 |
-6.2 |
0.315 |
2 |
0 |
0 |
0.000 |
4 |
6 |
|
A |
65 |
19 |
19983 |
◊ |
A |
-x+1,y,-z |
2_655 |
65 |
19 |
19983 |
599.4 |
-6.5 |
0.299 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
[NAD]C:504 |
43 |
1 |
859 |
f |
C |
x,y,z |
1_555 |
68 |
30 |
20004 |
518.3 |
-6.1 |
0.432 |
15 |
0 |
0 |
0.256 |
8 |
|
[NAD]A:504 |
43 |
1 |
859 |
f |
A |
x,y,z |
1_555 |
68 |
31 |
19983 |
517.1 |
-5.3 |
0.508 |
16 |
0 |
0 |
0.256 |
9 |
|
[NAD]B:506 |
42 |
1 |
851 |
f |
B |
x,y,z |
1_555 |
71 |
31 |
20255 |
516.8 |
-5.5 |
0.514 |
15 |
0 |
0 |
0.256 |
10 |
|
[NAD]D:505 |
42 |
1 |
855 |
f |
D |
x,y,z |
1_555 |
69 |
31 |
20145 |
514.7 |
-5.5 |
0.508 |
16 |
0 |
0 |
0.256 |
Average: |
516.7 |
-5.6 |
0.490 |
16 |
0 |
0 |
0.256 |
6 |
11 |
|
D |
51 |
19 |
20145 |
◊ |
B |
-x,y,-z |
2_555 |
39 |
11 |
20255 |
423.4 |
-1.9 |
0.567 |
2 |
3 |
0 |
0.000 |
7 |
12 |
|
D |
47 |
16 |
20145 |
◊ |
A |
x,y,z |
1_555 |
47 |
16 |
19983 |
396.8 |
-5.5 |
0.208 |
1 |
1 |
0 |
0.038 |
13 |
|
C |
49 |
16 |
20004 |
◊ |
B |
x,y,z |
1_555 |
49 |
16 |
20255 |
389.4 |
-6.2 |
0.178 |
1 |
0 |
0 |
0.038 |
Average: |
393.1 |
-5.8 |
0.193 |
1 |
1 |
0 |
0.038 |
8 |
14 |
|
D |
35 |
14 |
20145 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
51 |
13 |
20004 |
386.1 |
-0.7 |
0.672 |
5 |
1 |
0 |
0.000 |
9 |
15 |
|
A |
32 |
11 |
19983 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
47 |
14 |
20255 |
377.7 |
-1.2 |
0.607 |
1 |
1 |
0 |
0.000 |
10 |
16 |
|
C |
28 |
10 |
20004 |
x |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
32 |
12 |
20004 |
306.8 |
-0.0 |
0.687 |
2 |
1 |
0 |
0.000 |
11 |
17 |
|
B |
27 |
8 |
20255 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
23 |
10 |
19983 |
221.7 |
-1.0 |
0.575 |
1 |
0 |
0 |
0.000 |
12 |
18 |
|
[NAD]D:505 |
15 |
1 |
855 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
20004 |
158.4 |
-2.0 |
0.520 |
3 |
0 |
0 |
0.049 |
19 |
|
[NAD]B:506 |
15 |
1 |
851 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
19983 |
157.7 |
-2.0 |
0.511 |
3 |
0 |
0 |
0.049 |
20 |
|
[NAD]C:504 |
15 |
1 |
859 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
20145 |
157.4 |
-1.9 |
0.516 |
3 |
0 |
0 |
0.049 |
21 |
|
[NAD]A:504 |
15 |
1 |
859 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
20255 |
156.8 |
-2.0 |
0.500 |
3 |
0 |
0 |
0.049 |
Average: |
157.6 |
-2.0 |
0.512 |
3 |
0 |
0 |
0.049 |
13 |
22 |
|
C |
16 |
6 |
20004 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
16 |
6 |
20145 |
146.3 |
1.0 |
0.790 |
2 |
0 |
0 |
0.000 |
14 |
23 |
|
B |
14 |
5 |
20255 |
◊ |
C |
x,y,z-1 |
1_554 |
12 |
4 |
20004 |
143.6 |
-3.5 |
0.092 |
0 |
0 |
0 |
0.000 |
15 |
24 |
|
B |
15 |
6 |
20255 |
x |
B |
-x+1/2,y-1/2,-z |
4_545 |
18 |
7 |
20255 |
133.5 |
0.3 |
0.665 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[ADE]D:506 |
10 |
1 |
271 |
f |
D |
x,y,z |
1_555 |
29 |
15 |
20145 |
130.6 |
3.2 |
0.523 |
4 |
0 |
0 |
0.000 |
26 |
|
[ADE]A:505 |
10 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
31 |
14 |
19983 |
130.3 |
3.3 |
0.534 |
4 |
0 |
0 |
0.000 |
27 |
|
[ADE]B:507 |
10 |
1 |
272 |
f |
B |
x,y,z |
1_555 |
28 |
14 |
20255 |
129.8 |
3.3 |
0.528 |
4 |
0 |
0 |
0.000 |
28 |
|
[ADE]C:505 |
10 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
29 |
14 |
20004 |
129.5 |
3.3 |
0.549 |
4 |
0 |
0 |
0.000 |
Average: |
130.0 |
3.3 |
0.533 |
4 |
0 |
0 |
0.000 |
17 |
29 |
|
[PEG]B:505 |
7 |
1 |
262 |
◊ |
[PEG]B:505 |
-x,y,-z |
2_555 |
7 |
1 |
262 |
120.8 |
5.2 |
0.141 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
C |
14 |
5 |
20004 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
17 |
5 |
19983 |
111.5 |
-0.2 |
0.625 |
0 |
0 |
0 |
0.000 |
19 |
31 |
|
[RB]B:502 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20255 |
106.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.064 |
20 |
32 |
|
[RB]A:501 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
19983 |
102.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.151 |
33 |
|
[RB]D:501 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
19 |
9 |
20145 |
102.4 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.151 |
34 |
|
[RB]B:501 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
20 |
10 |
20255 |
101.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.151 |
35 |
|
[RB]C:501 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
20004 |
101.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.151 |
Average: |
102.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.151 |
21 |
36 |
|
[GOL]D:502 |
6 |
1 |
219 |
◊ |
B |
-x,y,-z |
2_555 |
12 |
6 |
20255 |
98.6 |
0.2 |
0.654 |
3 |
0 |
0 |
0.000 |
22 |
37 |
|
[PO4]A:503 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
19983 |
87.5 |
-5.9 |
0.651 |
1 |
0 |
0 |
0.065 |
23 |
38 |
|
[PO4]D:503 |
5 |
1 |
190 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
20145 |
87.0 |
-5.9 |
0.637 |
1 |
0 |
0 |
0.060 |
24 |
39 |
|
[PO4]C:503 |
5 |
1 |
192 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
20004 |
86.4 |
-5.7 |
0.650 |
1 |
0 |
0 |
0.063 |
25 |
40 |
|
[PO4]B:503 |
5 |
1 |
191 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
20255 |
86.3 |
-5.8 |
0.642 |
1 |
0 |
0 |
0.059 |
26 |
41 |
|
[GOL]D:502 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
20145 |
86.1 |
-0.9 |
0.474 |
1 |
0 |
0 |
0.013 |
27 |
42 |
|
[PO4]C:502 |
5 |
1 |
191 |
f |
C |
x,y,z |
1_555 |
22 |
12 |
20004 |
84.3 |
-6.1 |
0.719 |
3 |
0 |
0 |
0.076 |
28 |
43 |
|
[PO4]D:504 |
5 |
1 |
191 |
f |
D |
x,y,z |
1_555 |
21 |
11 |
20145 |
84.2 |
-6.0 |
0.738 |
3 |
0 |
0 |
0.070 |
29 |
44 |
|
[PO4]A:502 |
5 |
1 |
191 |
f |
A |
x,y,z |
1_555 |
21 |
12 |
19983 |
83.4 |
-5.9 |
0.740 |
3 |
0 |
0 |
0.074 |
30 |
45 |
|
[PO4]B:504 |
5 |
1 |
190 |
f |
B |
x,y,z |
1_555 |
23 |
12 |
20255 |
83.3 |
-5.9 |
0.736 |
3 |
0 |
0 |
0.068 |
31 |
46 |
|
[RB]B:502 |
1 |
1 |
216 |
◊ |
D |
-x,y,-z |
2_555 |
7 |
4 |
20145 |
59.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
47 |
|
[PEG]B:505 |
6 |
1 |
262 |
◊ |
B |
-x,y,-z |
2_555 |
4 |
1 |
20255 |
54.4 |
0.3 |
0.094 |
0 |
0 |
0 |
0.000 |
33 |
48 |
|
[PEG]B:505 |
6 |
1 |
262 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
20255 |
49.9 |
0.4 |
0.099 |
1 |
0 |
0 |
0.000 |
34 |
49 |
|
[PO4]D:503 |
3 |
1 |
190 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20255 |
42.8 |
-2.3 |
0.556 |
1 |
0 |
0 |
0.026 |
35 |
50 |
|
[PO4]C:503 |
3 |
1 |
192 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
19983 |
41.7 |
-2.3 |
0.545 |
1 |
0 |
0 |
0.028 |
36 |
51 |
|
[PO4]B:503 |
3 |
1 |
191 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20145 |
41.0 |
-2.2 |
0.564 |
1 |
0 |
0 |
0.025 |
37 |
52 |
|
[RB]D:501 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
20255 |
40.4 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
53 |
|
[RB]C:501 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
19983 |
40.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
54 |
|
[RB]A:501 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
20004 |
39.9 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.044 |
55 |
|
[RB]B:501 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
20145 |
39.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
Average: |
40.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.044 |
38 |
56 |
|
[PO4]A:503 |
3 |
1 |
191 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
20004 |
40.3 |
-2.2 |
0.572 |
1 |
0 |
0 |
0.027 |
39 |
57 |
|
[NAD]C:504 |
8 |
1 |
859 |
f |
[PO4]C:502 |
x,y,z |
1_555 |
4 |
1 |
191 |
36.4 |
-2.1 |
0.746 |
0 |
0 |
0 |
0.022 |
40 |
58 |
|
[NAD]A:504 |
8 |
1 |
859 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
191 |
36.1 |
-2.1 |
0.751 |
0 |
0 |
0 |
0.021 |
41 |
59 |
|
[NAD]D:505 |
7 |
1 |
855 |
f |
[PO4]D:504 |
x,y,z |
1_555 |
4 |
1 |
191 |
35.8 |
-2.1 |
0.735 |
0 |
0 |
0 |
0.020 |
42 |
60 |
|
[NAD]B:506 |
8 |
1 |
851 |
f |
[PO4]B:504 |
x,y,z |
1_555 |
4 |
1 |
190 |
35.4 |
-2.1 |
0.749 |
0 |
0 |
0 |
0.019 |
43 |
61 |
|
[ADE]B:507 |
4 |
1 |
272 |
f |
[PO4]B:504 |
x,y,z |
1_555 |
4 |
1 |
190 |
31.7 |
-1.1 |
0.366 |
1 |
0 |
0 |
0.015 |
44 |
62 |
|
[ADE]A:505 |
4 |
1 |
271 |
f |
[PO4]A:502 |
x,y,z |
1_555 |
4 |
1 |
191 |
31.6 |
-1.1 |
0.223 |
1 |
0 |
0 |
0.016 |
45 |
63 |
|
[ADE]D:506 |
4 |
1 |
271 |
f |
[PO4]D:504 |
x,y,z |
1_555 |
4 |
1 |
191 |
31.3 |
-1.1 |
0.223 |
1 |
0 |
0 |
0.015 |
46 |
64 |
|
[ADE]C:505 |
4 |
1 |
270 |
f |
[PO4]C:502 |
x,y,z |
1_555 |
4 |
1 |
191 |
30.8 |
-1.1 |
0.296 |
1 |
0 |
0 |
0.016 |
47 |
65 |
|
A |
4 |
2 |
19983 |
x |
A |
-x+1/2,y-1/2,-z |
4_545 |
2 |
2 |
19983 |
29.3 |
0.2 |
0.434 |
0 |
0 |
0 |
0.000 |
48 |
66 |
|
[ADE]B:507 |
2 |
1 |
272 |
f |
[RB]B:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
67 |
|
[ADE]D:506 |
2 |
1 |
271 |
f |
[RB]D:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
68 |
|
[ADE]C:505 |
2 |
1 |
270 |
f |
[RB]C:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
69 |
|
[ADE]A:505 |
2 |
1 |
271 |
f |
[RB]A:501 |
x,y,z |
1_555 |
1 |
1 |
216 |
25.8 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
26.1 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.013 |
49 |
70 |
|
C |
3 |
1 |
20004 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
3 |
1 |
20004 |
25.3 |
-0.7 |
0.257 |
0 |
0 |
0 |
0.000 |
50 |
71 |
|
[ADE]A:505 |
2 |
1 |
271 |
f |
[NAD]A:504 |
x,y,z |
1_555 |
4 |
1 |
859 |
21.6 |
0.8 |
0.571 |
0 |
0 |
0 |
0.000 |
72 |
|
[ADE]C:505 |
2 |
1 |
270 |
f |
[NAD]C:504 |
x,y,z |
1_555 |
3 |
1 |
859 |
21.6 |
0.8 |
0.573 |
0 |
0 |
0 |
0.000 |
73 |
|
[ADE]D:506 |
2 |
1 |
271 |
f |
[NAD]D:505 |
x,y,z |
1_555 |
4 |
1 |
855 |
21.6 |
0.8 |
0.570 |
0 |
0 |
0 |
0.000 |
74 |
|
[ADE]B:507 |
2 |
1 |
272 |
f |
[NAD]B:506 |
x,y,z |
1_555 |
3 |
1 |
851 |
21.1 |
0.8 |
0.571 |
0 |
0 |
0 |
0.000 |
Average: |
21.4 |
0.8 |
0.571 |
0 |
0 |
0 |
0.000 |
51 |
75 |
|
D |
3 |
1 |
20145 |
x |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
2 |
1 |
20145 |
11.2 |
-0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
52 |
76 |
|
D |
2 |
1 |
20145 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
19983 |
10.5 |
0.3 |
0.765 |
0 |
0 |
0 |
0.000 |
53 |
77 |
|
B |
1 |
1 |
20255 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
20255 |
4.8 |
-0.2 |
0.308 |
0 |
0 |
0 |
0.000 |
54 |
78 |
|
D |
1 |
1 |
20145 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
1 |
1 |
19983 |
0.9 |
0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
|