## |
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 |
|
G |
443 |
119 |
18321 |
◊ |
G |
-x,-y,z |
2_555 |
445 |
120 |
18321 |
4255.9 |
-44.7 |
0.025 |
74 |
22 |
0 |
0.618 |
2 |
|
B |
448 |
120 |
18297 |
◊ |
B |
-x+1,-y,z |
2_655 |
446 |
121 |
18297 |
4228.3 |
-42.5 |
0.039 |
72 |
18 |
0 |
0.618 |
3 |
|
C |
445 |
115 |
18276 |
◊ |
A |
-x+1,-y,z |
2_655 |
433 |
118 |
18181 |
4201.6 |
-44.9 |
0.035 |
62 |
20 |
0 |
0.618 |
4 |
|
H |
440 |
115 |
18262 |
◊ |
F |
-x,-y,z |
2_555 |
435 |
118 |
18193 |
4196.1 |
-43.6 |
0.032 |
69 |
20 |
0 |
0.618 |
5 |
|
E |
420 |
113 |
18614 |
◊ |
D |
-x+1,-y,z |
2_655 |
420 |
112 |
18655 |
4002.8 |
-41.6 |
0.032 |
62 |
19 |
0 |
0.618 |
6 |
|
J |
417 |
115 |
18427 |
◊ |
I |
-x,-y,z |
2_555 |
411 |
111 |
18521 |
3967.6 |
-40.4 |
0.035 |
60 |
19 |
0 |
0.618 |
Average: |
4142.1 |
-42.9 |
0.033 |
67 |
20 |
0 |
0.618 |
2 |
7 |
|
G |
73 |
19 |
18321 |
◊ |
F |
-x,-y,z |
2_555 |
71 |
19 |
18193 |
688.1 |
2.4 |
0.882 |
14 |
21 |
0 |
0.053 |
8 |
|
B |
70 |
19 |
18297 |
◊ |
A |
-x+1,-y,z |
2_655 |
66 |
18 |
18181 |
668.9 |
1.4 |
0.840 |
14 |
17 |
0 |
0.053 |
9 |
|
E |
67 |
19 |
18614 |
◊ |
C |
-x+1,-y,z |
2_655 |
68 |
20 |
18276 |
649.7 |
1.4 |
0.839 |
14 |
20 |
0 |
0.053 |
10 |
|
D |
66 |
18 |
18655 |
◊ |
D |
-x+1,-y,z |
2_655 |
66 |
18 |
18655 |
645.5 |
3.1 |
0.916 |
14 |
20 |
0 |
0.053 |
11 |
|
J |
68 |
19 |
18427 |
◊ |
H |
-x,-y,z |
2_555 |
69 |
19 |
18262 |
635.1 |
1.7 |
0.849 |
14 |
20 |
0 |
0.053 |
12 |
|
I |
68 |
18 |
18521 |
◊ |
I |
-x,-y,z |
2_555 |
68 |
18 |
18521 |
624.6 |
3.1 |
0.917 |
14 |
20 |
0 |
0.053 |
Average: |
652.0 |
2.2 |
0.874 |
14 |
20 |
0 |
0.053 |
3 |
13 |
|
[CAP]H:446 |
20 |
1 |
477 |
f |
H |
x,y,z |
1_555 |
50 |
23 |
18262 |
291.9 |
-5.4 |
0.605 |
16 |
0 |
0 |
0.217 |
14 |
|
[CAP]G:446 |
20 |
1 |
484 |
f |
G |
x,y,z |
1_555 |
50 |
23 |
18321 |
288.2 |
-5.4 |
0.611 |
20 |
0 |
0 |
0.217 |
15 |
|
[CAP]B:446 |
20 |
1 |
481 |
f |
B |
x,y,z |
1_555 |
52 |
24 |
18297 |
287.8 |
-5.1 |
0.602 |
18 |
0 |
0 |
0.217 |
16 |
|
[CAP]D:446 |
20 |
1 |
485 |
f |
D |
x,y,z |
1_555 |
53 |
23 |
18655 |
287.5 |
-5.1 |
0.615 |
17 |
0 |
0 |
0.217 |
17 |
|
[CAP]I:446 |
20 |
1 |
485 |
f |
I |
x,y,z |
1_555 |
52 |
23 |
18521 |
283.5 |
-5.1 |
0.617 |
20 |
0 |
0 |
0.217 |
18 |
|
[CAP]A:446 |
20 |
1 |
485 |
f |
A |
x,y,z |
1_555 |
50 |
24 |
18181 |
282.8 |
-5.4 |
0.630 |
21 |
0 |
0 |
0.217 |
19 |
|
[CAP]F:446 |
20 |
1 |
486 |
f |
F |
x,y,z |
1_555 |
52 |
24 |
18193 |
281.1 |
-5.4 |
0.628 |
20 |
0 |
0 |
0.217 |
Average: |
286.1 |
-5.3 |
0.615 |
19 |
0 |
0 |
0.217 |
4 |
20 |
|
[CAP]J:446 |
20 |
1 |
475 |
f |
J |
x,y,z |
1_555 |
46 |
21 |
18427 |
289.7 |
-7.4 |
0.505 |
14 |
0 |
0 |
0.111 |
21 |
|
[CAP]E:446 |
20 |
1 |
473 |
f |
E |
x,y,z |
1_555 |
46 |
21 |
18614 |
286.5 |
-7.5 |
0.505 |
14 |
0 |
0 |
0.111 |
Average: |
288.1 |
-7.4 |
0.505 |
14 |
0 |
0 |
0.111 |
5 |
22 |
|
[CAP]C:446 |
20 |
1 |
475 |
f |
C |
x,y,z |
1_555 |
47 |
22 |
18276 |
289.0 |
-5.6 |
0.622 |
15 |
0 |
0 |
0.099 |
6 |
23 |
|
J |
26 |
8 |
18427 |
◊ |
I |
x,y,z |
1_555 |
35 |
9 |
18521 |
241.7 |
-0.5 |
0.568 |
3 |
4 |
0 |
0.045 |
24 |
|
E |
26 |
8 |
18614 |
◊ |
D |
x,y,z |
1_555 |
33 |
8 |
18655 |
234.5 |
-0.9 |
0.522 |
2 |
4 |
0 |
0.045 |
25 |
|
B |
25 |
8 |
18297 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
18181 |
231.9 |
-1.3 |
0.442 |
3 |
4 |
0 |
0.045 |
26 |
|
H |
25 |
8 |
18262 |
◊ |
G |
x,y,z |
1_555 |
32 |
8 |
18321 |
231.3 |
-1.2 |
0.460 |
4 |
4 |
0 |
0.045 |
27 |
|
J |
30 |
7 |
18427 |
◊ |
F |
x,y,z |
1_555 |
25 |
7 |
18193 |
230.8 |
-1.1 |
0.496 |
2 |
3 |
0 |
0.045 |
28 |
|
C |
25 |
8 |
18276 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
18297 |
228.8 |
-1.2 |
0.465 |
3 |
3 |
0 |
0.045 |
29 |
|
G |
26 |
8 |
18321 |
◊ |
F |
x,y,z |
1_555 |
30 |
7 |
18193 |
228.0 |
-1.9 |
0.402 |
4 |
3 |
0 |
0.045 |
30 |
|
E |
31 |
8 |
18614 |
◊ |
A |
x,y,z |
1_555 |
25 |
8 |
18181 |
227.9 |
-1.2 |
0.486 |
2 |
3 |
0 |
0.045 |
31 |
|
I |
26 |
8 |
18521 |
◊ |
H |
x,y,z |
1_555 |
32 |
9 |
18262 |
223.1 |
-1.5 |
0.484 |
3 |
3 |
0 |
0.045 |
32 |
|
D |
25 |
8 |
18655 |
◊ |
C |
x,y,z |
1_555 |
28 |
8 |
18276 |
221.0 |
-1.6 |
0.454 |
3 |
3 |
0 |
0.045 |
Average: |
229.9 |
-1.2 |
0.478 |
3 |
3 |
0 |
0.045 |
7 |
33 |
|
B |
25 |
9 |
18297 |
◊ |
D |
x,y,z-1 |
1_554 |
26 |
10 |
18655 |
200.2 |
0.5 |
0.726 |
2 |
2 |
0 |
0.000 |
34 |
|
G |
25 |
8 |
18321 |
◊ |
I |
x,y,z-1 |
1_554 |
24 |
10 |
18521 |
197.3 |
0.4 |
0.717 |
2 |
2 |
0 |
0.000 |
Average: |
198.7 |
0.4 |
0.722 |
2 |
2 |
0 |
0.000 |
8 |
35 |
|
H |
21 |
6 |
18262 |
◊ |
E |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
6 |
18614 |
154.4 |
-0.8 |
0.527 |
2 |
0 |
0 |
0.000 |
36 |
|
J |
15 |
5 |
18427 |
◊ |
C |
x-1/2,-y-1/2,-z+1 |
4_446 |
20 |
5 |
18276 |
152.8 |
-0.7 |
0.553 |
2 |
0 |
0 |
0.000 |
Average: |
153.6 |
-0.8 |
0.540 |
2 |
0 |
0 |
0.000 |
9 |
37 |
|
I |
20 |
5 |
18521 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
18614 |
145.6 |
-1.0 |
0.399 |
0 |
0 |
0 |
0.000 |
38 |
|
H |
9 |
2 |
18262 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
18181 |
102.7 |
-0.5 |
0.371 |
0 |
0 |
0 |
0.000 |
Average: |
124.2 |
-0.7 |
0.385 |
0 |
0 |
0 |
0.000 |
10 |
39 |
|
F |
14 |
7 |
18193 |
◊ |
A |
-x+1/2,y-1/2,-z |
3_545 |
14 |
7 |
18181 |
123.4 |
-0.7 |
0.536 |
0 |
0 |
0 |
0.000 |
11 |
40 |
|
[CAP]I:446 |
13 |
1 |
485 |
◊ |
J |
-x,-y,z |
2_555 |
12 |
4 |
18427 |
102.3 |
-0.8 |
0.802 |
3 |
0 |
0 |
0.031 |
41 |
|
[CAP]D:446 |
12 |
1 |
485 |
◊ |
E |
-x+1,-y,z |
2_655 |
12 |
4 |
18614 |
101.0 |
-0.7 |
0.791 |
3 |
0 |
0 |
0.031 |
42 |
|
[CAP]G:446 |
12 |
1 |
484 |
◊ |
G |
-x,-y,z |
2_555 |
13 |
4 |
18321 |
99.9 |
-1.3 |
0.752 |
1 |
0 |
0 |
0.031 |
43 |
|
[CAP]F:446 |
13 |
1 |
486 |
◊ |
H |
-x,-y,z |
2_555 |
12 |
4 |
18262 |
98.9 |
-1.0 |
0.803 |
2 |
0 |
0 |
0.031 |
44 |
|
[CAP]B:446 |
12 |
1 |
481 |
◊ |
B |
-x+1,-y,z |
2_655 |
11 |
4 |
18297 |
98.2 |
-1.1 |
0.761 |
1 |
0 |
0 |
0.031 |
45 |
|
[CAP]A:446 |
12 |
1 |
485 |
◊ |
C |
-x+1,-y,z |
2_655 |
12 |
4 |
18276 |
98.0 |
-1.0 |
0.798 |
2 |
0 |
0 |
0.031 |
46 |
|
[CAP]H:446 |
12 |
1 |
477 |
◊ |
F |
-x,-y,z |
2_555 |
10 |
4 |
18193 |
94.6 |
-1.1 |
0.755 |
2 |
0 |
0 |
0.031 |
47 |
|
[CAP]C:446 |
11 |
1 |
475 |
◊ |
A |
-x+1,-y,z |
2_655 |
9 |
4 |
18181 |
94.4 |
-1.1 |
0.769 |
2 |
0 |
0 |
0.031 |
Average: |
98.4 |
-1.0 |
0.779 |
2 |
0 |
0 |
0.031 |
12 |
48 |
|
G |
11 |
4 |
18321 |
◊ |
C |
x,y,z |
1_555 |
14 |
3 |
18276 |
94.8 |
-1.0 |
0.426 |
0 |
0 |
0 |
0.000 |
49 |
|
F |
8 |
2 |
18193 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
18655 |
65.6 |
-0.5 |
0.440 |
0 |
0 |
0 |
0.000 |
Average: |
80.2 |
-0.7 |
0.433 |
0 |
0 |
0 |
0.000 |
13 |
50 |
|
[CAP]E:446 |
11 |
1 |
473 |
◊ |
D |
-x+1,-y,z |
2_655 |
12 |
4 |
18655 |
91.8 |
0.8 |
0.820 |
4 |
0 |
0 |
0.008 |
51 |
|
[CAP]J:446 |
11 |
1 |
475 |
◊ |
I |
-x,-y,z |
2_555 |
11 |
4 |
18521 |
89.3 |
1.0 |
0.823 |
4 |
0 |
0 |
0.008 |
Average: |
90.5 |
0.9 |
0.822 |
4 |
0 |
0 |
0.008 |
14 |
52 |
|
J |
10 |
4 |
18427 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
3_546 |
10 |
4 |
18614 |
85.7 |
-0.9 |
0.429 |
0 |
0 |
0 |
0.000 |
15 |
53 |
|
[MG]H:445 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
9 |
6 |
18262 |
32.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.075 |
54 |
|
[MG]C:445 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
18276 |
31.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
55 |
|
[MG]A:445 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
7 |
18181 |
31.1 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.075 |
56 |
|
[MG]I:445 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
8 |
7 |
18521 |
30.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.075 |
57 |
|
[MG]B:445 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
18297 |
30.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.075 |
58 |
|
[MG]D:445 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
18655 |
30.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.075 |
59 |
|
[MG]G:445 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
11 |
8 |
18321 |
30.3 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.075 |
60 |
|
[MG]F:445 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
8 |
6 |
18193 |
30.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
30.9 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.075 |
16 |
61 |
|
[CA]J:445 |
1 |
1 |
85 |
f |
J |
x,y,z |
1_555 |
9 |
6 |
18427 |
30.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.056 |
62 |
|
[CA]E:445 |
1 |
1 |
85 |
f |
E |
x,y,z |
1_555 |
10 |
7 |
18614 |
30.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.056 |
Average: |
30.1 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.056 |
17 |
63 |
|
[CAP]C:446 |
3 |
1 |
475 |
f |
[MG]C:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
64 |
|
[CAP]B:446 |
3 |
1 |
481 |
f |
[MG]B:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.060 |
65 |
|
[CAP]I:446 |
3 |
1 |
485 |
f |
[MG]I:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
29.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
66 |
|
[CAP]H:446 |
3 |
1 |
477 |
f |
[MG]H:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.9 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.060 |
67 |
|
[CAP]G:446 |
3 |
1 |
484 |
f |
[MG]G:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.060 |
68 |
|
[CAP]F:446 |
3 |
1 |
486 |
f |
[MG]F:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
69 |
|
[CAP]D:446 |
3 |
1 |
485 |
f |
[MG]D:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.6 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
70 |
|
[CAP]A:446 |
3 |
1 |
485 |
f |
[MG]A:445 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.060 |
Average: |
28.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.060 |
18 |
71 |
|
[CA]E:445 |
1 |
1 |
85 |
f |
[CAP]E:446 |
x,y,z |
1_555 |
4 |
1 |
473 |
24.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.033 |
72 |
|
[CA]J:445 |
1 |
1 |
85 |
f |
[CAP]J:446 |
x,y,z |
1_555 |
4 |
1 |
475 |
24.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
24.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.033 |
19 |
73 |
|
[CA]J:445 |
1 |
1 |
85 |
◊ |
I |
-x,-y,z |
2_555 |
2 |
2 |
18521 |
13.8 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.014 |
74 |
|
[CA]E:445 |
1 |
1 |
85 |
◊ |
D |
-x+1,-y,z |
2_655 |
2 |
2 |
18655 |
13.6 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
Average: |
13.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.014 |
20 |
75 |
|
[MG]B:445 |
1 |
1 |
98 |
◊ |
B |
-x+1,-y,z |
2_655 |
2 |
2 |
18297 |
12.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
76 |
|
[MG]G:445 |
1 |
1 |
98 |
◊ |
G |
-x,-y,z |
2_555 |
2 |
2 |
18321 |
12.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
77 |
|
[MG]C:445 |
1 |
1 |
98 |
◊ |
A |
-x+1,-y,z |
2_655 |
1 |
1 |
18181 |
12.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
78 |
|
[MG]H:445 |
1 |
1 |
98 |
◊ |
F |
-x,-y,z |
2_555 |
1 |
1 |
18193 |
12.6 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
79 |
|
[MG]D:445 |
1 |
1 |
98 |
◊ |
E |
-x+1,-y,z |
2_655 |
1 |
1 |
18614 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
80 |
|
[MG]A:445 |
1 |
1 |
98 |
◊ |
C |
-x+1,-y,z |
2_655 |
1 |
1 |
18276 |
12.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
81 |
|
[MG]F:445 |
1 |
1 |
98 |
◊ |
H |
-x,-y,z |
2_555 |
1 |
1 |
18262 |
12.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
82 |
|
[MG]I:445 |
1 |
1 |
98 |
◊ |
J |
-x,-y,z |
2_555 |
1 |
1 |
18427 |
11.9 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
12.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.016 |
|