## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
324 |
79 |
13983 |
◊ |
A |
x,y,z |
1_555 |
314 |
79 |
13918 |
2976.0 |
-52.0 |
0.894 |
31 |
1 |
0 |
0.268 |
2 |
|
A |
158 |
42 |
13918 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
155 |
41 |
13918 |
1530.2 |
-19.7 |
0.955 |
15 |
10 |
0 |
0.122 |
3 |
|
C |
122 |
34 |
17259 |
◊ |
B |
x,y,z |
1_555 |
116 |
34 |
13983 |
1140.6 |
-18.5 |
0.475 |
10 |
8 |
0 |
0.137 |
4 |
|
G |
86 |
22 |
3857 |
◊ |
B |
x,y,z |
1_555 |
93 |
30 |
13983 |
871.1 |
-19.4 |
0.669 |
3 |
0 |
0 |
0.187 |
5 |
|
H |
79 |
18 |
3013 |
◊ |
C |
x,y,z |
1_555 |
82 |
24 |
17259 |
737.2 |
-15.0 |
0.228 |
6 |
0 |
0 |
0.117 |
6 |
|
G |
79 |
22 |
3857 |
◊ |
A |
x,y,z |
1_555 |
68 |
21 |
13918 |
690.9 |
-15.7 |
0.349 |
0 |
0 |
0 |
0.077 |
7 |
|
[CLA]B:201 |
55 |
1 |
1268 |
f |
B |
x,y,z |
1_555 |
62 |
21 |
13983 |
620.2 |
-11.9 |
0.545 |
0 |
0 |
0 |
0.293 |
8 |
|
D |
63 |
17 |
11450 |
◊ |
C |
x,y,z |
1_555 |
55 |
16 |
17259 |
602.6 |
-13.6 |
0.071 |
2 |
0 |
0 |
0.096 |
9 |
|
[OPC]B:1001 |
45 |
1 |
1351 |
f |
B |
x,y,z |
1_555 |
70 |
25 |
13983 |
596.7 |
-12.6 |
0.875 |
4 |
0 |
0 |
0.354 |
10 |
|
[HEM]C:301 |
43 |
1 |
816 |
f |
C |
x,y,z |
1_555 |
93 |
32 |
17259 |
588.1 |
-20.6 |
0.690 |
3 |
0 |
0 |
0.575 |
11 |
|
D |
65 |
17 |
11450 |
◊ |
B |
x,x-y+1,-z+1/6 |
12_565 |
53 |
17 |
13983 |
573.8 |
-7.1 |
0.766 |
5 |
1 |
0 |
0.042 |
12 |
|
[HEM]A:301 |
43 |
1 |
766 |
cf |
A |
x,y,z |
1_555 |
87 |
27 |
13918 |
556.5 |
-21.4 |
0.684 |
2 |
0 |
0 |
0.195 |
13 |
|
[HEM]A:302 |
43 |
1 |
809 |
cf |
A |
x,y,z |
1_555 |
84 |
30 |
13918 |
548.1 |
-21.5 |
0.740 |
3 |
0 |
0 |
0.200 |
14 |
|
C |
64 |
14 |
17259 |
◊ |
B |
x-y,-y+1,-z |
8_565 |
50 |
12 |
13983 |
487.7 |
-4.8 |
0.773 |
1 |
0 |
0 |
0.000 |
15 |
|
H |
54 |
13 |
3013 |
◊ |
F |
x,y,z |
1_555 |
66 |
15 |
3188 |
443.0 |
-10.3 |
0.926 |
1 |
0 |
0 |
0.117 |
16 |
|
D |
41 |
9 |
11450 |
◊ |
A |
x,y,z |
1_555 |
56 |
16 |
13918 |
433.7 |
-8.9 |
0.319 |
4 |
0 |
0 |
0.086 |
17 |
|
[HEM]A:303 |
42 |
1 |
804 |
cf |
A |
x,y,z |
1_555 |
56 |
20 |
13918 |
392.6 |
-12.8 |
0.856 |
2 |
0 |
0 |
0.120 |
18 |
|
H |
44 |
11 |
3013 |
◊ |
E |
x,y,z |
1_555 |
57 |
12 |
3090 |
386.2 |
-10.9 |
0.783 |
1 |
0 |
0 |
1.000 |
19 |
|
E |
49 |
10 |
3090 |
◊ |
C |
x,y,z |
1_555 |
37 |
11 |
17259 |
381.0 |
-9.6 |
0.217 |
1 |
1 |
0 |
0.266 |
20 |
|
D |
44 |
14 |
11450 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
38 |
13 |
13918 |
373.3 |
-6.5 |
0.492 |
2 |
0 |
0 |
0.047 |
21 |
|
H |
51 |
12 |
3013 |
◊ |
B |
x,y,z |
1_555 |
41 |
13 |
13983 |
370.5 |
-8.5 |
0.484 |
3 |
5 |
0 |
0.261 |
22 |
|
G |
44 |
12 |
3857 |
◊ |
F |
x,y,z |
1_555 |
43 |
11 |
3188 |
357.5 |
-9.6 |
0.695 |
1 |
0 |
0 |
0.419 |
23 |
|
[CLA]B:201 |
26 |
1 |
1268 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
13918 |
337.0 |
-4.7 |
0.534 |
0 |
0 |
0 |
0.019 |
24 |
|
F |
25 |
9 |
3188 |
◊ |
E |
x,y,z |
1_555 |
35 |
10 |
3090 |
327.2 |
-6.9 |
0.778 |
1 |
0 |
0 |
0.385 |
25 |
|
[OPC]A:1002 |
35 |
1 |
1359 |
f |
F |
x,y,z |
1_555 |
39 |
10 |
3188 |
320.0 |
-7.7 |
0.933 |
0 |
0 |
0 |
0.401 |
26 |
|
[SQD]D:201 |
29 |
1 |
1281 |
f |
D |
x,y,z |
1_555 |
38 |
10 |
11450 |
292.3 |
-2.0 |
0.634 |
3 |
0 |
0 |
0.027 |
27 |
|
[UMQ]A:1102 |
27 |
1 |
794 |
cf |
A |
x,y,z |
1_555 |
30 |
8 |
13918 |
282.0 |
-1.9 |
0.826 |
1 |
0 |
0 |
0.020 |
28 |
|
C |
33 |
9 |
17259 |
◊ |
C |
-y,-x,-z-1/6 |
10_554 |
32 |
9 |
17259 |
261.1 |
-0.5 |
0.784 |
2 |
0 |
0 |
0.000 |
29 |
|
[OPC]A:1002 |
26 |
1 |
1359 |
◊ |
H |
x,y,z |
1_555 |
28 |
7 |
3013 |
240.7 |
-5.6 |
0.796 |
0 |
0 |
0 |
0.061 |
30 |
|
[UMQ]A:1103 |
26 |
1 |
788 |
f |
A |
x,y,z |
1_555 |
25 |
7 |
13918 |
234.8 |
-2.7 |
0.791 |
1 |
0 |
0 |
0.027 |
31 |
|
[BCR]G:101 |
24 |
1 |
977 |
◊ |
G |
x,y,z |
1_555 |
26 |
8 |
3857 |
208.1 |
-2.8 |
0.730 |
0 |
0 |
0 |
0.014 |
32 |
|
[UMQ]C:1101 |
17 |
1 |
751 |
f |
C |
x,y,z |
1_555 |
34 |
6 |
17259 |
197.6 |
-5.2 |
0.549 |
2 |
0 |
0 |
0.159 |
33 |
|
E |
22 |
6 |
3090 |
◊ |
D |
x,y,z |
1_555 |
22 |
6 |
11450 |
191.4 |
-3.4 |
0.634 |
2 |
0 |
0 |
0.029 |
34 |
|
H |
21 |
6 |
3013 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
13918 |
185.8 |
-2.5 |
0.631 |
1 |
0 |
0 |
0.011 |
35 |
|
[QNO]A:501 |
21 |
1 |
559 |
◊ |
B |
x,y,z |
1_555 |
25 |
9 |
13983 |
183.9 |
-2.4 |
0.569 |
0 |
0 |
0 |
0.010 |
36 |
|
[UMQ]C:1101 |
20 |
1 |
751 |
◊ |
A |
x,y,z |
1_555 |
21 |
9 |
13918 |
182.0 |
-2.7 |
0.768 |
1 |
0 |
0 |
0.018 |
37 |
|
C |
21 |
7 |
17259 |
◊ |
A |
x,y,z |
1_555 |
22 |
5 |
13918 |
179.4 |
-0.1 |
0.856 |
1 |
2 |
0 |
0.005 |
38 |
|
[BCR]G:101 |
19 |
1 |
977 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
13918 |
178.7 |
-4.8 |
0.284 |
0 |
0 |
0 |
0.042 |
39 |
|
[UMQ]A:1102 |
18 |
1 |
794 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
19 |
6 |
13918 |
173.5 |
-5.3 |
0.528 |
0 |
0 |
0 |
0.046 |
40 |
|
D |
16 |
8 |
11450 |
◊ |
B |
x,y,z |
1_555 |
16 |
5 |
13983 |
171.4 |
-4.7 |
0.255 |
0 |
0 |
0 |
0.022 |
41 |
|
[HEM]A:303 |
23 |
1 |
804 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
13983 |
170.0 |
-6.7 |
0.745 |
0 |
0 |
0 |
0.027 |
42 |
|
[OPC]A:1002 |
16 |
1 |
1359 |
◊ |
E |
x,y,z |
1_555 |
16 |
6 |
3090 |
154.3 |
-4.1 |
0.878 |
0 |
0 |
0 |
0.214 |
43 |
|
F |
14 |
5 |
3188 |
◊ |
C |
x,y,z |
1_555 |
22 |
10 |
17259 |
153.9 |
-2.2 |
0.681 |
0 |
0 |
0 |
0.029 |
44 |
|
[OPC]B:1001 |
19 |
1 |
1351 |
f |
[CLA]B:201 |
x,y,z |
1_555 |
21 |
1 |
1268 |
148.1 |
-3.8 |
0.730 |
0 |
0 |
0 |
0.092 |
45 |
|
[BCR]G:101 |
20 |
1 |
977 |
◊ |
F |
x,y,z |
1_555 |
12 |
4 |
3188 |
133.3 |
-2.6 |
0.545 |
0 |
0 |
0 |
0.008 |
46 |
|
[BCR]G:101 |
15 |
1 |
977 |
◊ |
H |
x,y,z |
1_555 |
17 |
5 |
3013 |
130.4 |
-1.4 |
0.748 |
0 |
0 |
0 |
0.006 |
47 |
|
[QNO]A:501 |
14 |
1 |
559 |
f |
[HEM]A:303 |
x,y,z |
1_555 |
22 |
1 |
804 |
120.1 |
-3.1 |
0.782 |
0 |
0 |
0 |
0.028 |
48 |
|
[FES]D:200 |
4 |
1 |
237 |
cf |
D |
x,y,z |
1_555 |
9 |
8 |
11450 |
118.9 |
-16.8 |
0.475 |
1 |
0 |
0 |
0.139 |
49 |
|
H |
11 |
4 |
3013 |
◊ |
G |
x,y,z |
1_555 |
12 |
6 |
3857 |
118.4 |
-2.9 |
0.463 |
0 |
0 |
0 |
0.027 |
50 |
|
[UMQ]A:1104 |
12 |
1 |
785 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
13918 |
115.8 |
-3.8 |
0.474 |
2 |
0 |
0 |
0.041 |
51 |
|
[SQD]D:201 |
16 |
1 |
1281 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13983 |
110.3 |
1.7 |
0.848 |
2 |
0 |
0 |
0.000 |
52 |
|
[QNO]A:501 |
9 |
1 |
559 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
13918 |
107.9 |
-1.5 |
0.428 |
1 |
0 |
0 |
0.017 |
53 |
|
C |
10 |
3 |
17259 |
◊ |
G |
x-y,-y+1,-z |
8_565 |
14 |
5 |
3857 |
107.9 |
0.4 |
0.880 |
0 |
0 |
0 |
0.000 |
54 |
|
[OPC]A:1002 |
11 |
1 |
1359 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
13983 |
104.3 |
-3.8 |
0.497 |
0 |
0 |
0 |
0.041 |
55 |
|
[SQD]D:201 |
12 |
1 |
1281 |
◊ |
[UMQ]A:1104 |
x,y,z |
1_555 |
14 |
1 |
785 |
102.1 |
-2.9 |
0.545 |
0 |
0 |
0 |
0.023 |
56 |
|
[UMQ]A:1104 |
15 |
1 |
785 |
f |
[UMQ]A:1103 |
x,y,z |
1_555 |
13 |
1 |
788 |
99.6 |
-2.4 |
0.644 |
0 |
0 |
0 |
0.021 |
57 |
|
[OPC]A:1002 |
16 |
1 |
1359 |
◊ |
G |
x,y,z |
1_555 |
9 |
3 |
3857 |
90.3 |
-2.6 |
0.523 |
0 |
0 |
0 |
0.108 |
58 |
|
B |
7 |
4 |
13983 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
12 |
4 |
13918 |
87.3 |
-1.5 |
0.518 |
0 |
0 |
0 |
0.006 |
59 |
|
[HEM]A:303 |
23 |
1 |
804 |
f |
[HEM]A:302 |
x,y,z |
1_555 |
8 |
1 |
809 |
77.1 |
-2.9 |
0.900 |
0 |
0 |
0 |
0.025 |
60 |
|
[OPC]A:1002 |
6 |
1 |
1359 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
13918 |
76.9 |
-2.8 |
0.359 |
0 |
0 |
0 |
0.009 |
61 |
|
G |
8 |
4 |
3857 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
17259 |
73.1 |
1.0 |
0.890 |
1 |
2 |
0 |
0.000 |
62 |
|
[BCR]G:101 |
6 |
1 |
977 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
13983 |
72.9 |
0.5 |
0.730 |
0 |
0 |
0 |
0.000 |
63 |
|
[UMQ]A:1104 |
12 |
1 |
785 |
◊ |
B |
x,y,z |
1_555 |
10 |
2 |
13983 |
70.9 |
-1.4 |
0.684 |
1 |
0 |
0 |
0.007 |
64 |
|
[UMQ]C:1101 |
7 |
1 |
751 |
◊ |
B |
x,y,z |
1_555 |
6 |
3 |
13983 |
64.6 |
-2.3 |
0.408 |
0 |
0 |
0 |
0.013 |
65 |
|
[UMQ]C:1101 |
5 |
1 |
751 |
◊ |
D |
x,y,z |
1_555 |
10 |
3 |
11450 |
63.7 |
-5.4 |
0.258 |
0 |
0 |
0 |
0.036 |
66 |
|
[OPC]A:1002 |
9 |
1 |
1359 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17259 |
61.8 |
-0.2 |
0.751 |
1 |
0 |
0 |
0.008 |
67 |
|
[SQD]D:201 |
9 |
1 |
1281 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
17259 |
59.2 |
0.3 |
0.656 |
1 |
0 |
0 |
0.000 |
68 |
|
C |
5 |
2 |
17259 |
◊ |
A |
x-y,-y+1,-z |
8_565 |
5 |
1 |
13918 |
57.7 |
1.2 |
0.928 |
0 |
2 |
0 |
0.000 |
69 |
|
[UMQ]A:1103 |
4 |
1 |
788 |
◊ |
[UMQ]A:1102 |
x,x-y+1,-z+1/6 |
12_565 |
7 |
1 |
794 |
56.9 |
-3.0 |
0.328 |
0 |
0 |
0 |
0.026 |
70 |
|
A |
8 |
4 |
13918 |
◊ |
C |
x-y+1,x+1,z+1/6 |
6_665 |
8 |
4 |
17259 |
48.1 |
1.3 |
0.928 |
1 |
2 |
0 |
0.000 |
71 |
|
[QNO]A:501 |
5 |
1 |
559 |
f |
[UMQ]A:1104 |
x,y,z |
1_555 |
4 |
1 |
785 |
46.5 |
-1.6 |
0.322 |
0 |
0 |
0 |
0.014 |
72 |
|
[CD]A:216 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17259 |
44.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.021 |
73 |
|
[HEM]A:303 |
3 |
1 |
804 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
3013 |
44.6 |
-0.6 |
0.756 |
0 |
0 |
0 |
0.002 |
74 |
|
[CD]A:216 |
1 |
1 |
112 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
13918 |
43.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.034 |
75 |
|
[HEM]A:301 |
2 |
1 |
766 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
6 |
1 |
13918 |
41.3 |
-1.3 |
0.464 |
0 |
0 |
0 |
0.012 |
76 |
|
D |
4 |
3 |
11450 |
◊ |
C |
x,x-y+1,-z+1/6 |
12_565 |
6 |
4 |
17259 |
40.3 |
-0.2 |
0.610 |
0 |
0 |
0 |
0.001 |
77 |
|
[CD]B:161 |
1 |
1 |
112 |
f |
G |
x,y,z |
1_555 |
8 |
3 |
3857 |
36.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.129 |
78 |
|
[BCR]G:101 |
4 |
1 |
977 |
◊ |
[OPC]A:1002 |
x,y,z |
1_555 |
4 |
1 |
1359 |
35.8 |
-0.4 |
0.731 |
0 |
0 |
0 |
0.001 |
79 |
|
[CD]B:161 |
1 |
1 |
112 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17259 |
34.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.025 |
80 |
|
[HEM]A:301 |
2 |
1 |
766 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13983 |
31.2 |
-0.7 |
0.571 |
0 |
0 |
0 |
0.003 |
81 |
|
[OPC]B:1001 |
4 |
1 |
1351 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
13918 |
28.5 |
0.8 |
0.957 |
1 |
0 |
0 |
0.000 |
82 |
|
F |
3 |
3 |
3188 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
13983 |
27.7 |
-0.4 |
0.739 |
0 |
0 |
0 |
0.005 |
83 |
|
[CD]B:161 |
1 |
1 |
112 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
13983 |
23.7 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.015 |
84 |
|
[UMQ]A:1104 |
1 |
1 |
785 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
11450 |
18.4 |
-0.4 |
0.575 |
0 |
0 |
0 |
0.003 |
85 |
|
[UMQ]A:1104 |
2 |
1 |
785 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
17259 |
16.9 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
86 |
|
[CD]B:161 |
1 |
1 |
112 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
3188 |
15.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.027 |
87 |
|
[HEM]A:302 |
2 |
1 |
809 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
13983 |
14.2 |
-0.5 |
0.663 |
0 |
0 |
0 |
0.002 |
88 |
|
[UMQ]A:1103 |
2 |
1 |
788 |
◊ |
A |
x,x-y+1,-z+1/6 |
12_565 |
2 |
1 |
13918 |
10.0 |
-0.9 |
0.369 |
0 |
0 |
0 |
0.008 |
89 |
|
[UMQ]A:1103 |
1 |
1 |
788 |
◊ |
C |
x-y+1,x+1,z+1/6 |
6_665 |
2 |
1 |
17259 |
9.9 |
0.1 |
0.658 |
0 |
0 |
0 |
0.000 |
90 |
|
[SQD]D:201 |
1 |
1 |
1281 |
◊ |
[QNO]A:501 |
x,y,z |
1_555 |
2 |
1 |
559 |
5.2 |
-0.1 |
0.537 |
0 |
0 |
0 |
0.000 |
91 |
|
[CLA]B:201 |
3 |
1 |
1268 |
◊ |
[HEM]A:302 |
x,y,z |
1_555 |
1 |
1 |
809 |
4.9 |
-0.2 |
0.735 |
0 |
0 |
0 |
0.000 |
92 |
|
[FES]D:200 |
1 |
1 |
237 |
◊ |
B |
x,x-y+1,-z+1/6 |
12_565 |
1 |
1 |
13983 |
4.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
93 |
|
[CD]B:161 |
1 |
1 |
112 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
13918 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
94 |
|
[BCR]G:101 |
1 |
1 |
977 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
17259 |
2.0 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
|