| ## |
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 |
|
E |
423 |
103 |
23985 |
◊ |
E |
-x-1,y,-z |
2_455 |
419 |
103 |
23985 |
4124.8 |
-30.0 |
0.346 |
59 |
28 |
0 |
0.415 |
2 |
|
B |
419 |
99 |
24237 |
◊ |
A |
x,y,z |
1_555 |
422 |
101 |
24143 |
4119.4 |
-29.1 |
0.236 |
62 |
28 |
0 |
0.415 |
3 |
|
D |
422 |
103 |
24240 |
◊ |
C |
x,y,z |
1_555 |
418 |
101 |
23839 |
4102.2 |
-31.3 |
0.254 |
60 |
28 |
0 |
0.415 |
| Average: |
4115.4 |
-30.1 |
0.279 |
60 |
28 |
0 |
0.415 |
| 2 |
4 |
|
[NDP]D:601 |
47 |
1 |
918 |
f |
D |
x,y,z |
1_555 |
77 |
32 |
24240 |
593.0 |
-4.9 |
0.418 |
22 |
0 |
0 |
0.189 |
5 |
|
[NDP]E:601 |
47 |
1 |
916 |
f |
E |
x,y,z |
1_555 |
73 |
32 |
23985 |
591.4 |
-4.6 |
0.436 |
21 |
0 |
0 |
0.189 |
6 |
|
[NDP]C:601 |
46 |
1 |
909 |
f |
C |
x,y,z |
1_555 |
77 |
32 |
23839 |
588.4 |
-4.1 |
0.454 |
21 |
0 |
0 |
0.189 |
7 |
|
[NDP]A:601 |
46 |
1 |
914 |
f |
A |
x,y,z |
1_555 |
76 |
31 |
24143 |
584.5 |
-4.2 |
0.429 |
21 |
0 |
0 |
0.189 |
8 |
|
[NDP]B:601 |
47 |
1 |
917 |
f |
B |
x,y,z |
1_555 |
74 |
31 |
24237 |
584.4 |
-4.5 |
0.403 |
21 |
0 |
0 |
0.189 |
| Average: |
588.3 |
-4.5 |
0.428 |
21 |
0 |
0 |
0.189 |
| 3 |
9 |
|
[MTX]C:604 |
33 |
1 |
699 |
f |
C |
x,y,z |
1_555 |
55 |
24 |
23839 |
455.6 |
-1.0 |
0.284 |
9 |
0 |
0 |
0.066 |
10 |
|
[MTX]E:604 |
33 |
1 |
695 |
f |
E |
x,y,z |
1_555 |
54 |
23 |
23985 |
454.0 |
-1.1 |
0.275 |
8 |
0 |
0 |
0.066 |
11 |
|
[MTX]B:604 |
33 |
1 |
698 |
f |
B |
x,y,z |
1_555 |
53 |
21 |
24237 |
452.9 |
-0.9 |
0.257 |
8 |
0 |
0 |
0.066 |
12 |
|
[MTX]D:604 |
33 |
1 |
700 |
f |
D |
x,y,z |
1_555 |
53 |
22 |
24240 |
452.7 |
-0.9 |
0.265 |
9 |
0 |
0 |
0.066 |
13 |
|
[MTX]A:604 |
33 |
1 |
694 |
f |
A |
x,y,z |
1_555 |
52 |
22 |
24143 |
449.7 |
-0.8 |
0.267 |
9 |
0 |
0 |
0.066 |
| Average: |
453.0 |
-0.9 |
0.270 |
9 |
0 |
0 |
0.066 |
| 4 |
14 |
|
[OF4]E:603 |
31 |
1 |
636 |
f |
E |
x,y,z |
1_555 |
63 |
24 |
23985 |
427.8 |
0.4 |
0.208 |
3 |
0 |
0 |
0.019 |
15 |
|
[OF4]A:603 |
30 |
1 |
641 |
f |
A |
x,y,z |
1_555 |
63 |
23 |
24143 |
425.3 |
1.4 |
0.238 |
4 |
0 |
0 |
0.019 |
16 |
|
[OF4]C:603 |
31 |
1 |
636 |
f |
C |
x,y,z |
1_555 |
64 |
24 |
23839 |
423.6 |
0.5 |
0.220 |
4 |
0 |
0 |
0.019 |
17 |
|
[OF4]D:603 |
30 |
1 |
638 |
f |
D |
x,y,z |
1_555 |
65 |
23 |
24240 |
423.5 |
0.5 |
0.226 |
5 |
0 |
0 |
0.019 |
18 |
|
[OF4]B:603 |
30 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
62 |
22 |
24237 |
420.1 |
0.6 |
0.200 |
5 |
0 |
0 |
0.019 |
| Average: |
424.1 |
0.7 |
0.218 |
4 |
0 |
0 |
0.019 |
| 5 |
19 |
|
D |
42 |
11 |
24240 |
x |
A |
x-1/2,y-1/2,z |
3_445 |
44 |
14 |
24143 |
362.9 |
0.3 |
0.690 |
2 |
2 |
0 |
0.000 |
20 |
|
B |
44 |
14 |
24237 |
x |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
40 |
10 |
24237 |
351.0 |
-0.0 |
0.658 |
2 |
1 |
0 |
0.000 |
| Average: |
356.9 |
0.1 |
0.674 |
2 |
2 |
0 |
0.000 |
| 6 |
21 |
|
[UFP]E:602 |
21 |
1 |
460 |
f |
E |
x,y,z |
1_555 |
39 |
18 |
23985 |
247.4 |
-1.3 |
0.607 |
9 |
0 |
0 |
0.087 |
22 |
|
[UFP]A:602 |
21 |
1 |
465 |
f |
A |
x,y,z |
1_555 |
37 |
17 |
24143 |
244.8 |
-1.4 |
0.573 |
11 |
0 |
0 |
0.087 |
23 |
|
[UFP]C:602 |
20 |
1 |
459 |
f |
C |
x,y,z |
1_555 |
39 |
20 |
23839 |
243.1 |
-1.1 |
0.583 |
10 |
0 |
0 |
0.087 |
24 |
|
[UFP]B:602 |
21 |
1 |
459 |
f |
B |
x,y,z |
1_555 |
40 |
18 |
24237 |
241.9 |
-1.4 |
0.563 |
12 |
0 |
0 |
0.087 |
| Average: |
244.3 |
-1.3 |
0.581 |
11 |
0 |
0 |
0.087 |
| 7 |
25 |
|
[UFP]D:602 |
21 |
1 |
457 |
f |
D |
x,y,z |
1_555 |
38 |
18 |
24240 |
241.6 |
-1.1 |
0.607 |
11 |
0 |
0 |
0.040 |
| 8 |
26 |
|
E |
26 |
10 |
23985 |
◊ |
D |
-x-1,y,-z |
2_455 |
21 |
4 |
24240 |
217.0 |
0.8 |
0.756 |
3 |
1 |
0 |
0.000 |
27 |
|
E |
22 |
5 |
23985 |
◊ |
C |
x,y,z |
1_555 |
31 |
11 |
23839 |
215.3 |
0.8 |
0.765 |
3 |
1 |
0 |
0.000 |
28 |
|
B |
29 |
11 |
24237 |
◊ |
A |
-x,y,-z+1 |
2_556 |
23 |
5 |
24143 |
215.0 |
0.8 |
0.734 |
3 |
1 |
0 |
0.000 |
29 |
|
C |
22 |
4 |
23839 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
24143 |
213.6 |
0.8 |
0.736 |
4 |
1 |
0 |
0.000 |
30 |
|
D |
29 |
11 |
24240 |
◊ |
B |
x,y,z |
1_555 |
23 |
5 |
24237 |
212.1 |
0.8 |
0.739 |
3 |
1 |
0 |
0.000 |
| Average: |
214.6 |
0.8 |
0.746 |
3 |
1 |
0 |
0.000 |
| 9 |
31 |
|
A |
12 |
6 |
24143 |
◊ |
A |
-x,y,-z+1 |
2_556 |
12 |
6 |
24143 |
97.1 |
2.2 |
0.894 |
4 |
0 |
0 |
0.000 |
32 |
|
E |
11 |
5 |
23985 |
◊ |
D |
x,y,z |
1_555 |
14 |
7 |
24240 |
96.1 |
2.0 |
0.892 |
2 |
0 |
0 |
0.000 |
33 |
|
C |
11 |
5 |
23839 |
◊ |
B |
x,y,z |
1_555 |
10 |
5 |
24237 |
94.8 |
2.1 |
0.902 |
4 |
0 |
0 |
0.000 |
| Average: |
96.0 |
2.1 |
0.896 |
3 |
0 |
0 |
0.000 |
| 10 |
34 |
|
[SO4]C:605 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
16 |
6 |
23839 |
93.0 |
-12.1 |
0.893 |
4 |
0 |
0 |
0.093 |
| 11 |
35 |
|
[UFP]A:602 |
8 |
1 |
465 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
24237 |
91.8 |
-2.2 |
0.310 |
4 |
0 |
0 |
0.027 |
| 12 |
36 |
|
[SO4]B:605 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
24237 |
89.4 |
-12.1 |
0.868 |
2 |
0 |
0 |
0.087 |
| 13 |
37 |
|
[SO4]D:605 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
24240 |
89.4 |
-11.6 |
0.870 |
3 |
0 |
0 |
0.086 |
| 14 |
38 |
|
[SO4]E:605 |
5 |
1 |
185 |
f |
E |
-x-1,y,-z |
2_455 |
15 |
5 |
23985 |
89.2 |
-11.5 |
0.890 |
3 |
0 |
0 |
0.174 |
| 15 |
39 |
|
[UFP]B:602 |
8 |
1 |
459 |
◊ |
A |
x,y,z |
1_555 |
12 |
2 |
24143 |
88.6 |
-2.4 |
0.285 |
2 |
0 |
0 |
0.050 |
40 |
|
[UFP]C:602 |
8 |
1 |
459 |
◊ |
D |
x,y,z |
1_555 |
12 |
2 |
24240 |
88.4 |
-2.6 |
0.251 |
2 |
0 |
0 |
0.050 |
41 |
|
[UFP]E:602 |
8 |
1 |
460 |
◊ |
E |
-x-1,y,-z |
2_455 |
13 |
2 |
23985 |
88.3 |
-2.3 |
0.299 |
3 |
0 |
0 |
0.050 |
42 |
|
[UFP]D:602 |
8 |
1 |
457 |
◊ |
C |
x,y,z |
1_555 |
12 |
2 |
23839 |
87.1 |
-2.5 |
0.292 |
2 |
0 |
0 |
0.050 |
| Average: |
88.1 |
-2.5 |
0.282 |
2 |
0 |
0 |
0.050 |
| 16 |
43 |
|
[SO4]A:605 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
24143 |
87.1 |
-11.2 |
0.877 |
2 |
0 |
0 |
0.082 |
| 17 |
44 |
|
[OF4]E:603 |
13 |
1 |
636 |
f |
[UFP]E:602 |
x,y,z |
1_555 |
13 |
1 |
460 |
81.6 |
3.4 |
0.570 |
1 |
0 |
0 |
0.000 |
45 |
|
[OF4]A:603 |
12 |
1 |
641 |
f |
[UFP]A:602 |
x,y,z |
1_555 |
13 |
1 |
465 |
81.4 |
3.3 |
0.582 |
1 |
0 |
0 |
0.000 |
46 |
|
[OF4]C:603 |
12 |
1 |
636 |
f |
[UFP]C:602 |
x,y,z |
1_555 |
13 |
1 |
459 |
80.8 |
3.5 |
0.578 |
0 |
0 |
0 |
0.000 |
| Average: |
81.3 |
3.4 |
0.577 |
1 |
0 |
0 |
0.000 |
| 18 |
47 |
|
[OF4]D:603 |
13 |
1 |
638 |
f |
[UFP]D:602 |
x,y,z |
1_555 |
13 |
1 |
457 |
81.5 |
3.5 |
0.581 |
0 |
0 |
0 |
0.000 |
48 |
|
[OF4]B:603 |
13 |
1 |
639 |
f |
[UFP]B:602 |
x,y,z |
1_555 |
13 |
1 |
459 |
80.5 |
3.4 |
0.550 |
1 |
0 |
0 |
0.000 |
| Average: |
81.0 |
3.5 |
0.566 |
1 |
0 |
0 |
0.000 |
| 19 |
49 |
|
[MTX]D:604 |
13 |
1 |
700 |
f |
[NDP]D:601 |
x,y,z |
1_555 |
10 |
1 |
918 |
80.8 |
0.3 |
0.443 |
0 |
0 |
0 |
0.000 |
50 |
|
[MTX]C:604 |
13 |
1 |
699 |
f |
[NDP]C:601 |
x,y,z |
1_555 |
10 |
1 |
909 |
79.0 |
0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
51 |
|
[MTX]E:604 |
13 |
1 |
695 |
f |
[NDP]E:601 |
x,y,z |
1_555 |
10 |
1 |
916 |
78.4 |
0.4 |
0.442 |
0 |
0 |
0 |
0.000 |
52 |
|
[MTX]B:604 |
13 |
1 |
698 |
f |
[NDP]B:601 |
x,y,z |
1_555 |
10 |
1 |
917 |
77.7 |
0.4 |
0.441 |
0 |
0 |
0 |
0.000 |
53 |
|
[MTX]A:604 |
13 |
1 |
694 |
f |
[NDP]A:601 |
x,y,z |
1_555 |
10 |
1 |
914 |
75.4 |
0.4 |
0.444 |
0 |
0 |
0 |
0.000 |
| Average: |
78.3 |
0.4 |
0.443 |
0 |
0 |
0 |
0.000 |
| 20 |
54 |
|
[NDP]B:601 |
6 |
1 |
917 |
◊ |
B |
-x-1/2,y-1/2,-z+1 |
4_446 |
5 |
1 |
24237 |
44.1 |
0.1 |
0.554 |
1 |
0 |
0 |
0.000 |
55 |
|
D |
5 |
1 |
24240 |
◊ |
[NDP]A:601 |
x-1/2,y-1/2,z |
3_445 |
6 |
1 |
914 |
39.8 |
0.2 |
0.602 |
1 |
0 |
0 |
0.000 |
| Average: |
41.9 |
0.1 |
0.578 |
1 |
0 |
0 |
0.000 |
| 21 |
56 |
|
[SO4]E:605 |
4 |
1 |
185 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
23985 |
40.1 |
-5.2 |
0.785 |
1 |
0 |
0 |
0.076 |
| 22 |
57 |
|
[SO4]B:605 |
4 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
24143 |
38.9 |
-4.7 |
0.789 |
1 |
0 |
0 |
0.035 |
| 23 |
58 |
|
[SO4]D:605 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
23839 |
37.2 |
-4.5 |
0.758 |
0 |
0 |
0 |
0.030 |
| 24 |
59 |
|
[SO4]A:605 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
24237 |
36.7 |
-4.6 |
0.771 |
1 |
0 |
0 |
0.034 |
| 25 |
60 |
|
[SO4]C:605 |
3 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
24240 |
31.7 |
-4.5 |
0.791 |
1 |
0 |
0 |
0.033 |
| 26 |
61 |
|
[OF4]D:603 |
1 |
1 |
638 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
23839 |
2.1 |
0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
62 |
|
[OF4]A:603 |
1 |
1 |
641 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
24237 |
1.4 |
0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
63 |
|
[OF4]B:603 |
1 |
1 |
639 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
24143 |
1.3 |
0.0 |
0.589 |
0 |
0 |
0 |
0.000 |
64 |
|
[OF4]E:603 |
1 |
1 |
636 |
◊ |
E |
-x-1,y,-z |
2_455 |
1 |
1 |
23985 |
0.7 |
0.0 |
0.576 |
0 |
0 |
0 |
0.000 |
65 |
|
[OF4]C:603 |
1 |
1 |
636 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
24240 |
0.1 |
0.0 |
0.550 |
0 |
0 |
0 |
0.000 |
| Average: |
1.1 |
0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
|