## |
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 |
178 |
44 |
11658 |
◊ |
A |
x,y,z |
1_555 |
172 |
41 |
11557 |
1683.7 |
-27.5 |
0.055 |
16 |
4 |
0 |
0.946 |
2 |
|
O |
183 |
46 |
10772 |
◊ |
K |
x,y,z |
1_555 |
162 |
37 |
11361 |
1652.6 |
-27.9 |
0.047 |
16 |
4 |
0 |
0.946 |
3 |
|
G |
161 |
37 |
11539 |
◊ |
F |
x,y,z |
1_555 |
184 |
43 |
11655 |
1640.4 |
-26.9 |
0.048 |
13 |
4 |
0 |
0.946 |
4 |
|
T |
154 |
37 |
10964 |
◊ |
S |
x,y,z |
1_555 |
177 |
44 |
10306 |
1620.2 |
-28.7 |
0.036 |
15 |
4 |
0 |
0.946 |
5 |
|
Q |
168 |
38 |
11461 |
◊ |
P |
x,y,z |
1_555 |
177 |
45 |
10702 |
1618.1 |
-26.1 |
0.093 |
13 |
4 |
0 |
0.946 |
6 |
|
J |
181 |
45 |
10914 |
◊ |
F |
x,y,z |
1_555 |
157 |
36 |
11655 |
1617.6 |
-28.2 |
0.049 |
16 |
4 |
0 |
0.946 |
7 |
|
E |
161 |
38 |
11658 |
◊ |
D |
x,y,z |
1_555 |
178 |
44 |
11004 |
1597.9 |
-26.9 |
0.037 |
16 |
4 |
0 |
0.946 |
8 |
|
I |
160 |
38 |
11295 |
◊ |
H |
x,y,z |
1_555 |
175 |
40 |
10581 |
1562.2 |
-25.4 |
0.113 |
15 |
3 |
0 |
0.946 |
9 |
|
R |
139 |
37 |
11114 |
◊ |
Q |
x,y,z |
1_555 |
145 |
35 |
11461 |
1412.3 |
-23.6 |
0.084 |
12 |
2 |
0 |
0.946 |
10 |
|
B |
135 |
34 |
10791 |
◊ |
A |
x,y,z |
1_555 |
146 |
37 |
11557 |
1379.2 |
-22.4 |
0.081 |
13 |
3 |
0 |
0.946 |
11 |
|
J |
132 |
35 |
10914 |
◊ |
I |
x,y,z |
1_555 |
143 |
34 |
11295 |
1376.0 |
-23.7 |
0.064 |
12 |
4 |
0 |
0.946 |
12 |
|
C |
125 |
31 |
10745 |
◊ |
B |
x,y,z |
1_555 |
145 |
36 |
10791 |
1357.6 |
-23.4 |
0.045 |
11 |
2 |
0 |
0.946 |
13 |
|
D |
133 |
33 |
11004 |
◊ |
C |
x,y,z |
1_555 |
138 |
35 |
10745 |
1338.1 |
-22.0 |
0.058 |
11 |
4 |
0 |
0.946 |
14 |
|
O |
134 |
34 |
10772 |
◊ |
N |
x,y,z |
1_555 |
149 |
36 |
10185 |
1328.4 |
-20.9 |
0.112 |
13 |
3 |
0 |
0.946 |
15 |
|
H |
126 |
31 |
10581 |
◊ |
G |
x,y,z |
1_555 |
141 |
35 |
11539 |
1321.9 |
-20.9 |
0.098 |
11 |
4 |
0 |
0.946 |
16 |
|
T |
126 |
31 |
10964 |
◊ |
P |
x,y,z |
1_555 |
121 |
34 |
10702 |
1254.7 |
-21.2 |
0.083 |
11 |
3 |
0 |
0.946 |
17 |
|
L |
124 |
33 |
10262 |
◊ |
K |
x,y,z |
1_555 |
133 |
34 |
11361 |
1253.4 |
-21.5 |
0.077 |
13 |
5 |
0 |
0.946 |
18 |
|
S |
117 |
30 |
10306 |
◊ |
R |
x,y,z |
1_555 |
133 |
33 |
11114 |
1217.4 |
-20.9 |
0.070 |
10 |
2 |
0 |
0.946 |
19 |
|
M |
109 |
29 |
10130 |
◊ |
L |
x,y,z |
1_555 |
125 |
31 |
10262 |
1181.7 |
-20.3 |
0.071 |
10 |
2 |
0 |
0.946 |
20 |
|
N |
114 |
32 |
10185 |
◊ |
M |
x,y,z |
1_555 |
124 |
29 |
10130 |
1173.8 |
-20.7 |
0.090 |
8 |
1 |
0 |
0.946 |
Average: |
1429.4 |
-24.0 |
0.071 |
13 |
3 |
0 |
0.946 |
2 |
21 |
|
P |
66 |
17 |
10702 |
◊ |
K |
x,y,z |
1_555 |
66 |
17 |
11361 |
633.5 |
-3.7 |
0.664 |
4 |
2 |
0 |
0.094 |
22 |
|
G |
65 |
16 |
11539 |
◊ |
E |
x,y,z |
1_555 |
67 |
17 |
11658 |
627.6 |
-4.3 |
0.569 |
4 |
3 |
0 |
0.094 |
23 |
|
T |
67 |
16 |
10964 |
◊ |
L |
x,y,z |
1_555 |
65 |
16 |
10262 |
620.0 |
-6.1 |
0.513 |
3 |
2 |
0 |
0.094 |
24 |
|
F |
68 |
18 |
11655 |
◊ |
A |
x,y,z |
1_555 |
67 |
17 |
11557 |
617.5 |
-5.6 |
0.514 |
4 |
3 |
0 |
0.094 |
25 |
|
Q |
69 |
17 |
11461 |
◊ |
O |
x,y,z |
1_555 |
67 |
17 |
10772 |
616.4 |
-5.7 |
0.514 |
3 |
1 |
0 |
0.094 |
26 |
|
S |
66 |
18 |
10306 |
◊ |
M |
x,y,z |
1_555 |
66 |
17 |
10130 |
613.8 |
-5.2 |
0.528 |
4 |
3 |
0 |
0.094 |
27 |
|
R |
68 |
16 |
11114 |
◊ |
N |
x,y,z |
1_555 |
66 |
17 |
10185 |
613.2 |
-6.2 |
0.568 |
4 |
1 |
0 |
0.094 |
28 |
|
H |
69 |
17 |
10581 |
◊ |
D |
x,y,z |
1_555 |
68 |
17 |
11004 |
610.2 |
-6.1 |
0.459 |
2 |
2 |
0 |
0.094 |
29 |
|
J |
69 |
16 |
10914 |
◊ |
B |
x,y,z |
1_555 |
65 |
17 |
10791 |
609.3 |
-4.8 |
0.599 |
4 |
2 |
0 |
0.094 |
30 |
|
I |
67 |
17 |
11295 |
◊ |
C |
x,y,z |
1_555 |
70 |
17 |
10745 |
603.4 |
-4.6 |
0.626 |
4 |
2 |
0 |
0.094 |
Average: |
616.5 |
-5.2 |
0.556 |
4 |
2 |
0 |
0.094 |
3 |
31 |
|
G |
33 |
12 |
11539 |
◊ |
D |
x,y,z |
1_555 |
38 |
12 |
11004 |
325.3 |
1.2 |
0.806 |
4 |
0 |
0 |
0.023 |
32 |
|
Q |
38 |
12 |
11461 |
◊ |
N |
x,y,z |
1_555 |
34 |
12 |
10185 |
324.4 |
-0.5 |
0.774 |
5 |
1 |
0 |
0.023 |
33 |
|
I |
33 |
12 |
11295 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
10791 |
321.0 |
0.1 |
0.733 |
4 |
2 |
0 |
0.023 |
34 |
|
S |
34 |
12 |
10306 |
◊ |
L |
x,y,z |
1_555 |
34 |
12 |
10262 |
320.6 |
1.1 |
0.820 |
4 |
6 |
0 |
0.023 |
35 |
|
T |
35 |
12 |
10964 |
◊ |
K |
x,y,z |
1_555 |
34 |
12 |
11361 |
320.5 |
1.0 |
0.844 |
3 |
0 |
0 |
0.023 |
36 |
|
R |
31 |
12 |
11114 |
◊ |
M |
x,y,z |
1_555 |
34 |
12 |
10130 |
320.0 |
-0.0 |
0.769 |
4 |
2 |
0 |
0.023 |
37 |
|
J |
33 |
12 |
10914 |
◊ |
A |
x,y,z |
1_555 |
36 |
12 |
11557 |
313.0 |
-0.0 |
0.763 |
4 |
0 |
0 |
0.023 |
38 |
|
F |
33 |
12 |
11655 |
◊ |
E |
x,y,z |
1_555 |
35 |
12 |
11658 |
311.0 |
0.1 |
0.707 |
3 |
2 |
0 |
0.023 |
39 |
|
H |
31 |
12 |
10581 |
◊ |
C |
x,y,z |
1_555 |
29 |
12 |
10745 |
304.7 |
0.4 |
0.737 |
5 |
1 |
0 |
0.023 |
40 |
|
P |
32 |
12 |
10702 |
◊ |
O |
x,y,z |
1_555 |
33 |
12 |
10772 |
292.7 |
-1.0 |
0.630 |
2 |
0 |
0 |
0.023 |
Average: |
315.3 |
0.2 |
0.758 |
4 |
1 |
0 |
0.023 |
4 |
41 |
|
M |
25 |
6 |
10130 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
10791 |
198.0 |
-0.1 |
0.727 |
0 |
2 |
0 |
0.000 |
5 |
42 |
|
G |
16 |
8 |
11539 |
◊ |
P |
x-1,y,z |
1_455 |
16 |
7 |
10702 |
148.0 |
1.2 |
0.828 |
2 |
0 |
0 |
0.000 |
6 |
43 |
|
[GOL]G:219 |
6 |
1 |
223 |
f |
G |
x,y,z |
1_555 |
23 |
12 |
11539 |
138.3 |
0.2 |
0.645 |
5 |
0 |
0 |
0.100 |
7 |
44 |
|
[GOL]H:219 |
6 |
1 |
218 |
f |
H |
x,y,z |
1_555 |
22 |
11 |
10581 |
132.8 |
0.3 |
0.685 |
4 |
0 |
0 |
0.100 |
8 |
45 |
|
[GOL]M:219 |
6 |
1 |
217 |
f |
M |
x,y,z |
1_555 |
22 |
12 |
10130 |
132.4 |
0.9 |
0.768 |
6 |
0 |
0 |
0.100 |
9 |
46 |
|
[GOL]C:219 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
25 |
12 |
10745 |
132.0 |
0.0 |
0.596 |
4 |
0 |
0 |
0.100 |
10 |
47 |
|
[GOL]A:219 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
11557 |
131.3 |
0.1 |
0.659 |
3 |
0 |
0 |
0.100 |
11 |
48 |
|
[GOL]B:219 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
21 |
12 |
10791 |
131.2 |
-0.0 |
0.594 |
5 |
0 |
0 |
0.100 |
12 |
49 |
|
[GOL]D:219 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
20 |
11 |
11004 |
131.0 |
0.5 |
0.702 |
7 |
0 |
0 |
0.100 |
13 |
50 |
|
[GOL]R:219 |
6 |
1 |
217 |
f |
R |
x,y,z |
1_555 |
20 |
9 |
11114 |
127.0 |
0.6 |
0.739 |
6 |
0 |
0 |
0.100 |
14 |
51 |
|
[GOL]L:219 |
6 |
1 |
218 |
f |
L |
x,y,z |
1_555 |
20 |
10 |
10262 |
125.6 |
0.0 |
0.597 |
5 |
0 |
0 |
0.100 |
15 |
52 |
|
[GOL]F:219 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
20 |
10 |
11655 |
125.1 |
-0.3 |
0.571 |
3 |
0 |
0 |
0.100 |
16 |
53 |
|
I |
12 |
6 |
11295 |
◊ |
S |
x-1,y,z |
1_455 |
14 |
3 |
10306 |
124.6 |
0.5 |
0.740 |
0 |
0 |
0 |
0.000 |
17 |
54 |
|
[GOL]I:219 |
6 |
1 |
213 |
f |
I |
x,y,z |
1_555 |
17 |
9 |
11295 |
122.1 |
0.2 |
0.705 |
4 |
0 |
0 |
0.100 |
18 |
55 |
|
[GOL]Q:219 |
6 |
1 |
214 |
f |
Q |
x,y,z |
1_555 |
19 |
9 |
11461 |
121.7 |
0.3 |
0.710 |
4 |
0 |
0 |
0.100 |
19 |
56 |
|
[GOL]P:219 |
6 |
1 |
219 |
f |
P |
x,y,z |
1_555 |
18 |
9 |
10702 |
121.4 |
1.0 |
0.763 |
6 |
0 |
0 |
0.079 |
20 |
57 |
|
[GOL]S:219 |
6 |
1 |
220 |
f |
S |
x,y,z |
1_555 |
18 |
9 |
10306 |
121.3 |
0.6 |
0.714 |
5 |
0 |
0 |
0.100 |
21 |
58 |
|
[GOL]O:220 |
6 |
1 |
215 |
f |
O |
x,y,z |
1_555 |
18 |
10 |
10772 |
121.3 |
0.1 |
0.678 |
5 |
0 |
0 |
0.015 |
22 |
59 |
|
[GOL]K:219 |
6 |
1 |
216 |
f |
K |
x,y,z |
1_555 |
18 |
9 |
11361 |
120.8 |
0.1 |
0.608 |
4 |
0 |
0 |
0.100 |
23 |
60 |
|
[GOL]E:219 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
16 |
9 |
11658 |
120.1 |
-0.2 |
0.555 |
2 |
0 |
0 |
0.100 |
24 |
61 |
|
[GOL]J:219 |
6 |
1 |
217 |
f |
J |
x,y,z |
1_555 |
18 |
10 |
10914 |
119.8 |
0.8 |
0.704 |
7 |
0 |
0 |
0.100 |
25 |
62 |
|
[GOL]T:219 |
6 |
1 |
213 |
f |
T |
x,y,z |
1_555 |
16 |
9 |
10964 |
115.1 |
0.5 |
0.723 |
5 |
0 |
0 |
0.100 |
26 |
63 |
|
[GOL]N:219 |
6 |
1 |
217 |
f |
N |
x,y,z |
1_555 |
18 |
10 |
10185 |
113.3 |
0.8 |
0.798 |
8 |
0 |
0 |
0.100 |
27 |
64 |
|
R |
9 |
4 |
11114 |
◊ |
O |
x,y,z |
1_555 |
11 |
5 |
10772 |
106.6 |
-4.0 |
0.045 |
0 |
0 |
0 |
0.050 |
65 |
|
J |
11 |
4 |
10914 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
10745 |
101.3 |
-3.9 |
0.045 |
0 |
0 |
0 |
0.050 |
66 |
|
F |
7 |
3 |
11655 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
10791 |
101.1 |
-4.0 |
0.030 |
0 |
0 |
0 |
0.050 |
67 |
|
Q |
8 |
4 |
11461 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
11361 |
100.9 |
-3.9 |
0.035 |
0 |
0 |
0 |
0.050 |
68 |
|
H |
8 |
4 |
10581 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
11658 |
100.8 |
-3.9 |
0.040 |
0 |
0 |
0 |
0.050 |
69 |
|
P |
11 |
5 |
10702 |
◊ |
L |
x,y,z |
1_555 |
9 |
5 |
10262 |
100.7 |
-3.8 |
0.065 |
0 |
0 |
0 |
0.050 |
70 |
|
I |
8 |
4 |
11295 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11004 |
99.5 |
-3.8 |
0.034 |
0 |
0 |
0 |
0.050 |
71 |
|
G |
8 |
4 |
11539 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
11557 |
97.9 |
-3.9 |
0.031 |
0 |
0 |
0 |
0.050 |
72 |
|
T |
9 |
4 |
10964 |
◊ |
M |
x,y,z |
1_555 |
8 |
4 |
10130 |
97.5 |
-3.8 |
0.043 |
0 |
0 |
0 |
0.050 |
73 |
|
S |
7 |
3 |
10306 |
◊ |
N |
x,y,z |
1_555 |
9 |
4 |
10185 |
96.9 |
-3.8 |
0.035 |
0 |
0 |
0 |
0.050 |
Average: |
100.3 |
-3.9 |
0.040 |
0 |
0 |
0 |
0.050 |
28 |
74 |
|
O |
12 |
5 |
10772 |
◊ |
D |
x,y,z |
1_555 |
17 |
4 |
11004 |
100.5 |
-0.5 |
0.589 |
1 |
0 |
0 |
0.000 |
29 |
75 |
|
O |
15 |
5 |
10772 |
◊ |
E |
x,y,z |
1_555 |
12 |
4 |
11658 |
98.8 |
-0.3 |
0.643 |
0 |
1 |
0 |
0.000 |
30 |
76 |
|
D |
13 |
5 |
11004 |
◊ |
I |
-x,y-1/2,-z |
2_545 |
8 |
2 |
11295 |
97.7 |
-0.6 |
0.447 |
0 |
0 |
0 |
0.000 |
31 |
77 |
|
J |
14 |
5 |
10914 |
◊ |
S |
x-1,y,z |
1_455 |
12 |
5 |
10306 |
93.8 |
0.4 |
0.730 |
0 |
0 |
0 |
0.000 |
32 |
78 |
|
[GOL]P:220 |
6 |
1 |
217 |
f |
P |
x,y,z |
1_555 |
11 |
6 |
10702 |
84.0 |
0.5 |
0.691 |
2 |
0 |
0 |
0.021 |
33 |
79 |
|
[SO4]O:219 |
5 |
1 |
186 |
f |
O |
x,y,z |
1_555 |
11 |
7 |
10772 |
83.3 |
-11.9 |
0.866 |
1 |
0 |
0 |
0.085 |
34 |
80 |
|
A |
6 |
3 |
11557 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
11655 |
54.3 |
-1.7 |
0.228 |
0 |
0 |
0 |
0.000 |
35 |
81 |
|
K |
8 |
4 |
11361 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
6 |
3 |
10581 |
47.6 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
36 |
82 |
|
G |
6 |
3 |
11539 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
7 |
3 |
11655 |
47.0 |
1.4 |
0.888 |
1 |
2 |
0 |
0.000 |
37 |
83 |
|
A |
4 |
2 |
11557 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
6 |
4 |
10914 |
45.8 |
0.7 |
0.833 |
2 |
2 |
0 |
0.000 |
38 |
84 |
|
Q |
5 |
3 |
11461 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
7 |
3 |
10791 |
40.3 |
1.5 |
0.877 |
0 |
0 |
0 |
0.000 |
39 |
85 |
|
Q |
3 |
2 |
11461 |
◊ |
T |
x,y-1,z |
1_545 |
4 |
2 |
10964 |
39.1 |
1.1 |
0.791 |
1 |
0 |
0 |
0.000 |
40 |
86 |
|
D |
2 |
2 |
11004 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
5 |
2 |
10581 |
24.7 |
0.8 |
0.793 |
0 |
0 |
0 |
0.000 |
41 |
87 |
|
O |
3 |
2 |
10772 |
◊ |
H |
-x,y-1/2,-z |
2_545 |
5 |
3 |
10581 |
23.7 |
0.6 |
0.758 |
0 |
0 |
0 |
0.000 |
42 |
88 |
|
N |
3 |
3 |
10185 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
11658 |
21.4 |
0.6 |
0.788 |
0 |
0 |
0 |
0.000 |
43 |
89 |
|
H |
4 |
2 |
10581 |
◊ |
T |
x-1,y,z |
1_455 |
2 |
2 |
10964 |
21.2 |
0.6 |
0.845 |
0 |
0 |
0 |
0.000 |
44 |
90 |
|
E |
3 |
2 |
11658 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
11004 |
19.5 |
0.3 |
0.773 |
0 |
0 |
0 |
0.000 |
45 |
91 |
|
K |
4 |
2 |
11361 |
◊ |
L |
x,y-1,z |
1_545 |
4 |
1 |
10262 |
18.4 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.000 |
46 |
92 |
|
Q |
5 |
2 |
11461 |
◊ |
M |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
1 |
10130 |
16.6 |
-0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
47 |
93 |
|
J |
3 |
1 |
10914 |
◊ |
R |
x-1,y,z |
1_455 |
2 |
1 |
11114 |
12.5 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
48 |
94 |
|
N |
1 |
1 |
10185 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11114 |
7.6 |
0.6 |
0.918 |
0 |
0 |
0 |
0.000 |
49 |
95 |
|
K |
1 |
1 |
11361 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11004 |
4.7 |
-0.0 |
0.542 |
0 |
0 |
0 |
0.000 |
50 |
96 |
|
A |
1 |
1 |
11557 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
1 |
1 |
11114 |
3.4 |
0.3 |
0.848 |
0 |
0 |
0 |
0.000 |
51 |
97 |
|
L |
1 |
1 |
10262 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
10745 |
0.9 |
-0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
52 |
98 |
|
G |
1 |
1 |
11539 |
◊ |
T |
x-1,y,z |
1_455 |
1 |
1 |
10964 |
0.7 |
0.0 |
0.732 |
0 |
0 |
0 |
0.000 |
|