| ## |
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 |
78 |
22 |
7618 |
◊ |
K |
x-1,y+1,z |
1_465 |
76 |
20 |
7567 |
728.7 |
-9.3 |
0.166 |
4 |
0 |
0 |
1.000 |
2 |
|
L |
77 |
21 |
7661 |
◊ |
C |
x,y-1,z |
1_545 |
72 |
19 |
7564 |
721.8 |
-10.8 |
0.096 |
4 |
0 |
0 |
1.000 |
3 |
|
B |
79 |
21 |
7559 |
◊ |
A |
x,y,z |
1_555 |
77 |
20 |
7667 |
709.6 |
-11.1 |
0.103 |
4 |
0 |
0 |
1.000 |
4 |
|
R |
74 |
20 |
7610 |
◊ |
U |
x,y-1,z |
1_545 |
74 |
20 |
7653 |
699.8 |
-10.9 |
0.078 |
4 |
0 |
0 |
1.000 |
5 |
|
O |
73 |
20 |
7547 |
◊ |
X |
x,y-1,z |
1_545 |
72 |
20 |
7628 |
692.4 |
-11.6 |
0.071 |
5 |
0 |
0 |
1.000 |
6 |
|
G |
74 |
20 |
7719 |
◊ |
H |
x-1,y+1,z |
1_465 |
71 |
20 |
7691 |
691.1 |
-11.4 |
0.076 |
5 |
0 |
0 |
1.000 |
7 |
|
V |
73 |
20 |
7572 |
◊ |
Q |
x,y,z |
1_555 |
78 |
23 |
7649 |
690.1 |
-11.5 |
0.079 |
4 |
0 |
0 |
1.000 |
8 |
|
I |
73 |
21 |
7722 |
◊ |
F |
x,y-1,z |
1_545 |
69 |
19 |
7674 |
689.0 |
-11.4 |
0.068 |
4 |
0 |
0 |
1.000 |
9 |
|
T |
77 |
22 |
7591 |
◊ |
S |
x-1,y+1,z |
1_465 |
71 |
19 |
7523 |
689.0 |
-11.6 |
0.064 |
5 |
0 |
0 |
1.000 |
10 |
|
J |
74 |
20 |
7662 |
◊ |
E |
x,y,z |
1_555 |
70 |
20 |
7818 |
679.6 |
-11.2 |
0.081 |
4 |
0 |
0 |
1.000 |
11 |
|
N |
73 |
19 |
7621 |
◊ |
M |
x,y,z |
1_555 |
73 |
19 |
7554 |
679.4 |
-11.6 |
0.061 |
5 |
0 |
0 |
1.000 |
12 |
|
W |
73 |
21 |
7676 |
◊ |
P |
x-1,y+1,z |
1_465 |
72 |
21 |
7594 |
672.3 |
-11.4 |
0.067 |
4 |
0 |
0 |
1.000 |
| Average: |
695.2 |
-11.1 |
0.084 |
4 |
0 |
0 |
1.000 |
| 2 |
13 |
|
F |
40 |
12 |
7674 |
◊ |
E |
x,y,z |
1_555 |
45 |
15 |
7818 |
361.8 |
-0.6 |
0.625 |
6 |
1 |
0 |
0.000 |
14 |
|
R |
40 |
12 |
7610 |
◊ |
Q |
x,y,z |
1_555 |
42 |
15 |
7649 |
359.9 |
-1.3 |
0.522 |
4 |
0 |
0 |
0.000 |
15 |
|
I |
37 |
13 |
7722 |
◊ |
H |
x,y,z |
1_555 |
37 |
13 |
7691 |
346.6 |
-0.7 |
0.596 |
5 |
1 |
0 |
0.000 |
16 |
|
J |
32 |
13 |
7662 |
◊ |
I |
x,y,z |
1_555 |
42 |
13 |
7722 |
335.3 |
-1.1 |
0.555 |
4 |
1 |
0 |
0.000 |
17 |
|
L |
34 |
12 |
7661 |
◊ |
K |
x,y,z |
1_555 |
38 |
14 |
7567 |
332.0 |
-1.1 |
0.576 |
4 |
0 |
0 |
0.000 |
18 |
|
J |
38 |
12 |
7662 |
◊ |
H |
x,y,z |
1_555 |
39 |
14 |
7691 |
331.1 |
-1.2 |
0.529 |
3 |
1 |
0 |
0.000 |
19 |
|
X |
43 |
12 |
7628 |
◊ |
W |
x,y,z |
1_555 |
42 |
16 |
7676 |
329.6 |
-1.7 |
0.536 |
4 |
0 |
0 |
0.000 |
20 |
|
U |
39 |
14 |
7653 |
◊ |
T |
x,y,z |
1_555 |
35 |
11 |
7591 |
318.4 |
-0.3 |
0.583 |
4 |
1 |
0 |
0.000 |
21 |
|
V |
35 |
10 |
7572 |
◊ |
T |
x,y,z |
1_555 |
35 |
13 |
7591 |
314.2 |
-0.6 |
0.585 |
4 |
1 |
0 |
0.000 |
22 |
|
V |
33 |
13 |
7572 |
◊ |
U |
x,y,z |
1_555 |
33 |
10 |
7653 |
312.8 |
-0.6 |
0.557 |
4 |
0 |
0 |
0.000 |
23 |
|
S |
35 |
11 |
7523 |
◊ |
R |
x,y,z |
1_555 |
38 |
15 |
7610 |
311.4 |
0.3 |
0.647 |
7 |
1 |
0 |
0.000 |
24 |
|
D |
37 |
13 |
7618 |
◊ |
B |
x,y,z |
1_555 |
36 |
12 |
7559 |
306.5 |
-1.3 |
0.527 |
5 |
2 |
0 |
0.000 |
25 |
|
O |
35 |
13 |
7547 |
◊ |
N |
x,y,z |
1_555 |
34 |
12 |
7621 |
305.0 |
-0.9 |
0.514 |
3 |
0 |
0 |
0.000 |
26 |
|
X |
39 |
14 |
7628 |
◊ |
M |
x,y,z |
1_555 |
34 |
11 |
7554 |
294.2 |
-1.7 |
0.519 |
4 |
0 |
0 |
0.000 |
27 |
|
G |
30 |
11 |
7719 |
◊ |
F |
x,y,z |
1_555 |
41 |
15 |
7674 |
291.5 |
0.0 |
0.656 |
5 |
0 |
0 |
0.000 |
28 |
|
D |
32 |
13 |
7618 |
◊ |
C |
x,y,z |
1_555 |
38 |
12 |
7564 |
288.6 |
-1.3 |
0.536 |
4 |
0 |
0 |
0.000 |
29 |
|
P |
36 |
11 |
7594 |
◊ |
N |
x,y,z |
1_555 |
34 |
11 |
7621 |
283.8 |
-1.4 |
0.488 |
3 |
0 |
0 |
0.000 |
30 |
|
C |
37 |
13 |
7564 |
◊ |
B |
x,y,z |
1_555 |
38 |
11 |
7559 |
280.9 |
-1.4 |
0.544 |
2 |
0 |
0 |
0.000 |
31 |
|
P |
34 |
13 |
7594 |
◊ |
O |
x,y,z |
1_555 |
32 |
10 |
7547 |
280.4 |
-1.8 |
0.477 |
4 |
0 |
0 |
0.000 |
32 |
|
L |
35 |
13 |
7661 |
◊ |
A |
x,y,z |
1_555 |
35 |
12 |
7667 |
276.7 |
-0.9 |
0.590 |
5 |
0 |
0 |
0.000 |
| Average: |
313.0 |
-1.0 |
0.558 |
4 |
0 |
0 |
0.000 |
| 3 |
33 |
|
S |
33 |
13 |
7523 |
◊ |
Q |
x,y,z |
1_555 |
31 |
9 |
7649 |
305.2 |
-0.9 |
0.549 |
1 |
0 |
0 |
0.000 |
34 |
|
W |
29 |
8 |
7676 |
◊ |
M |
x,y,z |
1_555 |
31 |
10 |
7554 |
260.1 |
-2.5 |
0.370 |
1 |
0 |
0 |
0.000 |
35 |
|
G |
28 |
9 |
7719 |
◊ |
E |
x,y,z |
1_555 |
28 |
9 |
7818 |
242.5 |
-2.4 |
0.390 |
2 |
0 |
0 |
0.000 |
36 |
|
K |
26 |
8 |
7567 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
7667 |
233.3 |
-2.4 |
0.366 |
1 |
0 |
0 |
0.000 |
| Average: |
260.3 |
-2.0 |
0.419 |
1 |
0 |
0 |
0.000 |
| 4 |
37 |
|
W |
32 |
12 |
7676 |
◊ |
G |
x,y,z-1 |
1_554 |
32 |
12 |
7719 |
287.5 |
0.9 |
0.732 |
4 |
0 |
0 |
0.000 |
38 |
|
X |
27 |
10 |
7628 |
◊ |
F |
x,y,z-1 |
1_554 |
24 |
8 |
7674 |
261.9 |
0.4 |
0.671 |
3 |
0 |
0 |
0.000 |
39 |
|
M |
28 |
10 |
7554 |
◊ |
E |
x,y,z-1 |
1_554 |
22 |
9 |
7818 |
260.8 |
1.1 |
0.755 |
4 |
0 |
0 |
0.000 |
40 |
|
Q |
28 |
9 |
7649 |
◊ |
A |
x,y,z |
1_555 |
25 |
9 |
7667 |
229.8 |
0.6 |
0.707 |
3 |
0 |
0 |
0.000 |
41 |
|
S |
28 |
10 |
7523 |
◊ |
K |
x,y,z |
1_555 |
26 |
10 |
7567 |
214.2 |
0.9 |
0.729 |
4 |
0 |
0 |
0.000 |
42 |
|
R |
21 |
8 |
7610 |
◊ |
L |
x,y,z |
1_555 |
23 |
9 |
7661 |
207.0 |
0.7 |
0.701 |
5 |
0 |
0 |
0.000 |
| Average: |
243.5 |
0.8 |
0.716 |
4 |
0 |
0 |
0.000 |
| 5 |
43 |
|
J |
31 |
13 |
7662 |
◊ |
A |
x,y,z |
1_555 |
35 |
11 |
7667 |
273.3 |
-2.8 |
0.359 |
0 |
1 |
0 |
0.000 |
44 |
|
V |
28 |
11 |
7572 |
◊ |
M |
x,y,z |
1_555 |
37 |
12 |
7554 |
261.2 |
-2.5 |
0.396 |
1 |
0 |
0 |
0.000 |
45 |
|
S |
30 |
12 |
7523 |
◊ |
P |
x,y,z |
1_555 |
29 |
14 |
7594 |
248.1 |
-3.0 |
0.293 |
0 |
0 |
0 |
0.000 |
46 |
|
G |
30 |
12 |
7719 |
◊ |
D |
x,y,z |
1_555 |
30 |
12 |
7618 |
231.5 |
-2.3 |
0.409 |
1 |
0 |
0 |
0.000 |
| Average: |
253.5 |
-2.7 |
0.365 |
1 |
0 |
0 |
0.000 |
| 6 |
47 |
|
P |
23 |
9 |
7594 |
◊ |
H |
x,y,z-1 |
1_554 |
28 |
8 |
7691 |
256.8 |
-0.3 |
0.593 |
1 |
0 |
0 |
0.000 |
48 |
|
O |
22 |
7 |
7547 |
◊ |
I |
x,y,z-1 |
1_554 |
26 |
8 |
7722 |
240.5 |
-0.0 |
0.635 |
1 |
0 |
0 |
0.000 |
49 |
|
U |
21 |
9 |
7653 |
◊ |
C |
x,y,z |
1_555 |
23 |
8 |
7564 |
229.2 |
-0.2 |
0.599 |
0 |
0 |
0 |
0.000 |
50 |
|
N |
19 |
7 |
7621 |
◊ |
J |
x,y,z-1 |
1_554 |
21 |
7 |
7662 |
215.5 |
0.5 |
0.651 |
1 |
0 |
0 |
0.000 |
51 |
|
T |
21 |
7 |
7591 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
7618 |
196.0 |
-1.2 |
0.463 |
1 |
0 |
0 |
0.000 |
52 |
|
V |
21 |
7 |
7572 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
7559 |
192.5 |
-0.5 |
0.583 |
0 |
0 |
0 |
0.000 |
| Average: |
221.8 |
-0.3 |
0.588 |
1 |
0 |
0 |
0.000 |
| 7 |
53 |
|
L |
20 |
11 |
7661 |
◊ |
I |
x,y,z |
1_555 |
16 |
6 |
7722 |
148.1 |
-1.9 |
0.369 |
0 |
0 |
0 |
0.000 |
54 |
|
R |
17 |
8 |
7610 |
◊ |
O |
x,y,z |
1_555 |
12 |
4 |
7547 |
139.4 |
-1.4 |
0.373 |
0 |
0 |
0 |
0.000 |
55 |
|
X |
16 |
6 |
7628 |
◊ |
U |
x,y,z |
1_555 |
16 |
6 |
7653 |
137.4 |
-2.3 |
0.282 |
0 |
0 |
0 |
0.000 |
56 |
|
F |
17 |
7 |
7674 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
7564 |
130.5 |
-2.1 |
0.283 |
0 |
0 |
0 |
0.000 |
| Average: |
138.9 |
-1.9 |
0.327 |
0 |
0 |
0 |
0.000 |
| 8 |
57 |
|
K |
15 |
3 |
7567 |
◊ |
I |
x,y,z |
1_555 |
13 |
2 |
7722 |
123.1 |
0.9 |
0.736 |
2 |
0 |
0 |
0.000 |
58 |
|
W |
13 |
3 |
7676 |
◊ |
U |
x,y,z |
1_555 |
14 |
3 |
7653 |
121.5 |
1.4 |
0.778 |
1 |
0 |
0 |
0.000 |
59 |
|
E |
14 |
4 |
7818 |
◊ |
C |
x,y,z |
1_555 |
13 |
2 |
7564 |
116.2 |
1.0 |
0.742 |
1 |
0 |
0 |
0.000 |
60 |
|
Q |
14 |
4 |
7649 |
◊ |
O |
x,y,z |
1_555 |
13 |
3 |
7547 |
112.6 |
1.0 |
0.758 |
0 |
0 |
0 |
0.000 |
| Average: |
118.3 |
1.1 |
0.753 |
1 |
0 |
0 |
0.000 |
| 9 |
61 |
|
Q |
10 |
3 |
7649 |
◊ |
N |
x,y,z |
1_555 |
10 |
5 |
7621 |
77.4 |
-1.4 |
0.322 |
0 |
0 |
0 |
0.000 |
62 |
|
W |
10 |
3 |
7676 |
◊ |
T |
x,y,z |
1_555 |
7 |
3 |
7591 |
75.0 |
-0.9 |
0.356 |
0 |
0 |
0 |
0.000 |
63 |
|
K |
9 |
2 |
7567 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
7691 |
73.6 |
-0.7 |
0.446 |
0 |
0 |
0 |
0.000 |
64 |
|
E |
12 |
4 |
7818 |
◊ |
B |
x,y,z |
1_555 |
11 |
5 |
7559 |
73.4 |
-0.9 |
0.433 |
0 |
0 |
0 |
0.000 |
| Average: |
74.8 |
-1.0 |
0.389 |
0 |
0 |
0 |
0.000 |
| 10 |
65 |
|
[CU]K:201 |
1 |
1 |
125 |
f |
K |
x,y,z |
1_555 |
6 |
4 |
7567 |
63.7 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.674 |
66 |
|
[CU]F:201 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
6 |
5 |
7674 |
63.3 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.674 |
67 |
|
[CU]J:201 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
4 |
4 |
7662 |
63.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.674 |
68 |
|
[CU]G:201 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
5 |
4 |
7719 |
63.1 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.674 |
69 |
|
[CU]W:201 |
1 |
1 |
125 |
f |
W |
x,y,z |
1_555 |
4 |
4 |
7676 |
63.0 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.674 |
70 |
|
[CU]I:201 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
4 |
4 |
7722 |
62.9 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.674 |
71 |
|
[CU]D:201 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
7618 |
62.8 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.674 |
72 |
|
[CU]N:201 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
6 |
3 |
7621 |
62.8 |
-14.4 |
0.000 |
0 |
0 |
0 |
0.674 |
73 |
|
[CU]H:201 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
3 |
3 |
7691 |
62.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.674 |
74 |
|
[CU]B:201 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
4 |
4 |
7559 |
62.7 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.674 |
75 |
|
[CU]E:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
7818 |
62.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.674 |
76 |
|
[CU]X:201 |
1 |
1 |
125 |
f |
X |
x,y,z |
1_555 |
3 |
3 |
7628 |
62.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.674 |
77 |
|
[CU]L:201 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
2 |
2 |
7661 |
62.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.674 |
78 |
|
[CU]M:201 |
1 |
1 |
125 |
f |
M |
x,y,z |
1_555 |
1 |
1 |
7554 |
62.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.674 |
79 |
|
[CU]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
7564 |
62.4 |
-13.5 |
0.000 |
0 |
0 |
0 |
0.674 |
80 |
|
[CU]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
7667 |
62.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.674 |
| Average: |
62.8 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.674 |
| 11 |
81 |
|
H |
8 |
2 |
7691 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
7667 |
57.7 |
0.5 |
0.707 |
0 |
0 |
0 |
0.000 |
82 |
|
T |
7 |
1 |
7591 |
◊ |
M |
x,y,z |
1_555 |
6 |
2 |
7554 |
49.1 |
0.6 |
0.731 |
0 |
1 |
0 |
0.000 |
83 |
|
G |
5 |
2 |
7719 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
7559 |
36.0 |
0.5 |
0.731 |
0 |
0 |
0 |
0.000 |
84 |
|
S |
3 |
1 |
7523 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
7621 |
8.2 |
0.2 |
0.767 |
0 |
0 |
0 |
0.000 |
| Average: |
37.7 |
0.4 |
0.734 |
0 |
0 |
0 |
0.000 |
| 12 |
85 |
|
X |
2 |
1 |
7628 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
7572 |
19.7 |
1.4 |
0.956 |
0 |
0 |
0 |
0.000 |
86 |
|
L |
1 |
1 |
7661 |
◊ |
J |
x,y,z |
1_555 |
2 |
1 |
7662 |
15.1 |
0.8 |
0.872 |
0 |
0 |
0 |
0.000 |
87 |
|
F |
2 |
1 |
7674 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7618 |
13.2 |
0.7 |
0.877 |
0 |
0 |
0 |
0.000 |
88 |
|
R |
2 |
1 |
7610 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
7594 |
3.4 |
0.2 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
12.9 |
0.8 |
0.864 |
0 |
0 |
0 |
0.000 |
|