wet6 nea way dry5 dry6 dry8 dry1 phob deep n_ca bad_ sidech 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 ain 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 2dbbA 7.5 7.4 7.5 48.2 65.7 51.4 17.6 8.3 0.0 3.6 7.5 -19.2 -2.3 0.1 0.0 0.0 0.5 0.5 0.6 -2.9 -4.2 -6.2 -8.9 41.0 0.0 223.67 -1.0 0.0 0.0 0.0 -21.0 0.0 -21.0 -10000.0 -10000.0 41.0-20002.00 model1-scwrl 7.3 7.3 7.4 47.8 65.2 51.2 17.4 8.4 0.0 3.6 8.8 -24.5 -2.3 0.5 0.0 0.0 0.5 0.5 0.6 -2.5 -4.2 -6.2 -8.9 50.0 0.0 227.94 -0.8 0.0 0.0 1.3 0.9 0.0 -21.0 -9931.5 -9931.5 50.0-19833.94 model2-scwrl 7.3 7.3 7.4 47.8 65.2 51.2 17.4 8.4 0.0 3.6 8.8 -24.5 -2.3 0.5 0.0 0.0 0.5 0.5 0.6 -2.5 -4.2 -6.2 -8.9 50.0 0.0 227.94 -0.8 0.0 0.0 1.3 0.9 0.0 -21.0 -9931.5 -9931.5 50.0-19833.94 model3-scwrl 7.3 7.3 7.4 47.8 65.2 51.2 17.4 8.4 0.0 3.6 8.8 -24.5 -2.3 0.5 0.0 0.0 0.5 0.5 0.6 -2.5 -4.2 -6.2 -8.9 50.0 0.0 227.94 -0.8 0.0 0.0 1.3 0.9 0.0 -21.0 -9931.5 -9931.5 50.0-19833.94 model4-scwrl 7.3 7.3 7.4 47.8 65.2 51.2 17.4 8.4 0.0 3.6 8.8 -24.5 -2.3 0.5 0.0 0.0 0.5 0.5 0.6 -2.5 -4.2 -6.2 -8.9 50.0 0.0 227.94 -0.8 0.0 0.0 1.3 0.9 0.0 -21.0 -9931.5 -9931.5 50.0-19833.94 model5-scwrl 7.3 7.3 7.4 47.8 65.2 51.2 17.4 8.4 0.0 3.6 8.8 -24.5 -2.3 0.5 0.0 0.0 0.5 0.5 0.6 -2.5 -4.2 -6.2 -8.9 50.0 0.0 227.94 -0.8 0.0 0.0 1.3 0.9 0.0 -21.0 -9931.5 -9931.5 50.0-19833.94 align2 7.1 7.4 7.6 46.7 63.8 50.6 17.2 19.4 0.0 24.8 18.6 1026.8 -1.0 11.5 0.9 0.0 0.9 1.4 1.8 -1.7 -2.8 -7.1 -7.3 79.0 0.0 1365.50 -0.6 0.0 0.4 3.2 3.5 2.3 2.6 -6763.7 -6212.9 79.0-12891.69 align1 5.3 6.0 5.9 39.6 56.5 44.0 14.7 47.7 20.0 93.7 59.4 4484.5 -0.5 8.9 0.6 0.0 -0.1 -0.1 -0.1 -1.6 -2.7 -4.6 -2.0 308.0 20.0 5192.93 -0.5 10.0 0.5 3.6 3.9 2.9 3.2 -5650.7 -5282.1 308.0-10607.59 *-scwrl 8.1 8.1 7.9 46.7 60.3 49.4 17.4 -0.1 0.0 4.4 2.5 -26.7 -2.0 10.5 0.1 3.2 0.2 0.2 0.4 -2.2 -3.9 -5.3 -6.3 0.0 0.0 172.99 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3287.7 -3126.9 0.0-6398.27 T0337.try1-opt2.pdb 7.7 8.1 7.9 45.2 59.6 49.0 17.4 -0.1 0.0 4.4 2.5 -25.0 -2.0 6.1 0.1 3.2 0.2 0.2 0.4 -2.4 -3.9 -5.3 -6.3 0.0 0.0 167.11 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3287.7 -3126.9 0.0-6398.26 T0337.try1-opt1-scwrl.pd 8.0 8.1 7.9 46.5 60.1 49.2 17.4 -0.1 0.0 4.4 2.5 -22.8 -2.0 4.5 0.1 3.2 0.2 0.2 0.4 -2.3 -3.9 -5.3 -6.3 0.0 0.0 170.12 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3287.7 -3126.9 0.0-6398.26 T0337.try1-opt2.pdb.gz 7.7 8.1 7.9 45.2 59.6 49.0 17.4 -0.1 0.0 4.4 2.5 -25.0 -2.0 6.1 0.1 3.2 0.2 0.2 0.4 -2.4 -3.9 -5.3 -6.3 0.0 0.0 167.11 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3287.7 -3126.9 0.0-6398.26 T0337.try1-opt2.gromacs0 7.9 8.1 7.9 45.9 59.9 49.0 17.4 -0.0 0.0 4.4 4.9 -20.1 -1.3 1.2 0.1 1.5 1.2 1.8 2.3 -2.4 -3.8 -4.6 -5.4 0.0 0.0 175.86 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3270.6 -3128.2 0.0-6382.47 T0337.try1-opt1.pdb.gz 8.1 8.1 8.0 46.5 60.2 49.3 17.5 0.1 0.0 4.4 2.6 -23.6 -1.7 8.7 0.1 3.7 0.6 0.9 1.2 -2.3 -3.7 -4.2 -4.6 0.0 0.0 180.03 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3236.3 -3115.2 0.0-6335.16 T0337.try1-opt1-scwrl.pd 8.1 8.1 8.0 47.3 60.5 49.5 17.4 0.1 0.0 4.4 2.6 -24.6 -1.7 9.9 0.1 3.7 0.6 0.9 1.2 -2.2 -3.7 -4.2 -4.6 0.0 0.0 181.53 -0.6 0.0 0.7 15.2 8.2 14.4 8.0 -3236.3 -3115.2 0.0-6335.13 align4 5.3 6.3 6.1 38.2 51.7 43.4 15.5 51.1 20.0 52.4 57.0 2046.0 -0.8 13.4 1.1 0.0 0.2 0.1 0.2 -1.9 -3.1 -2.6 -3.0 318.0 20.0 2724.36 -0.4 10.0 0.8 20.5 9.1 20.3 9.0 -2774.0 -2612.5 318.0-5039.93 align3 4.2 4.4 4.3 27.2 37.5 30.8 10.7 56.0 0.0 36.4 92.4 2218.7 -0.4 8.4 0.6 0.0 -0.2 -0.2 -0.3 -1.9 -3.2 -3.6 -3.7 543.0 0.0 3061.05 -0.5 0.0 0.8 14.3 8.0 14.3 8.0 -2825.3 -2663.5 543.0-4929.60 align5 4.4 4.9 4.8 30.1 42.6 36.6 12.9 54.2 20.0 53.3 76.0 3261.3 -1.0 8.2 0.6 0.0 -0.4 -0.4 -0.6 -2.1 -3.4 -3.5 -2.3 434.0 20.0 4040.29 -0.5 10.0 0.8 17.4 8.6 17.1 8.5 -2739.7 -2552.0 434.0-4830.31