==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-MAY-01 1J6Y . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR I.LANDRIEU,J.M.WIERUSZESKI,R.WINTJENS,D.INZE,G.LIPPENS . 120 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 50.8 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 . 12 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.7 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 1 1 0 1 0 0 0 0 0 0 0 1 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 . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A H 0 0 232 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.6 24.7 15.5 2.9 2 2 A M - 0 0 120 1,-0.1 3,-0.1 4,-0.0 4,-0.0 -0.958 360.0-134.0-177.9 160.6 25.8 11.9 3.8 3 3 A A S S+ 0 0 115 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.786 88.8 3.9 -98.0 -33.2 28.6 9.4 3.4 4 4 A S S S- 0 0 81 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.514 94.4 -64.7-131.9-158.4 26.5 6.3 2.6 5 5 A R + 0 0 217 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.569 56.1 134.2 -95.8 161.8 22.8 5.4 2.0 6 6 A D + 0 0 73 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.024 40.7 86.5-163.2 -77.2 19.9 5.6 4.5 7 7 A Q S S- 0 0 78 1,-0.1 2,-0.5 74,-0.1 -1,-0.3 0.085 71.6-127.6 -37.3 154.2 16.6 7.2 3.6 8 8 A V - 0 0 10 74,-0.2 74,-0.9 -3,-0.1 2,-0.2 -0.920 20.1-165.8-118.6 117.7 14.2 4.7 2.0 9 9 A K E +A 81 0A 110 -2,-0.5 2,-0.3 72,-0.3 72,-0.3 -0.522 26.2 138.6 -90.2 163.5 12.5 5.3 -1.4 10 10 A A E -A 80 0A 5 70,-0.6 69,-2.3 -2,-0.2 70,-1.2 -0.939 38.7-127.1 172.1 166.1 9.6 3.2 -2.5 11 11 A S E +A 78 0A 14 106,-0.5 106,-1.3 67,-0.3 2,-0.3 -0.678 28.1 166.1-123.0 179.2 6.1 2.9 -4.2 12 12 A H - 0 0 18 65,-1.2 2,-0.3 64,-0.4 104,-0.2 -0.995 22.1-136.8-178.3 174.8 2.8 1.3 -3.0 13 13 A I - 0 0 4 102,-0.5 102,-0.9 -2,-0.3 2,-0.4 -0.852 14.8-137.5-140.0 175.2 -1.0 0.9 -3.4 14 14 A L E -B 114 0B 6 53,-1.7 100,-0.3 -2,-0.3 2,-0.1 -0.984 8.5-157.0-143.4 133.2 -4.0 0.8 -1.1 15 15 A I E -B 113 0B 25 98,-2.8 98,-0.6 -2,-0.4 2,-0.4 -0.468 28.6-103.0 -99.1 175.7 -7.1 -1.5 -1.1 16 16 A K + 0 0 132 -2,-0.1 2,-0.3 96,-0.1 8,-0.1 -0.803 55.6 127.9-102.1 141.5 -10.6 -0.7 0.5 17 17 A H S S- 0 0 13 6,-0.8 21,-0.2 -2,-0.4 20,-0.1 -0.906 70.2 -62.5-165.7-167.3 -11.7 -2.2 3.8 18 18 A Q > + 0 0 115 -2,-0.3 3,-0.7 1,-0.1 2,-0.2 0.982 65.9 163.1 -59.5 -57.1 -13.1 -1.4 7.2 19 19 A G T 3 - 0 0 22 1,-0.2 -1,-0.1 2,-0.1 93,-0.1 -0.480 60.3 -69.7 72.7-141.1 -10.1 0.7 8.3 20 20 A S T 3 S+ 0 0 122 91,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.156 118.9 23.7-137.4 18.8 -10.8 3.0 11.3 21 21 A R S < S- 0 0 218 -3,-0.7 -2,-0.1 1,-0.0 -3,-0.0 0.282 119.2 -47.7-144.6 -78.6 -13.2 5.6 9.9 22 22 A R S S- 0 0 145 -5,-0.0 -1,-0.0 11,-0.0 0, 0.0 0.405 89.7 -55.7-134.0 -81.5 -15.3 4.9 6.8 23 23 A K S S- 0 0 62 -3,-0.1 -6,-0.8 3,-0.1 -3,-0.0 0.508 98.9 -45.3-140.1 -47.1 -13.8 3.3 3.7 24 24 A A S S- 0 0 21 -8,-0.1 46,-0.5 2,-0.1 3,-0.1 0.239 72.0 -96.9 176.2 32.3 -10.8 5.3 2.4 25 25 A S S S+ 0 0 67 1,-0.1 2,-0.1 44,-0.1 0, 0.0 0.899 80.8 142.4 41.8 46.8 -11.7 9.1 2.4 26 26 A W - 0 0 81 44,-0.1 2,-1.5 43,-0.0 -1,-0.1 -0.425 67.5 -82.8-105.8-175.0 -12.5 8.6 -1.4 27 27 A K S S+ 0 0 169 -2,-0.1 -2,-0.0 -3,-0.1 -1,-0.0 -0.555 75.7 137.7 -90.2 77.0 -15.3 10.2 -3.5 28 28 A D - 0 0 84 -2,-1.5 2,-0.8 3,-0.0 3,-0.1 -0.805 64.1 -92.7-119.1 163.0 -18.1 7.8 -2.7 29 29 A P - 0 0 102 0, 0.0 3,-0.3 0, 0.0 -2,-0.0 -0.606 27.3-147.1 -74.6 108.3 -21.8 8.3 -2.0 30 30 A E + 0 0 156 -2,-0.8 3,-0.1 1,-0.2 -3,-0.0 0.881 61.0 127.5 -43.1 -38.5 -22.1 8.6 1.8 31 31 A G S S- 0 0 43 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.245 80.3 -40.6 18.1-102.3 -25.5 6.8 1.3 32 32 A K - 0 0 180 -3,-0.3 -1,-0.1 0, 0.0 -2,-0.0 -0.962 61.2-105.3-151.5 131.0 -25.2 4.0 3.8 33 33 A I - 0 0 128 -2,-0.3 2,-0.2 -3,-0.1 -10,-0.0 -0.228 42.2-163.0 -53.6 139.3 -22.2 1.7 4.7 34 34 A I - 0 0 131 1,-0.0 2,-0.5 0, 0.0 -1,-0.1 -0.746 29.7 -82.3-121.5 171.3 -22.7 -1.8 3.2 35 35 A L S S+ 0 0 171 -2,-0.2 2,-0.2 3,-0.0 3,-0.1 -0.598 72.7 120.9 -76.3 123.4 -21.1 -5.2 3.9 36 36 A T - 0 0 77 -2,-0.5 5,-0.1 1,-0.2 -18,-0.1 -0.757 63.0 -11.7-155.9-157.0 -17.8 -5.5 2.0 37 37 A T - 0 0 24 -2,-0.2 2,-0.2 4,-0.1 -1,-0.2 -0.224 68.9-176.7 -51.7 136.3 -14.0 -6.1 2.6 38 38 A T > - 0 0 48 -21,-0.2 4,-4.6 -20,-0.1 5,-0.3 -0.699 42.4 -72.0-128.1-177.5 -13.3 -5.8 6.4 39 39 A R H > S+ 0 0 159 -2,-0.2 4,-1.5 2,-0.2 3,-0.1 0.924 132.3 28.9 -40.0 -77.9 -10.3 -5.9 8.7 40 40 A E H >> S+ 0 0 129 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.973 122.8 50.4 -49.3 -67.0 -9.7 -9.7 8.4 41 41 A A H 3> S+ 0 0 21 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.874 102.6 64.8 -40.7 -42.3 -11.1 -10.0 4.9 42 42 A A H 3X S+ 0 0 1 -4,-4.6 4,-2.5 1,-0.3 5,-0.3 0.956 102.1 46.2 -49.0 -54.7 -8.8 -7.0 3.9 43 43 A V H S+ 0 0 1 -4,-2.5 4,-3.7 -5,-0.3 5,-0.6 0.880 101.1 69.7 -77.1 -36.3 -4.4 -8.6 -0.2 47 47 A K H X5S+ 0 0 107 -4,-2.8 4,-1.1 -5,-0.3 -1,-0.2 0.909 112.2 32.5 -47.7 -42.1 -3.2 -12.1 0.3 48 48 A S H X5S+ 0 0 64 -4,-1.5 4,-4.1 2,-0.2 5,-0.3 0.820 115.7 58.2 -85.7 -31.4 -4.3 -12.8 -3.3 49 49 A I H X5S+ 0 0 41 -4,-1.5 4,-3.3 -5,-0.3 5,-0.3 0.959 110.5 42.9 -64.0 -45.5 -3.6 -9.3 -4.5 50 50 A R H X5S+ 0 0 68 -4,-3.7 4,-1.8 2,-0.2 -1,-0.2 0.926 116.9 49.5 -65.0 -39.7 0.1 -9.7 -3.5 51 51 A E H X + 0 0 25 -2,-0.1 4,-4.2 -47,-0.0 5,-0.3 0.112 60.9 72.1-173.0 -53.8 0.3 -1.7 -11.3 61 61 A E H >> S+ 0 0 130 2,-0.2 4,-1.2 1,-0.2 3,-0.8 0.940 105.4 38.8 -44.9 -81.6 0.5 2.0 -12.1 62 62 A E H >> S+ 0 0 135 1,-0.3 4,-1.6 2,-0.2 3,-0.8 0.871 119.7 51.1 -40.1 -40.7 -3.1 2.6 -13.3 63 63 A V H 3> S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.940 104.7 55.2 -65.2 -42.6 -4.1 0.2 -10.5 64 64 A A H << S+ 0 0 0 -4,-4.2 -1,-0.3 -3,-0.8 -2,-0.2 0.656 107.4 53.7 -64.4 -11.5 -2.1 2.2 -8.0 65 65 A T H << S+ 0 0 57 -4,-1.2 3,-0.3 -3,-0.8 -1,-0.2 0.820 119.9 27.4 -92.2 -35.2 -4.1 5.2 -9.2 66 66 A R H < S+ 0 0 199 -4,-1.6 2,-2.1 -3,-0.3 -2,-0.2 0.925 125.9 40.2 -90.4 -65.0 -7.6 3.8 -8.7 67 67 A V S < S+ 0 0 45 -4,-1.3 -53,-1.7 -5,-0.2 2,-0.3 -0.346 103.7 93.8 -81.8 61.1 -7.2 1.2 -5.8 68 68 A S S S- 0 0 3 -2,-2.1 5,-0.3 -3,-0.3 -55,-0.1 -0.956 89.9 -61.6-146.0 165.9 -4.8 3.4 -3.8 69 69 A D > - 0 0 36 -2,-0.3 4,-4.5 3,-0.1 5,-0.4 -0.186 58.6-110.0 -47.9 134.8 -4.9 6.0 -1.0 70 70 A C H > S+ 0 0 59 -46,-0.5 4,-1.2 1,-0.3 5,-0.2 0.894 124.5 38.6 -34.2 -59.4 -7.0 9.0 -2.2 71 71 A S H >> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 3,-0.8 0.947 116.7 52.8 -60.0 -44.0 -3.8 11.1 -2.5 72 72 A S H 34 S+ 0 0 12 1,-0.3 -2,-0.3 2,-0.2 -1,-0.2 0.908 95.2 67.3 -60.3 -38.7 -2.0 8.0 -3.8 73 73 A A H >< S+ 0 0 16 -4,-4.5 3,-0.8 -5,-0.3 -1,-0.3 0.929 106.6 43.0 -48.7 -38.0 -4.6 7.6 -6.5 74 74 A K H << S+ 0 0 190 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.850 127.2 32.7 -74.2 -31.5 -3.1 10.8 -7.8 75 75 A R T 3< S+ 0 0 178 -4,-1.5 -1,-0.3 -6,-0.3 -2,-0.2 -0.403 71.4 150.8-118.5 53.4 0.3 9.3 -7.0 76 76 A G < + 0 0 3 -3,-0.8 -64,-0.4 -5,-0.1 -11,-0.1 0.765 64.8 71.5 -58.7 -19.8 -0.4 5.6 -7.8 77 77 A G S S- 0 0 41 1,-0.2 -65,-1.2 -5,-0.2 2,-0.3 0.894 107.8 -61.1 -61.4 -99.9 3.3 5.4 -8.7 78 78 A D E -A 11 0A 73 -67,-0.3 -67,-0.3 1,-0.2 -1,-0.2 -0.894 31.3-111.9-144.6 176.7 5.4 5.7 -5.6 79 79 A L E - 0 0 45 -69,-2.3 2,-0.4 -2,-0.3 -68,-0.2 0.974 45.0-142.7 -75.7 -59.3 6.2 8.0 -2.6 80 80 A G E -A 10 0A 18 -70,-1.2 -70,-0.6 -3,-0.1 2,-0.3 -0.779 55.6 -14.0 132.8 -87.8 9.8 8.7 -3.6 81 81 A S E +A 9 0A 59 -2,-0.4 -72,-0.3 -72,-0.3 2,-0.2 -0.995 55.9 151.9-151.2 142.8 12.1 8.9 -0.6 82 82 A F - 0 0 9 -74,-0.9 -74,-0.2 -2,-0.3 -2,-0.1 -0.617 13.3-174.0-171.8 104.3 11.7 9.2 3.2 83 83 A G S S- 0 0 14 -76,-0.2 -1,-0.0 -2,-0.2 -76,-0.0 0.868 84.2 -13.7 -69.7-101.7 14.1 7.8 5.8 84 84 A R S S+ 0 0 203 8,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.266 125.7 83.6 -87.5 15.3 12.8 8.2 9.4 85 85 A G S S+ 0 0 35 3,-0.0 3,-0.1 7,-0.0 7,-0.0 -0.676 82.1 14.1-111.8 169.3 10.1 10.5 8.1 86 86 A Q S S+ 0 0 138 -2,-0.2 6,-0.1 1,-0.1 -4,-0.0 0.108 108.0 42.9 55.5 178.7 6.7 9.7 6.6 87 87 A M S S- 0 0 32 4,-0.1 2,-0.2 5,-0.1 -1,-0.1 -0.008 80.9-143.7 43.7-156.5 5.3 6.2 6.9 88 88 A Q > - 0 0 131 -3,-0.1 5,-0.6 1,-0.0 4,-0.3 -0.725 42.8 -34.6-167.8-141.5 5.9 4.7 10.3 89 89 A K T >5S+ 0 0 181 -2,-0.2 4,-1.1 3,-0.2 5,-0.1 0.948 128.9 39.1 -68.2 -48.8 6.7 1.4 12.1 90 90 A P H >5S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 19,-0.1 0.991 121.9 32.8 -67.6 -81.7 4.9 -0.9 9.7 91 91 A F H >>5S+ 0 0 2 2,-0.2 3,-2.2 1,-0.2 4,-2.0 0.934 120.3 50.5 -42.2 -64.9 5.4 0.3 6.1 92 92 A E H 3>5S+ 0 0 25 1,-0.3 4,-3.1 -4,-0.3 5,-0.4 0.936 110.3 48.9 -42.1 -58.1 8.9 1.7 6.8 93 93 A E H 3X +C 112 0B 32 3,-1.4 3,-1.3 -2,-0.9 2,-0.9 -0.965 66.4 41.0-175.1-170.4 -1.6 0.3 8.4 110 110 A D T 3 S- 0 0 86 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.256 134.7 -0.1 51.7 -94.3 -1.6 4.1 8.0 111 111 A S T 3 S- 0 0 47 -2,-0.9 -91,-0.3 -92,-0.1 -1,-0.3 0.904 124.0 -74.2 -89.9 -48.2 -4.8 4.2 5.9 112 112 A G E < S- C 0 109B 4 -3,-1.3 -3,-1.4 -5,-0.2 2,-0.4 -0.334 90.5 -7.4-171.3 -99.3 -5.7 0.5 5.6 113 113 A V E +BC 15 108B 1 -98,-0.6 -98,-2.8 -5,-0.3 -5,-0.3 -0.977 63.0 164.0-125.9 129.5 -4.0 -2.1 3.5 114 114 A H E -BC 14 107B 5 -7,-3.9 -7,-1.9 -2,-0.4 2,-0.3 -0.731 27.5-139.7-130.9-176.6 -1.3 -1.4 0.9 115 115 A I - 0 0 3 -102,-0.9 -102,-0.5 -2,-0.2 -11,-0.1 -0.891 19.5-145.7-150.8 112.3 1.4 -3.2 -1.1 116 116 A I + 0 0 7 -2,-0.3 -104,-0.3 -104,-0.2 2,-0.2 -0.261 17.8 176.2 -76.7 168.0 4.9 -1.7 -1.6 117 117 A K + 0 0 31 -106,-1.3 -106,-0.5 -17,-0.1 -2,-0.0 -0.704 5.2 168.5-172.2 113.1 7.1 -2.1 -4.8 118 118 A R S S- 0 0 131 -2,-0.2 -108,-0.1 -108,-0.2 -106,-0.0 0.677 70.1 -8.2 -98.3-100.8 10.4 -0.4 -5.5 119 119 A T 0 0 100 1,-0.2 -19,-0.1 -108,-0.0 -18,-0.0 0.924 360.0 360.0 -64.2 -93.7 12.6 -1.6 -8.4 120 120 A A 0 0 91 -21,-0.1 -1,-0.2 -20,-0.0 -20,-0.0 0.390 360.0 360.0 68.4 360.0 11.0 -4.7 -9.9