## |
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 |
98 |
25 |
6783 |
◊ |
A |
x,y,z |
1_555 |
102 |
30 |
9688 |
997.3 |
-13.7 |
0.165 |
8 |
11 |
0 |
0.165 |
2 |
|
C |
94 |
24 |
6963 |
◊ |
B |
x,y,z |
1_555 |
96 |
29 |
9811 |
984.0 |
-15.8 |
0.092 |
6 |
10 |
0 |
0.165 |
Average: |
990.6 |
-14.7 |
0.129 |
7 |
11 |
0 |
0.165 |
2 |
3 |
|
C |
75 |
18 |
6963 |
◊ |
A |
x,y,z |
1_555 |
84 |
24 |
9688 |
805.3 |
-14.5 |
0.051 |
4 |
1 |
0 |
0.151 |
4 |
|
D |
74 |
19 |
6783 |
◊ |
B |
x,y,z |
1_555 |
82 |
26 |
9811 |
797.3 |
-14.5 |
0.040 |
4 |
0 |
0 |
0.151 |
Average: |
801.3 |
-14.5 |
0.045 |
4 |
1 |
0 |
0.151 |
3 |
5 |
|
B |
57 |
20 |
9811 |
◊ |
A |
x,y-1,z |
1_545 |
70 |
17 |
9688 |
546.7 |
-3.4 |
0.562 |
6 |
2 |
0 |
0.000 |
6 |
|
B |
71 |
18 |
9811 |
◊ |
A |
x-1,y-1,z |
1_445 |
57 |
20 |
9688 |
542.7 |
-3.2 |
0.566 |
6 |
2 |
0 |
0.000 |
Average: |
544.7 |
-3.3 |
0.564 |
6 |
2 |
0 |
0.000 |
4 |
7 |
|
B |
34 |
13 |
9811 |
◊ |
C |
x,y-1,z |
1_545 |
42 |
11 |
6963 |
341.6 |
-0.8 |
0.639 |
0 |
3 |
0 |
0.000 |
8 |
|
D |
39 |
10 |
6783 |
◊ |
A |
x-1,y-1,z |
1_445 |
34 |
12 |
9688 |
314.5 |
-0.6 |
0.643 |
2 |
5 |
0 |
0.000 |
Average: |
328.0 |
-0.7 |
0.641 |
1 |
4 |
0 |
0.000 |
5 |
9 |
|
D |
28 |
5 |
6783 |
◊ |
B |
x,y,z-1 |
1_554 |
34 |
11 |
9811 |
271.6 |
1.2 |
0.769 |
4 |
3 |
0 |
0.001 |
10 |
|
A |
16 |
5 |
9688 |
◊ |
C |
x-1,y,z-1 |
1_454 |
13 |
4 |
6963 |
138.4 |
2.5 |
0.882 |
1 |
2 |
0 |
0.001 |
Average: |
205.0 |
1.8 |
0.825 |
3 |
3 |
0 |
0.001 |
6 |
11 |
|
[PHU]B:2001 |
10 |
1 |
292 |
◊ |
B |
x,y,z |
1_555 |
22 |
11 |
9811 |
156.9 |
3.3 |
0.231 |
3 |
0 |
0 |
0.000 |
12 |
|
[PHU]A:2001 |
10 |
1 |
290 |
◊ |
A |
x,y,z |
1_555 |
20 |
11 |
9688 |
152.8 |
3.3 |
0.212 |
2 |
0 |
0 |
0.000 |
Average: |
154.8 |
3.3 |
0.221 |
3 |
0 |
0 |
0.000 |
7 |
13 |
|
[GOL]B:149 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
9811 |
119.8 |
0.2 |
0.632 |
3 |
0 |
0 |
0.010 |
8 |
14 |
|
[GOL]A:150 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
9688 |
118.2 |
-0.3 |
0.575 |
2 |
0 |
0 |
0.011 |
9 |
15 |
|
[GOL]D:2 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
6783 |
109.8 |
-0.2 |
0.539 |
2 |
0 |
0 |
0.010 |
10 |
16 |
|
[PHU]D:1 |
9 |
1 |
296 |
◊ |
A |
x-1,y-1,z |
1_445 |
11 |
6 |
9688 |
104.9 |
2.8 |
0.068 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
10 |
5 |
9811 |
◊ |
[PHU]C:2 |
x,y-1,z |
1_545 |
9 |
1 |
295 |
102.4 |
2.5 |
0.052 |
0 |
0 |
0 |
0.000 |
Average: |
103.7 |
2.6 |
0.060 |
0 |
0 |
0 |
0.000 |
11 |
18 |
|
[SO4]C:5 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6963 |
95.0 |
-15.5 |
0.616 |
3 |
0 |
0 |
0.148 |
12 |
19 |
|
D |
12 |
4 |
6783 |
f |
[GOL]A:152 |
x-1,y-1,z |
1_445 |
6 |
1 |
217 |
93.0 |
0.1 |
0.571 |
2 |
0 |
0 |
0.007 |
13 |
20 |
|
[PHU]D:1 |
8 |
1 |
296 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
6783 |
91.4 |
2.2 |
0.066 |
0 |
0 |
0 |
0.000 |
21 |
|
[PHU]C:2 |
8 |
1 |
295 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
6963 |
90.0 |
1.9 |
0.052 |
0 |
0 |
0 |
0.000 |
Average: |
90.7 |
2.0 |
0.059 |
0 |
0 |
0 |
0.000 |
14 |
22 |
|
[SO4]A:154 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9688 |
86.0 |
-11.1 |
0.920 |
4 |
0 |
0 |
0.113 |
15 |
23 |
|
B |
7 |
3 |
9811 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
9688 |
85.4 |
-1.3 |
0.340 |
0 |
0 |
0 |
0.005 |
16 |
24 |
|
[PHU]B:2001 |
10 |
1 |
292 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
6783 |
82.3 |
1.1 |
0.012 |
0 |
0 |
0 |
0.000 |
25 |
|
[PHU]A:2001 |
10 |
1 |
290 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6963 |
82.2 |
1.1 |
0.009 |
0 |
0 |
0 |
0.000 |
Average: |
82.2 |
1.1 |
0.011 |
0 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
13 |
5 |
9811 |
f |
[GOL]A:151 |
x-1,y-1,z |
1_445 |
5 |
1 |
220 |
78.9 |
-0.9 |
0.406 |
0 |
0 |
0 |
0.009 |
18 |
27 |
|
[SO4]D:3 |
5 |
1 |
185 |
f |
B |
x,y,z-1 |
1_554 |
9 |
4 |
9811 |
77.9 |
-10.1 |
0.870 |
2 |
0 |
0 |
0.102 |
19 |
28 |
|
[GOL]A:149 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9688 |
76.7 |
-1.2 |
0.401 |
0 |
0 |
0 |
0.010 |
20 |
29 |
|
[SO4]B:152 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
6963 |
75.0 |
-8.8 |
0.864 |
1 |
0 |
0 |
0.081 |
21 |
30 |
|
[SO4]A:153 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
9688 |
70.2 |
-9.5 |
0.881 |
3 |
0 |
0 |
0.095 |
22 |
31 |
|
[SO4]A:154 |
5 |
1 |
186 |
◊ |
C |
x-1,y,z-1 |
1_454 |
6 |
2 |
6963 |
68.9 |
-7.6 |
0.926 |
1 |
0 |
0 |
0.000 |
23 |
32 |
|
[SO4]D:8 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
6783 |
67.2 |
-8.6 |
0.865 |
4 |
0 |
0 |
0.096 |
24 |
33 |
|
[SO4]B:150 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
9811 |
65.9 |
-8.7 |
0.875 |
3 |
0 |
0 |
0.093 |
25 |
34 |
|
[SO4]B:152 |
5 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
9811 |
62.7 |
-8.0 |
0.875 |
2 |
0 |
0 |
0.065 |
26 |
35 |
|
[SO4]D:8 |
5 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
9688 |
62.0 |
-7.7 |
0.857 |
3 |
0 |
0 |
0.079 |
27 |
36 |
|
[SO4]B:151 |
4 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9811 |
59.6 |
-7.5 |
0.886 |
2 |
0 |
0 |
0.078 |
28 |
37 |
|
[GOL]A:151 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
9688 |
57.7 |
0.0 |
0.600 |
1 |
0 |
0 |
0.000 |
29 |
38 |
|
[SO4]D:3 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
6783 |
56.9 |
-7.8 |
0.721 |
1 |
0 |
0 |
0.008 |
30 |
39 |
|
B |
10 |
4 |
9811 |
◊ |
[GOL]A:149 |
x,y-1,z |
1_545 |
5 |
1 |
217 |
56.6 |
-0.1 |
0.629 |
0 |
0 |
0 |
0.000 |
31 |
40 |
|
[GOL]A:152 |
5 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
9688 |
51.9 |
0.6 |
0.768 |
2 |
0 |
0 |
0.000 |
32 |
41 |
|
B |
7 |
5 |
9811 |
◊ |
[GOL]A:152 |
x-1,y-1,z |
1_445 |
5 |
1 |
217 |
46.4 |
-0.1 |
0.595 |
1 |
0 |
0 |
0.005 |
33 |
42 |
|
[CA]A:1002 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
9688 |
44.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.119 |
43 |
|
[CA]B:1002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9811 |
44.1 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
44.1 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.119 |
34 |
44 |
|
[CA]A:1004 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9688 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.118 |
45 |
|
[CA]B:1004 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9811 |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.118 |
Average: |
43.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.118 |
35 |
46 |
|
[CA]B:1003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9811 |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.116 |
47 |
|
[CA]A:1003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
9688 |
43.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.116 |
Average: |
43.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.116 |
36 |
48 |
|
[CA]A:1001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
9688 |
42.3 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.115 |
49 |
|
[CA]B:1001 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
9811 |
41.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.115 |
Average: |
42.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.115 |
37 |
50 |
|
[PHU]D:1 |
9 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
2 |
1 |
9811 |
38.1 |
0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[PHU]C:2 |
9 |
1 |
295 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
9688 |
36.2 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
37.2 |
0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
38 |
52 |
|
[GOL]A:150 |
4 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
6963 |
36.0 |
-0.8 |
0.233 |
0 |
0 |
0 |
0.007 |
39 |
53 |
|
[GOL]B:149 |
5 |
1 |
217 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
6783 |
30.3 |
-0.9 |
0.257 |
0 |
0 |
0 |
0.008 |
40 |
54 |
|
D |
1 |
1 |
6783 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
6963 |
17.7 |
0.4 |
0.823 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[GOL]A:150 |
1 |
1 |
216 |
f |
[PHU]C:2 |
x,y,z |
1_555 |
2 |
1 |
295 |
15.9 |
0.3 |
0.071 |
0 |
0 |
0 |
0.000 |
42 |
56 |
|
[GOL]B:149 |
2 |
1 |
217 |
f |
[PHU]D:1 |
x,y,z |
1_555 |
2 |
1 |
296 |
8.0 |
0.1 |
0.076 |
0 |
0 |
0 |
0.000 |
43 |
57 |
|
[SO4]D:3 |
1 |
1 |
185 |
f |
[SO4]B:151 |
x,y,z-1 |
1_554 |
2 |
1 |
186 |
7.4 |
-1.8 |
0.876 |
0 |
0 |
0 |
0.016 |
44 |
58 |
|
[CA]B:1001 |
1 |
1 |
85 |
◊ |
A |
x,y-1,z |
1_545 |
1 |
1 |
9688 |
2.4 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
59 |
|
B |
1 |
1 |
9811 |
◊ |
[CA]A:1001 |
x-1,y-1,z |
1_445 |
1 |
1 |
85 |
1.9 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[SO4]B:150 |
1 |
1 |
186 |
◊ |
A |
x-1,y-1,z |
1_445 |
1 |
1 |
9688 |
1.5 |
-0.2 |
0.853 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
B |
1 |
1 |
9811 |
◊ |
[SO4]A:153 |
x,y-1,z |
1_545 |
1 |
1 |
186 |
0.9 |
-0.1 |
0.849 |
0 |
0 |
0 |
0.000 |
|