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The following tables show the performance of ZDOCK 3.0 with 6 degree sampling on our 176 benchmark test cases. Only the first 2000 predi$
Hits are defined as docked structures with
interface C-alpha RMSD less than 2.5 Angstroms from the crystal complex.
All starting structures are randomly rotated before running on ZDOCK.
- Rigid Cases (123)
| Test case |
Hit count |
Best rank |
Rmsd |
| 1AHW |
1 |
925 |
2.40 |
| 1BVK |
1 |
1630 |
1.69 |
| 1DQJ |
0 |
6823 |
1.91 |
| 1E6J |
75 |
9 |
2.18 |
| 1JPS |
0 |
4124 |
2.00 |
| 1MLC |
8 |
279 |
1.20 |
| 1VFB |
0 |
2783 |
1.70 |
| 1WEJ |
17 |
120 |
0.88 |
| 2FD6 |
49 |
12 |
1.48 |
| 2I25 |
167 |
3 |
1.93 |
| 2VIS |
6 |
731 |
2.38 |
| 1BJ1 |
246 |
1 |
1.07 |
| 1FSK |
108 |
1 |
0.69 |
| 1I9R |
9 |
52 |
2.46 |
| 1IQD |
116 |
2 |
1.13 |
| 1K4C |
0 |
17427 |
1.36 |
| 1KXQ |
36 |
12 |
0.86 |
| 1NCA |
5 |
984 |
1.18 |
| 1NSN |
0 |
4402 |
1.86 |
| 1QFW |
0 |
2205 |
1.05 |
| 2QFW |
81 |
18 |
2.25 |
| 2JEL |
67 |
80 |
1.73 |
| 1AVX |
51 |
72 |
2.15 |
| 1AY7 |
0 |
4324 |
1.93 |
| 1BVN |
119 |
1 |
1.72 |
| 1CGI |
26 |
130 |
2.17 |
| 1CLV |
179 |
1 |
1.58 |
| 1D6R |
0 |
-- |
-- |
| 1DFJ |
82 |
1 |
1.81 |
| 1E6E |
64 |
21 |
1.78 |
| 1EAW |
16 |
286 |
1.49 |
| 1EWY |
34 |
30 |
2.10 |
| 1EZU |
2 |
811 |
1.92 |
| 1F34 |
6 |
195 |
2.49 |
| 1FLE |
0 |
2893 |
1.98 |
| 1GL1 |
6 |
63 |
1.52 |
| 1GXD |
4 |
448 |
2.23 |
| 1HIA |
0 |
-- |
-- |
| 1JTG |
131 |
1 |
1.24 |
| 1MAH |
87 |
1 |
1.00 |
| 1N8O |
83 |
1 |
1.48 |
| 1OC0 |
1 |
1414 |
2.41 |
| 1OPH |
0 |
-- |
-- |
| 1OYV |
54 |
3 |
1.37 |
| BOYV |
0 |
-- |
-- |
| 1PPE |
329 |
1 |
0.75 |
| 1R0R |
6 |
294 |
1.39 |
| 1TMQ |
69 |
49 |
1.83 |
| 1UDI |
14 |
32 |
1.76 |
| 1YVB |
163 |
4 |
1.21 |
| 2ABZ |
2 |
1089 |
2.36 |
| 2B42 |
62 |
1 |
1.11 |
| 2J0T |
0 |
25959 |
2.37 |
| 2MTA |
3 |
833 |
1.83 |
| 2O8V |
0 |
4126 |
2.47 |
| 2OUL |
169 |
1 |
1.16 |
| 2PCC |
0 |
6374 |
1.72 |
| 2SIC |
109 |
6 |
2.36 |
| 2SNI |
0 |
2217 |
1.71 |
| 2UUY |
0 |
3587 |
2.25 |
| 3SGQ |
5 |
874 |
1.96 |
| 7CEI |
144 |
1 |
2.50 |
| 1A2K |
0 |
10261 |
1.78 |
| 1AK4 |
0 |
25753 |
2.23 |
| 1AKJ |
0 |
2098 |
1.70 |
| 1AZS |
189 |
3 |
1.80 |
| 1B6C |
32 |
1 |
2.49 |
| 1BUH |
48 |
83 |
1.59 |
| 1E96 |
2 |
575 |
2.01 |
| 1EFN |
0 |
14770 |
2.15 |
| 1F51 |
48 |
1 |
1.58 |
| 1FC2 |
0 |
-- |
-- |
| 1FCC |
0 |
47392 |
2.26 |
| 1FFW |
0 |
19055 |
2.47 |
| 1FQJ |
0 |
29105 |
2.45 |
| 1GCQ |
0 |
15631 |
1.06 |
| 1GHQ |
0 |
-- |
-- |
| 1GLA |
0 |
13917 |
2.45 |
| 1GPW |
11 |
16 |
2.35 |
| 1H9D |
1 |
1018 |
2.21 |
| 1HCF |
10 |
15 |
2.39 |
| 1HE1 |
1 |
1626 |
2.09 |
| 1I4D |
5 |
946 |
1.80 |
| 1J2J |
10 |
112 |
2.26 |
| 1JWH |
80 |
8 |
1.95 |
| 1K74 |
53 |
1 |
2.28 |
| 1KAC |
0 |
4863 |
2.27 |
| 1KLU |
0 |
10714 |
1.24 |
| 1KTZ |
0 |
9879 |
2.48 |
| 1KXP |
54 |
1 |
2.26 |
| 1ML0 |
85 |
1 |
1.89 |
| 1OFU |
11 |
746 |
1.84 |
| 1PVH |
0 |
6706 |
1.76 |
| 1QA9 |
0 |
36143 |
1.99 |
| 1RLB |
171 |
1 |
1.87 |
| 1RV6 |
108 |
1 |
1.67 |
| 1S1Q |
0 |
2122 |
1.57 |
| 1SBB |
0 |
14252 |
0.92 |
| 1T6B |
19 |
183 |
2.46 |
| 1US7 |
0 |
2279 |
2.19 |
| 1WDW |
88 |
3 |
1.44 |
| 1XD3 |
72 |
9 |
2.42 |
| 1XU1 |
43 |
121 |
2.35 |
| 1Z0K |
45 |
1 |
2.13 |
| 1Z5Y |
30 |
128 |
2.31 |
| 1ZHH |
0 |
-- |
-- |
| 1ZHI |
35 |
244 |
1.63 |
| 2A5T |
0 |
-- |
-- |
| 2A9K |
0 |
13845 |
1.72 |
| 2AJF |
0 |
2436 |
2.32 |
| 2AYO |
18 |
86 |
1.92 |
| 2B4J |
0 |
-- |
-- |
| 2BTF |
10 |
693 |
1.39 |
| 2FJU |
5 |
883 |
1.76 |
| 2G77 |
41 |
42 |
1.58 |
| 2HLE |
14 |
129 |
2.33 |
| 2HQS |
0 |
16314 |
2.04 |
| 2OOB |
0 |
24049 |
2.45 |
| 2OOR |
0 |
6668 |
2.35 |
| 2VDB |
17 |
100 |
0.70 |
| 3BP8 |
1 |
1974 |
2.42 |
| 3D5S |
35 |
135 |
1.43 |
| 4CPA |
302 |
1 |
1.31 |
- Medium Cases (29)
| Test case |
Hit count |
Best rank |
Rmsd |
| 1BGX |
0 |
-- |
-- |
| 1ACB |
0 |
-- |
-- |
| 1IJK |
2 |
896 |
1.71 |
| 1JIW |
0 |
-- |
-- |
| 1KKL |
0 |
39055 |
2.42 |
| 1M10 |
0 |
-- |
-- |
| 1NW9 |
0 |
-- |
-- |
| 1GP2 |
6 |
140 |
2.43 |
| 1GRN |
0 |
4155 |
1.99 |
| 1HE8 |
0 |
-- |
-- |
| 1I2M |
3 |
684 |
2.45 |
| 1IB1 |
0 |
-- |
-- |
| 1K5D |
7 |
69 |
2.10 |
| 1LFD |
3 |
776 |
2.43 |
| 1MQ8 |
0 |
27778 |
2.47 |
| 1N2C |
0 |
-- |
-- |
| 1R6Q |
0 |
7021 |
2.32 |
| 1SYX |
3 |
367 |
2.46 |
| 1WQ1 |
11 |
68 |
1.86 |
| 1XQS |
21 |
25 |
2.35 |
| 1ZM4 |
1 |
1492 |
2.45 |
| 2CFH |
86 |
1 |
2.15 |
| 2H7V |
27 |
47 |
2.47 |
| 2HRK |
3 |
928 |
2.48 |
| 2J7P |
0 |
-- |
-- |
| 2NZ8 |
2 |
342 |
2.43 |
| 2OZA |
0 |
-- |
-- |
| 2Z0E |
0 |
-- |
-- |
| 3CPH |
0 |
-- |
-- |
- Difficult Cases (24)
| Test case |
Hit count |
Best rank |
Rmsd |
| 1E4K |
0 |
-- |
-- |
| 2HMI |
0 |
-- |
-- |
| 1F6M |
0 |
-- |
-- |
| 1FQ1 |
0 |
-- |
-- |
| 1PXV |
0 |
-- |
-- |
| 1ZLI |
0 |
-- |
-- |
| 2O3B |
0 |
-- |
-- |
| 1ATN |
0 |
-- |
-- |
| 1BKD |
0 |
-- |
-- |
| 1DE4 |
0 |
-- |
-- |
| 1EER |
0 |
-- |
-- |
| 1FAK |
0 |
-- |
-- |
| 1H1V |
0 |
-- |
-- |
| 1IBR |
0 |
-- |
-- |
| 1IRA |
0 |
-- |
-- |
| 1JK9 |
0 |
-- |
-- |
| 1JMO |
0 |
-- |
-- |
| 1JZD |
0 |
-- |
-- |
| 1R8S |
0 |
-- |
-- |
| 1Y64 |
0 |
-- |
-- |
| 2C0L |
0 |
-- |
-- |
| 2I9B |
0 |
-- |
-- |
| 2IDO |
0 |
-- |
-- |
| 2OT3 |
0 |
-- |
-- |
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