| ## |
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 |
|
D |
299 |
69 |
12460 |
◊ |
C |
x,y,z |
1_555 |
292 |
69 |
12449 |
2838.3 |
-29.4 |
0.333 |
35 |
4 |
0 |
0.518 |
2 |
|
H |
300 |
69 |
12437 |
◊ |
G |
x,y,z |
1_555 |
293 |
69 |
12702 |
2803.4 |
-26.7 |
0.409 |
29 |
6 |
0 |
0.518 |
3 |
|
L |
304 |
68 |
12705 |
◊ |
K |
x,y,z |
1_555 |
297 |
71 |
12230 |
2759.0 |
-29.6 |
0.333 |
35 |
6 |
0 |
0.518 |
4 |
|
F |
304 |
72 |
12580 |
◊ |
E |
x,y,z |
1_555 |
300 |
71 |
13056 |
2746.0 |
-29.5 |
0.366 |
35 |
7 |
0 |
0.518 |
5 |
|
B |
279 |
64 |
12416 |
◊ |
A |
x,y,z |
1_555 |
276 |
66 |
11961 |
2670.9 |
-27.3 |
0.340 |
35 |
7 |
0 |
0.518 |
6 |
|
J |
269 |
63 |
12032 |
◊ |
I |
x,y,z |
1_555 |
295 |
68 |
12444 |
2585.0 |
-30.3 |
0.258 |
26 |
5 |
0 |
0.518 |
| Average: |
2733.8 |
-28.8 |
0.340 |
33 |
6 |
0 |
0.518 |
| 2 |
7 |
|
D |
91 |
26 |
12460 |
◊ |
B |
x,y,z |
1_555 |
91 |
25 |
12416 |
831.5 |
-6.1 |
0.574 |
4 |
0 |
0 |
0.100 |
8 |
|
G |
80 |
27 |
12702 |
◊ |
E |
x,y,z |
1_555 |
86 |
26 |
13056 |
831.0 |
-7.9 |
0.372 |
5 |
0 |
0 |
0.100 |
9 |
|
K |
84 |
27 |
12230 |
◊ |
I |
x,y,z |
1_555 |
84 |
27 |
12444 |
813.7 |
-8.2 |
0.330 |
3 |
0 |
0 |
0.100 |
10 |
|
L |
81 |
25 |
12705 |
◊ |
J |
x,y,z |
1_555 |
89 |
27 |
12032 |
788.4 |
-9.7 |
0.317 |
0 |
0 |
0 |
0.100 |
11 |
|
H |
85 |
26 |
12437 |
◊ |
F |
x,y,z |
1_555 |
87 |
27 |
12580 |
786.6 |
-10.3 |
0.289 |
3 |
0 |
0 |
0.100 |
12 |
|
C |
72 |
24 |
12449 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
11961 |
683.9 |
-11.4 |
0.153 |
0 |
0 |
0 |
0.100 |
| Average: |
789.2 |
-8.9 |
0.339 |
3 |
0 |
0 |
0.100 |
| 3 |
13 |
|
C |
50 |
18 |
12449 |
◊ |
B |
x,y,z |
1_555 |
50 |
18 |
12416 |
489.5 |
-11.8 |
0.036 |
2 |
0 |
0 |
0.110 |
14 |
|
D |
50 |
16 |
12460 |
◊ |
A |
x,y,z |
1_555 |
50 |
16 |
11961 |
471.2 |
-8.6 |
0.129 |
4 |
0 |
0 |
0.110 |
15 |
|
H |
58 |
18 |
12437 |
◊ |
E |
x,y,z |
1_555 |
47 |
17 |
13056 |
464.1 |
-11.4 |
0.048 |
1 |
0 |
0 |
0.110 |
16 |
|
G |
45 |
16 |
12702 |
◊ |
F |
x,y,z |
1_555 |
47 |
18 |
12580 |
450.9 |
-11.4 |
0.035 |
2 |
0 |
0 |
0.110 |
17 |
|
K |
46 |
18 |
12230 |
◊ |
J |
x,y,z |
1_555 |
47 |
16 |
12032 |
446.7 |
-9.3 |
0.094 |
3 |
0 |
0 |
0.110 |
18 |
|
L |
49 |
18 |
12705 |
◊ |
I |
x,y,z |
1_555 |
58 |
20 |
12444 |
441.1 |
-10.1 |
0.088 |
1 |
0 |
0 |
0.110 |
| Average: |
460.6 |
-10.4 |
0.072 |
2 |
0 |
0 |
0.110 |
| 4 |
19 |
|
E |
38 |
7 |
13056 |
◊ |
D |
x,y,z |
1_555 |
44 |
12 |
12460 |
366.4 |
-0.8 |
0.668 |
3 |
1 |
0 |
0.000 |
| 5 |
20 |
|
L |
26 |
8 |
12705 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
35 |
10 |
12230 |
262.5 |
0.8 |
0.816 |
3 |
3 |
0 |
0.000 |
21 |
|
C |
25 |
7 |
12449 |
◊ |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
35 |
8 |
12702 |
257.1 |
-0.0 |
0.745 |
2 |
2 |
0 |
0.000 |
22 |
|
D |
35 |
9 |
12460 |
◊ |
H |
-x+2,y-1/2,-z+1/2 |
3_745 |
22 |
7 |
12437 |
250.2 |
-0.6 |
0.634 |
3 |
2 |
0 |
0.000 |
| Average: |
256.6 |
0.1 |
0.731 |
3 |
2 |
0 |
0.000 |
| 6 |
23 |
|
L |
24 |
5 |
12705 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
27 |
8 |
11961 |
229.2 |
-0.4 |
0.704 |
2 |
0 |
0 |
0.000 |
| 7 |
24 |
|
I |
29 |
10 |
12444 |
◊ |
A |
x,y,z |
1_555 |
28 |
9 |
11961 |
216.3 |
-1.4 |
0.610 |
1 |
0 |
0 |
0.000 |
| 8 |
25 |
|
E |
19 |
8 |
13056 |
◊ |
F |
x-1,y,z |
1_455 |
19 |
7 |
12580 |
193.6 |
-0.6 |
0.659 |
2 |
3 |
0 |
0.000 |
26 |
|
A |
17 |
6 |
11961 |
◊ |
B |
x-1,y,z |
1_455 |
20 |
9 |
12416 |
191.1 |
-1.2 |
0.511 |
3 |
2 |
0 |
0.000 |
27 |
|
J |
19 |
7 |
12032 |
◊ |
I |
x-1,y,z |
1_455 |
19 |
8 |
12444 |
190.6 |
-0.7 |
0.640 |
2 |
3 |
0 |
0.000 |
| Average: |
191.7 |
-0.9 |
0.603 |
2 |
3 |
0 |
0.000 |
| 9 |
28 |
|
K |
19 |
9 |
12230 |
x |
K |
x-1/2,-y+1/2,-z |
4_455 |
18 |
8 |
12230 |
176.4 |
-2.5 |
0.388 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
17 |
9 |
12460 |
x |
G |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
9 |
12702 |
174.1 |
-2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
30 |
|
D |
19 |
8 |
12460 |
x |
G |
-x+2,y-1/2,-z+1/2 |
3_745 |
15 |
7 |
12702 |
152.9 |
-3.1 |
0.228 |
0 |
0 |
0 |
0.000 |
| Average: |
167.8 |
-2.7 |
0.322 |
0 |
0 |
0 |
0.000 |
| 10 |
31 |
|
F |
13 |
4 |
12580 |
◊ |
C |
x,y,z |
1_555 |
22 |
9 |
12449 |
164.1 |
2.1 |
0.901 |
1 |
1 |
0 |
0.000 |
| 11 |
32 |
|
L |
20 |
7 |
12705 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
13056 |
161.4 |
-1.8 |
0.492 |
1 |
0 |
0 |
0.000 |
| 12 |
33 |
|
J |
22 |
7 |
12032 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
15 |
5 |
12580 |
156.7 |
2.6 |
0.917 |
2 |
2 |
0 |
0.000 |
| 13 |
34 |
|
E |
21 |
7 |
13056 |
x |
E |
x-1,y,z |
1_455 |
15 |
5 |
13056 |
151.3 |
-0.5 |
0.668 |
3 |
0 |
0 |
0.000 |
35 |
|
B |
16 |
5 |
12416 |
x |
B |
x-1,y,z |
1_455 |
21 |
6 |
12416 |
147.3 |
-0.5 |
0.682 |
4 |
0 |
0 |
0.000 |
36 |
|
I |
14 |
5 |
12444 |
x |
I |
x-1,y,z |
1_455 |
22 |
8 |
12444 |
146.8 |
-1.1 |
0.590 |
3 |
0 |
0 |
0.000 |
| Average: |
148.5 |
-0.7 |
0.647 |
3 |
0 |
0 |
0.000 |
| 14 |
37 |
|
K |
17 |
6 |
12230 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
16 |
6 |
11961 |
135.6 |
0.2 |
0.740 |
0 |
1 |
0 |
0.000 |
| 15 |
38 |
|
[PO4]C:502 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
12449 |
107.8 |
-8.8 |
0.739 |
11 |
0 |
0 |
0.153 |
| 16 |
39 |
|
[PO4]J:1202 |
5 |
1 |
187 |
f |
J |
x,y,z |
1_555 |
20 |
7 |
12032 |
107.7 |
-8.7 |
0.737 |
13 |
0 |
0 |
0.152 |
| 17 |
40 |
|
[PO4]D:602 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
12460 |
107.5 |
-8.8 |
0.740 |
10 |
0 |
0 |
0.154 |
41 |
|
[PO4]A:302 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
11961 |
105.1 |
-8.8 |
0.735 |
10 |
0 |
0 |
0.154 |
| Average: |
106.3 |
-8.8 |
0.737 |
10 |
0 |
0 |
0.154 |
| 18 |
42 |
|
[PO4]L:1402 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
16 |
7 |
12705 |
107.0 |
-8.6 |
0.736 |
10 |
0 |
0 |
0.290 |
43 |
|
[PO4]K:1302 |
5 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
16 |
7 |
12230 |
106.6 |
-8.7 |
0.746 |
10 |
0 |
0 |
0.290 |
44 |
|
[PO4]F:802 |
5 |
1 |
186 |
f |
F |
x,y,z |
1_555 |
17 |
7 |
12580 |
106.4 |
-8.7 |
0.743 |
10 |
0 |
0 |
0.290 |
| Average: |
106.7 |
-8.7 |
0.742 |
10 |
0 |
0 |
0.290 |
| 19 |
45 |
|
[PO4]B:402 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
12416 |
106.8 |
-8.9 |
0.728 |
8 |
0 |
0 |
0.144 |
46 |
|
[PO4]E:702 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
13056 |
105.8 |
-8.7 |
0.744 |
8 |
0 |
0 |
0.144 |
| Average: |
106.3 |
-8.8 |
0.736 |
8 |
0 |
0 |
0.144 |
| 20 |
47 |
|
[PO4]I:1102 |
5 |
1 |
186 |
f |
I |
x,y,z |
1_555 |
18 |
7 |
12444 |
106.5 |
-8.8 |
0.739 |
10 |
0 |
0 |
0.139 |
| 21 |
48 |
|
[PO4]H:1002 |
5 |
1 |
186 |
f |
H |
x,y,z |
1_555 |
17 |
7 |
12437 |
106.1 |
-8.7 |
0.741 |
10 |
0 |
0 |
0.157 |
| 22 |
49 |
|
[PO4]G:902 |
5 |
1 |
186 |
f |
G |
x,y,z |
1_555 |
15 |
7 |
12702 |
105.9 |
-8.7 |
0.736 |
9 |
0 |
0 |
0.152 |
| 23 |
50 |
|
J |
19 |
4 |
12032 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
11 |
2 |
12437 |
102.7 |
-1.4 |
0.442 |
0 |
0 |
0 |
0.000 |
| 24 |
51 |
|
[PO4]A:301 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
18 |
9 |
11961 |
100.4 |
-6.3 |
0.780 |
4 |
0 |
0 |
0.187 |
52 |
|
[PO4]J:1201 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
16 |
9 |
12032 |
98.0 |
-6.1 |
0.783 |
8 |
0 |
0 |
0.187 |
53 |
|
[PO4]F:801 |
5 |
1 |
187 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
12580 |
97.3 |
-6.0 |
0.791 |
5 |
0 |
0 |
0.187 |
54 |
|
[PO4]I:1101 |
5 |
1 |
187 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
12444 |
96.3 |
-5.9 |
0.785 |
5 |
0 |
0 |
0.187 |
| Average: |
98.0 |
-6.1 |
0.785 |
6 |
0 |
0 |
0.187 |
| 25 |
55 |
|
[PO4]H:1001 |
5 |
1 |
188 |
f |
H |
x,y,z |
1_555 |
15 |
9 |
12437 |
98.2 |
-6.2 |
0.787 |
6 |
0 |
0 |
0.107 |
| 26 |
56 |
|
[PO4]D:601 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
15 |
9 |
12460 |
97.1 |
-6.1 |
0.791 |
7 |
0 |
0 |
0.102 |
| 27 |
57 |
|
[PO4]E:701 |
5 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
17 |
9 |
13056 |
97.0 |
-6.1 |
0.787 |
7 |
0 |
0 |
0.103 |
58 |
|
[PO4]L:1401 |
5 |
1 |
186 |
f |
L |
x,y,z |
1_555 |
15 |
9 |
12705 |
96.5 |
-6.1 |
0.780 |
7 |
0 |
0 |
0.103 |
59 |
|
[PO4]B:401 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
12416 |
95.6 |
-5.8 |
0.788 |
6 |
0 |
0 |
0.103 |
| Average: |
96.4 |
-6.0 |
0.785 |
7 |
0 |
0 |
0.103 |
| 28 |
60 |
|
[PO4]J:1203 |
5 |
1 |
188 |
f |
J |
x,y,z |
1_555 |
14 |
4 |
12032 |
96.8 |
-5.9 |
0.803 |
2 |
0 |
0 |
0.072 |
| 29 |
61 |
|
[PO4]C:501 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
15 |
9 |
12449 |
96.3 |
-5.8 |
0.788 |
5 |
0 |
0 |
0.090 |
| 30 |
62 |
|
[PO4]K:1301 |
5 |
1 |
186 |
f |
K |
x,y,z |
1_555 |
17 |
9 |
12230 |
95.4 |
-5.9 |
0.794 |
6 |
0 |
0 |
0.095 |
| 31 |
63 |
|
[PO4]G:901 |
5 |
1 |
188 |
f |
G |
x,y,z |
1_555 |
14 |
10 |
12702 |
95.4 |
-5.9 |
0.790 |
5 |
0 |
0 |
0.097 |
| 32 |
64 |
|
I |
10 |
5 |
12444 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
4 |
12416 |
92.4 |
0.1 |
0.728 |
1 |
0 |
0 |
0.000 |
| 33 |
65 |
|
E |
14 |
6 |
13056 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
12449 |
84.0 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
| 34 |
66 |
|
J |
6 |
2 |
12032 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
10 |
4 |
12702 |
77.7 |
-0.8 |
0.509 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
I |
4 |
1 |
12444 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
10 |
2 |
12437 |
69.7 |
0.1 |
0.705 |
0 |
2 |
0 |
0.000 |
| 36 |
68 |
|
C |
6 |
1 |
12449 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
3 |
11961 |
44.4 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
69 |
|
L |
5 |
1 |
12705 |
◊ |
J |
x-1,y,z |
1_455 |
5 |
3 |
12032 |
40.5 |
-0.6 |
0.467 |
0 |
0 |
0 |
0.000 |
70 |
|
F |
4 |
2 |
12580 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
12437 |
24.9 |
-0.5 |
0.377 |
0 |
0 |
0 |
0.000 |
| Average: |
36.6 |
-0.6 |
0.439 |
0 |
0 |
0 |
0.000 |
| 37 |
71 |
|
B |
5 |
2 |
12416 |
◊ |
H |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
2 |
12437 |
42.5 |
-0.4 |
0.424 |
0 |
0 |
0 |
0.000 |
| 38 |
72 |
|
J |
5 |
2 |
12032 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
1 |
12449 |
40.4 |
-0.1 |
0.566 |
0 |
0 |
0 |
0.000 |
| 39 |
73 |
|
L |
9 |
3 |
12705 |
◊ |
A |
x-1,y,z |
1_455 |
5 |
2 |
11961 |
37.4 |
-0.4 |
0.555 |
0 |
0 |
0 |
0.000 |
| 40 |
74 |
|
K |
6 |
2 |
12230 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
5 |
2 |
13056 |
35.8 |
0.5 |
0.806 |
1 |
1 |
0 |
0.000 |
| 41 |
75 |
|
C |
4 |
2 |
12449 |
◊ |
F |
x-1,y,z |
1_455 |
4 |
2 |
12580 |
18.0 |
0.7 |
0.853 |
0 |
0 |
0 |
0.000 |
| 42 |
76 |
|
F |
1 |
1 |
12580 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12460 |
9.5 |
0.5 |
0.907 |
0 |
0 |
0 |
0.000 |
| 43 |
77 |
|
I |
1 |
1 |
12444 |
◊ |
A |
x-1,y,z |
1_455 |
2 |
1 |
11961 |
7.5 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
| 44 |
78 |
|
I |
3 |
1 |
12444 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12416 |
7.4 |
0.3 |
0.785 |
0 |
0 |
0 |
0.000 |
| 45 |
79 |
|
I |
1 |
1 |
12444 |
◊ |
F |
-x+1/2,-y,z-1/2 |
2_554 |
3 |
1 |
12580 |
5.6 |
0.2 |
0.774 |
0 |
0 |
0 |
0.000 |
| 46 |
80 |
|
[PO4]J:1202 |
1 |
1 |
187 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
12444 |
4.9 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.004 |
| 47 |
81 |
|
[PO4]J:1203 |
1 |
1 |
188 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
12444 |
4.3 |
-0.1 |
0.827 |
0 |
0 |
0 |
0.000 |
| 48 |
82 |
|
L |
1 |
1 |
12705 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
12416 |
3.7 |
-0.0 |
0.652 |
0 |
0 |
0 |
0.000 |
| 49 |
83 |
|
[PO4]K:1302 |
1 |
1 |
186 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
12705 |
2.0 |
-0.1 |
0.628 |
0 |
0 |
0 |
0.002 |
| 50 |
84 |
|
J |
1 |
1 |
12032 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
12580 |
1.5 |
0.0 |
0.735 |
0 |
0 |
0 |
0.000 |
| 51 |
85 |
|
L |
1 |
1 |
12705 |
◊ |
K |
x-1,y,z |
1_455 |
1 |
1 |
12230 |
0.9 |
-0.0 |
0.632 |
0 |
0 |
0 |
0.000 |
| 52 |
86 |
|
I |
1 |
1 |
12444 |
◊ |
F |
-x+3/2,-y,z-1/2 |
2_654 |
1 |
1 |
12580 |
0.7 |
-0.0 |
0.638 |
0 |
0 |
0 |
0.000 |
| 53 |
87 |
|
[PO4]H:1002 |
1 |
1 |
186 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12702 |
0.2 |
-0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
|