## |
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 |
|
P |
84 |
23 |
7361 |
◊ |
D |
x,y,z |
1_555 |
87 |
24 |
8219 |
809.9 |
-11.4 |
0.030 |
3 |
1 |
0 |
0.259 |
2 |
|
M |
88 |
23 |
7241 |
◊ |
A |
x,y,z |
1_555 |
89 |
24 |
8262 |
805.3 |
-11.8 |
0.022 |
3 |
0 |
0 |
0.259 |
3 |
|
R |
85 |
23 |
7387 |
◊ |
F |
x,y,z |
1_555 |
84 |
23 |
8241 |
797.9 |
-9.4 |
0.066 |
4 |
1 |
0 |
0.259 |
4 |
|
N |
86 |
22 |
7411 |
◊ |
B |
x,y,z |
1_555 |
82 |
24 |
8235 |
795.2 |
-11.6 |
0.025 |
3 |
0 |
0 |
0.259 |
5 |
|
O |
78 |
21 |
7104 |
◊ |
C |
x,y,z |
1_555 |
79 |
23 |
8322 |
782.3 |
-10.5 |
0.036 |
4 |
1 |
0 |
0.259 |
6 |
|
Q |
84 |
21 |
7296 |
◊ |
E |
x,y,z |
1_555 |
80 |
23 |
8371 |
774.5 |
-11.7 |
0.022 |
2 |
1 |
0 |
0.259 |
Average: |
794.2 |
-11.1 |
0.034 |
3 |
1 |
0 |
0.259 |
2 |
7 |
|
D |
80 |
21 |
8219 |
◊ |
A |
x,y,z |
1_555 |
83 |
20 |
8262 |
774.5 |
-0.7 |
0.551 |
16 |
1 |
0 |
0.000 |
8 |
|
E |
77 |
20 |
8371 |
◊ |
B |
x,y,z |
1_555 |
76 |
19 |
8235 |
688.8 |
-0.6 |
0.533 |
10 |
0 |
0 |
0.000 |
9 |
|
F |
73 |
20 |
8241 |
◊ |
C |
x,y,z |
1_555 |
69 |
20 |
8322 |
647.9 |
-1.8 |
0.452 |
11 |
0 |
0 |
0.000 |
Average: |
703.8 |
-1.1 |
0.512 |
12 |
0 |
0 |
0.000 |
3 |
10 |
|
D |
49 |
14 |
8219 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
47 |
12 |
8241 |
395.6 |
0.1 |
0.595 |
1 |
9 |
0 |
0.000 |
4 |
11 |
|
[GTP]F:1181 |
29 |
1 |
644 |
f |
F |
x,y,z |
1_555 |
59 |
24 |
8241 |
395.5 |
-3.4 |
0.500 |
22 |
0 |
0 |
0.251 |
12 |
|
[GTP]C:1181 |
30 |
1 |
645 |
f |
C |
x,y,z |
1_555 |
58 |
23 |
8322 |
393.1 |
-3.3 |
0.498 |
19 |
0 |
0 |
0.251 |
13 |
|
[GTP]E:1181 |
29 |
1 |
644 |
f |
E |
x,y,z |
1_555 |
58 |
24 |
8371 |
392.6 |
-3.2 |
0.477 |
21 |
0 |
0 |
0.251 |
14 |
|
[GTP]A:1181 |
29 |
1 |
644 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
8262 |
392.0 |
-3.3 |
0.492 |
20 |
0 |
0 |
0.251 |
15 |
|
[GTP]D:1181 |
29 |
1 |
645 |
f |
D |
x,y,z |
1_555 |
59 |
24 |
8219 |
391.9 |
-3.0 |
0.512 |
22 |
0 |
0 |
0.251 |
16 |
|
[GTP]B:1181 |
29 |
1 |
644 |
f |
B |
x,y,z |
1_555 |
58 |
24 |
8235 |
389.7 |
-2.9 |
0.520 |
20 |
0 |
0 |
0.251 |
Average: |
392.4 |
-3.2 |
0.500 |
21 |
0 |
0 |
0.251 |
5 |
17 |
|
O |
37 |
11 |
7104 |
◊ |
B |
x,y,z |
1_555 |
33 |
11 |
8235 |
320.8 |
-0.1 |
0.540 |
5 |
2 |
0 |
0.000 |
18 |
|
D |
37 |
11 |
8219 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
40 |
10 |
7387 |
318.4 |
-0.4 |
0.507 |
4 |
1 |
0 |
0.000 |
19 |
|
A |
35 |
10 |
8262 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
36 |
10 |
7296 |
318.3 |
-0.5 |
0.491 |
5 |
1 |
0 |
0.000 |
20 |
|
P |
40 |
10 |
7361 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
33 |
10 |
8241 |
316.7 |
-0.0 |
0.540 |
5 |
1 |
0 |
0.000 |
21 |
|
N |
38 |
11 |
7411 |
◊ |
C |
x,y,z |
1_555 |
33 |
11 |
8322 |
313.1 |
-0.2 |
0.511 |
5 |
1 |
0 |
0.000 |
22 |
|
M |
40 |
10 |
7241 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
33 |
10 |
8371 |
309.2 |
-0.3 |
0.488 |
4 |
0 |
0 |
0.000 |
Average: |
316.1 |
-0.3 |
0.513 |
5 |
1 |
0 |
0.000 |
6 |
23 |
|
D |
34 |
9 |
8219 |
◊ |
R |
-x+1,y-1/2,-z |
2_645 |
25 |
7 |
7387 |
268.0 |
0.7 |
0.500 |
4 |
1 |
0 |
0.000 |
7 |
24 |
|
E |
29 |
8 |
8371 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
8 |
8322 |
246.4 |
3.8 |
0.899 |
4 |
9 |
0 |
0.000 |
8 |
25 |
|
B |
29 |
8 |
8235 |
◊ |
A |
x,y,z |
1_555 |
26 |
9 |
8262 |
238.1 |
4.3 |
0.922 |
2 |
2 |
0 |
0.000 |
9 |
26 |
|
Q |
24 |
8 |
7296 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
29 |
10 |
8322 |
234.3 |
0.9 |
0.683 |
5 |
5 |
0 |
0.000 |
27 |
|
E |
33 |
10 |
8371 |
◊ |
O |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
9 |
7104 |
224.9 |
0.4 |
0.606 |
3 |
3 |
0 |
0.000 |
Average: |
229.6 |
0.7 |
0.645 |
4 |
4 |
0 |
0.000 |
10 |
28 |
|
P |
15 |
5 |
7361 |
◊ |
F |
-x+1,y-1/2,-z |
2_645 |
20 |
8 |
8241 |
173.2 |
0.4 |
0.525 |
2 |
2 |
0 |
0.000 |
11 |
29 |
|
O |
17 |
3 |
7104 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
8371 |
159.7 |
1.2 |
0.563 |
4 |
0 |
0 |
0.000 |
30 |
|
A |
18 |
6 |
8262 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
17 |
3 |
7387 |
155.7 |
1.1 |
0.574 |
4 |
0 |
0 |
0.000 |
31 |
|
P |
16 |
3 |
7361 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
18 |
6 |
8322 |
154.7 |
1.2 |
0.597 |
5 |
0 |
0 |
0.000 |
32 |
|
M |
17 |
3 |
7241 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
18 |
6 |
8235 |
154.7 |
0.0 |
0.515 |
2 |
0 |
0 |
0.000 |
33 |
|
N |
15 |
3 |
7411 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
8241 |
149.8 |
1.0 |
0.580 |
2 |
0 |
0 |
0.000 |
34 |
|
D |
19 |
6 |
8219 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
14 |
3 |
7296 |
138.0 |
1.3 |
0.670 |
2 |
0 |
0 |
0.000 |
Average: |
152.1 |
1.0 |
0.583 |
3 |
0 |
0 |
0.000 |
12 |
35 |
|
[EDO]E:1183 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
18 |
7 |
8371 |
115.9 |
3.6 |
0.435 |
3 |
0 |
0 |
0.000 |
13 |
36 |
|
[SO4]Q:2064 |
5 |
1 |
184 |
f |
Q |
x,y,z |
1_555 |
13 |
6 |
7296 |
100.5 |
-14.8 |
0.820 |
8 |
0 |
0 |
0.369 |
14 |
37 |
|
[SO4]P:2064 |
5 |
1 |
185 |
f |
P |
x,y,z |
1_555 |
16 |
6 |
7361 |
100.1 |
-15.0 |
0.770 |
7 |
0 |
0 |
0.348 |
15 |
38 |
|
[EDO]O:2063 |
4 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
8235 |
99.7 |
2.5 |
0.376 |
1 |
0 |
0 |
0.000 |
16 |
39 |
|
[SO4]N:2064 |
5 |
1 |
184 |
f |
N |
x,y,z |
1_555 |
16 |
6 |
7411 |
99.6 |
-15.4 |
0.728 |
7 |
0 |
0 |
0.345 |
17 |
40 |
|
[SO4]M:2064 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
15 |
6 |
7241 |
99.5 |
-15.4 |
0.696 |
6 |
0 |
0 |
0.376 |
41 |
|
[SO4]O:2062 |
5 |
1 |
185 |
f |
O |
x,y,z |
1_555 |
15 |
6 |
7104 |
95.3 |
-14.9 |
0.715 |
7 |
0 |
0 |
0.376 |
Average: |
97.4 |
-15.2 |
0.706 |
7 |
0 |
0 |
0.376 |
18 |
42 |
|
P |
10 |
2 |
7361 |
◊ |
R |
-x,y-1/2,-z |
2_545 |
9 |
2 |
7387 |
97.6 |
-0.7 |
0.429 |
0 |
0 |
0 |
0.000 |
43 |
|
M |
10 |
2 |
7241 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
11 |
3 |
7296 |
69.1 |
-0.9 |
0.417 |
1 |
0 |
0 |
0.000 |
44 |
|
O |
9 |
2 |
7104 |
◊ |
N |
x,y,z |
1_555 |
8 |
2 |
7411 |
67.0 |
-0.9 |
0.362 |
0 |
0 |
0 |
0.000 |
Average: |
77.9 |
-0.8 |
0.403 |
0 |
0 |
0 |
0.000 |
19 |
45 |
|
[EDO]C:1183 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
8322 |
97.4 |
2.4 |
0.399 |
3 |
0 |
0 |
0.000 |
20 |
46 |
|
[SO4]R:2064 |
5 |
1 |
185 |
f |
R |
x,y,z |
1_555 |
14 |
6 |
7387 |
94.2 |
-14.5 |
0.694 |
4 |
0 |
0 |
0.100 |
21 |
47 |
|
[DIO]B:1183 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
8235 |
88.6 |
2.6 |
0.117 |
1 |
0 |
0 |
0.000 |
22 |
48 |
|
[DIO]B:1183 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
15 |
4 |
8371 |
87.1 |
2.5 |
0.113 |
1 |
0 |
0 |
0.000 |
23 |
49 |
|
[DIO]A:1183 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
8262 |
86.6 |
2.7 |
0.073 |
1 |
0 |
0 |
0.000 |
24 |
50 |
|
[DIO]A:1183 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
14 |
4 |
8219 |
85.9 |
2.6 |
0.073 |
1 |
0 |
0 |
0.000 |
25 |
51 |
|
[DIO]F:1183 |
6 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
16 |
4 |
8241 |
85.1 |
2.7 |
0.079 |
0 |
0 |
0 |
0.000 |
26 |
52 |
|
[DIO]F:1183 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
8322 |
84.2 |
2.6 |
0.075 |
0 |
0 |
0 |
0.000 |
27 |
53 |
|
N |
10 |
4 |
7411 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8262 |
84.1 |
-0.0 |
0.459 |
2 |
4 |
0 |
0.000 |
54 |
|
M |
9 |
3 |
7241 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
8235 |
77.8 |
0.1 |
0.506 |
1 |
3 |
0 |
0.000 |
Average: |
81.0 |
0.0 |
0.483 |
2 |
4 |
0 |
0.000 |
28 |
55 |
|
[EDO]O:2063 |
4 |
1 |
183 |
f |
O |
x,y,z |
1_555 |
6 |
3 |
7104 |
66.9 |
2.0 |
0.905 |
2 |
0 |
0 |
0.000 |
29 |
56 |
|
M |
7 |
4 |
7241 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
8371 |
52.9 |
0.7 |
0.737 |
1 |
0 |
0 |
0.000 |
30 |
57 |
|
N |
5 |
3 |
7411 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
8219 |
52.0 |
0.3 |
0.626 |
1 |
0 |
0 |
0.000 |
31 |
58 |
|
P |
4 |
3 |
7361 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
8 |
2 |
8322 |
41.2 |
0.5 |
0.689 |
1 |
0 |
0 |
0.000 |
32 |
59 |
|
[MG]F:1182 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
13 |
8 |
8241 |
39.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.123 |
60 |
|
[MG]D:1182 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
8219 |
39.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
61 |
|
[MG]B:1182 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
8235 |
39.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
62 |
|
[MG]C:1182 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
8322 |
39.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
63 |
|
[MG]A:1182 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
8262 |
38.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
64 |
|
[MG]E:1182 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
8371 |
38.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
Average: |
39.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.123 |
33 |
65 |
|
[MG]B:1182 |
1 |
1 |
98 |
f |
[GTP]B:1181 |
x,y,z |
1_555 |
5 |
1 |
644 |
34.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
66 |
|
[MG]E:1182 |
1 |
1 |
98 |
f |
[GTP]E:1181 |
x,y,z |
1_555 |
4 |
1 |
644 |
34.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
67 |
|
[MG]D:1182 |
1 |
1 |
98 |
f |
[GTP]D:1181 |
x,y,z |
1_555 |
4 |
1 |
645 |
34.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
68 |
|
[MG]C:1182 |
1 |
1 |
98 |
f |
[GTP]C:1181 |
x,y,z |
1_555 |
4 |
1 |
645 |
34.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
69 |
|
[MG]A:1182 |
1 |
1 |
98 |
f |
[GTP]A:1181 |
x,y,z |
1_555 |
4 |
1 |
644 |
33.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
70 |
|
[MG]F:1182 |
1 |
1 |
98 |
f |
[GTP]F:1181 |
x,y,z |
1_555 |
5 |
1 |
644 |
33.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.097 |
Average: |
34.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.097 |
|