## |
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 |
147 |
43 |
16111 |
◊ |
D |
-x+1,y,-z+1/2 |
3_655 |
148 |
43 |
16111 |
1444.5 |
-26.7 |
0.001 |
9 |
2 |
1 |
0.335 |
2 |
|
C |
139 |
41 |
16053 |
◊ |
B |
x,y,z |
1_555 |
142 |
41 |
16029 |
1442.6 |
-26.7 |
0.001 |
9 |
2 |
1 |
0.335 |
3 |
|
A |
146 |
42 |
16063 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
147 |
42 |
16063 |
1429.0 |
-26.6 |
0.001 |
9 |
2 |
1 |
0.335 |
Average: |
1438.7 |
-26.7 |
0.001 |
9 |
2 |
1 |
0.335 |
2 |
4 |
|
D |
44 |
13 |
16111 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
16063 |
436.6 |
-0.4 |
0.643 |
5 |
0 |
0 |
0.031 |
5 |
|
B |
43 |
13 |
16029 |
◊ |
B |
x,-y,-z+1 |
4_556 |
43 |
13 |
16029 |
434.1 |
-0.4 |
0.642 |
8 |
0 |
0 |
0.031 |
6 |
|
C |
44 |
14 |
16053 |
◊ |
C |
x,-y,-z+1 |
4_556 |
44 |
14 |
16053 |
433.1 |
-0.6 |
0.620 |
4 |
0 |
0 |
0.031 |
Average: |
434.6 |
-0.5 |
0.635 |
6 |
0 |
0 |
0.031 |
3 |
7 |
|
D |
20 |
6 |
16111 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
21 |
8 |
16053 |
192.6 |
-3.1 |
0.174 |
2 |
0 |
0 |
0.024 |
4 |
8 |
|
[NAG]B:435A |
12 |
1 |
364 |
cf |
B |
x,y,z |
1_555 |
23 |
9 |
16029 |
177.9 |
5.0 |
0.539 |
3 |
0 |
0 |
0.000 |
9 |
|
[NAG]A:435A |
13 |
1 |
363 |
cf |
A |
x,y,z |
1_555 |
24 |
9 |
16063 |
176.6 |
5.1 |
0.482 |
3 |
0 |
0 |
0.000 |
10 |
|
[NAG]C:435A |
13 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
23 |
9 |
16053 |
176.4 |
5.1 |
0.480 |
2 |
0 |
0 |
0.000 |
11 |
|
[NAG]D:435A |
13 |
1 |
362 |
cf |
D |
x,y,z |
1_555 |
23 |
9 |
16111 |
176.0 |
5.0 |
0.480 |
3 |
0 |
0 |
0.000 |
Average: |
176.7 |
5.1 |
0.495 |
3 |
0 |
0 |
0.000 |
5 |
12 |
|
C |
18 |
5 |
16053 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
16063 |
150.9 |
2.3 |
0.880 |
7 |
0 |
0 |
0.000 |
6 |
13 |
|
B |
17 |
5 |
16029 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
16 |
4 |
16063 |
146.4 |
-3.1 |
0.148 |
0 |
0 |
0 |
0.000 |
7 |
14 |
|
[NAG]C:437A |
12 |
1 |
365 |
cf |
C |
x,y,z |
1_555 |
24 |
7 |
16053 |
130.9 |
3.6 |
0.379 |
1 |
0 |
0 |
0.000 |
15 |
|
[NAG]A:437A |
13 |
1 |
366 |
cf |
A |
x,y,z |
1_555 |
24 |
7 |
16063 |
129.5 |
3.6 |
0.336 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]B:437A |
12 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
23 |
7 |
16029 |
127.9 |
3.5 |
0.377 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]D:437A |
12 |
1 |
366 |
cf |
D |
x,y,z |
1_555 |
22 |
7 |
16111 |
127.2 |
3.5 |
0.396 |
0 |
0 |
0 |
0.000 |
Average: |
128.9 |
3.5 |
0.372 |
0 |
0 |
0 |
0.000 |
8 |
18 |
|
[NAG]B:434A |
11 |
1 |
359 |
cf |
B |
x,y,z |
1_555 |
19 |
4 |
16029 |
120.0 |
3.5 |
0.404 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAG]D:434A |
11 |
1 |
358 |
cf |
D |
x,y,z |
1_555 |
19 |
4 |
16111 |
119.0 |
3.6 |
0.410 |
0 |
0 |
0 |
0.000 |
20 |
|
[NAG]C:434A |
11 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
19 |
4 |
16053 |
118.7 |
3.6 |
0.424 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]A:434A |
11 |
1 |
356 |
cf |
A |
x,y,z |
1_555 |
19 |
4 |
16063 |
118.6 |
3.5 |
0.405 |
0 |
0 |
0 |
0.000 |
Average: |
119.1 |
3.5 |
0.411 |
0 |
0 |
0 |
0.000 |
9 |
22 |
|
[NAG]D:433A |
10 |
1 |
365 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
16111 |
95.5 |
3.1 |
0.333 |
1 |
0 |
0 |
0.000 |
23 |
|
[NAG]A:433A |
10 |
1 |
364 |
cf |
A |
x,y,z |
1_555 |
10 |
4 |
16063 |
94.9 |
3.0 |
0.335 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:433A |
10 |
1 |
362 |
cf |
B |
x,y,z |
1_555 |
10 |
4 |
16029 |
93.8 |
3.0 |
0.335 |
1 |
0 |
0 |
0.000 |
25 |
|
[NAG]C:433A |
10 |
1 |
362 |
cf |
C |
x,y,z |
1_555 |
10 |
4 |
16053 |
93.6 |
3.0 |
0.335 |
1 |
0 |
0 |
0.000 |
Average: |
94.5 |
3.0 |
0.335 |
1 |
0 |
0 |
0.000 |
10 |
26 |
|
[NAG]A:436A |
9 |
1 |
355 |
cf |
A |
x,y,z |
1_555 |
10 |
3 |
16063 |
86.1 |
2.9 |
0.514 |
0 |
0 |
0 |
0.000 |
27 |
|
[NAG]D:436A |
9 |
1 |
353 |
cf |
D |
x,y,z |
1_555 |
8 |
3 |
16111 |
85.5 |
2.8 |
0.477 |
0 |
0 |
0 |
0.000 |
28 |
|
[NAG]B:436A |
9 |
1 |
353 |
cf |
B |
x,y,z |
1_555 |
10 |
3 |
16029 |
85.4 |
2.8 |
0.513 |
0 |
0 |
0 |
0.000 |
29 |
|
[NAG]C:436A |
9 |
1 |
355 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
16053 |
84.7 |
2.9 |
0.484 |
0 |
0 |
0 |
0.000 |
Average: |
85.4 |
2.8 |
0.497 |
0 |
0 |
0 |
0.000 |
11 |
30 |
|
[NAG]C:433A |
9 |
1 |
362 |
◊ |
C |
x,-y,-z+1 |
4_556 |
12 |
4 |
16053 |
83.5 |
1.5 |
0.253 |
2 |
0 |
0 |
0.000 |
31 |
|
[NAG]A:433A |
9 |
1 |
364 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
16111 |
81.0 |
1.5 |
0.251 |
2 |
0 |
0 |
0.000 |
32 |
|
[NAG]B:433A |
9 |
1 |
362 |
◊ |
B |
x,-y,-z+1 |
4_556 |
12 |
4 |
16029 |
81.0 |
1.5 |
0.255 |
2 |
0 |
0 |
0.000 |
33 |
|
[NAG]D:433A |
9 |
1 |
365 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
16063 |
80.9 |
1.4 |
0.231 |
3 |
0 |
0 |
0.000 |
Average: |
81.6 |
1.5 |
0.247 |
2 |
0 |
0 |
0.000 |
12 |
34 |
|
[FE]C:438 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
16053 |
62.2 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.219 |
35 |
|
[FE]A:438 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
16063 |
62.2 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.219 |
36 |
|
[FE]B:438 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
16029 |
61.9 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.219 |
37 |
|
[FE]D:438 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
16111 |
61.8 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.219 |
Average: |
62.0 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.219 |
13 |
38 |
|
[NAG]D:437A |
4 |
1 |
366 |
◊ |
C |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
5 |
1 |
16053 |
43.1 |
2.2 |
0.677 |
0 |
0 |
0 |
0.000 |
14 |
39 |
|
[ZN]C:439 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
16053 |
40.8 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.573 |
40 |
|
[ZN]D:439 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
16111 |
40.6 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.573 |
41 |
|
[ZN]B:439 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
5 |
16029 |
40.2 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.573 |
42 |
|
[ZN]A:439 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
16063 |
40.2 |
-30.3 |
0.000 |
0 |
0 |
0 |
0.573 |
Average: |
40.4 |
-30.1 |
0.000 |
0 |
0 |
0 |
0.573 |
15 |
43 |
|
[NAG]A:436A |
2 |
1 |
355 |
◊ |
D |
x,y,z |
1_555 |
4 |
3 |
16111 |
29.5 |
1.5 |
0.744 |
0 |
0 |
0 |
0.000 |
44 |
|
[NAG]C:436A |
2 |
1 |
355 |
◊ |
C |
x,-y,-z+1 |
4_556 |
3 |
2 |
16053 |
27.7 |
1.5 |
0.723 |
0 |
0 |
0 |
0.000 |
45 |
|
[NAG]D:436A |
2 |
1 |
353 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
16063 |
27.5 |
1.5 |
0.729 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]B:436A |
2 |
1 |
353 |
◊ |
B |
x,-y,-z+1 |
4_556 |
3 |
2 |
16029 |
25.8 |
1.4 |
0.747 |
0 |
0 |
0 |
0.000 |
Average: |
27.6 |
1.5 |
0.736 |
0 |
0 |
0 |
0.000 |
16 |
47 |
|
[ZN]C:439 |
1 |
1 |
98 |
f |
[FE]C:438 |
x,y,z |
1_555 |
1 |
1 |
137 |
22.2 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.108 |
17 |
48 |
|
[ZN]D:439 |
1 |
1 |
98 |
f |
[FE]D:438 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.8 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.205 |
18 |
49 |
|
[ZN]A:439 |
1 |
1 |
98 |
f |
[FE]A:438 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.203 |
19 |
50 |
|
[ZN]B:439 |
1 |
1 |
98 |
f |
[FE]B:438 |
x,y,z |
1_555 |
1 |
1 |
137 |
21.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.105 |
20 |
51 |
|
[NAG]D:434A |
2 |
1 |
358 |
◊ |
[NAG]A:433A |
x,y,z |
1_555 |
2 |
1 |
364 |
16.3 |
0.8 |
0.235 |
0 |
0 |
0 |
0.000 |
52 |
|
[NAG]C:434A |
2 |
1 |
355 |
◊ |
[NAG]C:433A |
x,-y,-z+1 |
4_556 |
2 |
1 |
362 |
16.0 |
0.8 |
0.247 |
0 |
0 |
0 |
0.000 |
53 |
|
[NAG]D:433A |
2 |
1 |
365 |
◊ |
[NAG]A:434A |
x,y,z |
1_555 |
2 |
1 |
356 |
15.4 |
0.7 |
0.240 |
0 |
0 |
0 |
0.000 |
54 |
|
[NAG]B:434A |
2 |
1 |
359 |
◊ |
[NAG]B:433A |
x,-y,-z+1 |
4_556 |
2 |
1 |
362 |
15.2 |
0.7 |
0.240 |
0 |
0 |
0 |
0.000 |
Average: |
15.7 |
0.7 |
0.240 |
0 |
0 |
0 |
0.000 |
21 |
55 |
|
[NAG]D:437A |
2 |
1 |
366 |
◊ |
[NAG]C:437A |
-x+1/2,-y+1/2,z-1/2 |
6_554 |
1 |
1 |
365 |
5.4 |
0.3 |
0.241 |
0 |
0 |
0 |
0.000 |
|