## |
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 |
|
F |
109 |
31 |
7772 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
88 |
23 |
7927 |
906.8 |
-4.5 |
0.462 |
10 |
2 |
0 |
0.000 |
2 |
|
D |
88 |
29 |
7729 |
◊ |
B |
x,y,z |
1_555 |
82 |
22 |
8108 |
792.3 |
-7.7 |
0.279 |
7 |
2 |
0 |
0.000 |
3 |
|
C |
83 |
20 |
7968 |
◊ |
E |
x-y,x,z+1/6 |
6_555 |
87 |
29 |
7626 |
788.1 |
-6.7 |
0.346 |
9 |
2 |
0 |
0.000 |
4 |
|
E |
82 |
22 |
7626 |
◊ |
B |
x,y,z |
1_555 |
92 |
26 |
8108 |
761.3 |
-6.8 |
0.366 |
7 |
1 |
0 |
0.000 |
5 |
|
D |
81 |
23 |
7729 |
◊ |
A |
x,y,z |
1_555 |
90 |
25 |
7927 |
737.3 |
-6.1 |
0.310 |
5 |
2 |
0 |
0.000 |
6 |
|
F |
74 |
20 |
7772 |
◊ |
C |
x,y,z |
1_555 |
85 |
28 |
7968 |
713.0 |
-6.5 |
0.323 |
5 |
0 |
0 |
0.000 |
Average: |
783.1 |
-6.4 |
0.348 |
7 |
2 |
0 |
0.000 |
2 |
7 |
|
I |
49 |
8 |
1217 |
◊ |
C |
x,y,z |
1_555 |
59 |
18 |
7968 |
487.7 |
-5.9 |
0.545 |
7 |
2 |
0 |
0.900 |
8 |
|
G |
47 |
8 |
1216 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
7927 |
482.9 |
-5.1 |
0.568 |
9 |
3 |
0 |
0.900 |
9 |
|
J |
43 |
8 |
1227 |
◊ |
D |
x,y,z |
1_555 |
69 |
19 |
7729 |
480.9 |
-6.2 |
0.478 |
6 |
2 |
0 |
0.900 |
10 |
|
K |
44 |
7 |
1140 |
◊ |
E |
x,y,z |
1_555 |
59 |
16 |
7626 |
448.9 |
-5.6 |
0.489 |
7 |
2 |
0 |
0.900 |
11 |
|
H |
40 |
7 |
1057 |
◊ |
B |
x,y,z |
1_555 |
56 |
16 |
8108 |
446.2 |
-5.0 |
0.513 |
5 |
2 |
0 |
0.900 |
Average: |
469.3 |
-5.6 |
0.519 |
7 |
2 |
0 |
0.900 |
3 |
12 |
|
F |
51 |
17 |
7772 |
◊ |
F |
x,x-y-1,-z+1/6 |
12_545 |
53 |
17 |
7772 |
419.8 |
1.3 |
0.782 |
6 |
2 |
0 |
0.000 |
4 |
13 |
|
A |
34 |
10 |
7927 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
35 |
10 |
7927 |
317.2 |
-7.1 |
0.058 |
1 |
0 |
0 |
0.132 |
5 |
14 |
|
C |
33 |
7 |
7968 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
31 |
8 |
7927 |
292.5 |
0.4 |
0.628 |
5 |
0 |
0 |
0.000 |
6 |
15 |
|
B |
29 |
6 |
8108 |
◊ |
B |
y,x,-z+1/3 |
7_555 |
29 |
6 |
8108 |
264.0 |
-0.8 |
0.596 |
4 |
0 |
0 |
0.000 |
7 |
16 |
|
F |
29 |
9 |
7772 |
◊ |
C |
y,x-1,-z+1/3 |
7_545 |
23 |
9 |
7968 |
242.2 |
-1.1 |
0.528 |
0 |
0 |
0 |
0.000 |
17 |
|
B |
18 |
7 |
8108 |
◊ |
D |
x-y,x,z+1/6 |
6_555 |
22 |
8 |
7729 |
190.4 |
-1.1 |
0.501 |
1 |
0 |
0 |
0.000 |
Average: |
216.3 |
-1.1 |
0.515 |
1 |
0 |
0 |
0.000 |
8 |
18 |
|
F |
20 |
9 |
7772 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
7927 |
192.1 |
-0.4 |
0.546 |
1 |
0 |
0 |
0.000 |
9 |
19 |
|
B |
19 |
6 |
8108 |
◊ |
B |
x,x-y,-z+1/6 |
12_555 |
19 |
6 |
8108 |
171.2 |
-1.5 |
0.463 |
0 |
0 |
0 |
0.000 |
20 |
|
C |
5 |
2 |
7968 |
◊ |
C |
-x+y+1,y,-z+1/2 |
11_655 |
5 |
2 |
7968 |
57.4 |
-1.5 |
0.189 |
0 |
0 |
0 |
0.000 |
Average: |
114.3 |
-1.5 |
0.326 |
0 |
0 |
0 |
0.000 |
10 |
21 |
|
E |
19 |
8 |
7626 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
19 |
7 |
8108 |
149.0 |
-0.9 |
0.529 |
1 |
0 |
0 |
0.000 |
11 |
22 |
|
[1PE]F:502 |
9 |
1 |
461 |
◊ |
F |
x,x-y-1,-z+1/6 |
12_545 |
19 |
6 |
7772 |
148.6 |
1.0 |
0.715 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[1PE]F:502 |
10 |
1 |
461 |
f |
F |
x,y,z |
1_555 |
19 |
6 |
7772 |
146.8 |
-1.9 |
0.410 |
0 |
0 |
0 |
0.009 |
13 |
24 |
|
E |
21 |
7 |
7626 |
◊ |
A |
x-y-1,x-1,z+1/6 |
6_445 |
12 |
6 |
7927 |
146.0 |
-0.3 |
0.586 |
2 |
0 |
0 |
0.000 |
14 |
25 |
|
G |
13 |
3 |
1216 |
◊ |
G |
x,x-y-1,-z+1/6 |
12_545 |
13 |
3 |
1216 |
142.3 |
-3.6 |
0.377 |
0 |
0 |
0 |
0.064 |
15 |
26 |
|
K |
14 |
5 |
1140 |
◊ |
E |
-x+y,y,-z+1/2 |
11_555 |
13 |
4 |
7626 |
137.0 |
-1.3 |
0.567 |
1 |
1 |
0 |
0.000 |
16 |
27 |
|
C |
14 |
5 |
7968 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
14 |
5 |
7927 |
132.3 |
-1.1 |
0.457 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
C |
20 |
7 |
7968 |
◊ |
D |
-y,x-y-1,z+1/3 |
2_545 |
15 |
4 |
7729 |
127.9 |
-1.5 |
0.379 |
4 |
0 |
0 |
0.000 |
18 |
29 |
|
[GOL]A:504 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
16 |
7 |
7772 |
110.0 |
-0.3 |
0.590 |
4 |
0 |
0 |
0.010 |
19 |
30 |
|
J |
9 |
2 |
1227 |
◊ |
D |
-y,-x,-z-1/6 |
10_554 |
10 |
5 |
7729 |
108.7 |
-0.1 |
0.684 |
1 |
1 |
0 |
0.000 |
20 |
31 |
|
[GOL]A:502 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
7927 |
103.4 |
0.7 |
0.666 |
6 |
0 |
0 |
0.092 |
21 |
32 |
|
[GOL]A:501 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
7729 |
101.0 |
-1.0 |
0.423 |
0 |
0 |
0 |
0.100 |
22 |
33 |
|
G |
10 |
3 |
1216 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
14 |
4 |
7927 |
93.7 |
-1.2 |
0.513 |
0 |
0 |
0 |
0.042 |
23 |
34 |
|
[GOL]B:602 |
6 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
14 |
4 |
8108 |
89.5 |
0.8 |
0.697 |
4 |
0 |
0 |
0.114 |
24 |
35 |
|
[GOL]C:601 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
7968 |
89.2 |
-0.2 |
0.526 |
3 |
0 |
0 |
0.074 |
25 |
36 |
|
[SO4]F:503 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
7 |
4 |
7772 |
86.8 |
-8.0 |
0.975 |
3 |
0 |
0 |
0.046 |
26 |
37 |
|
[SO4]E:502 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
13 |
5 |
7626 |
81.1 |
-11.7 |
0.832 |
4 |
0 |
0 |
0.473 |
27 |
38 |
|
[GOL]A:501 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
11 |
5 |
7927 |
80.3 |
0.1 |
0.582 |
2 |
0 |
0 |
0.000 |
28 |
39 |
|
D |
12 |
4 |
7729 |
◊ |
C |
x,x-y-1,-z+1/6 |
12_545 |
13 |
4 |
7968 |
79.7 |
1.3 |
0.779 |
0 |
0 |
0 |
0.000 |
29 |
40 |
|
F |
11 |
4 |
7772 |
◊ |
A |
x,x-y-1,-z+1/6 |
12_545 |
12 |
3 |
7927 |
77.3 |
-0.7 |
0.472 |
0 |
0 |
0 |
0.000 |
30 |
41 |
|
K |
9 |
4 |
1140 |
◊ |
K |
-x+y,y,-z+1/2 |
11_555 |
9 |
4 |
1140 |
76.6 |
-1.3 |
0.559 |
0 |
0 |
0 |
0.000 |
31 |
42 |
|
C |
6 |
3 |
7968 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
8 |
2 |
8108 |
72.4 |
0.5 |
0.721 |
2 |
0 |
0 |
0.000 |
43 |
|
B |
5 |
2 |
8108 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
7927 |
45.4 |
0.7 |
0.778 |
1 |
0 |
0 |
0.000 |
44 |
|
C |
4 |
2 |
7968 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
6 |
2 |
7927 |
31.6 |
0.4 |
0.719 |
1 |
0 |
0 |
0.000 |
Average: |
49.8 |
0.6 |
0.739 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[GOL]A:504 |
5 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
7927 |
70.9 |
-0.1 |
0.602 |
2 |
0 |
0 |
0.000 |
33 |
46 |
|
[SO4]C:604 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
7968 |
70.5 |
-9.1 |
0.882 |
3 |
0 |
0 |
0.490 |
34 |
47 |
|
E |
4 |
2 |
7626 |
◊ |
B |
y,x,-z+1/3 |
7_555 |
10 |
2 |
8108 |
69.3 |
0.5 |
0.737 |
1 |
0 |
0 |
0.000 |
35 |
48 |
|
[SO4]A:505 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
7927 |
66.7 |
-9.5 |
0.635 |
1 |
0 |
0 |
0.463 |
36 |
49 |
|
[PEG]C:603 |
6 |
1 |
260 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
7968 |
65.4 |
3.2 |
0.380 |
1 |
0 |
0 |
0.000 |
37 |
50 |
|
[PEG]C:603 |
3 |
1 |
260 |
f |
F |
x,y,z |
1_555 |
10 |
3 |
7772 |
59.8 |
0.4 |
0.326 |
1 |
0 |
0 |
0.000 |
38 |
51 |
|
[SO4]E:503 |
4 |
1 |
183 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
7626 |
55.6 |
-5.6 |
0.945 |
1 |
0 |
0 |
0.212 |
39 |
52 |
|
F |
11 |
4 |
7772 |
f |
[CL]A:506 |
y,x-1,-z+1/3 |
7_545 |
1 |
1 |
125 |
53.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.034 |
40 |
53 |
|
C |
6 |
3 |
7968 |
◊ |
[SO4]E:503 |
x-y,x,z+1/6 |
6_555 |
5 |
1 |
183 |
51.4 |
-5.3 |
0.892 |
1 |
0 |
0 |
0.000 |
41 |
54 |
|
D |
5 |
1 |
7729 |
◊ |
B |
x-y,-y,-z |
8_555 |
6 |
2 |
8108 |
51.0 |
-0.2 |
0.556 |
0 |
0 |
0 |
0.000 |
42 |
55 |
|
I |
5 |
2 |
1217 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
7927 |
50.7 |
0.9 |
0.810 |
1 |
0 |
0 |
0.000 |
56 |
|
H |
2 |
1 |
1057 |
◊ |
B |
x-y,x,z+1/6 |
6_555 |
1 |
1 |
8108 |
3.3 |
0.2 |
0.738 |
0 |
0 |
0 |
0.000 |
Average: |
27.0 |
0.5 |
0.774 |
1 |
0 |
0 |
0.000 |
43 |
57 |
|
E |
5 |
1 |
7626 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
5 |
3 |
7927 |
50.3 |
0.3 |
0.583 |
1 |
0 |
0 |
0.000 |
58 |
|
C |
5 |
3 |
7968 |
◊ |
F |
x-y,x,z+1/6 |
6_555 |
4 |
1 |
7772 |
49.8 |
0.1 |
0.609 |
1 |
0 |
0 |
0.000 |
Average: |
50.0 |
0.2 |
0.596 |
1 |
0 |
0 |
0.000 |
44 |
59 |
|
J |
7 |
3 |
1227 |
◊ |
J |
-y,-x,-z-1/6 |
10_554 |
7 |
3 |
1227 |
49.7 |
-1.2 |
0.557 |
0 |
0 |
0 |
0.000 |
45 |
60 |
|
[CL]A:506 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
7927 |
46.6 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
61 |
|
B |
8 |
5 |
8108 |
◊ |
B |
x-y,-y,-z |
8_555 |
8 |
5 |
8108 |
46.5 |
0.3 |
0.690 |
2 |
0 |
0 |
0.000 |
47 |
62 |
|
I |
2 |
1 |
1217 |
◊ |
I |
-x+y+1,y,-z+1/2 |
11_655 |
2 |
1 |
1217 |
45.6 |
-1.5 |
0.164 |
0 |
0 |
0 |
0.000 |
48 |
63 |
|
[GOL]A:502 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
7729 |
44.3 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
49 |
64 |
|
[SO4]F:503 |
4 |
1 |
184 |
◊ |
F |
x,x-y-1,-z+1/6 |
12_545 |
5 |
1 |
7772 |
42.3 |
-4.1 |
0.926 |
1 |
0 |
0 |
0.000 |
50 |
65 |
|
[GOL]C:601 |
3 |
1 |
217 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
7772 |
41.9 |
0.2 |
0.627 |
1 |
0 |
0 |
0.000 |
51 |
66 |
|
C |
6 |
3 |
7968 |
◊ |
[SO4]E:502 |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
185 |
36.9 |
-4.7 |
0.766 |
1 |
0 |
0 |
0.000 |
52 |
67 |
|
F |
6 |
2 |
7772 |
◊ |
E |
x-y,x,z+1/6 |
6_555 |
3 |
1 |
7626 |
36.9 |
0.4 |
0.716 |
1 |
0 |
0 |
0.000 |
53 |
68 |
|
[GOL]B:602 |
4 |
1 |
213 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
7626 |
33.8 |
-0.5 |
0.409 |
0 |
0 |
0 |
0.000 |
54 |
69 |
|
E |
6 |
4 |
7626 |
◊ |
E |
-x+y,y,-z+1/2 |
11_555 |
6 |
4 |
7626 |
32.4 |
0.5 |
0.744 |
0 |
0 |
0 |
0.000 |
55 |
70 |
|
[SO4]F:503 |
3 |
1 |
184 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
3 |
1 |
7927 |
29.1 |
-3.3 |
0.844 |
0 |
0 |
0 |
0.000 |
56 |
71 |
|
E |
2 |
2 |
7626 |
◊ |
G |
x-y-1,x-1,z+1/6 |
6_445 |
1 |
1 |
1216 |
20.2 |
-0.1 |
0.467 |
0 |
0 |
0 |
0.000 |
57 |
72 |
|
D |
4 |
3 |
7729 |
◊ |
D |
x-y,-y,-z |
8_555 |
4 |
3 |
7729 |
16.8 |
0.3 |
0.724 |
0 |
0 |
0 |
0.000 |
58 |
73 |
|
C |
2 |
2 |
7968 |
◊ |
[SO4]F:503 |
x-y,x,z+1/6 |
6_555 |
2 |
1 |
184 |
7.7 |
-0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
59 |
74 |
|
K |
1 |
1 |
1140 |
◊ |
A |
y,x-1,-z+1/3 |
7_545 |
3 |
1 |
7927 |
6.3 |
0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
60 |
75 |
|
[SO4]A:505 |
2 |
1 |
185 |
◊ |
G |
x,x-y-1,-z+1/6 |
12_545 |
1 |
1 |
1216 |
2.3 |
-0.2 |
0.840 |
0 |
0 |
0 |
0.006 |
61 |
76 |
|
[SO4]C:604 |
1 |
1 |
185 |
◊ |
[SO4]A:505 |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
185 |
1.9 |
-0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
62 |
77 |
|
J |
1 |
1 |
1227 |
◊ |
D |
x-y,-y,-z |
8_555 |
1 |
1 |
7729 |
1.2 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
63 |
78 |
|
[SO4]A:505 |
1 |
1 |
185 |
◊ |
C |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
7968 |
1.0 |
-0.1 |
0.812 |
0 |
0 |
0 |
0.000 |
64 |
79 |
|
F |
1 |
1 |
7772 |
◊ |
I |
y,x-1,-z+1/3 |
7_545 |
1 |
1 |
1217 |
0.9 |
-0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
65 |
80 |
|
[SO4]C:604 |
1 |
1 |
185 |
◊ |
A |
-x+y+1,y,-z+1/2 |
11_655 |
1 |
1 |
7927 |
0.4 |
-0.0 |
0.802 |
0 |
0 |
0 |
0.000 |
|