wet6 nea way dry5 dry6 dry8 dry1 phob deep n_ca bad_ sidec byst soft bac brea pred pred pred hbon hbon hbon hbond missi deep cost real knot cle rmsd log_r rmsd log_r GDT smooth_G missi real_co .5 r_b _ba .5 2 ic_f _kno _c pept hain roff _cla kbo k _alp _alp _alp d_ge d_ge d_ge _geom ng_at _kno _hbo ns msd _ca msd_c DT ng_at st ack ck it t ide shes ne_ ha2k ha04 ha06 om om_b om_b _beta oms t nd a oms bon cla ackb eta _pair e she one s WEIGHTS--> 15.0 5.0 5.0 15.0 20.0 15.0 5.0 2.0 20.0 10.0 20.0 5.0 8.0 20.0 2.0 50.0 3.0 4.0 5.0 5.0 10.0 50.0 100.0 1.0 20.0 1.0 10.0 1.0 0.0 3.0 0.0 3.0 100.0 100.0 1.0 2db0A 7.5 7.5 7.6 42.2 55.8 44.4 16.1 11.8 0.0 4.1 16.6 -12.6 -0.6 0.6 0.2 0.0 -0.0 0.4 0.7 -3.4 -4.6 -0.1 0.0 110.0 0.0 304.39 -1.0 0.0 0.0 0.0 -21.0 0.0 -21.0 -10000.0 -10000.0 110.0-19933.00 model2-scwrl 7.3 7.4 7.5 41.6 55.4 44.0 16.0 11.9 0.0 4.1 18.1 -22.5 -0.6 1.7 0.2 1.8 0.0 0.4 0.7 -3.0 -4.5 -0.1 0.0 126.0 0.0 313.64 -0.8 0.0 0.0 1.2 0.6 0.0 -21.0 -9916.3 -9916.3 126.0-19727.80 model3-scwrl 7.3 7.4 7.5 41.6 55.4 44.0 16.0 11.9 0.0 4.1 18.1 -22.5 -0.6 1.7 0.2 1.8 0.0 0.4 0.7 -3.0 -4.5 -0.1 0.0 126.0 0.0 313.64 -0.8 0.0 0.0 1.2 0.6 0.0 -21.0 -9916.3 -9916.3 126.0-19727.80 model4-scwrl 7.3 7.4 7.5 41.6 55.4 44.0 16.0 11.9 0.0 4.1 18.1 -22.5 -0.6 1.7 0.2 1.8 0.0 0.4 0.7 -3.0 -4.5 -0.1 0.0 126.0 0.0 313.64 -0.8 0.0 0.0 1.2 0.6 0.0 -21.0 -9916.3 -9916.3 126.0-19727.80 model5-scwrl 7.3 7.4 7.5 41.6 55.4 44.0 16.0 11.9 0.0 4.1 18.1 -22.5 -0.6 1.7 0.2 1.8 0.0 0.4 0.7 -3.0 -4.5 -0.1 0.0 126.0 0.0 313.64 -0.8 0.0 0.0 1.2 0.6 0.0 -21.0 -9916.3 -9916.3 126.0-19727.80 model1-scwrl 7.3 7.4 7.5 41.6 55.5 44.0 16.0 11.9 0.0 4.1 18.1 -22.6 -0.6 1.7 0.2 1.8 0.0 0.4 0.7 -3.0 -4.5 -0.1 0.0 126.0 0.0 313.61 -0.8 0.0 0.0 1.2 0.6 0.0 -21.0 -9916.3 -9916.3 126.0-19727.78 align4 7.1 7.5 7.4 42.6 56.8 44.8 15.2 18.3 0.0 10.2 27.6 134.7 -0.4 9.9 0.0 0.0 -0.1 1.2 1.6 -2.8 -4.5 -0.0 0.0 255.0 0.0 632.24 -0.5 0.0 0.7 12.5 7.6 11.7 7.4 -2594.1 -2474.2 255.0-4798.14 align3 6.9 7.4 7.3 42.1 56.2 44.6 15.4 18.2 0.0 13.8 27.1 143.9 -0.4 7.1 0.0 0.0 0.1 1.4 2.0 -2.5 -4.0 0.0 0.0 244.0 0.0 630.72 -0.5 0.0 0.7 12.8 7.7 12.1 7.5 -2500.0 -2391.1 244.0-4631.68 align5 7.0 7.4 7.5 40.8 56.3 45.1 15.3 18.2 0.0 7.8 27.6 32.2 -0.0 9.8 0.0 0.0 -0.1 1.1 1.5 -2.6 -4.3 0.0 0.0 251.0 0.0 521.58 -0.5 0.0 0.7 12.7 7.6 12.0 7.4 -2500.0 -2390.3 251.0-4624.01 T0336.try1-opt1-scwrl.pd 7.9 8.0 8.3 43.4 59.1 53.3 18.5 4.5 0.0 1.9 1.5 -30.6 -0.5 1.5 0.0 1.5 -0.7 -0.4 -0.4 -3.1 -5.4 -0.2 0.0 0.0 0.0 168.11 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1547.9 0.0-3140.97 *-scwrl 7.8 8.0 8.3 43.7 59.0 53.2 18.6 4.4 0.0 1.9 1.5 -32.2 -0.5 3.4 0.0 1.5 -0.7 -0.4 -0.4 -3.1 -5.4 -0.2 0.0 0.0 0.0 168.50 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1547.9 0.0-3140.96 T0336.try1-opt2.pdb 7.5 8.0 8.3 42.6 58.4 52.6 18.5 4.4 0.0 1.9 1.5 -31.2 -0.5 2.5 0.0 1.5 -0.7 -0.4 -0.4 -3.2 -5.4 -0.2 0.0 0.0 0.0 165.60 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1547.9 0.0-3140.96 T0336.try1-opt2.pdb.gz 7.5 8.0 8.3 42.6 58.4 52.6 18.5 4.4 0.0 1.9 1.5 -31.2 -0.5 2.5 0.0 1.5 -0.7 -0.4 -0.4 -3.2 -5.4 -0.2 0.0 0.0 0.0 165.60 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1547.9 0.0-3140.96 T0336.try1-opt1.pdb.gz 7.7 8.1 8.4 43.7 59.4 53.1 18.5 4.4 0.0 1.9 1.5 -30.0 -0.4 3.8 0.0 1.3 -0.4 0.1 0.2 -3.1 -5.3 -0.2 0.0 0.0 0.0 172.53 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1544.8 0.0-3137.83 T0336.try1-opt1-scwrl.pd 7.8 8.1 8.4 43.9 59.7 53.2 18.6 4.4 0.0 1.9 1.5 -30.3 -0.4 4.0 0.0 1.3 -0.4 0.1 0.2 -3.1 -5.3 -0.2 0.0 0.0 0.0 173.37 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1610.9 -1544.8 0.0-3137.82 T0336.try1-opt2.gromacs0 7.5 8.1 8.4 42.8 58.7 52.6 18.5 4.4 0.0 1.3 3.8 -26.5 -0.4 0.5 0.0 0.8 0.1 0.7 1.1 -3.2 -5.4 -0.1 0.0 0.0 0.0 173.97 -0.5 0.0 0.9 18.7 8.8 18.3 8.7 -1569.0 -1534.0 0.0-3085.17 align1 7.3 7.6 7.7 44.7 61.2 49.0 17.0 11.6 20.0 48.1 27.8 392.0 0.4 16.8 0.8 0.0 0.9 0.8 0.6 -2.5 -3.9 -0.9 0.0 177.0 20.0 894.05 -0.3 10.0 0.9 13.6 7.8 13.0 7.7 -1516.7 -1532.6 177.0-2846.29 align2 7.4 7.9 7.8 45.2 62.5 51.0 17.6 12.2 0.0 33.3 24.6 221.1 0.1 16.7 1.1 0.0 1.2 1.1 0.6 -2.2 -3.2 -1.2 0.0 157.0 0.0 661.67 -0.2 0.0 0.9 14.2 8.0 13.8 7.9 -1370.3 -1362.7 157.0-2559.59