## |
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 |
|
C |
217 |
56 |
23972 |
◊ |
B |
x,y,z |
1_555 |
214 |
55 |
24313 |
2133.0 |
-10.0 |
0.419 |
30 |
6 |
0 |
0.237 |
2 |
|
D |
200 |
55 |
23757 |
◊ |
A |
x,y,z |
1_555 |
202 |
54 |
24428 |
2104.7 |
-11.1 |
0.328 |
30 |
4 |
0 |
0.237 |
Average: |
2118.9 |
-10.6 |
0.373 |
30 |
5 |
0 |
0.237 |
2 |
3 |
|
B |
105 |
31 |
24313 |
◊ |
A |
x,y,z |
1_555 |
103 |
34 |
24428 |
972.7 |
1.9 |
0.811 |
13 |
2 |
0 |
0.000 |
4 |
|
D |
101 |
31 |
23757 |
◊ |
C |
x,y,z |
1_555 |
104 |
32 |
23972 |
962.6 |
3.1 |
0.856 |
14 |
5 |
0 |
0.000 |
Average: |
967.6 |
2.5 |
0.833 |
14 |
4 |
0 |
0.000 |
3 |
5 |
|
D |
93 |
25 |
23757 |
◊ |
B |
x,y,z |
1_555 |
82 |
27 |
24313 |
789.5 |
3.0 |
0.847 |
8 |
3 |
0 |
0.000 |
6 |
|
C |
88 |
27 |
23972 |
◊ |
A |
x,y,z |
1_555 |
78 |
26 |
24428 |
768.4 |
-0.2 |
0.666 |
5 |
2 |
0 |
0.000 |
Average: |
779.0 |
1.4 |
0.757 |
7 |
3 |
0 |
0.000 |
4 |
7 |
|
[NAP]C:603 |
47 |
1 |
924 |
f |
C |
x,y,z |
1_555 |
86 |
31 |
23972 |
594.3 |
-4.6 |
0.417 |
27 |
0 |
0 |
0.160 |
8 |
|
[NAP]D:604 |
46 |
1 |
933 |
f |
D |
x,y,z |
1_555 |
82 |
31 |
23757 |
591.9 |
-5.2 |
0.374 |
24 |
0 |
0 |
0.160 |
Average: |
593.1 |
-4.9 |
0.395 |
26 |
0 |
0 |
0.160 |
5 |
9 |
|
[NAP]B:602 |
46 |
1 |
928 |
f |
B |
x,y,z |
1_555 |
83 |
31 |
24313 |
592.0 |
-3.8 |
0.462 |
24 |
0 |
0 |
0.150 |
10 |
|
[NAP]A:601 |
47 |
1 |
921 |
f |
A |
x,y,z |
1_555 |
81 |
29 |
24428 |
591.8 |
-4.8 |
0.391 |
25 |
0 |
0 |
0.150 |
Average: |
591.9 |
-4.3 |
0.426 |
25 |
0 |
0 |
0.150 |
6 |
11 |
|
D |
44 |
17 |
23757 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
43 |
15 |
24428 |
413.5 |
-2.3 |
0.433 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
33 |
13 |
24313 |
◊ |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
46 |
16 |
23972 |
371.2 |
-2.4 |
0.417 |
1 |
0 |
0 |
0.000 |
Average: |
392.4 |
-2.3 |
0.425 |
1 |
0 |
0 |
0.000 |
7 |
13 |
|
[TMQ]C:613 |
27 |
1 |
589 |
f |
C |
x,y,z |
1_555 |
54 |
20 |
23972 |
406.2 |
1.6 |
0.155 |
6 |
0 |
0 |
0.034 |
14 |
|
[TMQ]B:612 |
27 |
1 |
578 |
f |
B |
x,y,z |
1_555 |
50 |
20 |
24313 |
406.0 |
0.4 |
0.142 |
5 |
0 |
0 |
0.034 |
15 |
|
[TMQ]A:611 |
27 |
1 |
589 |
f |
A |
x,y,z |
1_555 |
52 |
21 |
24428 |
395.9 |
1.1 |
0.134 |
5 |
0 |
0 |
0.034 |
16 |
|
[TMQ]D:614 |
27 |
1 |
582 |
f |
D |
x,y,z |
1_555 |
49 |
18 |
23757 |
392.3 |
0.2 |
0.113 |
6 |
0 |
0 |
0.034 |
Average: |
400.1 |
0.8 |
0.136 |
6 |
0 |
0 |
0.034 |
8 |
17 |
|
D |
34 |
11 |
23757 |
x |
D |
-y+1/2,x-1/2,z-1/4 |
3_544 |
33 |
10 |
23757 |
308.9 |
-0.7 |
0.516 |
4 |
2 |
0 |
0.000 |
18 |
|
C |
34 |
10 |
23972 |
x |
C |
-y+1/2,x-1/2,z-1/4 |
3_544 |
32 |
10 |
23972 |
278.3 |
-1.5 |
0.467 |
1 |
3 |
0 |
0.000 |
Average: |
293.6 |
-1.1 |
0.492 |
3 |
3 |
0 |
0.000 |
9 |
19 |
|
B |
28 |
10 |
24313 |
◊ |
A |
y,x,-z |
7_555 |
29 |
10 |
24428 |
292.3 |
0.2 |
0.629 |
2 |
3 |
0 |
0.000 |
10 |
20 |
|
D |
33 |
12 |
23757 |
◊ |
B |
-y,-x,-z+1/2 |
8_555 |
26 |
12 |
24313 |
288.2 |
1.2 |
0.732 |
0 |
0 |
0 |
0.000 |
11 |
21 |
|
B |
22 |
8 |
24313 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
20 |
5 |
24428 |
177.6 |
-1.0 |
0.473 |
1 |
0 |
0 |
0.000 |
12 |
22 |
|
[EDO]A:802 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
23 |
9 |
24428 |
107.8 |
3.0 |
0.465 |
1 |
0 |
0 |
0.000 |
13 |
23 |
|
[SO4]C:702 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
23972 |
95.2 |
-11.7 |
0.786 |
3 |
0 |
0 |
0.126 |
14 |
24 |
|
[EDO]C:803 |
4 |
1 |
181 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
23972 |
94.8 |
3.4 |
0.514 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[SO4]A:701 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
23757 |
92.2 |
-11.7 |
0.789 |
3 |
0 |
0 |
0.123 |
16 |
26 |
|
[SO4]C:703 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
24313 |
89.7 |
-11.6 |
0.802 |
2 |
0 |
0 |
0.120 |
17 |
27 |
|
C |
7 |
4 |
23972 |
◊ |
A |
y,x,-z |
7_555 |
9 |
6 |
24428 |
89.2 |
0.3 |
0.622 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
[SO4]D:704 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24428 |
87.9 |
-10.7 |
0.836 |
3 |
0 |
0 |
0.114 |
19 |
29 |
|
[SO4]D:704 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
9 |
2 |
23757 |
81.2 |
-9.7 |
0.881 |
4 |
0 |
0 |
0.109 |
20 |
30 |
|
[SO4]C:703 |
5 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
23972 |
80.5 |
-9.0 |
0.898 |
4 |
0 |
0 |
0.104 |
21 |
31 |
|
[SO4]A:701 |
5 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
10 |
2 |
24428 |
78.6 |
-8.9 |
0.901 |
5 |
0 |
0 |
0.105 |
22 |
32 |
|
[SO4]C:702 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
24313 |
78.5 |
-8.5 |
0.902 |
4 |
0 |
0 |
0.099 |
23 |
33 |
|
[TMQ]B:612 |
13 |
1 |
578 |
f |
[NAP]B:602 |
x,y,z |
1_555 |
10 |
1 |
928 |
75.7 |
0.1 |
0.300 |
0 |
0 |
0 |
0.000 |
34 |
|
[TMQ]A:611 |
13 |
1 |
589 |
f |
[NAP]A:601 |
x,y,z |
1_555 |
10 |
1 |
921 |
75.6 |
0.1 |
0.269 |
0 |
0 |
0 |
0.000 |
Average: |
75.6 |
0.1 |
0.285 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
[TMQ]D:614 |
13 |
1 |
582 |
f |
[NAP]D:604 |
x,y,z |
1_555 |
8 |
1 |
933 |
67.7 |
0.1 |
0.264 |
0 |
0 |
0 |
0.000 |
36 |
|
[TMQ]C:613 |
14 |
1 |
589 |
f |
[NAP]C:603 |
x,y,z |
1_555 |
10 |
1 |
924 |
66.1 |
-0.0 |
0.252 |
0 |
0 |
0 |
0.000 |
Average: |
66.9 |
0.0 |
0.258 |
0 |
0 |
0 |
0.000 |
25 |
37 |
|
[EDO]B:805 |
4 |
1 |
182 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
24313 |
58.4 |
2.6 |
0.983 |
2 |
0 |
0 |
0.000 |
26 |
38 |
|
[EDO]A:801 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
24428 |
57.6 |
2.4 |
0.964 |
3 |
0 |
0 |
0.000 |
27 |
39 |
|
[EDO]D:804 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
23757 |
55.7 |
2.7 |
0.981 |
3 |
0 |
0 |
0.000 |
28 |
40 |
|
[EDO]C:806 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
23972 |
54.9 |
2.9 |
0.981 |
1 |
0 |
0 |
0.000 |
29 |
41 |
|
[EDO]C:803 |
4 |
1 |
181 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
23757 |
52.8 |
1.8 |
0.847 |
1 |
0 |
0 |
0.000 |
30 |
42 |
|
[EDO]A:802 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
24313 |
44.6 |
1.2 |
0.831 |
1 |
0 |
0 |
0.000 |
31 |
43 |
|
[EDO]C:806 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
23757 |
41.7 |
1.1 |
0.859 |
1 |
0 |
0 |
0.000 |
32 |
44 |
|
[EDO]D:804 |
2 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
23972 |
29.7 |
0.8 |
0.902 |
1 |
0 |
0 |
0.000 |
33 |
45 |
|
B |
3 |
2 |
24313 |
◊ |
[TMQ]C:613 |
-y+1/2,x-1/2,z-1/4 |
3_544 |
1 |
1 |
589 |
14.8 |
0.3 |
0.518 |
0 |
0 |
0 |
0.000 |
46 |
|
[TMQ]D:614 |
2 |
1 |
582 |
◊ |
A |
-y+1/2,x-1/2,z-1/4 |
3_544 |
3 |
2 |
24428 |
13.4 |
0.2 |
0.481 |
0 |
0 |
0 |
0.000 |
Average: |
14.1 |
0.3 |
0.500 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[EDO]B:805 |
1 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
24428 |
9.2 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[EDO]A:801 |
1 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
24313 |
1.3 |
-0.0 |
0.762 |
0 |
0 |
0 |
0.000 |
|