## |
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 |
|
W |
163 |
39 |
6024 |
◊ |
V |
x,y,z |
1_555 |
183 |
40 |
11702 |
1715.4 |
-20.5 |
0.309 |
19 |
9 |
0 |
1.000 |
2 |
|
E |
165 |
37 |
5809 |
◊ |
D |
x,y,z |
1_555 |
179 |
43 |
12121 |
1670.4 |
-23.0 |
0.219 |
22 |
12 |
0 |
1.000 |
3 |
|
H |
163 |
37 |
6074 |
◊ |
G |
x,y,z |
1_555 |
176 |
41 |
12805 |
1640.8 |
-24.4 |
0.145 |
20 |
7 |
0 |
1.000 |
4 |
|
T |
157 |
36 |
5899 |
◊ |
S |
x,y,z |
1_555 |
178 |
40 |
12208 |
1625.1 |
-24.3 |
0.166 |
15 |
6 |
0 |
1.000 |
5 |
|
N |
153 |
37 |
6027 |
◊ |
M |
x,y,z |
1_555 |
179 |
41 |
11438 |
1621.8 |
-23.0 |
0.178 |
18 |
10 |
0 |
1.000 |
6 |
|
Z |
156 |
36 |
5587 |
◊ |
Y |
x,y,z |
1_555 |
179 |
42 |
11560 |
1607.9 |
-22.5 |
0.194 |
20 |
11 |
0 |
1.000 |
7 |
|
Q |
153 |
37 |
6045 |
◊ |
P |
x,y,z |
1_555 |
175 |
42 |
12688 |
1580.2 |
-24.3 |
0.151 |
20 |
8 |
0 |
1.000 |
8 |
|
B |
150 |
37 |
6386 |
◊ |
A |
x,y,z |
1_555 |
175 |
44 |
12510 |
1579.3 |
-27.6 |
0.053 |
16 |
6 |
0 |
1.000 |
9 |
|
K |
152 |
36 |
6087 |
◊ |
J |
x,y,z |
1_555 |
170 |
40 |
12744 |
1558.9 |
-24.9 |
0.104 |
16 |
7 |
0 |
1.000 |
Average: |
1622.2 |
-23.8 |
0.169 |
18 |
8 |
0 |
1.000 |
2 |
10 |
|
G |
88 |
34 |
12805 |
◊ |
A |
x,y,z |
1_555 |
85 |
31 |
12510 |
844.7 |
8.3 |
0.957 |
14 |
3 |
0 |
0.000 |
11 |
|
J |
86 |
29 |
12744 |
◊ |
P |
x,y,z-1 |
1_554 |
88 |
34 |
12688 |
812.8 |
10.4 |
0.978 |
14 |
3 |
0 |
0.000 |
Average: |
828.8 |
9.4 |
0.968 |
14 |
3 |
0 |
0.000 |
3 |
12 |
|
C |
78 |
5 |
1553 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
12510 |
830.6 |
-4.0 |
0.821 |
20 |
0 |
0 |
0.707 |
13 |
|
F |
79 |
5 |
1530 |
◊ |
D |
x,y,z |
1_555 |
97 |
27 |
12121 |
812.5 |
-4.8 |
0.746 |
21 |
0 |
0 |
0.707 |
14 |
|
R |
77 |
5 |
1540 |
◊ |
P |
x,y,z |
1_555 |
96 |
28 |
12688 |
794.9 |
-4.6 |
0.785 |
17 |
0 |
0 |
0.707 |
15 |
|
L |
78 |
5 |
1530 |
◊ |
J |
x,y,z |
1_555 |
85 |
27 |
12744 |
788.7 |
-3.6 |
0.804 |
28 |
0 |
0 |
0.707 |
16 |
|
I |
73 |
5 |
1520 |
◊ |
G |
x,y,z |
1_555 |
88 |
24 |
12805 |
763.1 |
-4.6 |
0.728 |
17 |
0 |
0 |
0.707 |
Average: |
798.0 |
-4.3 |
0.777 |
21 |
0 |
0 |
0.707 |
4 |
17 |
|
U |
81 |
5 |
1562 |
◊ |
S |
x,y,z |
1_555 |
94 |
26 |
12208 |
815.3 |
-7.1 |
0.608 |
18 |
0 |
0 |
0.504 |
18 |
|
O |
70 |
5 |
1589 |
◊ |
M |
x,y,z |
1_555 |
79 |
25 |
11438 |
718.2 |
-4.2 |
0.713 |
18 |
0 |
0 |
0.504 |
19 |
|
1 |
69 |
5 |
1590 |
◊ |
Y |
x,y,z |
1_555 |
86 |
25 |
11560 |
698.3 |
-2.6 |
0.743 |
17 |
0 |
0 |
0.504 |
20 |
|
X |
67 |
5 |
1609 |
◊ |
V |
x,y,z |
1_555 |
78 |
25 |
11702 |
693.0 |
-4.4 |
0.544 |
14 |
0 |
0 |
0.504 |
Average: |
731.2 |
-4.6 |
0.652 |
17 |
0 |
0 |
0.504 |
5 |
21 |
|
B |
64 |
14 |
6386 |
◊ |
G |
x,y,z |
1_555 |
56 |
16 |
12805 |
531.8 |
-4.0 |
0.312 |
3 |
0 |
0 |
0.000 |
22 |
|
J |
53 |
15 |
12744 |
◊ |
Q |
x,y,z-1 |
1_554 |
58 |
15 |
6045 |
515.5 |
-4.9 |
0.326 |
3 |
0 |
0 |
0.000 |
23 |
|
H |
54 |
14 |
6074 |
◊ |
A |
x,y,z |
1_555 |
52 |
16 |
12510 |
473.1 |
-3.6 |
0.412 |
3 |
0 |
0 |
0.000 |
24 |
|
K |
53 |
13 |
6087 |
◊ |
P |
x,y,z-1 |
1_554 |
47 |
12 |
12688 |
470.9 |
-3.9 |
0.329 |
3 |
0 |
0 |
0.000 |
Average: |
497.8 |
-4.1 |
0.345 |
3 |
0 |
0 |
0.000 |
6 |
25 |
|
T |
49 |
13 |
5899 |
◊ |
V |
-x,y-1/2,-z+1 |
2_546 |
55 |
14 |
11702 |
519.4 |
-7.7 |
0.298 |
2 |
0 |
0 |
0.100 |
26 |
|
Q |
46 |
12 |
6045 |
◊ |
S |
x,y,z |
1_555 |
58 |
16 |
12208 |
500.3 |
-7.0 |
0.314 |
2 |
2 |
0 |
0.100 |
27 |
|
E |
50 |
12 |
5809 |
◊ |
P |
x,y,z |
1_555 |
53 |
15 |
12688 |
497.2 |
-7.9 |
0.289 |
2 |
1 |
0 |
0.100 |
28 |
|
Z |
47 |
13 |
5587 |
◊ |
M |
x,y,z |
1_555 |
52 |
16 |
11438 |
478.2 |
-5.1 |
0.463 |
2 |
1 |
0 |
0.100 |
29 |
|
H |
47 |
13 |
6074 |
◊ |
D |
x,y,z |
1_555 |
54 |
16 |
12121 |
475.8 |
-6.1 |
0.365 |
3 |
1 |
0 |
0.100 |
30 |
|
N |
49 |
12 |
6027 |
◊ |
G |
x,y,z |
1_555 |
51 |
14 |
12805 |
447.6 |
-5.2 |
0.455 |
1 |
2 |
0 |
0.100 |
Average: |
486.4 |
-6.5 |
0.364 |
2 |
1 |
0 |
0.100 |
7 |
31 |
|
W |
41 |
12 |
6024 |
◊ |
Y |
x,y,z |
1_555 |
49 |
16 |
11560 |
426.3 |
-7.0 |
0.234 |
2 |
1 |
0 |
0.000 |
8 |
32 |
|
M |
29 |
7 |
11438 |
◊ |
D |
x,y,z |
1_555 |
31 |
9 |
12121 |
265.1 |
-1.3 |
0.459 |
3 |
0 |
0 |
0.000 |
33 |
|
P |
25 |
6 |
12688 |
◊ |
V |
-x,y-1/2,-z+1 |
2_546 |
33 |
8 |
11702 |
258.2 |
-1.4 |
0.507 |
2 |
0 |
0 |
0.000 |
34 |
|
P |
31 |
8 |
12688 |
◊ |
G |
x,y,z |
1_555 |
27 |
6 |
12805 |
254.8 |
-1.5 |
0.469 |
2 |
0 |
0 |
0.000 |
35 |
|
Y |
25 |
6 |
11560 |
◊ |
G |
x,y,z |
1_555 |
36 |
10 |
12805 |
250.1 |
-0.9 |
0.548 |
2 |
0 |
0 |
0.000 |
36 |
|
S |
34 |
8 |
12208 |
◊ |
D |
x,y,z |
1_555 |
24 |
6 |
12121 |
239.7 |
-1.3 |
0.500 |
2 |
0 |
0 |
0.000 |
Average: |
253.6 |
-1.3 |
0.497 |
2 |
0 |
0 |
0.000 |
9 |
37 |
|
K |
24 |
8 |
6087 |
◊ |
S |
x,y,z |
1_555 |
30 |
10 |
12208 |
250.8 |
-3.4 |
0.387 |
6 |
1 |
0 |
0.000 |
38 |
|
D |
29 |
9 |
12121 |
◊ |
B |
x-1,y,z |
1_455 |
23 |
7 |
6386 |
237.3 |
-4.8 |
0.215 |
3 |
2 |
0 |
0.000 |
Average: |
244.0 |
-4.1 |
0.301 |
5 |
2 |
0 |
0.000 |
10 |
39 |
|
Y |
31 |
8 |
11560 |
◊ |
B |
x-1,y,z |
1_455 |
18 |
4 |
6386 |
235.6 |
-2.5 |
0.420 |
1 |
0 |
0 |
0.000 |
40 |
|
K |
16 |
4 |
6087 |
◊ |
G |
x,y,z |
1_555 |
25 |
7 |
12805 |
204.8 |
-3.2 |
0.287 |
1 |
0 |
0 |
0.000 |
Average: |
220.2 |
-2.8 |
0.353 |
1 |
0 |
0 |
0.000 |
11 |
41 |
|
S |
25 |
7 |
12208 |
◊ |
J |
x,y,z |
1_555 |
28 |
8 |
12744 |
225.1 |
-0.1 |
0.567 |
3 |
2 |
0 |
0.000 |
42 |
|
D |
18 |
5 |
12121 |
◊ |
A |
x-1,y,z |
1_455 |
24 |
7 |
12510 |
166.5 |
-1.1 |
0.456 |
3 |
1 |
0 |
0.000 |
Average: |
195.8 |
-0.6 |
0.512 |
3 |
2 |
0 |
0.000 |
12 |
43 |
|
W |
27 |
7 |
6024 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
12510 |
217.5 |
1.1 |
0.792 |
3 |
0 |
0 |
0.000 |
13 |
44 |
|
S |
21 |
4 |
12208 |
◊ |
Y |
-x,y-1/2,-z+1 |
2_546 |
26 |
7 |
11560 |
155.9 |
-1.0 |
0.532 |
2 |
0 |
0 |
0.000 |
14 |
45 |
|
M |
13 |
4 |
11438 |
◊ |
B |
x-1,y,z |
1_455 |
15 |
8 |
6386 |
139.5 |
-1.9 |
0.326 |
0 |
0 |
0 |
0.000 |
46 |
|
K |
15 |
8 |
6087 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12121 |
125.7 |
-2.1 |
0.351 |
0 |
0 |
0 |
0.000 |
Average: |
132.6 |
-2.0 |
0.339 |
0 |
0 |
0 |
0.000 |
15 |
47 |
|
V |
12 |
3 |
11702 |
◊ |
M |
x,y,z |
1_555 |
20 |
7 |
11438 |
139.3 |
-1.2 |
0.449 |
0 |
0 |
0 |
0.000 |
16 |
48 |
|
J |
14 |
3 |
12744 |
◊ |
R |
x,y,z-1 |
1_554 |
15 |
1 |
1540 |
126.4 |
-3.2 |
0.367 |
1 |
0 |
0 |
0.000 |
17 |
49 |
|
C |
14 |
1 |
1553 |
◊ |
G |
x,y,z |
1_555 |
13 |
3 |
12805 |
124.2 |
-2.4 |
0.393 |
1 |
0 |
0 |
0.000 |
50 |
|
I |
13 |
1 |
1520 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
12510 |
116.8 |
-1.6 |
0.406 |
2 |
0 |
0 |
0.000 |
51 |
|
L |
12 |
1 |
1530 |
◊ |
P |
x,y,z-1 |
1_554 |
15 |
3 |
12688 |
115.4 |
-0.8 |
0.490 |
0 |
0 |
0 |
0.000 |
Average: |
118.8 |
-1.6 |
0.430 |
1 |
0 |
0 |
0.000 |
18 |
52 |
|
M |
18 |
8 |
11438 |
◊ |
A |
x-1,y,z |
1_455 |
11 |
4 |
12510 |
117.7 |
-0.1 |
0.615 |
1 |
0 |
0 |
0.000 |
53 |
|
J |
8 |
3 |
12744 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12121 |
63.1 |
-0.6 |
0.480 |
1 |
0 |
0 |
0.000 |
Average: |
90.4 |
-0.3 |
0.548 |
1 |
0 |
0 |
0.000 |
19 |
54 |
|
J |
3 |
1 |
12744 |
◊ |
N |
x,y,z-1 |
1_554 |
5 |
3 |
6027 |
55.8 |
1.4 |
0.852 |
0 |
0 |
0 |
0.000 |
20 |
55 |
|
[ZN]Y:302 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
1 |
1 |
11560 |
40.5 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.558 |
21 |
56 |
|
J |
5 |
1 |
12744 |
◊ |
M |
x,y,z-1 |
1_554 |
1 |
1 |
11438 |
36.4 |
-0.1 |
0.142 |
0 |
0 |
0 |
0.000 |
22 |
57 |
|
V |
3 |
1 |
11702 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
12510 |
35.6 |
1.5 |
0.860 |
0 |
0 |
0 |
0.000 |
23 |
58 |
|
B |
2 |
1 |
6386 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
11702 |
30.6 |
-0.1 |
0.213 |
0 |
0 |
0 |
0.000 |
24 |
59 |
|
Z |
4 |
1 |
5587 |
◊ |
N |
x,y,z-1 |
1_554 |
4 |
2 |
6027 |
24.2 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
25 |
60 |
|
D |
6 |
2 |
12121 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
2 |
6074 |
22.7 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
61 |
|
S |
2 |
1 |
12208 |
◊ |
Q |
x,y,z-1 |
1_554 |
3 |
1 |
6045 |
21.3 |
0.0 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
22.0 |
0.1 |
0.575 |
0 |
0 |
0 |
0.000 |
26 |
62 |
|
[ZN]A:301 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
1553 |
22.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.579 |
63 |
|
[ZN]Y:301 |
1 |
1 |
98 |
f |
1 |
x,y,z |
1_555 |
4 |
2 |
1590 |
21.2 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.579 |
64 |
|
[ZN]M:301 |
1 |
1 |
98 |
f |
O |
x,y,z |
1_555 |
3 |
2 |
1589 |
20.8 |
-8.8 |
0.000 |
0 |
0 |
0 |
0.579 |
65 |
|
[ZN]J:301 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
3 |
2 |
1530 |
20.5 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.579 |
66 |
|
[ZN]V:301 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
4 |
2 |
1609 |
19.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.579 |
67 |
|
[ZN]S:301 |
1 |
1 |
98 |
f |
U |
x,y,z |
1_555 |
2 |
2 |
1562 |
18.0 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.579 |
68 |
|
[ZN]D:301 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
1 |
1 |
1530 |
15.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.579 |
69 |
|
[ZN]G:301 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
2 |
2 |
1520 |
14.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.579 |
Average: |
19.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.579 |
27 |
70 |
|
[ZN]S:302 |
1 |
1 |
98 |
◊ |
U |
x,y,z |
1_555 |
2 |
1 |
1562 |
19.6 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.576 |
71 |
|
[ZN]G:302 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
2 |
1 |
1520 |
19.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.576 |
72 |
|
[ZN]M:302 |
1 |
1 |
98 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
1589 |
19.4 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.576 |
73 |
|
[ZN]V:302 |
1 |
1 |
98 |
◊ |
X |
x,y,z |
1_555 |
2 |
1 |
1609 |
18.5 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.576 |
74 |
|
[ZN]P:302 |
1 |
1 |
98 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
1540 |
18.2 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.576 |
75 |
|
[ZN]D:302 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
1530 |
18.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.576 |
76 |
|
[ZN]J:302 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
1530 |
17.9 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.576 |
77 |
|
[ZN]A:302 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
1553 |
17.8 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.576 |
78 |
|
[ZN]Y:302 |
1 |
1 |
98 |
◊ |
1 |
x,y,z |
1_555 |
2 |
1 |
1590 |
17.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.576 |
Average: |
18.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.576 |
28 |
79 |
|
K |
3 |
3 |
6087 |
◊ |
H |
x,y,z |
1_555 |
4 |
3 |
6074 |
17.6 |
0.1 |
0.680 |
0 |
0 |
0 |
0.000 |
80 |
|
Z |
3 |
3 |
5587 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
2 |
6386 |
10.1 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
13.9 |
-0.0 |
0.627 |
0 |
0 |
0 |
0.000 |
29 |
81 |
|
[ZN]P:301 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
2 |
2 |
1540 |
16.5 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.469 |
30 |
82 |
|
S |
1 |
1 |
12208 |
◊ |
V |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
11702 |
7.1 |
-0.2 |
0.294 |
0 |
0 |
0 |
0.000 |
83 |
|
M |
1 |
1 |
11438 |
◊ |
G |
x,y,z |
1_555 |
1 |
1 |
12805 |
5.8 |
-0.2 |
0.337 |
0 |
0 |
0 |
0.000 |
84 |
|
P |
1 |
1 |
12688 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12121 |
4.6 |
-0.1 |
0.372 |
0 |
0 |
0 |
0.000 |
85 |
|
S |
1 |
1 |
12208 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
12688 |
4.4 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
86 |
|
G |
1 |
1 |
12805 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12121 |
4.2 |
-0.1 |
0.392 |
0 |
0 |
0 |
0.000 |
87 |
|
Y |
1 |
1 |
11560 |
◊ |
V |
x,y,z |
1_555 |
1 |
1 |
11702 |
3.6 |
-0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
88 |
|
Y |
1 |
1 |
11560 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
11438 |
2.3 |
-0.1 |
0.452 |
0 |
0 |
0 |
0.000 |
Average: |
4.6 |
-0.1 |
0.375 |
0 |
0 |
0 |
0.000 |
31 |
89 |
|
I |
1 |
1 |
1520 |
◊ |
W |
x,y,z |
1_555 |
1 |
1 |
6024 |
0.2 |
-0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
32 |
90 |
|
F |
1 |
1 |
1530 |
◊ |
Z |
x,y,z |
1_555 |
1 |
1 |
5587 |
0.1 |
-0.0 |
0.552 |
0 |
0 |
0 |
0.000 |
|