## |
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 |
|
K |
168 |
41 |
9270 |
◊ |
E |
x,y,z |
1_555 |
169 |
44 |
9770 |
1640.0 |
-14.0 |
0.341 |
21 |
12 |
0 |
1.000 |
2 |
|
N |
163 |
42 |
9533 |
◊ |
W |
-x,y-1/2,-z |
2_545 |
160 |
40 |
8975 |
1526.6 |
-14.2 |
0.260 |
18 |
12 |
0 |
1.000 |
3 |
|
T |
166 |
43 |
9519 |
◊ |
Q |
-x+1,y-1/2,-z |
2_645 |
169 |
41 |
9463 |
1525.4 |
-15.8 |
0.288 |
16 |
8 |
0 |
1.000 |
4 |
|
H |
150 |
37 |
8987 |
◊ |
B |
x,y,z |
1_555 |
162 |
41 |
9510 |
1446.5 |
-14.3 |
0.163 |
21 |
12 |
0 |
1.000 |
Average: |
1534.6 |
-14.6 |
0.263 |
19 |
11 |
0 |
1.000 |
2 |
5 |
|
L |
65 |
20 |
3539 |
◊ |
C |
x-1,y,z |
1_455 |
69 |
20 |
3397 |
809.9 |
-16.7 |
0.556 |
1 |
0 |
0 |
1.000 |
6 |
|
I |
65 |
21 |
3780 |
◊ |
F |
x,y,z |
1_555 |
68 |
20 |
3315 |
770.3 |
-15.3 |
0.740 |
4 |
0 |
0 |
1.000 |
7 |
|
X |
66 |
19 |
3335 |
◊ |
R |
x-1,y,z |
1_455 |
60 |
18 |
3339 |
690.7 |
-13.9 |
0.646 |
2 |
0 |
0 |
1.000 |
8 |
|
O |
58 |
18 |
3367 |
◊ |
U |
x-1,y,z |
1_455 |
59 |
18 |
3449 |
677.7 |
-12.8 |
0.635 |
1 |
0 |
0 |
1.000 |
Average: |
737.2 |
-14.7 |
0.644 |
2 |
0 |
0 |
1.000 |
3 |
9 |
|
W |
78 |
23 |
8975 |
◊ |
V |
x,y,z |
1_555 |
68 |
14 |
8525 |
676.4 |
-4.2 |
0.407 |
7 |
0 |
0 |
0.000 |
10 |
|
B |
78 |
24 |
9510 |
◊ |
A |
x,y,z |
1_555 |
67 |
15 |
9134 |
672.1 |
-5.8 |
0.261 |
8 |
0 |
0 |
0.000 |
11 |
|
T |
78 |
24 |
9519 |
◊ |
S |
x,y,z |
1_555 |
66 |
16 |
8755 |
651.0 |
-7.4 |
0.217 |
9 |
0 |
0 |
0.000 |
12 |
|
H |
68 |
20 |
8987 |
◊ |
G |
x,y,z |
1_555 |
65 |
16 |
8956 |
649.7 |
-5.5 |
0.257 |
8 |
1 |
0 |
0.000 |
13 |
|
N |
76 |
24 |
9533 |
◊ |
M |
x,y,z |
1_555 |
67 |
16 |
9017 |
646.9 |
-6.6 |
0.339 |
6 |
0 |
0 |
0.000 |
14 |
|
Q |
74 |
22 |
9463 |
◊ |
P |
x,y,z |
1_555 |
61 |
14 |
8698 |
623.9 |
-6.6 |
0.256 |
4 |
1 |
0 |
0.000 |
15 |
|
K |
70 |
23 |
9270 |
◊ |
J |
x,y,z |
1_555 |
61 |
14 |
8946 |
621.6 |
-6.8 |
0.211 |
6 |
0 |
0 |
0.000 |
16 |
|
E |
71 |
23 |
9770 |
◊ |
D |
x,y,z |
1_555 |
59 |
13 |
9020 |
619.0 |
-6.3 |
0.265 |
8 |
0 |
0 |
0.000 |
Average: |
645.1 |
-6.2 |
0.277 |
7 |
0 |
0 |
0.000 |
4 |
17 |
|
U |
50 |
14 |
3449 |
◊ |
S |
x,y,z |
1_555 |
54 |
16 |
8755 |
533.0 |
-10.4 |
0.216 |
3 |
0 |
0 |
0.273 |
18 |
|
X |
53 |
14 |
3335 |
◊ |
V |
x,y,z |
1_555 |
57 |
18 |
8525 |
523.6 |
-10.5 |
0.249 |
3 |
0 |
0 |
0.273 |
19 |
|
I |
49 |
13 |
3780 |
◊ |
G |
x,y,z |
1_555 |
57 |
17 |
8956 |
516.4 |
-10.0 |
0.222 |
3 |
0 |
0 |
0.273 |
20 |
|
L |
47 |
13 |
3539 |
◊ |
J |
x,y,z |
1_555 |
55 |
17 |
8946 |
514.3 |
-10.3 |
0.275 |
3 |
0 |
0 |
0.273 |
21 |
|
O |
47 |
13 |
3367 |
◊ |
M |
x,y,z |
1_555 |
53 |
16 |
9017 |
492.9 |
-10.6 |
0.215 |
3 |
0 |
0 |
0.273 |
22 |
|
F |
48 |
13 |
3315 |
◊ |
D |
x,y,z |
1_555 |
55 |
18 |
9020 |
485.2 |
-10.8 |
0.234 |
3 |
0 |
0 |
0.273 |
23 |
|
C |
46 |
12 |
3397 |
◊ |
A |
x,y,z |
1_555 |
58 |
17 |
9134 |
484.8 |
-9.7 |
0.213 |
3 |
0 |
0 |
0.273 |
24 |
|
R |
41 |
12 |
3339 |
◊ |
P |
x,y,z |
1_555 |
53 |
15 |
8698 |
476.1 |
-11.3 |
0.141 |
3 |
0 |
0 |
0.273 |
Average: |
503.3 |
-10.5 |
0.221 |
3 |
0 |
0 |
0.273 |
5 |
25 |
|
[GNP]D:200 |
30 |
1 |
628 |
f |
D |
x,y,z |
1_555 |
58 |
24 |
9020 |
411.3 |
-2.9 |
0.532 |
23 |
0 |
0 |
0.283 |
26 |
|
[GNP]A:200 |
30 |
1 |
627 |
f |
A |
x,y,z |
1_555 |
56 |
25 |
9134 |
410.7 |
-3.3 |
0.520 |
21 |
0 |
0 |
0.283 |
27 |
|
[GNP]S:200 |
31 |
1 |
625 |
f |
S |
x,y,z |
1_555 |
54 |
22 |
8755 |
409.6 |
-3.0 |
0.520 |
19 |
0 |
0 |
0.283 |
28 |
|
[GNP]G:200 |
31 |
1 |
627 |
f |
G |
x,y,z |
1_555 |
55 |
23 |
8956 |
408.6 |
-3.0 |
0.536 |
22 |
0 |
0 |
0.283 |
29 |
|
[GNP]J:200 |
30 |
1 |
624 |
f |
J |
x,y,z |
1_555 |
56 |
23 |
8946 |
406.8 |
-3.1 |
0.536 |
22 |
0 |
0 |
0.283 |
30 |
|
[GNP]P:200 |
30 |
1 |
623 |
f |
P |
x,y,z |
1_555 |
55 |
24 |
8698 |
406.8 |
-3.2 |
0.543 |
21 |
0 |
0 |
0.283 |
31 |
|
[GNP]M:200 |
30 |
1 |
624 |
f |
M |
x,y,z |
1_555 |
53 |
23 |
9017 |
405.4 |
-3.0 |
0.551 |
23 |
0 |
0 |
0.283 |
32 |
|
[GNP]V:200 |
30 |
1 |
631 |
f |
V |
x,y,z |
1_555 |
56 |
23 |
8525 |
395.2 |
-3.1 |
0.530 |
22 |
0 |
0 |
0.283 |
Average: |
406.8 |
-3.1 |
0.534 |
22 |
0 |
0 |
0.283 |
6 |
33 |
|
Q |
36 |
13 |
9463 |
◊ |
M |
x,y,z |
1_555 |
44 |
15 |
9017 |
355.9 |
-1.7 |
0.454 |
3 |
0 |
0 |
0.027 |
7 |
34 |
|
D |
33 |
9 |
9020 |
◊ |
W |
x,y-1,z |
1_545 |
32 |
11 |
8975 |
307.9 |
-1.4 |
0.477 |
2 |
1 |
0 |
0.000 |
35 |
|
H |
31 |
11 |
8987 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
28 |
8 |
8946 |
260.3 |
-0.6 |
0.586 |
2 |
0 |
0 |
0.000 |
Average: |
284.1 |
-1.0 |
0.531 |
2 |
1 |
0 |
0.000 |
8 |
36 |
|
E |
32 |
7 |
9770 |
◊ |
S |
x,y,z |
1_555 |
28 |
8 |
8755 |
265.8 |
-0.5 |
0.629 |
1 |
2 |
0 |
0.000 |
9 |
37 |
|
D |
28 |
10 |
9020 |
◊ |
G |
x-1,y,z |
1_455 |
22 |
6 |
8956 |
224.1 |
0.5 |
0.710 |
4 |
1 |
0 |
0.000 |
38 |
|
S |
21 |
9 |
8755 |
◊ |
M |
x,y,z |
1_555 |
12 |
6 |
9017 |
124.3 |
0.7 |
0.745 |
1 |
0 |
0 |
0.000 |
Average: |
174.2 |
0.6 |
0.727 |
3 |
1 |
0 |
0.000 |
10 |
39 |
|
J |
19 |
6 |
8946 |
◊ |
C |
x-1,y,z |
1_455 |
22 |
5 |
3397 |
220.8 |
-0.8 |
0.559 |
2 |
0 |
0 |
0.069 |
40 |
|
M |
18 |
6 |
9017 |
◊ |
U |
x-1,y,z |
1_455 |
21 |
5 |
3449 |
204.0 |
-1.0 |
0.429 |
5 |
1 |
0 |
0.069 |
41 |
|
L |
17 |
3 |
3539 |
◊ |
A |
x-1,y,z |
1_455 |
19 |
6 |
9134 |
193.3 |
-2.5 |
0.266 |
2 |
0 |
0 |
0.069 |
42 |
|
I |
17 |
3 |
3780 |
◊ |
D |
x,y,z |
1_555 |
17 |
6 |
9020 |
189.2 |
-1.7 |
0.281 |
4 |
0 |
0 |
0.069 |
43 |
|
O |
19 |
3 |
3367 |
◊ |
S |
x-1,y,z |
1_455 |
16 |
6 |
8755 |
181.2 |
-1.7 |
0.280 |
2 |
0 |
0 |
0.069 |
44 |
|
X |
18 |
3 |
3335 |
◊ |
P |
x-1,y,z |
1_455 |
15 |
7 |
8698 |
163.5 |
-2.7 |
0.295 |
2 |
0 |
0 |
0.069 |
45 |
|
F |
13 |
3 |
3315 |
◊ |
G |
x,y,z |
1_555 |
12 |
4 |
8956 |
122.3 |
-2.5 |
0.294 |
1 |
0 |
0 |
0.069 |
Average: |
182.1 |
-1.8 |
0.343 |
3 |
0 |
0 |
0.069 |
11 |
46 |
|
H |
23 |
8 |
8987 |
◊ |
A |
-x+1,y-1/2,-z-1 |
2_644 |
27 |
7 |
9134 |
220.7 |
-0.3 |
0.603 |
2 |
1 |
0 |
0.000 |
47 |
|
G |
23 |
5 |
8956 |
◊ |
W |
x,y-1,z |
1_545 |
24 |
6 |
8975 |
208.1 |
-0.1 |
0.621 |
2 |
1 |
0 |
0.000 |
Average: |
214.4 |
-0.2 |
0.612 |
2 |
1 |
0 |
0.000 |
12 |
48 |
|
M |
32 |
11 |
9017 |
◊ |
Q |
x-1,y,z |
1_455 |
17 |
9 |
9463 |
198.7 |
0.2 |
0.668 |
2 |
1 |
0 |
0.000 |
13 |
49 |
|
B |
24 |
7 |
9510 |
◊ |
J |
-x,y-1/2,-z-1 |
2_544 |
19 |
5 |
8946 |
164.9 |
-0.1 |
0.595 |
3 |
0 |
0 |
0.000 |
50 |
|
D |
17 |
5 |
9020 |
◊ |
N |
-x,y-1/2,-z |
2_545 |
20 |
5 |
9533 |
145.3 |
0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
155.1 |
0.1 |
0.633 |
2 |
0 |
0 |
0.000 |
14 |
51 |
|
[PG4]V:300 |
11 |
1 |
412 |
◊ |
W |
x,y,z |
1_555 |
22 |
8 |
8975 |
145.9 |
3.3 |
0.275 |
1 |
0 |
0 |
0.000 |
15 |
52 |
|
[PG4]V:300 |
8 |
1 |
412 |
f |
V |
x,y,z |
1_555 |
14 |
6 |
8525 |
119.5 |
0.2 |
0.151 |
1 |
0 |
0 |
0.003 |
16 |
53 |
|
E |
11 |
4 |
9770 |
◊ |
S |
x-1,y,z |
1_455 |
10 |
4 |
8755 |
119.3 |
-0.8 |
0.478 |
0 |
0 |
0 |
0.000 |
17 |
54 |
|
V |
10 |
4 |
8525 |
◊ |
R |
x-1,y,z |
1_455 |
14 |
4 |
3339 |
116.1 |
-2.6 |
0.267 |
1 |
0 |
0 |
0.034 |
18 |
55 |
|
V |
12 |
4 |
8525 |
◊ |
P |
x,y,z |
1_555 |
14 |
7 |
8698 |
107.4 |
2.7 |
0.886 |
4 |
0 |
0 |
0.000 |
56 |
|
J |
13 |
7 |
8946 |
◊ |
A |
x,y,z |
1_555 |
11 |
4 |
9134 |
78.6 |
1.2 |
0.775 |
1 |
0 |
0 |
0.000 |
Average: |
93.0 |
2.0 |
0.831 |
3 |
0 |
0 |
0.000 |
19 |
57 |
|
[SO4]M:1182 |
5 |
1 |
185 |
f |
M |
x,y,z |
1_555 |
16 |
6 |
9017 |
84.8 |
-11.5 |
0.846 |
2 |
0 |
0 |
0.124 |
20 |
58 |
|
Q |
8 |
4 |
9463 |
◊ |
N |
x,y,z |
1_555 |
7 |
3 |
9533 |
71.2 |
-0.1 |
0.393 |
0 |
0 |
0 |
0.000 |
21 |
59 |
|
[SO4]M:1182 |
5 |
1 |
185 |
◊ |
Q |
x,y,z |
1_555 |
7 |
3 |
9463 |
67.8 |
-8.8 |
0.833 |
2 |
0 |
0 |
0.087 |
22 |
60 |
|
O |
6 |
2 |
3367 |
◊ |
Q |
x-1,y,z |
1_455 |
7 |
2 |
9463 |
56.9 |
0.8 |
0.845 |
0 |
0 |
0 |
0.000 |
23 |
61 |
|
[PG4]V:300 |
4 |
1 |
412 |
f |
[GNP]V:200 |
x,y,z |
1_555 |
8 |
1 |
631 |
55.5 |
1.8 |
0.410 |
0 |
0 |
0 |
0.000 |
24 |
62 |
|
K |
6 |
3 |
9270 |
◊ |
P |
x,y,z |
1_555 |
7 |
2 |
8698 |
47.1 |
-0.5 |
0.471 |
0 |
0 |
0 |
0.000 |
25 |
63 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
9134 |
40.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.128 |
64 |
|
[MG]P:201 |
1 |
1 |
98 |
f |
P |
x,y,z |
1_555 |
12 |
7 |
8698 |
39.5 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.128 |
65 |
|
[MG]V:201 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
11 |
6 |
8525 |
39.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.128 |
66 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
8946 |
39.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.128 |
67 |
|
[MG]G:201 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
9 |
5 |
8956 |
38.7 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.128 |
68 |
|
[MG]M:201 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
12 |
6 |
9017 |
38.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.128 |
69 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
9020 |
38.4 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.128 |
70 |
|
[MG]S:201 |
1 |
1 |
98 |
f |
S |
x,y,z |
1_555 |
9 |
5 |
8755 |
37.2 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
38.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.128 |
26 |
71 |
|
I |
4 |
2 |
3780 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
9770 |
37.0 |
0.7 |
0.886 |
1 |
1 |
0 |
0.000 |
27 |
72 |
|
[MG]A:201 |
1 |
1 |
98 |
f |
[GNP]A:200 |
x,y,z |
1_555 |
5 |
1 |
627 |
34.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.098 |
73 |
|
[MG]V:201 |
1 |
1 |
98 |
f |
[GNP]V:200 |
x,y,z |
1_555 |
7 |
1 |
631 |
34.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.098 |
74 |
|
[MG]D:201 |
1 |
1 |
98 |
f |
[GNP]D:200 |
x,y,z |
1_555 |
6 |
1 |
628 |
33.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
75 |
|
[MG]S:201 |
1 |
1 |
98 |
f |
[GNP]S:200 |
x,y,z |
1_555 |
4 |
1 |
625 |
32.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
76 |
|
[MG]P:201 |
1 |
1 |
98 |
f |
[GNP]P:200 |
x,y,z |
1_555 |
4 |
1 |
623 |
32.6 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.098 |
77 |
|
[MG]M:201 |
1 |
1 |
98 |
f |
[GNP]M:200 |
x,y,z |
1_555 |
6 |
1 |
624 |
32.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
78 |
|
[MG]G:201 |
1 |
1 |
98 |
f |
[GNP]G:200 |
x,y,z |
1_555 |
6 |
1 |
627 |
32.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.098 |
79 |
|
[MG]J:201 |
1 |
1 |
98 |
f |
[GNP]J:200 |
x,y,z |
1_555 |
6 |
1 |
624 |
31.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.098 |
Average: |
33.0 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.098 |
28 |
80 |
|
T |
3 |
1 |
9519 |
◊ |
P |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
8698 |
27.6 |
-0.9 |
0.180 |
0 |
0 |
0 |
0.000 |
29 |
81 |
|
[GNP]J:200 |
1 |
1 |
624 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
9270 |
22.7 |
0.4 |
0.687 |
1 |
0 |
0 |
0.000 |
82 |
|
[GNP]D:200 |
1 |
1 |
628 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
9770 |
22.7 |
0.5 |
0.729 |
1 |
0 |
0 |
0.000 |
83 |
|
[GNP]A:200 |
1 |
1 |
627 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
9510 |
22.5 |
0.5 |
0.700 |
1 |
0 |
0 |
0.000 |
84 |
|
[GNP]M:200 |
1 |
1 |
624 |
◊ |
N |
x,y,z |
1_555 |
2 |
1 |
9533 |
22.4 |
0.5 |
0.726 |
1 |
0 |
0 |
0.000 |
85 |
|
[GNP]G:200 |
1 |
1 |
627 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
8987 |
20.5 |
0.5 |
0.716 |
1 |
0 |
0 |
0.000 |
86 |
|
[GNP]S:200 |
1 |
1 |
625 |
◊ |
T |
x,y,z |
1_555 |
1 |
1 |
9519 |
20.3 |
0.5 |
0.740 |
1 |
0 |
0 |
0.000 |
87 |
|
[GNP]P:200 |
1 |
1 |
623 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
9463 |
19.5 |
0.4 |
0.725 |
1 |
0 |
0 |
0.000 |
88 |
|
[GNP]V:200 |
1 |
1 |
631 |
◊ |
W |
x,y,z |
1_555 |
2 |
1 |
8975 |
19.0 |
0.4 |
0.725 |
1 |
0 |
0 |
0.000 |
Average: |
21.2 |
0.5 |
0.719 |
1 |
0 |
0 |
0.000 |
30 |
89 |
|
T |
1 |
1 |
9519 |
◊ |
N |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
9533 |
16.2 |
-0.0 |
0.332 |
0 |
0 |
0 |
0.000 |
31 |
90 |
|
H |
2 |
1 |
8987 |
◊ |
C |
-x+1,y-1/2,-z-1 |
2_644 |
1 |
1 |
3397 |
10.7 |
0.2 |
0.775 |
0 |
0 |
0 |
0.000 |
91 |
|
I |
1 |
1 |
3780 |
◊ |
W |
x,y-1,z |
1_545 |
1 |
1 |
8975 |
0.3 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
Average: |
5.5 |
0.1 |
0.723 |
0 |
0 |
0 |
0.000 |
32 |
92 |
|
H |
1 |
1 |
8987 |
◊ |
L |
-x,y-1/2,-z-1 |
2_544 |
2 |
2 |
3539 |
4.5 |
0.1 |
0.752 |
0 |
0 |
0 |
0.000 |
33 |
93 |
|
E |
1 |
1 |
9770 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
9017 |
1.9 |
-0.0 |
0.587 |
0 |
0 |
0 |
0.000 |
|