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The following tables show the performance of ZDOCK 3.0 with 15 degree sampling on our 176 benchmark test cases. Only the first 2000 predictions are reported here.
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 |
7 |
182 |
2.37 |
| 1BVK |
3 |
1018 |
2.38 |
| 1DQJ |
0 |
-- |
-- |
| 1E6J |
16 |
10 |
2.31 |
| 1JPS |
3 |
307 |
1.90 |
| 1MLC |
9 |
486 |
1.15 |
| 1VFB |
4 |
677 |
1.79 |
| 1WEJ |
13 |
6 |
1.02 |
| 2FD6 |
5 |
25 |
2.09 |
| 2I25 |
18 |
1 |
2.06 |
| 2VIS |
12 |
30 |
2.32 |
| 1BJ1 |
36 |
1 |
1.95 |
| 1FSK |
17 |
4 |
0.91 |
| 1I9R |
0 |
-- |
-- |
| 1IQD |
13 |
5 |
1.12 |
| 1K4C |
0 |
2337 |
1.08 |
| 1KXQ |
3 |
35 |
1.30 |
| 1NCA |
5 |
64 |
0.95 |
| 1NSN |
0 |
-- |
-- |
| 1QFW |
3 |
443 |
1.36 |
| 2QFW |
9 |
13 |
2.37 |
| 2JEL |
18 |
9 |
1.53 |
| 1AVX |
10 |
17 |
2.13 |
| 1AY7 |
3 |
1041 |
2.36 |
| 1BVN |
9 |
1 |
2.16 |
| 1CGI |
2 |
261 |
2.47 |
| 1CLV |
26 |
1 |
1.48 |
| 1D6R |
0 |
-- |
-- |
| 1DFJ |
4 |
1 |
1.93 |
| 1E6E |
8 |
6 |
1.23 |
| 1EAW |
8 |
83 |
1.31 |
| 1EWY |
6 |
56 |
1.58 |
| 1EZU |
5 |
302 |
2.03 |
| 1F34 |
2 |
68 |
2.37 |
| 1FLE |
5 |
321 |
2.32 |
| 1GL1 |
6 |
16 |
1.44 |
| 1GXD |
1 |
490 |
2.44 |
| 1HIA |
0 |
-- |
-- |
| 1JTG |
13 |
1 |
1.51 |
| 1MAH |
14 |
1 |
1.01 |
| 1N8O |
12 |
1 |
1.29 |
| 1OC0 |
0 |
-- |
-- |
| 1OPH |
0 |
-- |
-- |
| 1OYV |
8 |
1 |
2.17 |
| BOYV |
0 |
-- |
-- |
| 1PPE |
36 |
1 |
1.20 |
| 1R0R |
8 |
66 |
0.97 |
| 1TMQ |
11 |
15 |
1.74 |
| 1UDI |
4 |
39 |
1.78 |
| 1YVB |
20 |
4 |
1.99 |
| 2ABZ |
3 |
86 |
2.15 |
| 2B42 |
6 |
3 |
1.63 |
| 2J0T |
0 |
-- |
-- |
| 2MTA |
9 |
76 |
2.22 |
| 2O8V |
2 |
412 |
2.48 |
| 2OUL |
13 |
1 |
1.32 |
| 2PCC |
1 |
451 |
1.76 |
| 2SIC |
13 |
3 |
0.75 |
| 2SNI |
3 |
858 |
2.00 |
| 2UUY |
8 |
312 |
2.29 |
| 3SGQ |
5 |
294 |
1.94 |
| 7CEI |
21 |
1 |
2.31 |
| 1A2K |
0 |
2507 |
1.96 |
| 1AK4 |
0 |
-- |
-- |
| 1AKJ |
3 |
145 |
1.86 |
| 1AZS |
26 |
3 |
1.32 |
| 1B6C |
3 |
60 |
2.13 |
| 1BUH |
9 |
9 |
2.37 |
| 1E96 |
1 |
588 |
2.13 |
| 1EFN |
0 |
2950 |
2.41 |
| 1F51 |
8 |
1 |
1.84 |
| 1FC2 |
0 |
-- |
-- |
| 1FCC |
0 |
-- |
-- |
| 1FFW |
0 |
2502 |
2.15 |
| 1FQJ |
0 |
-- |
-- |
| 1GCQ |
1 |
1169 |
1.05 |
| 1GHQ |
0 |
-- |
-- |
| 1GLA |
0 |
-- |
-- |
| 1GPW |
2 |
537 |
2.44 |
| 1H9D |
4 |
163 |
1.94 |
| 1HCF |
3 |
501 |
1.82 |
| 1HE1 |
1 |
440 |
1.86 |
| 1I4D |
4 |
693 |
1.88 |
| 1J2J |
3 |
141 |
1.90 |
| 1JWH |
8 |
1 |
2.19 |
| 1K74 |
5 |
1 |
2.43 |
| 1KAC |
2 |
624 |
2.46 |
| 1KLU |
1 |
1876 |
1.08 |
| 1KTZ |
0 |
2668 |
0.64 |
| 1KXP |
4 |
1 |
2.28 |
| 1ML0 |
8 |
13 |
1.65 |
| 1OFU |
9 |
188 |
2.44 |
| 1PVH |
6 |
1025 |
2.34 |
| 1QA9 |
0 |
-- |
-- |
| 1RLB |
27 |
1 |
2.38 |
| 1RV6 |
15 |
3 |
1.53 |
| 1S1Q |
2 |
1084 |
2.39 |
| 1SBB |
1 |
1542 |
1.94 |
| 1T6B |
2 |
309 |
1.91 |
| 1US7 |
2 |
255 |
2.38 |
| 1WDW |
9 |
2 |
2.46 |
| 1XD3 |
12 |
15 |
2.42 |
| 1XU1 |
15 |
100 |
2.30 |
| 1Z0K |
4 |
20 |
1.63 |
| 1Z5Y |
7 |
86 |
1.98 |
| 1ZHH |
0 |
-- |
-- |
| 1ZHI |
10 |
67 |
1.90 |
| 2A5T |
0 |
-- |
-- |
| 2A9K |
0 |
-- |
-- |
| 2AJF |
0 |
-- |
-- |
| 2AYO |
5 |
22 |
2.03 |
| 2B4J |
0 |
-- |
-- |
| 2BTF |
6 |
65 |
1.06 |
| 2FJU |
3 |
77 |
1.46 |
| 2G77 |
6 |
30 |
1.94 |
| 2HLE |
3 |
91 |
2.32 |
| 2HQS |
1 |
1701 |
2.19 |
| 2OOB |
0 |
-- |
-- |
| 2OOR |
0 |
-- |
-- |
| 2VDB |
5 |
23 |
1.32 |
| 3BP8 |
3 |
276 |
1.51 |
| 3D5S |
7 |
56 |
1.95 |
| 4CPA |
52 |
1 |
1.18 |
- Medium Cases (29)
| Test case |
Hit count |
Best rank |
Rmsd |
| 1BGX |
0 |
-- |
-- |
| 1ACB |
0 |
-- |
-- |
| 1IJK |
3 |
458 |
1.77 |
| 1JIW |
0 |
-- |
-- |
| 1KKL |
0 |
-- |
-- |
| 1M10 |
0 |
-- |
-- |
| 1NW9 |
0 |
-- |
-- |
| 1GP2 |
0 |
-- |
-- |
| 1GRN |
3 |
715 |
1.95 |
| 1HE8 |
0 |
-- |
-- |
| 1I2M |
1 |
219 |
2.39 |
| 1IB1 |
0 |
-- |
-- |
| 1K5D |
1 |
1287 |
2.13 |
| 1LFD |
4 |
376 |
2.30 |
| 1MQ8 |
0 |
-- |
-- |
| 1N2C |
0 |
-- |
-- |
| 1R6Q |
1 |
989 |
2.45 |
| 1SYX |
0 |
-- |
-- |
| 1WQ1 |
1 |
2 |
2.30 |
| 1XQS |
3 |
44 |
2.09 |
| 1ZM4 |
1 |
1111 |
2.43 |
| 2CFH |
7 |
2 |
2.21 |
| 2H7V |
4 |
80 |
2.38 |
| 2HRK |
1 |
232 |
2.49 |
| 2J7P |
0 |
-- |
-- |
| 2NZ8 |
1 |
601 |
2.31 |
| 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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