Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 2.64 12 0.0180 0.44 5 8.2 0.30 0 0.9079 4.70 2 2.94 15 0.0198 0.49 6 8.3 0.30 0 0.7711 4.76 3 3.05 19 0.0210 0.50 6 8.2 0.29 0 0.7666 4.99 4 3.09 19 0.0233 0.56 3 7.7 0.30 1 0.8663 6.98 5 3.66 16 0.0262 0.67 5 7.8 0.30 4 1.0186 5.92 6 3.75 24 0.0237 0.56 4 10.2 0.30 1 0.9221 6.57 7 3.89 9 0.0143 0.45 8 10.6 0.44 3 1.7056 19.33 8 3.96 15 0.0165 0.41 9 10.0 0.44 1 1.6623 20.61 9 4.04 25 0.0219 0.48 10 10.9 0.35 2 1.0587 6.12 10 4.09 20 0.0222 0.45 7 11.1 0.30 1 1.1351 8.61 11 4.32 21 0.0242 0.61 8 10.5 0.39 1 0.9777 7.22 12 4.37 28 0.0217 0.43 8 12.2 0.33 2 1.2287 6.05 13 4.41 21 0.0211 0.48 9 12.6 0.33 0 0.9143 4.91 14 4.49 17 0.0212 0.49 10 11.3 0.41 2 0.9654 6.31 15 4.53 20 0.0186 0.34 12 12.7 0.36 1 1.0657 6.82 16 4.56 24 0.0191 0.46 8 13.0 0.32 3 1.6336 17.26 17 4.93 25 0.0271 0.70 8 11.6 0.30 4 1.2606 5.91 18 4.99 30 0.0247 0.55 8 13.0 0.43 2 1.2109 6.54 19 5.00 34 0.0268 0.48 7 12.7 0.33 4 1.2931 7.10 20 5.03 24 0.0251 0.47 8 12.5 0.42 2 1.1528 6.29 Ave 4.09 21 0.0218 0.50 7 10.8 0.35 2 1.1259 8.15 +/- 0.70 6 0.0034 0.08 2 1.8 0.05 1 0.2711 4.71 Min 2.64 9 0.0143 0.34 3 7.7 0.29 0 0.7666 4.70 Max 5.03 34 0.0271 0.70 12 13.0 0.44 4 1.7056 20.61 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper H MET 35 - QD2 LEU 36 4.45 8 0.07 0.25 + + + * +++ + peak 1019 Upper HG LEU 36 - H ARG 38 4.19 9 0.13 0.37 + + + ++ *++ + peak 597 Upper HB2 LEU 47 - HB VAL 71 5.48 6 0.06 0.28 + + * + + + peak 2440 Upper HB3 LEU 47 - HG13 ILE 102 5.50 10 0.11 0.19 + + +++ * + + ++ peak 1519 Upper QE PHE 50 - HG12 ILE 63 5.50 8 0.09 0.19 + + + +* +++ peak 252 Upper QD PHE 53 - H CYS 62 5.50 6 0.06 0.25 + +* ++ + peak 927 Upper HA ILE 63 - QG2 VAL 64 4.79 6 0.05 0.25 + ++ + *+ peak 361 Upper HB VAL 103 - H MET 111 4.10 17 0.24 0.70 ++++++ +++++++ *+++ peak 269 Upper H ARG 104 - HG2 ARG 104 4.36 19 0.16 0.21 +++++++++++*++ +++++ peak 7 Upper H ARG 104 - HG3 ARG 104 4.00 20 0.35 0.42 +++++++++++++*++++++ peak 2 Upper H ARG 104 - H SER 108 4.77 10 0.10 0.28 + + * ++++ + ++ peak 615 Upper H ARG 104 - H GLU 109 4.65 16 0.12 0.25 ++++++ +*++++ ++++ peak 251 Upper HB2 ARG 104 - H SER 108 4.23 16 0.38 0.56 ++++*+ ++++++ ++++ peak 610 Upper HB3 ARG 104 - H GLU 105 3.66 18 0.19 0.30 +++++++ +++*++ +++++ peak 1233 Upper HB3 ARG 104 - H ASP 106 4.44 16 0.27 0.38 ++++++ +++*++ ++++ peak 447 Upper H ASN 107 - H SER 108 3.23 16 0.16 0.27 ++++++ ++++++ *+++ peak 424 Upper HA LYS 154 - HG3 LYS 154 3.47 6 0.06 0.24 ++++* + peak 1194 Upper HB3 LYS 154 - H LYS 155 3.20 6 0.16 0.65 ++*++ + peak 370 VdW HA THR 39 - CD PRO 40 2.60 20 0.30 0.30 ++++*+++++++++++++++ VdW CG2 ILE 42 - CD1 ILE 42 3.00 8 0.11 0.25 + + +* + +++ VdW CG2 ILE 63 - C ILE 63 2.90 7 0.15 0.25 + + + +* + + VdW CG1 VAL 64 - C VAL 64 2.90 6 0.10 0.33 * ++ + ++ VdW CG1 ILE 102 - C ILE 102 2.90 20 0.23 0.26 +++++++*++++++++++++ VdW CG2 ILE 119 - C ILE 119 2.90 14 0.22 0.27 +* +++ ++++++ +++ Angle PSI LEU 47 94.00 144.00 12 5.46 7.22 ++++ + *+ + ++++ 18 violated distance constraints. 1 violated angle constraint. RMSDs for residues 18..164: Average backbone RMSD to mean : 8.00 +/- 2.51 A (4.11..12.45 A) Average heavy atom RMSD to mean : 8.22 +/- 2.41 A (4.47..12.60 A)