| ## |
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 |
347 |
86 |
18824 |
◊ |
M |
x,y,z |
1_555 |
343 |
94 |
18802 |
3342.8 |
-13.3 |
0.646 |
73 |
5 |
0 |
0.648 |
2 |
|
D |
335 |
95 |
18409 |
◊ |
C |
x,y,z |
1_555 |
339 |
85 |
18660 |
3307.8 |
-18.0 |
0.476 |
64 |
2 |
0 |
0.648 |
3 |
|
O |
334 |
83 |
18914 |
◊ |
N |
x,y,z |
1_555 |
345 |
94 |
18824 |
3304.7 |
-15.5 |
0.558 |
69 |
6 |
0 |
0.648 |
4 |
|
P |
329 |
84 |
18923 |
◊ |
O |
x,y,z |
1_555 |
340 |
94 |
18914 |
3278.4 |
-16.3 |
0.536 |
67 |
3 |
0 |
0.648 |
5 |
|
K |
332 |
83 |
18900 |
◊ |
J |
x,y,z |
1_555 |
338 |
92 |
18700 |
3255.4 |
-15.6 |
0.590 |
66 |
6 |
0 |
0.648 |
6 |
|
L |
324 |
82 |
18575 |
◊ |
K |
x,y,z |
1_555 |
339 |
96 |
18900 |
3246.9 |
-19.8 |
0.430 |
67 |
7 |
0 |
0.648 |
7 |
|
C |
329 |
90 |
18660 |
◊ |
B |
x,y,z |
1_555 |
334 |
83 |
18473 |
3235.2 |
-16.1 |
0.488 |
70 |
6 |
0 |
0.648 |
8 |
|
R |
331 |
80 |
18400 |
◊ |
P |
x,y,z |
1_555 |
330 |
97 |
18923 |
3226.1 |
-18.1 |
0.459 |
64 |
3 |
0 |
0.648 |
9 |
|
M |
331 |
86 |
18802 |
◊ |
L |
x,y,z |
1_555 |
336 |
94 |
18575 |
3225.1 |
-15.2 |
0.585 |
68 |
6 |
0 |
0.648 |
10 |
|
S |
322 |
80 |
18164 |
◊ |
R |
x,y,z |
1_555 |
337 |
93 |
18400 |
3224.4 |
-15.5 |
0.537 |
64 |
3 |
0 |
0.648 |
11 |
|
E |
333 |
92 |
18197 |
◊ |
D |
x,y,z |
1_555 |
336 |
80 |
18409 |
3211.4 |
-12.5 |
0.609 |
68 |
5 |
0 |
0.648 |
12 |
|
H |
328 |
94 |
18121 |
◊ |
G |
x,y,z |
1_555 |
326 |
85 |
18991 |
3207.9 |
-14.5 |
0.495 |
63 |
4 |
0 |
0.648 |
13 |
|
I |
326 |
81 |
18176 |
◊ |
A |
x,y,z |
1_555 |
334 |
92 |
18885 |
3206.3 |
-14.5 |
0.535 |
70 |
8 |
0 |
0.648 |
14 |
|
G |
332 |
94 |
18991 |
◊ |
F |
x,y,z |
1_555 |
334 |
80 |
18259 |
3201.9 |
-12.9 |
0.628 |
69 |
6 |
0 |
0.648 |
15 |
|
F |
334 |
95 |
18259 |
◊ |
E |
x,y,z |
1_555 |
332 |
78 |
18197 |
3195.3 |
-14.0 |
0.571 |
62 |
4 |
0 |
0.648 |
16 |
|
I |
328 |
88 |
18176 |
◊ |
H |
x,y,z |
1_555 |
326 |
84 |
18121 |
3189.6 |
-10.7 |
0.593 |
65 |
6 |
0 |
0.648 |
17 |
|
B |
331 |
91 |
18473 |
◊ |
A |
x,y,z |
1_555 |
322 |
79 |
18885 |
3181.0 |
-12.6 |
0.565 |
67 |
5 |
0 |
0.648 |
18 |
|
S |
327 |
93 |
18164 |
◊ |
J |
x,y,z |
1_555 |
329 |
84 |
18700 |
3159.4 |
-16.5 |
0.511 |
66 |
5 |
0 |
0.648 |
| Average: |
3233.3 |
-15.1 |
0.545 |
67 |
5 |
0 |
0.648 |
| 2 |
19 |
|
R |
41 |
16 |
18400 |
◊ |
F |
y,x,-z+1 |
7_556 |
43 |
16 |
18259 |
358.4 |
1.6 |
0.810 |
2 |
0 |
0 |
0.000 |
| 3 |
20 |
|
A |
31 |
10 |
18885 |
◊ |
E |
-x+3/2,y-1/2,-z+3/4 |
5_645 |
29 |
11 |
18197 |
258.8 |
1.4 |
0.781 |
5 |
0 |
0 |
0.000 |
| 4 |
21 |
|
G |
29 |
13 |
18991 |
◊ |
L |
-y+1/2,x-1/2,z-1/4 |
3_544 |
25 |
13 |
18575 |
216.4 |
2.7 |
0.873 |
3 |
4 |
0 |
0.000 |
| 5 |
22 |
|
[MBO]O:301 |
10 |
1 |
314 |
f |
O |
x,y,z |
1_555 |
32 |
11 |
18914 |
174.0 |
-5.2 |
0.514 |
0 |
0 |
0 |
0.062 |
23 |
|
[MBO]G:301 |
10 |
1 |
312 |
f |
G |
x,y,z |
1_555 |
29 |
11 |
18991 |
164.6 |
-5.3 |
0.498 |
0 |
0 |
0 |
0.062 |
24 |
|
[MBO]B:302 |
10 |
1 |
315 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
18473 |
163.9 |
-5.7 |
0.467 |
0 |
0 |
0 |
0.062 |
25 |
|
[MBO]E:301 |
10 |
1 |
309 |
f |
E |
x,y,z |
1_555 |
25 |
11 |
18197 |
163.2 |
-5.4 |
0.513 |
0 |
0 |
0 |
0.062 |
26 |
|
[MBO]P:302 |
10 |
1 |
313 |
f |
P |
x,y,z |
1_555 |
27 |
11 |
18923 |
161.6 |
-5.7 |
0.471 |
0 |
0 |
0 |
0.062 |
| Average: |
165.5 |
-5.5 |
0.493 |
0 |
0 |
0 |
0.062 |
| 6 |
27 |
|
[MBO]C:301 |
10 |
1 |
316 |
f |
C |
x,y,z |
1_555 |
30 |
11 |
18660 |
167.9 |
-5.7 |
0.437 |
0 |
0 |
0 |
0.018 |
| 7 |
28 |
|
[MBO]H:302 |
10 |
1 |
314 |
f |
H |
x,y,z |
1_555 |
28 |
11 |
18121 |
163.4 |
-5.5 |
0.436 |
0 |
0 |
0 |
0.060 |
| 8 |
29 |
|
[MBO]D:301 |
10 |
1 |
313 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
18409 |
162.8 |
-5.7 |
0.468 |
0 |
0 |
0 |
0.059 |
30 |
|
[MBO]A:301 |
10 |
1 |
314 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
18885 |
157.8 |
-5.6 |
0.479 |
0 |
0 |
0 |
0.059 |
| Average: |
160.3 |
-5.7 |
0.473 |
0 |
0 |
0 |
0.059 |
| 9 |
31 |
|
[MBO]R:301 |
10 |
1 |
314 |
f |
R |
x,y,z |
1_555 |
24 |
10 |
18400 |
161.2 |
-6.1 |
0.406 |
0 |
0 |
0 |
0.019 |
| 10 |
32 |
|
[MBO]L:301 |
10 |
1 |
311 |
f |
L |
x,y,z |
1_555 |
28 |
11 |
18575 |
160.9 |
-5.6 |
0.478 |
0 |
0 |
0 |
0.063 |
33 |
|
[MBO]I:302 |
10 |
1 |
313 |
f |
I |
x,y,z |
1_555 |
30 |
11 |
18176 |
157.5 |
-5.6 |
0.475 |
0 |
0 |
0 |
0.063 |
| Average: |
159.2 |
-5.6 |
0.476 |
0 |
0 |
0 |
0.063 |
| 11 |
34 |
|
[MBO]K:301 |
10 |
1 |
314 |
f |
K |
x,y,z |
1_555 |
27 |
11 |
18900 |
159.8 |
-5.4 |
0.495 |
0 |
0 |
0 |
0.058 |
| 12 |
35 |
|
[MBO]M:301 |
9 |
1 |
317 |
f |
M |
x,y,z |
1_555 |
28 |
11 |
18802 |
157.1 |
-5.6 |
0.411 |
0 |
0 |
0 |
0.057 |
| 13 |
36 |
|
[MBO]S:301 |
10 |
1 |
313 |
f |
S |
x,y,z |
1_555 |
26 |
11 |
18164 |
155.9 |
-5.7 |
0.477 |
0 |
0 |
0 |
0.017 |
| 14 |
37 |
|
[MBO]F:302 |
10 |
1 |
315 |
f |
F |
x,y,z |
1_555 |
27 |
10 |
18259 |
153.5 |
-5.8 |
0.462 |
0 |
0 |
0 |
0.019 |
| 15 |
38 |
|
S |
20 |
7 |
18164 |
◊ |
M |
x-1/2,-y+1/2,-z+5/4 |
6_456 |
20 |
6 |
18802 |
149.5 |
-0.4 |
0.598 |
2 |
0 |
0 |
0.000 |
| 16 |
39 |
|
[MBO]L:302 |
9 |
1 |
315 |
f |
L |
x,y,z |
1_555 |
19 |
6 |
18575 |
141.4 |
-3.3 |
0.572 |
0 |
0 |
0 |
0.037 |
| 17 |
40 |
|
[MBO]B:301 |
10 |
1 |
314 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
18473 |
140.2 |
-3.6 |
0.682 |
0 |
0 |
0 |
0.038 |
| 18 |
41 |
|
[MBO]K:302 |
9 |
1 |
313 |
f |
K |
x,y,z |
1_555 |
16 |
6 |
18900 |
133.5 |
-3.9 |
0.601 |
0 |
0 |
0 |
0.042 |
| 19 |
42 |
|
[MBO]M:302 |
9 |
1 |
315 |
f |
M |
x,y,z |
1_555 |
16 |
7 |
18802 |
132.4 |
-4.2 |
0.610 |
0 |
0 |
0 |
0.043 |
| 20 |
43 |
|
[MBO]A:302 |
9 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
18885 |
131.9 |
-4.0 |
0.585 |
0 |
0 |
0 |
0.041 |
| 21 |
44 |
|
[MBO]H:301 |
9 |
1 |
314 |
f |
H |
x,y,z |
1_555 |
15 |
6 |
18121 |
129.0 |
-3.7 |
0.609 |
0 |
0 |
0 |
0.040 |
| 22 |
45 |
|
K |
11 |
5 |
18900 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
18197 |
128.7 |
-2.6 |
0.152 |
0 |
0 |
0 |
0.014 |
46 |
|
N |
12 |
5 |
18824 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
18121 |
127.5 |
-2.1 |
0.240 |
0 |
0 |
0 |
0.014 |
47 |
|
P |
13 |
5 |
18923 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
18885 |
127.4 |
-2.3 |
0.253 |
0 |
0 |
0 |
0.014 |
48 |
|
M |
11 |
5 |
18802 |
◊ |
G |
x,y,z |
1_555 |
11 |
5 |
18991 |
126.8 |
-2.0 |
0.258 |
0 |
0 |
0 |
0.014 |
49 |
|
L |
13 |
6 |
18575 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
18259 |
126.4 |
-2.1 |
0.285 |
0 |
0 |
0 |
0.014 |
50 |
|
R |
13 |
5 |
18400 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
18473 |
125.2 |
-2.1 |
0.275 |
0 |
0 |
0 |
0.014 |
51 |
|
S |
13 |
5 |
18164 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
18660 |
120.9 |
-2.0 |
0.292 |
0 |
0 |
0 |
0.014 |
52 |
|
J |
10 |
5 |
18700 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
18409 |
116.1 |
-1.9 |
0.255 |
0 |
0 |
0 |
0.014 |
53 |
|
O |
11 |
4 |
18914 |
◊ |
I |
x,y,z |
1_555 |
10 |
5 |
18176 |
110.6 |
-1.8 |
0.286 |
0 |
0 |
0 |
0.014 |
| Average: |
123.3 |
-2.1 |
0.255 |
0 |
0 |
0 |
0.014 |
| 23 |
54 |
|
H |
15 |
5 |
18121 |
◊ |
K |
-y+1/2,x-1/2,z-1/4 |
3_544 |
16 |
5 |
18900 |
108.0 |
-0.3 |
0.600 |
2 |
0 |
0 |
0.000 |
| 24 |
55 |
|
[HG]P:301 |
1 |
1 |
137 |
f |
P |
x,y,z |
1_555 |
12 |
6 |
18923 |
82.8 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.252 |
56 |
|
[HG]G:302 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
18991 |
79.9 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.252 |
57 |
|
[HG]O:302 |
1 |
1 |
137 |
f |
O |
x,y,z |
1_555 |
11 |
6 |
18914 |
79.4 |
-26.1 |
0.000 |
0 |
0 |
0 |
0.252 |
58 |
|
[HG]R:302 |
1 |
1 |
137 |
f |
R |
x,y,z |
1_555 |
11 |
6 |
18400 |
76.8 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.252 |
59 |
|
[HG]D:302 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
18409 |
75.6 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.252 |
60 |
|
[HG]F:301 |
1 |
1 |
137 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
18259 |
75.0 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.252 |
61 |
|
[HG]N:302 |
1 |
1 |
137 |
f |
N |
x,y,z |
1_555 |
7 |
4 |
18824 |
74.1 |
-26.6 |
0.000 |
0 |
0 |
0 |
0.252 |
62 |
|
[HG]E:302 |
1 |
1 |
137 |
f |
E |
x,y,z |
1_555 |
8 |
5 |
18197 |
72.6 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.252 |
63 |
|
[HG]C:302 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
18660 |
71.8 |
-26.5 |
0.000 |
0 |
0 |
0 |
0.252 |
64 |
|
[HG]J:302 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
9 |
5 |
18700 |
70.8 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.252 |
65 |
|
[HG]I:301 |
1 |
1 |
137 |
f |
I |
x,y,z |
1_555 |
7 |
4 |
18176 |
70.1 |
-26.7 |
0.000 |
0 |
0 |
0 |
0.252 |
66 |
|
[HG]S:302 |
1 |
1 |
137 |
f |
S |
x,y,z |
1_555 |
2 |
2 |
18164 |
68.5 |
-27.3 |
0.000 |
0 |
0 |
0 |
0.252 |
| Average: |
74.8 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.252 |
| 25 |
67 |
|
[HG]N:301 |
1 |
1 |
137 |
f |
N |
x,y,z |
1_555 |
9 |
6 |
18824 |
74.0 |
-26.3 |
0.000 |
0 |
0 |
0 |
0.076 |
68 |
|
[HG]J:301 |
1 |
1 |
137 |
f |
J |
x,y,z |
1_555 |
14 |
6 |
18700 |
72.8 |
-25.6 |
0.000 |
0 |
0 |
0 |
0.076 |
| Average: |
73.4 |
-26.0 |
0.000 |
0 |
0 |
0 |
0.076 |
| 26 |
69 |
|
[MBO]A:302 |
3 |
1 |
316 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18473 |
21.3 |
0.8 |
0.959 |
1 |
0 |
0 |
0.000 |
| 27 |
70 |
|
[MBO]M:302 |
1 |
1 |
315 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
18575 |
20.1 |
1.0 |
0.989 |
1 |
0 |
0 |
0.000 |
| 28 |
71 |
|
C |
5 |
2 |
18660 |
◊ |
P |
-y+3/2,x-1/2,z-1/4 |
3_644 |
1 |
1 |
18923 |
17.1 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 29 |
72 |
|
R |
2 |
1 |
18400 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
18660 |
15.3 |
-0.5 |
0.297 |
0 |
0 |
0 |
0.003 |
73 |
|
K |
2 |
1 |
18900 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
18259 |
14.2 |
-0.5 |
0.318 |
0 |
0 |
0 |
0.003 |
74 |
|
M |
1 |
1 |
18802 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
18121 |
13.8 |
-0.4 |
0.193 |
0 |
0 |
0 |
0.003 |
75 |
|
P |
2 |
1 |
18923 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
18473 |
13.5 |
-0.4 |
0.252 |
0 |
0 |
0 |
0.003 |
76 |
|
N |
1 |
1 |
18824 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
18176 |
13.3 |
-0.4 |
0.260 |
0 |
0 |
0 |
0.003 |
77 |
|
O |
2 |
1 |
18914 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
18885 |
13.0 |
-0.4 |
0.256 |
0 |
0 |
0 |
0.003 |
78 |
|
L |
2 |
1 |
18575 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
18991 |
12.3 |
-0.4 |
0.265 |
0 |
0 |
0 |
0.003 |
79 |
|
S |
2 |
1 |
18164 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
18409 |
9.0 |
-0.3 |
0.321 |
0 |
0 |
0 |
0.003 |
80 |
|
J |
1 |
1 |
18700 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
18197 |
6.6 |
-0.2 |
0.372 |
0 |
0 |
0 |
0.003 |
| Average: |
12.3 |
-0.4 |
0.282 |
0 |
0 |
0 |
0.003 |
| 30 |
81 |
|
J |
2 |
1 |
18700 |
◊ |
N |
x-1/2,-y+1/2,-z+5/4 |
6_456 |
2 |
2 |
18824 |
15.0 |
0.4 |
0.780 |
0 |
0 |
0 |
0.000 |
| 31 |
82 |
|
C |
2 |
1 |
18660 |
◊ |
O |
-y+3/2,x-1/2,z-1/4 |
3_644 |
1 |
1 |
18914 |
8.6 |
0.1 |
0.666 |
0 |
0 |
0 |
0.000 |
| 32 |
83 |
|
[MBO]L:302 |
3 |
1 |
315 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
18900 |
7.9 |
-0.0 |
0.634 |
0 |
0 |
0 |
0.000 |
| 33 |
84 |
|
[MBO]M:302 |
1 |
1 |
315 |
◊ |
K |
x,y,z |
1_555 |
1 |
1 |
18900 |
4.3 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| 34 |
85 |
|
G |
1 |
1 |
18991 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
18197 |
0.9 |
0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
|