## |
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 |
|
N |
127 |
35 |
7135 |
◊ |
M |
x,y,z |
1_555 |
122 |
33 |
7099 |
1152.5 |
-12.6 |
0.307 |
19 |
1 |
0 |
1.000 |
2 |
|
F |
114 |
33 |
7095 |
◊ |
E |
x,y,z |
1_555 |
119 |
34 |
7083 |
1152.0 |
-14.0 |
0.229 |
20 |
2 |
0 |
1.000 |
3 |
|
B |
123 |
33 |
7077 |
◊ |
A |
x,y,z |
1_555 |
120 |
34 |
7184 |
1137.8 |
-13.1 |
0.287 |
20 |
1 |
0 |
1.000 |
4 |
|
L |
121 |
34 |
7036 |
◊ |
K |
x,y,z |
1_555 |
120 |
33 |
7066 |
1125.5 |
-12.6 |
0.291 |
24 |
3 |
0 |
1.000 |
5 |
|
J |
123 |
34 |
7099 |
◊ |
I |
x,y,z |
1_555 |
122 |
34 |
7051 |
1125.3 |
-13.4 |
0.263 |
20 |
0 |
0 |
1.000 |
6 |
|
H |
119 |
34 |
7076 |
◊ |
G |
x,y,z |
1_555 |
119 |
33 |
7109 |
1124.1 |
-14.3 |
0.208 |
20 |
0 |
0 |
1.000 |
7 |
|
D |
113 |
34 |
7043 |
◊ |
C |
x,y,z |
1_555 |
117 |
33 |
7140 |
1097.9 |
-14.0 |
0.176 |
19 |
1 |
0 |
1.000 |
8 |
|
P |
117 |
35 |
7032 |
◊ |
O |
x,y,z |
1_555 |
118 |
32 |
7056 |
1095.0 |
-12.2 |
0.255 |
23 |
3 |
0 |
1.000 |
Average: |
1126.3 |
-13.3 |
0.252 |
21 |
1 |
0 |
1.000 |
2 |
9 |
|
O |
95 |
26 |
7056 |
◊ |
M |
x,y,z |
1_555 |
92 |
26 |
7099 |
880.9 |
-13.3 |
0.128 |
3 |
1 |
0 |
1.000 |
10 |
|
C |
90 |
25 |
7140 |
◊ |
A |
x,y,z |
1_555 |
87 |
24 |
7184 |
857.6 |
-13.4 |
0.120 |
4 |
2 |
0 |
1.000 |
11 |
|
P |
92 |
25 |
7032 |
◊ |
N |
x,y,z |
1_555 |
89 |
25 |
7135 |
857.4 |
-13.6 |
0.116 |
5 |
4 |
0 |
1.000 |
12 |
|
H |
87 |
25 |
7076 |
◊ |
F |
x,y,z |
1_555 |
93 |
25 |
7095 |
856.8 |
-14.2 |
0.111 |
4 |
2 |
0 |
1.000 |
13 |
|
L |
87 |
24 |
7036 |
◊ |
J |
x,y,z |
1_555 |
88 |
25 |
7099 |
848.0 |
-13.2 |
0.127 |
3 |
1 |
0 |
1.000 |
14 |
|
D |
90 |
26 |
7043 |
◊ |
B |
x,y,z |
1_555 |
87 |
24 |
7077 |
847.5 |
-13.0 |
0.131 |
4 |
2 |
0 |
1.000 |
15 |
|
K |
90 |
27 |
7066 |
◊ |
I |
x,y,z |
1_555 |
90 |
26 |
7051 |
835.3 |
-13.4 |
0.132 |
4 |
2 |
0 |
1.000 |
16 |
|
G |
85 |
23 |
7109 |
◊ |
E |
x,y,z |
1_555 |
87 |
24 |
7083 |
822.1 |
-13.1 |
0.127 |
3 |
2 |
0 |
1.000 |
Average: |
850.7 |
-13.4 |
0.124 |
4 |
2 |
0 |
1.000 |
3 |
17 |
|
O |
44 |
13 |
7056 |
◊ |
N |
x,y,z |
1_555 |
46 |
16 |
7135 |
440.5 |
-5.4 |
0.303 |
3 |
5 |
0 |
0.165 |
18 |
|
P |
48 |
15 |
7032 |
◊ |
M |
x,y,z |
1_555 |
46 |
15 |
7099 |
439.4 |
-5.3 |
0.338 |
2 |
2 |
0 |
0.165 |
19 |
|
K |
45 |
14 |
7066 |
◊ |
J |
x,y,z |
1_555 |
46 |
15 |
7099 |
432.7 |
-5.9 |
0.294 |
3 |
3 |
0 |
0.165 |
20 |
|
D |
43 |
14 |
7043 |
◊ |
A |
x,y,z |
1_555 |
50 |
15 |
7184 |
432.6 |
-5.1 |
0.360 |
3 |
3 |
0 |
0.165 |
21 |
|
C |
45 |
15 |
7140 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
7077 |
431.7 |
-5.4 |
0.308 |
2 |
2 |
0 |
0.165 |
22 |
|
L |
44 |
15 |
7036 |
◊ |
I |
x,y,z |
1_555 |
43 |
15 |
7051 |
431.2 |
-5.1 |
0.337 |
4 |
4 |
0 |
0.165 |
23 |
|
G |
42 |
14 |
7109 |
◊ |
F |
x,y,z |
1_555 |
48 |
17 |
7095 |
428.8 |
-5.6 |
0.310 |
2 |
2 |
0 |
0.165 |
24 |
|
H |
43 |
15 |
7076 |
◊ |
E |
x,y,z |
1_555 |
43 |
13 |
7083 |
423.5 |
-5.4 |
0.297 |
3 |
4 |
0 |
0.165 |
Average: |
432.6 |
-5.4 |
0.318 |
3 |
3 |
0 |
0.165 |
4 |
25 |
|
G |
40 |
13 |
7109 |
◊ |
B |
x-1,y,z |
1_455 |
38 |
10 |
7077 |
354.5 |
-3.5 |
0.417 |
2 |
0 |
0 |
0.000 |
26 |
|
K |
41 |
12 |
7066 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
40 |
9 |
7135 |
352.6 |
-4.4 |
0.368 |
2 |
0 |
0 |
0.000 |
27 |
|
J |
38 |
10 |
7099 |
◊ |
O |
-x+1,y-1/2,-z |
2_645 |
40 |
12 |
7056 |
352.1 |
-4.1 |
0.350 |
2 |
0 |
0 |
0.000 |
28 |
|
F |
35 |
9 |
7095 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
7140 |
344.3 |
-4.2 |
0.341 |
4 |
0 |
0 |
0.000 |
Average: |
350.9 |
-4.0 |
0.369 |
3 |
0 |
0 |
0.000 |
5 |
29 |
|
L |
25 |
7 |
7036 |
◊ |
A |
x,y-1,z |
1_545 |
32 |
11 |
7184 |
280.7 |
1.4 |
0.845 |
3 |
1 |
0 |
0.000 |
6 |
30 |
|
E |
25 |
7 |
7083 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
7043 |
181.5 |
2.2 |
0.844 |
2 |
4 |
0 |
0.000 |
31 |
|
I |
25 |
9 |
7051 |
◊ |
P |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
7032 |
177.1 |
2.5 |
0.897 |
1 |
2 |
0 |
0.000 |
32 |
|
H |
17 |
6 |
7076 |
◊ |
A |
x-1,y,z |
1_455 |
21 |
7 |
7184 |
176.3 |
2.4 |
0.883 |
2 |
5 |
0 |
0.000 |
33 |
|
L |
14 |
5 |
7036 |
◊ |
M |
-x,y-1/2,-z |
2_545 |
20 |
6 |
7099 |
153.2 |
2.1 |
0.888 |
3 |
3 |
0 |
0.000 |
Average: |
172.0 |
2.3 |
0.878 |
2 |
4 |
0 |
0.000 |
7 |
34 |
|
L |
17 |
7 |
7036 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
19 |
7 |
7184 |
167.2 |
-0.8 |
0.594 |
2 |
2 |
0 |
0.000 |
8 |
35 |
|
P |
17 |
6 |
7032 |
◊ |
E |
x,y,z |
1_555 |
18 |
7 |
7083 |
166.7 |
-1.6 |
0.459 |
2 |
1 |
0 |
0.000 |
36 |
|
M |
19 |
8 |
7099 |
◊ |
H |
x,y,z |
1_555 |
19 |
7 |
7076 |
166.4 |
-0.9 |
0.582 |
2 |
1 |
0 |
0.000 |
37 |
|
I |
18 |
7 |
7051 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
6 |
7043 |
163.4 |
-1.4 |
0.484 |
2 |
1 |
0 |
0.000 |
Average: |
165.5 |
-1.3 |
0.508 |
2 |
1 |
0 |
0.000 |
9 |
38 |
|
E |
11 |
5 |
7083 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
12 |
5 |
7032 |
106.8 |
-0.2 |
0.488 |
2 |
0 |
0 |
0.000 |
10 |
39 |
|
L |
8 |
2 |
7036 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
11 |
3 |
7135 |
97.4 |
1.0 |
0.613 |
0 |
1 |
0 |
0.000 |
40 |
|
J |
11 |
3 |
7099 |
◊ |
P |
-x+1,y-1/2,-z |
2_645 |
7 |
2 |
7032 |
94.5 |
0.7 |
0.683 |
1 |
1 |
0 |
0.000 |
41 |
|
H |
8 |
2 |
7076 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
3 |
7077 |
91.5 |
1.2 |
0.809 |
1 |
2 |
0 |
0.000 |
42 |
|
F |
10 |
3 |
7095 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
7043 |
80.0 |
0.3 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
90.8 |
0.8 |
0.646 |
1 |
1 |
0 |
0.000 |
11 |
43 |
|
N |
12 |
6 |
7135 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
3 |
7140 |
95.9 |
0.2 |
0.656 |
1 |
2 |
0 |
0.000 |
44 |
|
O |
8 |
3 |
7056 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
7077 |
88.1 |
0.1 |
0.680 |
1 |
2 |
0 |
0.000 |
45 |
|
J |
5 |
3 |
7099 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
4 |
3 |
7109 |
19.7 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
46 |
|
K |
1 |
1 |
7066 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
7095 |
0.4 |
-0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
Average: |
51.0 |
0.1 |
0.659 |
1 |
1 |
0 |
0.000 |
12 |
47 |
|
K |
12 |
5 |
7066 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
9 |
3 |
7109 |
72.2 |
-0.1 |
0.665 |
0 |
0 |
0 |
0.000 |
48 |
|
K |
10 |
4 |
7066 |
◊ |
G |
-x,y-1/2,-z |
2_545 |
12 |
4 |
7109 |
67.3 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
49 |
|
O |
8 |
3 |
7056 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7140 |
57.1 |
0.5 |
0.751 |
0 |
0 |
0 |
0.000 |
50 |
|
O |
7 |
4 |
7056 |
◊ |
C |
x,y,z-1 |
1_554 |
6 |
3 |
7140 |
54.8 |
0.0 |
0.625 |
0 |
0 |
0 |
0.000 |
Average: |
62.9 |
0.1 |
0.678 |
0 |
0 |
0 |
0.000 |
13 |
51 |
|
[FE2]F:201 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
7095 |
68.6 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.627 |
52 |
|
[FE2]H:201 |
1 |
1 |
137 |
f |
H |
x,y,z |
1_555 |
1 |
1 |
7076 |
68.4 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.627 |
Average: |
68.5 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.627 |
14 |
53 |
|
E |
9 |
2 |
7083 |
◊ |
I |
x-1,y,z |
1_455 |
6 |
2 |
7051 |
62.4 |
0.1 |
0.653 |
0 |
0 |
0 |
0.000 |
15 |
54 |
|
M |
4 |
2 |
7099 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
11 |
4 |
7032 |
59.6 |
-0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
16 |
55 |
|
M |
13 |
5 |
7099 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
9 |
3 |
7095 |
57.8 |
-0.4 |
0.576 |
0 |
0 |
0 |
0.000 |
17 |
56 |
|
H |
11 |
5 |
7076 |
◊ |
J |
x-1,y+1,z |
1_465 |
8 |
4 |
7099 |
50.6 |
-0.4 |
0.609 |
0 |
0 |
0 |
0.000 |
18 |
57 |
|
P |
7 |
3 |
7032 |
◊ |
H |
x,y,z |
1_555 |
6 |
4 |
7076 |
44.8 |
-0.9 |
0.367 |
0 |
0 |
0 |
0.000 |
58 |
|
L |
7 |
4 |
7036 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
7043 |
42.3 |
-0.9 |
0.394 |
0 |
0 |
0 |
0.000 |
Average: |
43.5 |
-0.9 |
0.380 |
0 |
0 |
0 |
0.000 |
19 |
59 |
|
G |
2 |
1 |
7109 |
◊ |
I |
x-1,y,z |
1_455 |
3 |
2 |
7051 |
28.5 |
0.5 |
0.701 |
0 |
0 |
0 |
0.000 |
20 |
60 |
|
O |
4 |
3 |
7056 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
2 |
1 |
7076 |
22.5 |
1.0 |
0.896 |
0 |
0 |
0 |
0.000 |
21 |
61 |
|
G |
3 |
2 |
7109 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
4 |
3 |
7032 |
20.8 |
1.0 |
0.883 |
0 |
0 |
0 |
0.000 |
22 |
62 |
|
K |
4 |
3 |
7066 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
7043 |
17.5 |
0.7 |
0.847 |
0 |
0 |
0 |
0.000 |
23 |
63 |
|
E |
1 |
1 |
7083 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7135 |
5.8 |
0.2 |
0.818 |
0 |
0 |
0 |
0.000 |
24 |
64 |
|
O |
1 |
1 |
7056 |
◊ |
P |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7032 |
3.7 |
0.3 |
0.834 |
0 |
0 |
0 |
0.000 |
25 |
65 |
|
M |
1 |
1 |
7099 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7076 |
3.7 |
0.0 |
0.586 |
0 |
0 |
0 |
0.000 |
|