==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-SEP-09 3JYM . COMPND 2 MOLECULE: FK506-BINDING PROTEIN (FKBP) FROM WHEAT; . SOURCE 2 ORGANISM_SCIENTIFIC: TRITICUM AESTIVUM; . AUTHOR O.DYM,A.BREIMAN,ISRAEL STRUCTURAL PROTEOMICS CENTER (ISPC) . 609 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 223 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 4 3 8 3 6 1 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 33 A G 0 0 74 0, 0.0 52,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 166.7 -56.9 -5.8 -45.6 2 34 A E E -A 52 0A 161 50,-1.1 50,-4.0 48,-0.0 2,-0.3 -0.488 360.0-102.3-150.6-160.3 -55.9 -6.6 -42.0 3 35 A E E +A 51 0A 57 48,-0.2 2,-0.3 -2,-0.1 48,-0.2 -0.998 15.5 173.2-156.0 143.1 -54.8 -8.8 -39.1 4 36 A N E A 50 0A 96 46,-1.4 46,-2.2 -2,-0.3 -2,-0.0 -0.840 360.0 360.0-138.2 172.1 -55.8 -10.7 -36.0 5 37 A E 0 0 166 -2,-0.3 43,-0.1 44,-0.2 -1,-0.1 0.761 360.0 360.0-135.9 360.0 -53.6 -13.0 -33.8 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 54 A W 0 0 266 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.2 -42.8 -5.6 -25.7 8 55 A D - 0 0 89 1,-0.0 37,-0.4 0, 0.0 34,-0.0 -0.158 360.0-152.5 -74.2 163.6 -40.8 -4.2 -28.7 9 56 A T - 0 0 37 35,-0.1 35,-0.1 36,-0.0 32,-0.1 -0.978 21.9-102.5-133.3 146.9 -41.6 -3.9 -32.5 10 57 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.347 38.4-146.5 -53.3 143.3 -39.9 -3.8 -35.9 11 58 A E > - 0 0 80 1,-0.2 3,-2.1 31,-0.0 16,-0.2 -0.749 36.0 -65.9-105.6 160.0 -39.5 -0.4 -37.5 12 59 A V T 3 S+ 0 0 113 -2,-0.3 56,-0.3 1,-0.2 -1,-0.2 -0.111 122.8 11.2 -18.2 121.1 -39.5 0.8 -41.1 13 60 A G T 3 S+ 0 0 7 14,-1.7 -1,-0.2 1,-0.2 15,-0.1 0.438 89.6 141.5 75.2 -2.5 -36.5 -0.8 -42.8 14 61 A D < - 0 0 0 -3,-2.1 13,-2.1 12,-0.1 2,-1.1 -0.242 61.3-107.6 -66.1 158.6 -35.4 -3.3 -40.1 15 62 A E E -BC 26 66A 60 51,-2.8 51,-0.7 11,-0.2 11,-0.2 -0.763 44.5-169.0 -95.9 97.0 -34.2 -6.7 -41.2 16 63 A V E -BC 25 65A 0 9,-2.1 9,-1.0 -2,-1.1 2,-0.5 -0.528 14.5-157.1 -88.5 144.8 -37.0 -9.1 -40.2 17 64 A E E + 0 0 54 47,-2.7 46,-3.2 7,-0.2 2,-0.3 -0.992 26.0 169.6-117.2 129.7 -36.9 -12.9 -40.2 18 65 A V E - C 0 62A 0 -2,-0.5 2,-0.5 44,-0.2 44,-0.2 -0.979 35.6-139.7-135.2 151.1 -40.2 -14.6 -40.6 19 66 A H E + C 0 61A 87 42,-2.3 42,-3.2 -2,-0.3 2,-0.2 -0.940 38.0 168.1 -95.1 135.8 -41.9 -17.9 -41.1 20 67 A Y 0 0 118 -2,-0.5 40,-0.2 40,-0.2 38,-0.1 -0.716 360.0 360.0-132.0-171.4 -44.9 -17.6 -43.4 21 68 A T 0 0 128 -2,-0.2 38,-1.7 36,-0.1 -2,-0.0 -0.698 360.0 360.0 171.0 360.0 -47.3 -19.8 -45.4 22 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 23 87 A F 0 0 140 0, 0.0 -6,-0.1 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 143.8 -37.4 -15.8 -44.2 24 88 A K + 0 0 142 -8,-0.4 2,-0.2 1,-0.0 -7,-0.2 -0.179 360.0 130.6 174.1 101.3 -36.3 -12.9 -44.5 25 89 A F E -B 16 0A 17 -9,-1.0 -9,-2.1 -11,-0.0 2,-0.9 -0.800 52.4 -74.4-149.0 171.3 -36.2 -9.3 -45.7 26 90 A K E > > -B 15 0A 77 -2,-0.2 3,-1.3 -11,-0.2 5,-0.5 -0.764 57.3-121.6 -81.4 105.6 -36.0 -5.5 -45.3 27 91 A L T 3 5S- 0 0 3 -13,-2.1 -14,-1.7 -2,-0.9 3,-0.1 -0.260 80.5 -9.0 -40.8 119.4 -39.4 -4.4 -43.9 28 92 A G T 3 5S+ 0 0 44 -16,-0.2 -1,-0.2 1,-0.1 -16,-0.1 0.523 102.2 105.3 73.9 12.1 -41.3 -1.9 -45.9 29 93 A Q T < 5S- 0 0 103 -3,-1.3 3,-0.2 -17,-0.0 -1,-0.1 0.398 103.5 -64.1 -86.4-130.8 -38.7 -1.0 -48.5 30 94 A G T 5S+ 0 0 73 1,-0.1 4,-0.1 -3,-0.1 -3,-0.1 0.386 106.8 109.1 -93.4 5.5 -39.2 -2.4 -52.0 31 95 A Q S S+ 0 0 39 1,-0.1 3,-1.4 2,-0.1 -1,-0.2 0.923 90.8 26.0 -40.4-108.2 -49.1 -5.6 -49.5 36 100 A W G > S+ 0 0 23 1,-0.3 3,-1.1 -3,-0.2 4,-0.5 0.375 97.8 81.2 -70.9 -5.5 -48.2 -7.5 -46.2 37 101 A D G >> S+ 0 0 3 -4,-0.4 3,-1.9 1,-0.2 4,-0.7 0.871 79.0 74.8 -45.5 -45.0 -45.1 -5.6 -45.0 38 102 A Q G <4 S+ 0 0 143 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.226 99.5 39.3 -73.3 7.4 -47.4 -2.9 -43.5 39 103 A G G X4 S+ 0 0 13 -3,-1.1 3,-1.1 -37,-0.1 -1,-0.3 0.397 92.7 79.4-130.3 -10.0 -48.5 -5.0 -40.6 40 104 A I G X4 S+ 0 0 0 -3,-1.9 3,-1.0 -4,-0.5 -2,-0.2 0.746 84.5 70.4 -65.9 -23.6 -45.3 -6.8 -39.6 41 105 A K G 3< S+ 0 0 96 -4,-0.7 -1,-0.2 1,-0.3 -3,-0.1 0.438 96.1 48.8 -77.9 -2.4 -44.4 -3.5 -37.9 42 106 A T G < S+ 0 0 75 -3,-1.1 -1,-0.3 -33,-0.1 -2,-0.2 0.406 95.0 105.8-106.3 -7.3 -47.0 -4.0 -35.1 43 107 A M < - 0 0 0 -3,-1.0 2,-0.2 -4,-0.2 3,-0.1 -0.376 61.8-140.6 -72.9 149.4 -45.8 -7.6 -34.6 44 108 A K - 0 0 66 -35,-0.1 18,-0.3 1,-0.1 -35,-0.1 -0.660 29.0 -98.6-102.6 167.8 -43.7 -8.7 -31.6 45 109 A K S S+ 0 0 123 -37,-0.4 17,-0.2 -2,-0.2 -1,-0.1 0.929 119.0 29.4 -48.6 -88.4 -40.8 -11.2 -31.6 46 110 A G S S+ 0 0 69 15,-0.1 -1,-0.2 -3,-0.1 18,-0.1 0.740 101.2 129.5 -37.4 -27.1 -42.4 -14.6 -30.4 47 111 A E - 0 0 31 14,-0.1 15,-1.7 1,-0.1 2,-0.4 0.226 46.0-160.0 -60.7 155.5 -45.6 -13.4 -32.1 48 112 A N E + D 0 61A 78 13,-0.2 2,-0.3 -43,-0.1 13,-0.2 -0.977 17.6 174.9-139.5 99.8 -47.8 -15.3 -34.5 49 113 A A E - D 0 60A 1 11,-2.5 11,-3.0 -2,-0.4 2,-0.6 -0.838 25.8-144.2-113.2 154.2 -50.2 -13.2 -36.7 50 114 A L E -AD 4 59A 66 -46,-2.2 -46,-1.4 -2,-0.3 2,-0.3 -0.942 20.6-158.5-115.9 108.6 -52.5 -14.1 -39.5 51 115 A F E -AD 3 58A 10 7,-2.5 7,-2.1 -2,-0.6 2,-0.6 -0.693 1.2-154.3 -88.6 135.1 -52.7 -11.3 -42.1 52 116 A T E -AD 2 57A 63 -50,-4.0 -50,-1.1 -2,-0.3 5,-0.2 -0.939 11.3-175.6-115.3 118.7 -55.7 -11.1 -44.4 53 117 A I 0 0 46 3,-3.4 -18,-0.0 -2,-0.6 -2,-0.0 -0.925 360.0 360.0-112.7 130.9 -55.2 -9.5 -47.8 54 118 A P 0 0 108 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.453 360.0 360.0 -90.6 360.0 -58.2 -8.9 -50.2 55 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 56 138 A L 0 0 141 0, 0.0 -3,-3.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.1 -55.1 -14.2 -49.4 57 139 A Q E - D 0 52A 109 -5,-0.2 2,-0.4 2,-0.0 -5,-0.2 -0.904 360.0-165.6-114.3 147.4 -54.1 -15.3 -45.9 58 140 A F E - D 0 51A 29 -7,-2.1 -7,-2.5 -2,-0.3 2,-1.0 -0.923 11.9-156.8-136.2 105.1 -50.6 -15.3 -44.3 59 141 A D E - D 0 50A 73 -38,-1.7 2,-0.5 -2,-0.4 -9,-0.2 -0.752 28.8-172.0 -77.6 105.1 -49.7 -17.2 -41.1 60 142 A V E - D 0 49A 0 -11,-3.0 -11,-2.5 -2,-1.0 2,-0.7 -0.911 20.6-169.3-110.7 116.7 -46.6 -15.1 -40.1 61 143 A E E -CD 19 48A 73 -42,-3.2 -42,-2.3 -2,-0.5 2,-0.7 -0.945 17.9-147.7 -97.8 109.9 -44.3 -16.0 -37.3 62 144 A L E +C 18 0A 1 -15,-1.7 -44,-0.2 -2,-0.7 3,-0.1 -0.720 21.9 178.6 -74.0 117.6 -42.0 -13.0 -36.7 63 145 A L E - 0 0 41 -46,-3.2 2,-0.2 -2,-0.7 -1,-0.2 0.911 51.1 -41.3 -86.5 -80.0 -38.9 -14.8 -35.6 64 146 A S E - 0 0 41 -47,-0.3 -47,-2.7 -18,-0.1 -1,-0.4 -0.636 49.7-155.3-123.0-173.0 -36.3 -12.0 -35.0 65 147 A W E -C 16 0A 36 -49,-0.3 2,-0.4 -2,-0.2 -49,-0.2 -0.932 11.7-142.0-145.1 172.0 -35.1 -8.7 -36.5 66 148 A T E -C 15 0A 41 -51,-0.7 -51,-2.8 -2,-0.3 16,-0.1 -0.979 30.4-124.6-127.3 126.0 -32.0 -6.5 -36.5 67 149 A S - 0 0 9 14,-0.4 14,-1.7 -2,-0.4 2,-0.4 -0.326 18.9-155.9 -65.9 149.9 -32.6 -2.7 -36.5 68 150 A V E -E 80 0B 27 -56,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.968 11.4-164.5-132.6 126.0 -31.0 -0.6 -39.2 69 151 A R E -E 79 0B 76 10,-2.3 10,-2.9 -2,-0.4 2,-1.7 -0.899 23.9-148.4-121.3 128.5 -30.4 3.1 -38.5 70 152 A D E > +E 78 0B 62 -2,-0.4 3,-0.9 8,-0.2 8,-0.2 -0.570 30.5 174.0 -94.4 82.0 -29.7 6.0 -40.8 71 153 A I T 3 S+ 0 0 35 -2,-1.7 -1,-0.2 6,-0.8 7,-0.1 0.703 73.5 43.5 -72.5 -26.4 -27.5 7.8 -38.2 72 154 A A T 3 S- 0 0 8 5,-0.7 -1,-0.3 -3,-0.2 -2,-0.1 0.658 104.1-126.0 -89.1 -11.9 -26.2 10.6 -40.3 73 155 A K S < S+ 0 0 183 -3,-0.9 -2,-0.1 4,-0.3 5,-0.1 0.943 94.4 88.4 71.6 50.3 -29.8 11.2 -41.8 74 156 A D S S- 0 0 91 3,-0.2 4,-0.1 0, 0.0 -3,-0.1 0.453 105.0-112.2-154.0 -15.5 -28.0 10.9 -45.0 75 157 A G S S+ 0 0 15 2,-0.2 3,-0.2 73,-0.0 -4,-0.1 0.472 91.5 119.5 58.0 8.6 -27.9 7.3 -46.0 76 158 A G S S+ 0 0 2 1,-0.3 72,-2.4 71,-0.1 2,-0.4 0.812 80.3 14.5 -66.6 -33.6 -24.2 8.1 -45.3 77 159 A I E - F 0 147B 0 70,-0.2 -6,-0.8 2,-0.0 -5,-0.7 -0.932 66.7-166.0-145.1 120.4 -24.0 5.6 -42.5 78 160 A F E -EF 70 146B 87 68,-1.7 68,-1.9 -2,-0.4 2,-0.6 -0.953 13.4-153.1-106.0 119.9 -26.4 2.9 -41.9 79 161 A K E -EF 69 145B 8 -10,-2.9 -10,-2.3 -2,-0.6 2,-0.5 -0.829 7.7-168.0 -92.4 117.8 -26.0 1.3 -38.5 80 162 A K E -EF 68 144B 55 64,-2.9 64,-2.3 -2,-0.6 2,-0.7 -0.891 14.5-144.7-108.1 117.7 -27.1 -2.4 -38.3 81 163 A I E + F 0 143B 18 -14,-1.7 -14,-0.4 -2,-0.5 62,-0.3 -0.807 26.1 169.6 -93.5 114.1 -27.3 -3.6 -34.7 82 164 A L E S+ 0 0 85 60,-2.2 2,-0.4 -2,-0.7 61,-0.2 0.564 76.2 23.3-100.5 -23.9 -26.3 -7.2 -34.5 83 165 A K E S- F 0 142B 119 59,-2.4 59,-2.4 -17,-0.0 -1,-0.3 -0.959 82.4-132.3-138.6 130.3 -26.1 -7.2 -30.7 84 166 A E - 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