___________________________________________________________________ CYANA 1.0.6 (pgi) Copyright (c) 2002 Peter Guntert Contains CANDID, copyright (c) 2002 Peter Guntert, Torsten Herrmann All rights reserved. ___________________________________________________________________ cyana> - at3g01050_viol: read lib /usr/local/lib/cyana/lib/cyana.lib Library file "/usr/local/lib/cyana/lib/cyana.lib" read, 50 residue types. - at3g01050_viol: read seq ./at3g01050.seq Sequence file "./at3g01050.seq" read, 99 residues. - at3g01050_viol: read prot ./at3g01050.prot Chemical shift list "./at3g01050.prot" read, 992 chemical shifts. - at3g01050_viol: read upl at3g01050.upl Distance constraint file "at3g01050.upl" read, 789 upper limits, 789 assignments. - at3g01050_viol: read aco at3g01050.aco Angle constraint file "at3g01050.aco" read, 112 constraints for 112 angles. - at3g01050_viol: distance stat Residue intra short med long Total 199 289 78 223 - at3g01050_viol: distance check Distance constraint Score Upper HA VAL 73 - HN VAL 94 10.50 Upper HA VAL 73 - HA VAL 94 10.50 Upper HA LEU 43 - HB ILE 68 8.00 Upper HA GLU- 18 - HG LEU 74 5.00 Upper HA ASN 89 - HD3 PRO 104 9.50 Upper HB2 PHE 21 - HB ILE 29 13.50 Upper HA ASN 89 - HB3 PRO 104 9.50 Upper HB3 GLU- 18 - HG LEU 74 5.00 Upper HA ASN 89 - HG2 PRO 104 9.50 Upper HA ASN 89 - HG3 PRO 104 9.50 Upper HB2 GLU- 18 - HG LEU 74 5.00 Upper HG LEU 74 - HB ILE 100 5.25 Upper HB2 LYS+ 20 - HB2 ASP- 28 11.75 Upper HG2 LYS+ 20 - HB2 ASP- 28 11.75 Upper HB2 LYS+ 20 - HB3 ASP- 28 11.75 Upper HG2 LYS+ 20 - HB3 ASP- 28 11.75 Upper HG3 GLU- 18 - HG LEU 74 5.00 Upper HB3 ARG+ 22 - HB2 HIS+ 98 9.25 Upper HG3 ARG+ 22 - HB2 HIS+ 98 9.25 Upper HB3 ARG+ 22 - HB3 HIS+ 98 9.25 Upper HG3 ARG+ 22 - HB3 HIS+ 98 9.25 Upper HA ASN 89 - HB2 PRO 104 9.50 Upper HG2 GLU- 18 - HG LEU 74 5.00 Upper HB3 PHE 21 - HB ILE 29 13.50 Upper HA ASN 89 - HD2 PRO 104 9.50 Upper QD1 LEU 74 - QD TYR 83 5.00 Upper HG2 GLU- 56 - QG2 VAL 62 4.00 Upper HN ARG+ 84 - QB ALA 103 0.00 Upper HA ASN 89 - QB ALA 103 6.50 Upper QD1 LEU 43 - HB2 LEU 67 12.50 Upper QD1 LEU 43 - QD1 LEU 67 12.50 Upper QD PHE 34 - QG2 THR 38 2.00 Upper HA VAL 73 - QG1 VAL 94 10.50 Upper HN LEU 17 - QB ALA 33 2.00 Upper HB3 GLN 16 - QB ALA 33 3.50 Upper HA LYS+ 81 - QB ALA 103 2.25 Upper HA GLU- 75 - QG2 ILE 101 6.00 Upper QD PHE 21 - QG2 ILE 29 13.50 Upper QD1 ILE 29 - HE3 TRP 51 3.50 Upper HA LEU 23 - QD1 ILE 29 4.00 Upper QD1 ILE 19 - QE PHE 34 3.00 Upper QD1 ILE 48 - HN VAL 62 7.50 Upper QD1 ILE 48 - HN THR 61 5.25 Upper QD1 ILE 48 - HA THR 61 5.25 Upper QD1 ILE 48 - HB VAL 62 7.50 Upper HG3 GLU- 56 - QG2 VAL 62 4.00 Upper HB3 LYS+ 72 - QG1 VAL 94 9.50 Upper HB3 LYS+ 72 - QG2 VAL 94 9.50 Upper HB3 GLU- 18 - QG1 VAL 94 9.50 Upper HB2 GLN 16 - QB ALA 33 3.50 Upper QD2 LEU 43 - QD2 LEU 67 12.50 Upper QG2 ILE 48 - HA VAL 62 7.50 Upper QD1 ILE 48 - HA VAL 62 7.50 Upper QD1 ILE 19 - HB THR 95 3.50 Upper QD2 LEU 43 - HB3 LEU 67 12.50 Upper QD1 LEU 23 - HA1 GLY 58 4.00 Upper QD1 LEU 23 - HZ3 TRP 51 10.00 Upper QD1 LEU 23 - HZ2 TRP 51 10.00 Upper QD2 LEU 23 - HA1 GLY 58 4.00 Upper QD2 LEU 23 - HZ2 TRP 51 10.00 Upper QD2 LEU 23 - HH2 TRP 51 10.00 Upper QD2 LEU 23 - HZ3 TRP 51 10.00 Upper HG2 GLU- 18 - QG1 VAL 94 9.50 Upper HG2 GLU- 18 - QG2 VAL 94 9.50 Upper QD1 ILE 29 - HH2 TRP 51 3.50 Upper QD PHE 21 - QD1 ILE 29 13.50 Upper QD1 ILE 29 - HZ3 TRP 51 3.50 Upper QG2 THR 38 - HN LEU 43 2.50 Upper QG2 THR 38 - HN ALA 42 2.50 Upper HN LYS+ 81 - QB ALA 103 2.25 Upper HB VAL 80 - QB ALA 103 2.50 Upper HB2 GLU- 18 - QG1 VAL 94 9.50 Upper HB2 GLU- 18 - QG2 VAL 94 9.50 Upper HA VAL 73 - QG2 VAL 94 10.50 Upper QD1 LEU 74 - QE TYR 83 5.00 Upper HN ALA 70 - HA MET 97 0.25 Upper HN LYS+ 66 - HN ILE 100 0.50 Upper HA VAL 65 - HN GLN 102 0.00 Upper HA ASN 89 - HN ALA 103 6.50 Upper HA PHE 21 - HN MET 97 3.00 Upper HN LEU 17 - HA SER 88 2.50 Upper HN PHE 21 - HN ILE 29 13.50 Upper HN ILE 68 - HN HIS+ 98 1.00 Upper HA ASN 89 - HN VAL 105 6.00 Upper HN SER 85 - HA ASN 89 1.25 Upper HN VAL 80 - HA ALA 103 2.50 Upper HA LEU 67 - HN ILE 100 0.50 Upper HN LYS+ 20 - HN MET 97 2.00 Upper HA SER 69 - HN HIS+ 98 1.00 Upper HN ARG+ 22 - HN THR 95 0.00 Upper HN LEU 23 - HN SER 27 0.50 Upper HN LEU 23 - HA ASP- 28 2.75 Upper HA ARG+ 22 - HN ILE 29 8.00 Upper HN LYS+ 78 - QE TYR 83 1.75 Upper HN THR 39 - HG LEU 43 2.75 Upper HN PHE 21 - HB ILE 29 13.50 Upper QD PHE 21 - HB ILE 29 13.50 Upper HG LEU 23 - HH2 TRP 51 10.00 Upper QD1 ILE 19 - QD PHE 34 3.00 Upper QE PHE 34 - QG2 THR 38 2.00 Upper HZ PHE 34 - QG2 THR 46 1.00 Upper QD1 LEU 23 - HH2 TRP 51 10.00 Upper QD2 LEU 74 - QE TYR 83 5.00 Upper QD2 LEU 74 - QD TYR 83 5.00 Upper QG2 ILE 19 - QE PHE 34 3.00 Upper QG2 ILE 19 - QD PHE 34 3.00 Upper QE PHE 34 - QG2 THR 46 1.00 Upper QB GLN 16 - HN ALA 33 3.50 Upper QB GLN 16 - QB ALA 33 3.50 Upper QB LEU 17 - HA SER 88 2.50 Upper QQD LEU 17 - QB SER 88 2.50 Upper QQD LEU 17 - HA ASN 89 1.50 Upper QB GLU- 18 - QQG VAL 94 9.50 Upper HB3 GLU- 18 - QG2 VAL 94 9.50 Upper QG GLU- 18 - HG LEU 74 5.00 Upper QG GLU- 18 - QQG VAL 94 9.50 Upper HG3 GLU- 18 - QG1 VAL 94 9.50 Upper HG3 GLU- 18 - QG2 VAL 94 9.50 Upper QG GLU- 18 - QB GLN 102 0.00 Upper HB ILE 19 - QG MET 97 2.50 Upper QG1 ILE 19 - HA ILE 68 2.00 Upper QG1 ILE 19 - QG1 ILE 68 2.00 Upper QG1 ILE 19 - QD1 ILE 68 2.00 Upper QG1 ILE 19 - HB THR 95 3.50 Upper QG1 ILE 19 - QB MET 97 2.50 Upper QD1 ILE 19 - QB PRO 31 3.00 Upper QD1 ILE 19 - QG PRO 31 3.00 Upper QD1 ILE 19 - QB MET 97 2.50 Upper QB LYS+ 20 - QB ASP- 28 11.75 Upper HB3 LYS+ 20 - HB2 ASP- 28 11.75 Upper HB3 LYS+ 20 - HB3 ASP- 28 11.75 Upper QB LYS+ 20 - HA PRO 31 4.25 Upper QB LYS+ 20 - QB PRO 31 4.25 Upper QB LYS+ 20 - QG PRO 31 4.25 Upper QB LYS+ 20 - QD PRO 31 4.25 Upper QB LYS+ 20 - QG1 ILE 100 4.00 Upper QG LYS+ 20 - QB ASP- 28 11.75 Upper HG3 LYS+ 20 - HB2 ASP- 28 11.75 Upper HG3 LYS+ 20 - HB3 ASP- 28 11.75 Upper QG LYS+ 20 - QG1 ILE 100 4.00 Upper QD LYS+ 20 - QG2 ILE 100 4.00 Upper QD LYS+ 20 - QG1 ILE 100 4.00 Upper QE LYS+ 20 - QG1 ILE 100 4.00 Upper HN PHE 21 - QA GLY 30 6.75 Upper QB PHE 21 - HN ILE 29 13.50 Upper QB PHE 21 - HB ILE 29 13.50 Upper QB PHE 21 - QD1 ILE 29 13.50 Upper QD PHE 21 - QG1 ILE 29 13.50 Upper QE PHE 21 - QQD LEU 43 2.00 Upper QE PHE 21 - QG1 ILE 68 0.00 Upper HZ PHE 21 - QB LEU 43 2.00 Upper HZ PHE 21 - QQD LEU 43 2.00 Upper QB ARG+ 22 - QB HIS+ 98 9.25 Upper HB2 ARG+ 22 - HB2 HIS+ 98 9.25 Upper HB2 ARG+ 22 - HB3 HIS+ 98 9.25 Upper QG ARG+ 22 - QB HIS+ 98 9.25 Upper HG2 ARG+ 22 - HB2 HIS+ 98 9.25 Upper HG2 ARG+ 22 - HB3 HIS+ 98 9.25 Upper QB LEU 23 - QD1 ILE 29 4.00 Upper QQD LEU 23 - HN ILE 29 4.00 Upper QQD LEU 23 - QD1 ILE 29 4.00 Upper QQD LEU 23 - HE3 TRP 51 10.00 Upper QQD LEU 23 - HZ3 TRP 51 10.00 Upper QQD LEU 23 - HZ2 TRP 51 10.00 Upper QQD LEU 23 - HH2 TRP 51 10.00 Upper QQD LEU 23 - QA GLY 58 4.00 Upper QD1 LEU 23 - HA2 GLY 58 4.00 Upper QD2 LEU 23 - HA2 GLY 58 4.00 Upper HB ILE 29 - QB GLU- 50 3.50 Upper QG2 ILE 29 - QB GLU- 50 3.50 Upper QD1 ILE 29 - QB GLU- 50 3.50 Upper QB PHE 34 - QG2 THR 38 2.00 Upper QB PHE 34 - QQD LEU 43 2.00 Upper QD PHE 34 - QQD LEU 43 2.00 Upper QE PHE 34 - QQD LEU 43 2.00 Upper QG2 THR 38 - QQD LEU 43 2.50 Upper QB LEU 43 - HB ILE 68 8.00 Upper QQD LEU 43 - QB LEU 67 12.50 Upper QD1 LEU 43 - HB3 LEU 67 12.50 Upper QD2 LEU 43 - HB2 LEU 67 12.50 Upper QQD LEU 43 - HG LEU 67 12.50 Upper QQD LEU 43 - QQD LEU 67 12.50 Upper QD1 LEU 43 - QD2 LEU 67 12.50 Upper QD2 LEU 43 - QD1 LEU 67 12.50 Upper QQD LEU 43 - HB ILE 68 8.00 Upper QB LYS+ 44 - HN LEU 67 7.25 Upper QB LYS+ 44 - QB LEU 67 7.25 Upper HN GLU- 45 - QQG VAL 62 1.00 Upper QG GLU- 45 - QB SER 49 0.50 Upper QG GLU- 45 - QQG VAL 62 1.00 Upper QQG VAL 47 - HE3 TRP 51 1.00 Upper HA ILE 48 - QQG VAL 62 7.50 Upper HB ILE 48 - QQG VAL 62 7.50 Upper QG1 ILE 48 - QB LYS+ 60 1.00 Upper QD1 ILE 48 - QG GLU- 56 0.00 Upper QD1 ILE 48 - QQG VAL 62 7.50 Upper HN SER 49 - QQG VAL 62 4.00 Upper QG GLU- 56 - QQG VAL 62 4.00 Upper HG2 GLU- 56 - QG1 VAL 62 4.00 Upper HG3 GLU- 56 - QG1 VAL 62 4.00 Upper HN LYS+ 60 - QB LYS+ 66 2.00 Upper HA LYS+ 60 - QB LYS+ 66 2.00 Upper HN THR 61 - QB LYS+ 66 2.00 Upper QG2 THR 61 - QB LYS+ 66 2.00 Upper QG1 ILE 68 - QB MET 97 0.75 Upper HN GLY 71 - QQG VAL 94 3.50 Upper HN LYS+ 72 - QQG VAL 94 9.50 Upper QB LYS+ 72 - HN VAL 94 9.50 Upper QB LYS+ 72 - QQG VAL 94 9.50 Upper HB2 LYS+ 72 - QG1 VAL 94 9.50 Upper HB2 LYS+ 72 - QG2 VAL 94 9.50 Upper HA VAL 73 - QQG VAL 94 10.50 Upper HA VAL 73 - QG PRO 104 0.50 Upper HB VAL 73 - QQG VAL 94 10.50 Upper HN LEU 74 - QQG VAL 94 6.00 Upper HA LEU 74 - QQG VAL 94 6.00 Upper QB LEU 74 - QG2 ILE 101 5.50 Upper QB LEU 74 - QD1 ILE 101 5.50 Upper HG LEU 74 - QQG VAL 94 6.00 Upper HG LEU 74 - QG1 ILE 100 5.25 Upper QQD LEU 74 - QD TYR 83 5.00 Upper QQD LEU 74 - QE TYR 83 5.00 Upper QQD LEU 74 - QQG VAL 94 6.00 Upper QQD LEU 74 - HB ILE 100 5.25 Upper QQD LEU 74 - QG1 ILE 100 5.25 Upper QQD LEU 74 - QB PRO 104 0.50 Upper QB GLU- 75 - HN ILE 101 6.00 Upper QB GLU- 75 - QG2 ILE 101 6.00 Upper QB GLU- 75 - QG1 ILE 101 6.00 Upper QB GLU- 75 - QD1 ILE 101 6.00 Upper QB LYS+ 78 - QE TYR 83 1.75 Upper HB VAL 80 - QD PRO 104 1.50 Upper QB SER 85 - HA ASN 89 1.25 Upper HN ASN 89 - QB GLN 102 3.00 Upper HA ASN 89 - QB GLN 102 3.00 Upper HA ASN 89 - QG GLN 102 3.00 Upper HA ASN 89 - QB PRO 104 9.50 Upper HA ASN 89 - QG PRO 104 9.50 Upper HA ASN 89 - QQG VAL 105 6.00 Upper QB ASN 89 - HN VAL 105 6.00 - at3g01050_viol: structures select 1..20 0 structures selected. - at3g01050_viol: structure violate structures=10 delete=100 *** ERROR: No structures selected. cyana>