## |
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 |
|
H |
145 |
43 |
20643 |
◊ |
E |
x,y,z |
1_555 |
146 |
43 |
20452 |
1485.8 |
-16.2 |
0.064 |
13 |
9 |
0 |
0.435 |
2 |
|
K |
144 |
43 |
20565 |
◊ |
C |
x,y,z |
1_555 |
143 |
44 |
20410 |
1477.6 |
-14.7 |
0.103 |
14 |
9 |
0 |
0.435 |
3 |
|
G |
146 |
45 |
20383 |
◊ |
A |
x,y,z |
1_555 |
142 |
43 |
20144 |
1461.6 |
-14.9 |
0.094 |
14 |
9 |
0 |
0.435 |
4 |
|
L |
144 |
43 |
20438 |
◊ |
I |
x,y,z |
1_555 |
141 |
43 |
20501 |
1461.2 |
-17.1 |
0.049 |
11 |
9 |
0 |
0.435 |
5 |
|
F |
144 |
43 |
20345 |
◊ |
B |
x,y,z |
1_555 |
143 |
44 |
20347 |
1454.6 |
-14.3 |
0.120 |
15 |
9 |
0 |
0.435 |
6 |
|
J |
132 |
37 |
17345 |
◊ |
D |
x,y,z |
1_555 |
134 |
40 |
20445 |
1360.0 |
-15.4 |
0.088 |
11 |
3 |
0 |
0.435 |
Average: |
1450.1 |
-15.4 |
0.086 |
13 |
8 |
0 |
0.435 |
2 |
7 |
|
J |
128 |
34 |
17345 |
◊ |
F |
x,y,z |
1_555 |
132 |
34 |
20345 |
1204.5 |
-19.3 |
0.028 |
11 |
1 |
0 |
0.436 |
8 |
|
L |
126 |
33 |
20438 |
◊ |
K |
x,y,z |
1_555 |
131 |
33 |
20565 |
1203.8 |
-18.6 |
0.024 |
12 |
2 |
0 |
0.436 |
9 |
|
I |
129 |
34 |
20501 |
◊ |
C |
x,y,z |
1_555 |
125 |
33 |
20410 |
1195.3 |
-18.9 |
0.016 |
12 |
1 |
0 |
0.436 |
10 |
|
H |
128 |
34 |
20643 |
◊ |
G |
x,y,z |
1_555 |
131 |
33 |
20383 |
1193.0 |
-18.8 |
0.019 |
11 |
1 |
0 |
0.436 |
11 |
|
D |
128 |
35 |
20445 |
◊ |
B |
x,y,z |
1_555 |
127 |
33 |
20347 |
1190.8 |
-19.2 |
0.017 |
11 |
1 |
0 |
0.436 |
12 |
|
E |
130 |
35 |
20452 |
◊ |
A |
x,y,z |
1_555 |
133 |
35 |
20144 |
1190.8 |
-17.3 |
0.035 |
13 |
2 |
0 |
0.436 |
Average: |
1196.4 |
-18.7 |
0.023 |
12 |
1 |
0 |
0.436 |
3 |
13 |
|
E |
43 |
14 |
20452 |
◊ |
B |
x,y,z |
1_555 |
51 |
14 |
20347 |
449.9 |
-0.2 |
0.627 |
5 |
5 |
0 |
0.000 |
14 |
|
C |
50 |
14 |
20410 |
◊ |
D |
x-1,y,z |
1_455 |
43 |
14 |
20445 |
443.8 |
-0.0 |
0.649 |
5 |
5 |
0 |
0.000 |
Average: |
446.9 |
-0.1 |
0.638 |
5 |
5 |
0 |
0.000 |
4 |
15 |
|
F |
32 |
9 |
20345 |
◊ |
D |
y,x,-z |
4_555 |
32 |
9 |
20445 |
275.2 |
-2.2 |
0.415 |
5 |
6 |
0 |
0.000 |
16 |
|
I |
32 |
9 |
20501 |
◊ |
G |
y-1,x,-z |
4_455 |
28 |
8 |
20383 |
264.8 |
-2.3 |
0.374 |
6 |
7 |
0 |
0.000 |
17 |
|
K |
28 |
8 |
20565 |
◊ |
E |
y-1,x,-z |
4_455 |
27 |
8 |
20452 |
262.7 |
-2.5 |
0.337 |
6 |
6 |
0 |
0.000 |
Average: |
267.6 |
-2.3 |
0.375 |
6 |
6 |
0 |
0.000 |
5 |
18 |
|
[G6P]E:501 |
16 |
1 |
377 |
f |
E |
x,y,z |
1_555 |
48 |
18 |
20452 |
266.9 |
-3.6 |
0.563 |
12 |
0 |
0 |
0.311 |
19 |
|
[G6P]K:501 |
16 |
1 |
380 |
f |
K |
x,y,z |
1_555 |
44 |
18 |
20565 |
266.7 |
-3.1 |
0.578 |
14 |
0 |
0 |
0.311 |
20 |
|
[G6P]B:501 |
16 |
1 |
379 |
f |
B |
x,y,z |
1_555 |
49 |
18 |
20347 |
266.3 |
-3.0 |
0.563 |
11 |
0 |
0 |
0.311 |
21 |
|
[G6P]D:501 |
16 |
1 |
381 |
f |
D |
x,y,z |
1_555 |
46 |
18 |
20445 |
265.0 |
-3.4 |
0.556 |
13 |
0 |
0 |
0.311 |
22 |
|
[G6P]G:501 |
16 |
1 |
377 |
f |
G |
x,y,z |
1_555 |
45 |
18 |
20383 |
263.8 |
-3.1 |
0.561 |
11 |
0 |
0 |
0.311 |
23 |
|
[G6P]F:501 |
16 |
1 |
379 |
f |
F |
x,y,z |
1_555 |
45 |
18 |
20345 |
258.0 |
-3.6 |
0.571 |
13 |
0 |
0 |
0.311 |
Average: |
264.5 |
-3.3 |
0.565 |
12 |
0 |
0 |
0.311 |
6 |
24 |
|
[G6P]J:501 |
16 |
1 |
372 |
f |
J |
x,y,z |
1_555 |
50 |
18 |
17345 |
266.9 |
-3.2 |
0.575 |
11 |
0 |
0 |
0.178 |
25 |
|
[G6P]A:501 |
16 |
1 |
382 |
f |
A |
x,y,z |
1_555 |
46 |
18 |
20144 |
265.8 |
-3.4 |
0.579 |
12 |
0 |
0 |
0.178 |
26 |
|
[G6P]L:501 |
16 |
1 |
378 |
f |
L |
x,y,z |
1_555 |
48 |
18 |
20438 |
265.2 |
-3.1 |
0.567 |
14 |
0 |
0 |
0.178 |
27 |
|
[G6P]C:501 |
16 |
1 |
381 |
f |
C |
x,y,z |
1_555 |
48 |
18 |
20410 |
265.1 |
-3.4 |
0.573 |
15 |
0 |
0 |
0.178 |
28 |
|
[G6P]H:501 |
16 |
1 |
378 |
f |
H |
x,y,z |
1_555 |
49 |
18 |
20643 |
264.3 |
-3.6 |
0.544 |
12 |
0 |
0 |
0.178 |
Average: |
265.5 |
-3.4 |
0.567 |
13 |
0 |
0 |
0.178 |
7 |
29 |
|
L |
30 |
9 |
20438 |
◊ |
H |
x-y,-y+1,-z-1/3 |
5_564 |
31 |
8 |
20643 |
265.9 |
-1.1 |
0.516 |
2 |
4 |
0 |
0.000 |
8 |
30 |
|
[G6P]I:501 |
16 |
1 |
383 |
f |
I |
x,y,z |
1_555 |
45 |
17 |
20501 |
265.5 |
-3.2 |
0.542 |
9 |
0 |
0 |
0.133 |
9 |
31 |
|
C |
25 |
7 |
20410 |
◊ |
A |
x-y,-y+1,-z-1/3 |
5_564 |
26 |
7 |
20144 |
251.7 |
-1.7 |
0.421 |
8 |
7 |
0 |
0.000 |
32 |
|
B |
25 |
7 |
20347 |
◊ |
B |
x-y,-y,-z-1/3 |
5_554 |
25 |
7 |
20347 |
247.5 |
-1.6 |
0.428 |
8 |
6 |
0 |
0.000 |
Average: |
249.6 |
-1.7 |
0.424 |
8 |
7 |
0 |
0.000 |
10 |
33 |
|
K |
21 |
6 |
20565 |
◊ |
F |
x,y,z |
1_555 |
22 |
8 |
20345 |
202.8 |
2.1 |
0.835 |
4 |
6 |
0 |
0.000 |
34 |
|
F |
21 |
6 |
20345 |
◊ |
G |
x-1,y-1,z |
1_445 |
27 |
7 |
20383 |
185.9 |
0.1 |
0.587 |
1 |
3 |
0 |
0.000 |
35 |
|
K |
18 |
7 |
20565 |
◊ |
G |
x-1,y-1,z |
1_445 |
19 |
5 |
20383 |
172.0 |
2.4 |
0.851 |
3 |
1 |
0 |
0.000 |
Average: |
186.9 |
1.5 |
0.758 |
3 |
3 |
0 |
0.000 |
11 |
36 |
|
B |
22 |
7 |
20347 |
◊ |
A |
x-y,-y+1,-z-1/3 |
5_564 |
24 |
8 |
20144 |
182.9 |
-2.8 |
0.264 |
2 |
0 |
0 |
0.000 |
12 |
37 |
|
C |
22 |
7 |
20410 |
◊ |
C |
x-y,-y,-z-1/3 |
5_554 |
22 |
7 |
20410 |
178.6 |
-2.7 |
0.256 |
2 |
0 |
0 |
0.000 |
13 |
38 |
|
I |
14 |
6 |
20501 |
◊ |
A |
x-1,y,z |
1_455 |
29 |
7 |
20144 |
166.2 |
-0.1 |
0.624 |
3 |
1 |
0 |
0.000 |
14 |
39 |
|
[MLI]L:503 |
7 |
1 |
227 |
f |
L |
x,y,z |
1_555 |
23 |
12 |
20438 |
143.3 |
4.5 |
0.438 |
5 |
0 |
0 |
0.000 |
15 |
40 |
|
[MLI]C:503 |
7 |
1 |
224 |
f |
C |
x,y,z |
1_555 |
21 |
12 |
20410 |
136.2 |
4.1 |
0.483 |
6 |
0 |
0 |
0.000 |
41 |
|
[MLI]B:504 |
7 |
1 |
226 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
20347 |
132.8 |
4.1 |
0.264 |
5 |
0 |
0 |
0.000 |
Average: |
134.5 |
4.1 |
0.373 |
6 |
0 |
0 |
0.000 |
16 |
42 |
|
[MLI]H:503 |
7 |
1 |
227 |
f |
H |
x,y,z |
1_555 |
19 |
11 |
20643 |
135.1 |
4.4 |
0.315 |
5 |
0 |
0 |
0.000 |
17 |
43 |
|
[MLI]G:503 |
7 |
1 |
224 |
f |
G |
x,y,z |
1_555 |
25 |
14 |
20383 |
135.0 |
4.3 |
0.400 |
5 |
0 |
0 |
0.000 |
44 |
|
[MLI]F:503 |
7 |
1 |
222 |
f |
F |
x,y,z |
1_555 |
21 |
14 |
20345 |
131.2 |
4.4 |
0.496 |
5 |
0 |
0 |
0.000 |
Average: |
133.1 |
4.4 |
0.448 |
5 |
0 |
0 |
0.000 |
18 |
45 |
|
[MLI]K:503 |
7 |
1 |
226 |
f |
K |
x,y,z |
1_555 |
20 |
13 |
20565 |
134.9 |
4.3 |
0.271 |
5 |
0 |
0 |
0.000 |
46 |
|
[MLI]D:504 |
7 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
20445 |
129.5 |
4.0 |
0.127 |
4 |
0 |
0 |
0.000 |
Average: |
132.2 |
4.2 |
0.199 |
5 |
0 |
0 |
0.000 |
19 |
47 |
|
[MLI]I:503 |
7 |
1 |
229 |
f |
I |
x,y,z |
1_555 |
19 |
10 |
20501 |
132.2 |
4.2 |
0.273 |
5 |
0 |
0 |
0.000 |
20 |
48 |
|
[MLI]J:503 |
7 |
1 |
226 |
f |
J |
x,y,z |
1_555 |
19 |
11 |
17345 |
130.0 |
4.2 |
0.433 |
5 |
0 |
0 |
0.000 |
21 |
49 |
|
[MLI]E:504 |
7 |
1 |
222 |
f |
E |
x,y,z |
1_555 |
20 |
11 |
20452 |
129.0 |
4.2 |
0.424 |
5 |
0 |
0 |
0.000 |
22 |
50 |
|
[MLI]A:503 |
7 |
1 |
223 |
f |
A |
x,y,z |
1_555 |
19 |
10 |
20144 |
128.6 |
4.1 |
0.421 |
6 |
0 |
0 |
0.000 |
23 |
51 |
|
[GOL]D:503 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
19 |
7 |
20445 |
124.8 |
-0.3 |
0.605 |
3 |
0 |
0 |
0.030 |
24 |
52 |
|
[GOL]B:503 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
20347 |
124.7 |
-0.1 |
0.582 |
4 |
0 |
0 |
0.034 |
25 |
53 |
|
[GOL]E:503 |
6 |
1 |
217 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
20452 |
123.0 |
-0.8 |
0.467 |
1 |
0 |
0 |
0.023 |
26 |
54 |
|
L |
10 |
4 |
20438 |
◊ |
E |
x,y,z |
1_555 |
13 |
3 |
20452 |
103.5 |
-0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
55 |
|
J |
12 |
4 |
17345 |
◊ |
I |
x,y-1,z |
1_545 |
9 |
3 |
20501 |
97.9 |
0.4 |
0.680 |
1 |
0 |
0 |
0.000 |
56 |
|
D |
11 |
3 |
20445 |
◊ |
H |
x,y-1,z |
1_545 |
10 |
4 |
20643 |
88.1 |
-0.5 |
0.512 |
1 |
0 |
0 |
0.000 |
Average: |
96.5 |
-0.1 |
0.597 |
1 |
0 |
0 |
0.000 |
27 |
57 |
|
J |
10 |
4 |
17345 |
◊ |
L |
x,y-1,z |
1_545 |
15 |
6 |
20438 |
95.6 |
-1.4 |
0.362 |
0 |
0 |
0 |
0.000 |
58 |
|
L |
10 |
5 |
20438 |
◊ |
H |
x,y,z |
1_555 |
11 |
6 |
20643 |
91.8 |
-1.0 |
0.401 |
0 |
0 |
0 |
0.000 |
59 |
|
J |
7 |
4 |
17345 |
◊ |
H |
x,y-1,z |
1_545 |
6 |
3 |
20643 |
76.0 |
-1.3 |
0.229 |
0 |
0 |
0 |
0.000 |
Average: |
87.8 |
-1.2 |
0.331 |
0 |
0 |
0 |
0.000 |
28 |
60 |
|
I |
8 |
3 |
20501 |
◊ |
I |
y-1,x+1,-z |
4_465 |
8 |
3 |
20501 |
72.1 |
-0.5 |
0.492 |
0 |
0 |
0 |
0.000 |
29 |
61 |
|
K |
11 |
5 |
20565 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
20452 |
53.1 |
1.1 |
0.696 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
3 |
1 |
20445 |
◊ |
G |
x,y-1,z |
1_545 |
5 |
3 |
20383 |
37.2 |
0.2 |
0.566 |
1 |
0 |
0 |
0.000 |
Average: |
45.1 |
0.6 |
0.631 |
1 |
0 |
0 |
0.000 |
30 |
63 |
|
L |
6 |
4 |
20438 |
◊ |
E |
x-y,-y+1,-z-1/3 |
5_564 |
4 |
2 |
20452 |
47.9 |
0.8 |
0.675 |
0 |
0 |
0 |
0.000 |
31 |
64 |
|
[MG]L:502 |
1 |
1 |
98 |
f |
L |
x,y,z |
1_555 |
9 |
5 |
20438 |
45.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.213 |
65 |
|
[MG]H:502 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
20643 |
43.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.213 |
66 |
|
[MG]G:502 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
14 |
8 |
20383 |
43.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.213 |
67 |
|
[MG]E:502 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
20452 |
43.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.213 |
68 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
20445 |
42.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.213 |
69 |
|
[MG]J:502 |
1 |
1 |
98 |
f |
J |
x,y,z |
1_555 |
10 |
7 |
17345 |
42.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.213 |
70 |
|
[MG]I:502 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
9 |
6 |
20501 |
41.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.213 |
71 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
20410 |
41.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.213 |
72 |
|
[MG]F:502 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
20345 |
41.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
73 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
20347 |
41.1 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.213 |
74 |
|
[MG]K:502 |
1 |
1 |
98 |
f |
K |
x,y,z |
1_555 |
12 |
7 |
20565 |
39.4 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.213 |
75 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
20144 |
37.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.213 |
Average: |
41.9 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.213 |
32 |
76 |
|
[MLI]A:503 |
4 |
1 |
223 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.8 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.073 |
77 |
|
[MLI]B:504 |
5 |
1 |
226 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.073 |
78 |
|
[MLI]J:503 |
5 |
1 |
226 |
f |
[MG]J:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.2 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.073 |
79 |
|
[MLI]H:503 |
4 |
1 |
227 |
f |
[MG]H:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
32.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.073 |
80 |
|
[MLI]C:503 |
3 |
1 |
224 |
f |
[MG]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.073 |
81 |
|
[MLI]L:503 |
4 |
1 |
227 |
f |
[MG]L:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
33.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.073 |
33 |
82 |
|
[MLI]K:503 |
4 |
1 |
226 |
f |
[MG]K:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.071 |
83 |
|
[MLI]I:503 |
4 |
1 |
229 |
f |
[MG]I:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.3 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.071 |
84 |
|
[MLI]D:504 |
4 |
1 |
222 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
85 |
|
[MLI]F:503 |
3 |
1 |
222 |
f |
[MG]F:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
86 |
|
[MLI]E:504 |
4 |
1 |
222 |
f |
[MG]E:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.6 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.071 |
87 |
|
[MLI]G:503 |
4 |
1 |
224 |
f |
[MG]G:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.5 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
34.8 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.071 |
34 |
88 |
|
F |
4 |
2 |
20345 |
◊ |
L |
x,y-1,z |
1_545 |
3 |
2 |
20438 |
19.3 |
0.5 |
0.662 |
0 |
0 |
0 |
0.000 |
35 |
89 |
|
H |
1 |
1 |
20643 |
◊ |
A |
x-y,-y+1,-z-1/3 |
5_564 |
1 |
1 |
20144 |
0.7 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
36 |
90 |
|
J |
1 |
1 |
17345 |
◊ |
F |
y,x,-z |
4_555 |
1 |
1 |
20345 |
0.5 |
0.0 |
0.681 |
0 |
0 |
0 |
0.000 |
|