## |
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 |
128 |
32 |
3781 |
◊ |
B |
x,y,z |
1_555 |
153 |
49 |
24666 |
1467.2 |
-13.3 |
0.307 |
18 |
7 |
0 |
0.199 |
2 |
|
C |
126 |
35 |
4001 |
◊ |
A |
x,y,z |
1_555 |
147 |
48 |
24881 |
1422.9 |
-14.4 |
0.245 |
22 |
8 |
0 |
0.199 |
Average: |
1445.0 |
-13.9 |
0.276 |
20 |
8 |
0 |
0.199 |
2 |
3 |
|
B |
126 |
32 |
24666 |
◊ |
A |
x,y,z |
1_555 |
121 |
34 |
24881 |
1104.3 |
-17.2 |
0.043 |
10 |
0 |
0 |
0.108 |
3 |
4 |
|
A |
44 |
13 |
24881 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
56 |
16 |
24666 |
440.3 |
-3.1 |
0.430 |
4 |
3 |
0 |
0.000 |
4 |
5 |
|
A |
43 |
12 |
24881 |
◊ |
C |
x-1,y,z |
1_455 |
47 |
10 |
4001 |
372.9 |
-0.9 |
0.685 |
5 |
3 |
0 |
0.000 |
5 |
6 |
|
B |
29 |
8 |
24666 |
x |
B |
x,y,z-1 |
1_554 |
35 |
10 |
24666 |
288.9 |
-2.2 |
0.426 |
2 |
1 |
0 |
0.000 |
6 |
7 |
|
[NAG]B:650 |
14 |
1 |
352 |
cf |
B |
x,y,z |
1_555 |
32 |
13 |
24666 |
213.5 |
5.1 |
0.556 |
4 |
0 |
0 |
0.000 |
7 |
8 |
|
B |
27 |
6 |
24666 |
x |
B |
x-1,y,z |
1_455 |
21 |
7 |
24666 |
213.1 |
-3.0 |
0.265 |
0 |
1 |
0 |
0.000 |
8 |
9 |
|
[NAG]A:650 |
14 |
1 |
362 |
cf |
A |
x,y,z |
1_555 |
32 |
13 |
24881 |
206.2 |
5.4 |
0.580 |
8 |
0 |
0 |
0.000 |
9 |
10 |
|
A |
15 |
5 |
24881 |
x |
A |
x,y,z-1 |
1_554 |
19 |
6 |
24881 |
134.4 |
1.1 |
0.792 |
0 |
2 |
0 |
0.000 |
10 |
11 |
|
[NAG]A:651 |
11 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
24881 |
125.5 |
2.2 |
0.295 |
2 |
0 |
0 |
0.000 |
11 |
12 |
|
[NAG]B:651 |
11 |
1 |
360 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
24666 |
117.8 |
1.1 |
0.185 |
0 |
0 |
0 |
0.000 |
12 |
13 |
|
[NAG]A:600 |
8 |
1 |
359 |
cf |
A |
x,y,z |
1_555 |
15 |
4 |
24881 |
117.6 |
3.0 |
0.475 |
1 |
0 |
0 |
0.000 |
13 |
14 |
|
A |
14 |
5 |
24881 |
x |
A |
x-1,y,z |
1_455 |
16 |
7 |
24881 |
116.0 |
-0.6 |
0.542 |
1 |
3 |
0 |
0.000 |
14 |
15 |
|
[NAG]B:600 |
10 |
1 |
355 |
cf |
B |
x,y,z |
1_555 |
14 |
4 |
24666 |
103.3 |
2.5 |
0.321 |
1 |
0 |
0 |
0.000 |
15 |
16 |
|
[MAN]A:653 |
9 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
24881 |
102.8 |
2.0 |
0.330 |
0 |
0 |
0 |
0.000 |
16 |
17 |
|
[NAG]A:602 |
8 |
1 |
358 |
cf |
[NAG]A:600 |
x,y,z |
1_555 |
7 |
1 |
359 |
76.9 |
1.6 |
0.077 |
2 |
0 |
0 |
0.000 |
17 |
18 |
|
[FUC]A:601 |
7 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
24881 |
73.3 |
2.7 |
0.509 |
1 |
0 |
0 |
0.000 |
18 |
19 |
|
[PT]B:706 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
24666 |
70.9 |
-21.3 |
0.000 |
0 |
0 |
0 |
0.195 |
20 |
|
[PT]A:711 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
24881 |
66.4 |
-17.8 |
0.000 |
0 |
0 |
0 |
0.195 |
Average: |
68.6 |
-19.6 |
0.000 |
0 |
0 |
0 |
0.195 |
19 |
21 |
|
[NAG]B:630 |
8 |
1 |
360 |
cf |
B |
x,y,z |
1_555 |
7 |
2 |
24666 |
70.6 |
2.4 |
0.399 |
0 |
0 |
0 |
0.000 |
20 |
22 |
|
[MAN]A:653 |
7 |
1 |
292 |
cf |
[BMA]A:652 |
x,y,z |
1_555 |
7 |
1 |
292 |
69.3 |
2.6 |
0.180 |
1 |
0 |
0 |
0.000 |
21 |
23 |
|
[NAG]A:651 |
8 |
1 |
361 |
cf |
[NAG]A:650 |
x,y,z |
1_555 |
6 |
1 |
362 |
69.2 |
2.0 |
0.131 |
1 |
0 |
0 |
0.000 |
24 |
|
[NAG]B:651 |
8 |
1 |
360 |
cf |
[NAG]B:650 |
x,y,z |
1_555 |
8 |
1 |
352 |
68.5 |
1.6 |
0.088 |
0 |
0 |
0 |
0.000 |
Average: |
68.8 |
1.8 |
0.109 |
1 |
0 |
0 |
0.000 |
22 |
25 |
|
D |
4 |
2 |
3781 |
◊ |
B |
x-1,y,z |
1_455 |
13 |
4 |
24666 |
68.2 |
0.3 |
0.661 |
1 |
0 |
0 |
0.000 |
23 |
26 |
|
[BMA]A:652 |
6 |
1 |
292 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
24881 |
66.4 |
1.3 |
0.353 |
1 |
0 |
0 |
0.000 |
24 |
27 |
|
[PT]B:714 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
24666 |
64.2 |
-22.9 |
0.000 |
0 |
0 |
0 |
0.211 |
28 |
|
[PT]A:716 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24881 |
61.8 |
-19.4 |
0.000 |
0 |
0 |
0 |
0.211 |
Average: |
63.0 |
-21.1 |
0.000 |
0 |
0 |
0 |
0.211 |
25 |
29 |
|
[PT]B:707 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24881 |
63.2 |
-15.5 |
0.000 |
0 |
0 |
0 |
0.161 |
30 |
|
[PT]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
3 |
2 |
24666 |
57.7 |
-16.8 |
0.000 |
0 |
0 |
0 |
0.161 |
Average: |
60.5 |
-16.2 |
0.000 |
0 |
0 |
0 |
0.161 |
26 |
31 |
|
[FUC]A:601 |
6 |
1 |
281 |
cf |
[NAG]A:600 |
x,y,z |
1_555 |
4 |
1 |
359 |
62.9 |
3.0 |
0.384 |
0 |
0 |
0 |
0.000 |
27 |
32 |
|
[NAG]B:602 |
8 |
1 |
355 |
cf |
[NAG]B:600 |
x,y,z |
1_555 |
6 |
1 |
355 |
62.8 |
1.1 |
0.092 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
[CL]A:736 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
24881 |
62.5 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.060 |
29 |
34 |
|
[CL]A:737 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
24881 |
61.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.060 |
30 |
35 |
|
[CD]B:724 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24666 |
59.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.065 |
36 |
|
[CD]A:722 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
24881 |
56.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.065 |
Average: |
58.0 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.065 |
31 |
37 |
|
[BMA]B:603 |
5 |
1 |
292 |
cf |
[NAG]B:602 |
x,y,z |
1_555 |
6 |
1 |
355 |
59.4 |
1.8 |
0.165 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
[PT]A:719 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
24881 |
58.6 |
-15.0 |
0.000 |
0 |
0 |
0 |
0.113 |
33 |
39 |
|
[BMA]A:652 |
6 |
1 |
292 |
cf |
[NAG]A:651 |
x,y,z |
1_555 |
4 |
1 |
361 |
55.9 |
1.1 |
0.140 |
0 |
0 |
0 |
0.000 |
34 |
40 |
|
[FUC]B:601 |
6 |
1 |
279 |
cf |
[NAG]B:600 |
x,y,z |
1_555 |
5 |
1 |
355 |
54.9 |
2.4 |
0.210 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
[CD]B:726 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
24666 |
53.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.048 |
36 |
42 |
|
[FUC]A:601 |
4 |
1 |
281 |
f |
[NAG]A:602 |
x,y,z |
1_555 |
6 |
1 |
358 |
51.9 |
2.5 |
0.265 |
0 |
0 |
0 |
0.000 |
37 |
43 |
|
[FUC]B:601 |
6 |
1 |
279 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
24666 |
51.0 |
1.8 |
0.457 |
0 |
0 |
0 |
0.000 |
38 |
44 |
|
[CD]C:728 |
1 |
1 |
112 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
4001 |
50.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.100 |
39 |
45 |
|
[CL]A:739 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
24881 |
49.5 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.044 |
40 |
46 |
|
D |
10 |
3 |
3781 |
f |
[CL]B:738 |
x-1,y,z |
1_455 |
1 |
1 |
125 |
46.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.056 |
41 |
47 |
|
[CD]D:729 |
1 |
1 |
112 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
3781 |
45.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.041 |
42 |
48 |
|
[PT]B:707 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
24666 |
44.8 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.089 |
49 |
|
[PT]B:702 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
24881 |
33.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.089 |
Average: |
39.0 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.089 |
43 |
50 |
|
[CD]A:721 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
14 |
9 |
24881 |
44.4 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.037 |
44 |
51 |
|
[CD]B:725 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
24666 |
43.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.033 |
45 |
52 |
|
[CD]B:723 |
1 |
1 |
112 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
4 |
24666 |
41.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
53 |
|
[CD]A:731 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
24666 |
41.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.038 |
54 |
|
[CD]A:731 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
24881 |
39.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
40.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.038 |
47 |
55 |
|
[CD]D:729 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
24666 |
40.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.037 |
48 |
56 |
|
[CD]B:723 |
1 |
1 |
112 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
24666 |
39.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.035 |
49 |
57 |
|
A |
8 |
4 |
24881 |
cf |
[CD]A:730 |
x,y,z-1 |
1_554 |
1 |
1 |
112 |
38.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.024 |
50 |
58 |
|
[FUC]B:601 |
3 |
1 |
279 |
f |
[NAG]B:602 |
x,y,z |
1_555 |
6 |
1 |
355 |
38.7 |
1.9 |
0.250 |
0 |
0 |
0 |
0.000 |
51 |
59 |
|
[CD]A:730 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
24881 |
37.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.000 |
52 |
60 |
|
[CD]B:727 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
24666 |
37.7 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
61 |
|
D |
7 |
3 |
3781 |
f |
[CD]B:727 |
x-1,y,z |
1_455 |
1 |
1 |
112 |
32.2 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.026 |
54 |
62 |
|
[CL]B:738 |
1 |
1 |
125 |
f |
[CD]B:727 |
x,y,z |
1_555 |
1 |
1 |
112 |
30.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.049 |
55 |
63 |
|
[CL]B:738 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
24666 |
30.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.000 |
56 |
64 |
|
[CL]A:739 |
1 |
1 |
125 |
f |
[CL]A:737 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.044 |
57 |
65 |
|
[CL]A:739 |
1 |
1 |
125 |
f |
[NAG]A:651 |
x,y,z |
1_555 |
1 |
1 |
361 |
28.4 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.013 |
58 |
66 |
|
[NAG]A:600 |
4 |
1 |
359 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
24666 |
28.0 |
0.9 |
0.422 |
0 |
0 |
0 |
0.000 |
59 |
67 |
|
[CL]A:736 |
1 |
1 |
125 |
f |
[CD]A:721 |
x,y,z |
1_555 |
1 |
1 |
112 |
25.6 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.035 |
60 |
68 |
|
[PT]A:711 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
4001 |
24.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.040 |
69 |
|
[PT]B:706 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
3781 |
19.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
22.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.040 |
61 |
70 |
|
B |
4 |
2 |
24666 |
◊ |
[CD]B:725 |
x,y,z-1 |
1_554 |
1 |
1 |
112 |
21.7 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.000 |
62 |
71 |
|
[NAG]A:650 |
1 |
1 |
362 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
4001 |
20.4 |
1.0 |
0.802 |
0 |
0 |
0 |
0.000 |
63 |
72 |
|
[MAN]A:653 |
4 |
1 |
292 |
f |
[NAG]A:651 |
x,y,z |
1_555 |
2 |
1 |
361 |
18.0 |
0.9 |
0.214 |
0 |
0 |
0 |
0.000 |
64 |
73 |
|
[NAG]B:650 |
3 |
1 |
352 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
3781 |
16.5 |
0.5 |
0.428 |
0 |
0 |
0 |
0.000 |
65 |
74 |
|
A |
7 |
2 |
24881 |
◊ |
[BMA]A:652 |
x-1,y,z |
1_455 |
2 |
1 |
292 |
15.3 |
0.1 |
0.365 |
0 |
0 |
0 |
0.000 |
66 |
75 |
|
[CD]B:726 |
1 |
1 |
112 |
f |
[NAG]B:651 |
x,y,z |
1_555 |
1 |
1 |
360 |
14.0 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.006 |
67 |
76 |
|
[CD]A:722 |
1 |
1 |
112 |
f |
[CD]A:721 |
x,y,z |
1_555 |
1 |
1 |
112 |
13.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.016 |
68 |
77 |
|
[CL]A:737 |
1 |
1 |
125 |
f |
[NAG]A:651 |
x,y,z |
1_555 |
1 |
1 |
361 |
10.7 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.004 |
69 |
78 |
|
[CD]A:730 |
1 |
1 |
112 |
◊ |
[CD]A:721 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
79 |
|
[CL]A:736 |
1 |
1 |
125 |
◊ |
[CD]A:730 |
x,y,z |
1_555 |
1 |
1 |
112 |
10.6 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
71 |
80 |
|
[CL]A:736 |
1 |
1 |
125 |
f |
[CD]A:722 |
x,y,z |
1_555 |
1 |
1 |
112 |
9.1 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.012 |
72 |
81 |
|
[CL]A:739 |
1 |
1 |
125 |
f |
[NAG]A:650 |
x,y,z |
1_555 |
2 |
1 |
362 |
7.9 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.004 |
73 |
82 |
|
[CD]A:730 |
1 |
1 |
112 |
◊ |
[CD]A:722 |
x,y,z |
1_555 |
1 |
1 |
112 |
6.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
74 |
83 |
|
[CL]A:737 |
1 |
1 |
125 |
f |
[NAG]A:650 |
x,y,z |
1_555 |
1 |
1 |
362 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
75 |
84 |
|
A |
1 |
1 |
24881 |
◊ |
[CD]A:721 |
x,y,z-1 |
1_554 |
1 |
1 |
112 |
3.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
85 |
|
A |
1 |
1 |
24881 |
◊ |
[CD]A:722 |
x,y,z-1 |
1_554 |
1 |
1 |
112 |
2.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
76 |
86 |
|
[CD]B:726 |
1 |
1 |
112 |
f |
[NAG]B:650 |
x,y,z |
1_555 |
1 |
1 |
352 |
2.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|