Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 1.50 16 0.0133 0.30 3 6.2 0.24 0 0.8654 3.80 2 1.52 13 0.0121 0.25 4 5.8 0.27 0 0.6634 3.76 3 1.56 17 0.0150 0.30 2 5.5 0.27 0 0.6771 3.77 4 1.63 12 0.0137 0.30 3 6.5 0.21 0 0.8323 4.01 5 1.72 19 0.0170 0.36 2 5.4 0.21 0 0.5673 2.48 6 1.81 19 0.0155 0.28 1 6.1 0.24 1 1.0049 7.91 7 1.94 21 0.0170 0.30 2 6.3 0.30 0 0.6588 2.88 8 1.97 22 0.0166 0.30 2 6.2 0.27 0 0.7266 3.82 9 1.98 16 0.0152 0.48 2 6.6 0.29 0 0.8951 4.17 10 2.09 20 0.0168 0.30 2 7.0 0.29 0 0.6369 3.84 11 2.18 21 0.0176 0.30 2 6.7 0.28 0 0.8421 4.25 12 2.24 19 0.0172 0.43 3 7.0 0.30 0 0.6965 3.82 13 2.28 22 0.0174 0.34 3 7.8 0.30 0 0.6769 3.85 14 2.37 23 0.0171 0.27 3 8.1 0.29 0 0.8920 4.04 15 2.38 11 0.0135 0.46 4 7.9 0.36 0 0.7200 3.78 16 2.57 21 0.0168 0.30 4 8.5 0.28 0 0.8188 4.09 17 2.58 17 0.0166 0.32 4 8.6 0.28 0 0.8613 3.95 18 2.61 18 0.0163 0.35 4 8.3 0.32 0 0.8552 4.01 19 2.69 22 0.0183 0.40 5 8.8 0.28 0 0.8927 3.81 20 2.76 25 0.0167 0.29 6 9.4 0.35 0 0.8339 3.81 Ave 2.12 19 0.0160 0.33 3 7.1 0.28 0 0.7809 3.99 +/- 0.40 4 0.0016 0.06 1 1.2 0.04 0 0.1114 0.98 Min 1.50 11 0.0121 0.25 1 5.4 0.21 0 0.5673 2.48 Max 2.76 25 0.0183 0.48 6 9.4 0.36 1 1.0049 7.91 Cut 0.10 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper HA PHE 60 - HB ILE 61 5.50 20 0.25 0.30 *+++++++++++++++++++ peak 2627 Upper QG2 ILE 61 - HA ASP 62 5.50 8 0.10 0.13 + + +* + ++ + peak 2638 Upper HG LEU 66 - HZ PHE 70 4.85 6 0.06 0.19 * + ++ + + peak 292 Upper HA LYS 67 - HD3 LYS 67 4.23 6 0.05 0.23 +++* + + peak 1234 Upper HA THR 68 - HB3 HIS 69 5.50 20 0.17 0.27 ++*+++++++++++++++++ peak 1892 Upper HA LEU 79 - HG LEU 82 4.14 7 0.11 0.30 +++ + + *+ peak 2174 Upper HA LYS 80 - QD2 LEU 82 3.53 20 0.13 0.23 +++++*++++++++++++++ peak 2528 Upper HA LEU 82 - QD2 LEU 82 3.82 7 0.08 0.24 +++ + + *+ peak 2527 Upper H GLU 93 - H ARG 94 3.73 7 0.07 0.25 + + + *++ + peak 181 Upper HB3 GLU 93 - H ARG 94 3.85 6 0.05 0.28 ++ + * + + peak 173 Upper HA PHE 260 - HB ILE 261 5.50 20 0.25 0.29 +++++++++++++++++++* peak 2627 Upper QG2 ILE 261 - HA ASP 262 5.50 9 0.09 0.13 + +*++ ++ + + peak 2638 Upper HA LYS 267 - HD3 LYS 267 4.23 7 0.07 0.25 + +* + + + + peak 1234 Upper HA THR 268 - HB3 HIS 269 5.50 20 0.16 0.22 ++++++++++*+++++++++ peak 1892 Upper HA LEU 279 - HG LEU 282 4.14 7 0.11 0.31 + ++ ++ + * peak 2174 Upper HA LYS 280 - QD2 LEU 282 3.53 20 0.13 0.15 +++*++++++++++++++++ peak 2528 Upper HA LEU 282 - QD2 LEU 282 3.82 7 0.09 0.24 + ++ ++ * + peak 2527 Upper QE TYR 287 - HB3 SER 288 4.95 6 0.06 0.23 + +* + + + peak 233 Upper H GLU 293 - H ARG 294 3.73 7 0.08 0.26 + ++ + *+ + peak 181 Upper HB3 GLU 293 - H ARG 294 3.85 7 0.07 0.28 +++ *++ + peak 173 VdW HA ASP 42 - CD PRO 43 2.60 14 0.22 0.30 ++ ++ ++++ *+++++ VdW HA ASP 242 - CD PRO 243 2.60 14 0.24 0.30 ++++ +*+ ++ + ++++ 20 violated distance constraints. 0 violated angle constraints. RMSDs for residues 50..78: Average backbone RMSD to mean : 0.87 +/- 0.67 A (0.31..2.27 A) Average heavy atom RMSD to mean : 1.42 +/- 0.67 A (0.81..2.95 A)