==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-AUG-00 1FJD . COMPND 2 MOLECULE: PEPTIDYL PROLYL CIS/TRANS ISOMERASE (PPIASE); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.TERADA,M.SHIROUZU,Y.FUKUMORI,F.FUJIMORI,Y.ITO,T.KIGAWA, . 104 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 51.9 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 . 11 10.6 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 1.0 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 . 1 1.0 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 . 6 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.8 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 2 0 0 0 0 0 1 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 . 1 0 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 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 28 A G 0 0 133 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 50.6 79.1 -21.9 -15.9 2 29 A S - 0 0 87 1,-0.5 0, 0.0 3,-0.1 0, 0.0 -0.501 360.0 -43.9-128.0 66.5 80.2 -18.2 -15.6 3 30 A G S S- 0 0 48 -2,-0.2 2,-1.5 1,-0.1 -1,-0.5 0.067 91.2 -52.0 91.3 152.6 83.8 -18.2 -14.4 4 31 A P S S+ 0 0 149 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.395 79.5 147.3 -61.7 90.4 85.4 -20.3 -11.7 5 32 A K + 0 0 145 -2,-1.5 -3,-0.1 1,-0.1 99,-0.0 -0.899 9.3 123.5-133.5 107.7 83.0 -19.5 -8.9 6 33 A G S S+ 0 0 90 -2,-0.4 -1,-0.1 0, 0.0 98,-0.0 -0.000 75.7 34.9-152.2 35.4 82.2 -22.1 -6.2 7 34 A G - 0 0 59 3,-0.1 -2,-0.1 0, 0.0 97,-0.1 0.255 61.8-165.6-151.1 -70.0 83.0 -20.4 -2.8 8 35 A G + 0 0 13 96,-0.3 3,-0.1 95,-0.1 95,-0.1 0.988 33.4 142.0 68.1 76.7 82.3 -16.7 -2.4 9 36 A N + 0 0 98 95,-2.1 51,-0.7 1,-0.2 2,-0.3 0.443 60.6 43.4-125.6 -5.8 84.2 -15.8 0.8 10 37 A A E -A 59 0A 0 49,-0.2 94,-0.5 94,-0.0 2,-0.3 -0.983 59.6-179.9-140.0 150.1 85.6 -12.4 -0.1 11 38 A V E -A 58 0A 0 47,-1.3 2,-1.2 -2,-0.3 47,-1.0 -0.992 36.7-108.8-147.2 151.4 84.0 -9.3 -1.8 12 39 A K E -A 57 0A 51 -2,-0.3 89,-2.1 45,-0.2 2,-0.3 -0.685 47.6-179.8 -88.2 101.1 85.3 -5.8 -2.7 13 40 A V E -A 56 0A 0 -2,-1.2 43,-0.7 43,-1.0 2,-0.3 -0.742 13.0-175.2-101.8 149.8 83.4 -3.6 -0.3 14 41 A R - 0 0 47 -2,-0.3 85,-2.1 40,-0.2 2,-0.4 -0.969 9.9-154.3-136.9 150.0 83.6 0.2 0.1 15 42 A H + 0 0 17 34,-0.8 2,-0.3 -2,-0.3 83,-0.2 -0.974 17.3 173.5-135.5 149.0 81.9 2.5 2.7 16 43 A I - 0 0 0 81,-0.5 81,-3.8 -2,-0.4 2,-0.3 -0.967 12.1-172.4-147.3 124.7 80.7 6.1 3.1 17 44 A L B -B 96 0B 5 28,-1.3 2,-0.4 -2,-0.3 79,-0.2 -0.913 11.3-160.8-121.9 150.2 78.8 7.4 6.1 18 45 A C > - 0 0 0 77,-1.3 3,-3.1 -2,-0.3 77,-0.3 -0.753 5.3-169.9-131.3 90.0 77.1 10.8 6.7 19 46 A E T 3 S+ 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 26,-0.0 0.842 97.2 50.6 -46.7 -31.0 76.4 11.6 10.3 20 47 A K T 3 S- 0 0 160 -3,-0.1 -1,-0.3 1,-0.1 74,-0.0 0.666 96.5-147.4 -82.4 -14.7 74.3 14.5 8.9 21 48 A H S < S+ 0 0 68 -3,-3.1 4,-0.2 74,-0.1 -2,-0.1 0.722 77.6 97.1 56.7 16.0 72.5 12.1 6.6 22 49 A G S > S+ 0 0 53 2,-0.1 4,-0.9 3,-0.1 3,-0.4 0.782 82.7 39.5-102.4 -37.3 72.4 15.1 4.2 23 50 A K H > S+ 0 0 31 1,-0.2 4,-4.1 2,-0.2 5,-0.4 0.635 89.8 90.8 -87.9 -11.7 75.4 14.3 2.0 24 51 A I H > S+ 0 0 16 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.922 99.5 36.2 -49.9 -38.3 74.6 10.5 1.9 25 52 A M H > S+ 0 0 69 -3,-0.4 4,-4.7 2,-0.3 5,-0.4 0.944 112.7 55.4 -79.8 -46.9 72.6 11.4 -1.2 26 53 A E H X S+ 0 0 88 -4,-0.9 4,-1.8 1,-0.3 5,-0.2 0.884 114.3 44.5 -51.9 -29.7 75.1 14.0 -2.4 27 54 A A H X S+ 0 0 0 -4,-4.1 4,-1.2 2,-0.2 -1,-0.3 0.822 114.2 48.1 -82.7 -30.4 77.4 11.0 -2.0 28 55 A M H X S+ 0 0 19 -4,-1.2 4,-0.8 -5,-0.4 52,-0.4 0.855 116.3 43.7 -77.5 -33.1 74.8 8.8 -3.7 29 56 A E H >X S+ 0 0 98 -4,-4.7 4,-3.6 2,-0.2 3,-0.5 0.974 111.7 50.1 -76.4 -56.9 74.2 11.3 -6.6 30 57 A K H 3X>S+ 0 0 23 -4,-1.8 4,-2.3 -5,-0.4 5,-2.1 0.959 112.6 47.5 -45.2 -63.1 77.9 12.2 -7.3 31 58 A L H 3<5S+ 0 0 5 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.851 117.8 44.5 -48.7 -33.8 78.9 8.6 -7.5 32 59 A K H <<5S+ 0 0 128 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.816 115.8 45.2 -82.8 -30.1 75.9 8.1 -9.8 33 60 A S H <5S- 0 0 71 -4,-3.6 -2,-0.2 -3,-0.5 -3,-0.2 0.619 115.9-113.2 -87.3 -11.4 76.5 11.2 -11.8 34 61 A G T <5S+ 0 0 50 -4,-2.3 -3,-0.2 -5,-0.4 3,-0.2 0.808 70.4 139.0 85.1 30.6 80.2 10.4 -12.1 35 62 A M < - 0 0 97 -5,-2.1 2,-0.4 -6,-0.2 -5,-0.0 0.326 65.2 -19.3 -82.4-141.6 81.4 13.4 -10.0 36 63 A R + 0 0 129 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 -0.499 55.1 178.9 -68.3 120.6 84.1 13.2 -7.4 37 64 A F S > S+ 0 0 97 -2,-0.4 4,-0.7 -3,-0.2 14,-0.5 0.782 83.8 36.9 -90.4 -29.9 84.6 9.6 -6.4 38 65 A N H > S+ 0 0 103 13,-0.2 4,-2.4 3,-0.2 12,-0.1 0.873 116.7 48.6 -90.5 -41.4 87.5 10.4 -3.9 39 66 A E H >>S+ 0 0 68 2,-0.2 4,-2.3 1,-0.2 5,-0.6 0.990 115.3 44.5 -64.4 -55.2 86.3 13.6 -2.5 40 67 A V H 4>S+ 0 0 0 -4,-0.4 5,-1.5 1,-0.3 -1,-0.2 0.969 117.4 46.0 -53.0 -49.0 82.8 12.3 -1.8 41 68 A A H <5S+ 0 0 0 -4,-0.7 -1,-0.3 3,-0.2 6,-0.2 0.873 111.8 57.1 -62.3 -29.9 84.4 9.2 -0.4 42 69 A A H <>S- 0 0 50 -4,-2.4 5,-0.6 7,-0.2 -2,-0.2 0.998 132.8 -3.9 -64.2 -72.8 86.7 11.5 1.5 43 70 A Q T ><5S+ 0 0 117 -4,-2.3 3,-5.3 2,-0.1 -3,-0.2 0.918 124.9 64.8 -91.3 -50.2 84.2 13.5 3.4 44 71 A Y T 3 S+ 0 0 19 -14,-0.5 3,-3.2 2,-0.2 -13,-0.2 0.948 142.3 16.1 -60.2 -89.9 86.2 5.1 -3.2 52 79 A G T 3 S+ 0 0 56 -15,-0.4 -1,-0.2 1,-0.3 -14,-0.1 0.836 131.9 54.3 -55.1 -27.3 89.8 6.0 -2.2 53 80 A G T 3 S+ 0 0 3 -38,-0.1 -1,-0.3 -15,-0.1 2,-0.3 0.509 74.4 142.5 -84.4 -1.9 88.8 4.5 1.1 54 81 A D < - 0 0 44 -3,-3.2 -40,-0.2 -4,-0.2 -4,-0.1 -0.104 42.9-154.4 -41.2 94.9 87.8 1.3 -0.7 55 82 A L - 0 0 84 -6,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.929 26.6-139.9 -40.4 -76.3 89.1 -1.1 2.0 56 83 A G E +A 13 0A 15 -43,-0.7 -43,-1.0 -45,-0.1 -45,-0.2 -0.984 53.4 10.8 144.8-155.8 89.6 -4.1 -0.4 57 84 A W E -A 12 0A 115 -2,-0.3 2,-0.4 -45,-0.2 -45,-0.2 -0.298 67.2-178.5 -55.5 129.9 89.1 -7.9 -0.2 58 85 A M E -A 11 0A 53 -47,-1.0 -47,-1.3 -3,-0.0 2,-0.3 -0.980 11.4-163.5-138.0 127.5 87.0 -8.7 2.9 59 86 A T E > -A 10 0A 57 -2,-0.4 3,-1.3 -49,-0.2 -49,-0.2 -0.816 31.6-100.2-109.6 150.1 85.9 -12.1 4.1 60 87 A R T 3 S+ 0 0 152 -51,-0.7 -1,-0.1 -2,-0.3 5,-0.0 -0.239 105.4 41.4 -62.1 154.0 83.2 -12.8 6.7 61 88 A G T 3 S+ 0 0 69 4,-0.0 -1,-0.2 1,-0.0 7,-0.0 0.017 112.2 58.2 96.4 -30.3 84.4 -13.6 10.2 62 89 A S S < S+ 0 0 98 -3,-1.3 -2,-0.1 0, 0.0 -3,-0.1 0.159 97.5 61.3-116.6 18.4 87.0 -10.8 10.1 63 90 A M S S- 0 0 37 1,-0.1 -3,-0.1 -5,-0.1 2,-0.1 0.799 101.0-104.4-107.3 -66.7 84.6 -7.9 9.4 64 91 A V - 0 0 83 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 -0.404 40.5 -88.1 174.4 -89.9 82.1 -7.4 12.2 65 92 A G S > S+ 0 0 18 -2,-0.1 4,-3.4 -5,-0.0 5,-0.2 -0.133 105.5 32.6-170.6 -83.2 78.4 -8.5 12.0 66 93 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.969 117.1 54.4 -60.5 -55.7 75.7 -6.2 10.6 67 94 A F H > S+ 0 0 35 1,-0.2 4,-0.7 2,-0.2 5,-0.4 0.884 121.2 33.5 -47.9 -38.4 78.1 -4.4 8.1 68 95 A Q H 4>S+ 0 0 17 3,-0.2 5,-1.3 1,-0.2 6,-0.3 0.807 108.0 67.4 -88.7 -31.0 78.9 -7.9 6.7 69 96 A E H <5S+ 0 0 138 -4,-3.4 -2,-0.2 3,-0.2 -1,-0.2 0.854 111.7 35.2 -58.3 -31.5 75.4 -9.4 7.4 70 97 A A H X5S+ 0 0 27 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.1 0.911 124.5 32.6 -86.2 -81.2 74.0 -7.1 4.7 71 98 A A T ><5S+ 0 0 4 -4,-0.7 3,-1.7 2,-0.2 -3,-0.2 0.928 125.6 43.1 -40.0 -71.6 76.6 -6.6 1.9 72 99 A F T 345S+ 0 0 26 -5,-0.4 -1,-0.2 1,-0.3 -3,-0.2 0.939 118.5 44.1 -42.1 -62.6 78.1 -10.1 2.2 73 100 A A T 34 + 0 0 5 1,-0.3 3,-0.9 20,-0.3 21,-0.2 -0.367 45.8 56.7 111.6 166.9 77.6 -0.2 -4.2 79 106 A M T 3 S- 0 0 54 1,-0.2 -1,-0.3 -2,-0.1 -51,-0.1 -0.141 114.4 -43.9 65.9-169.3 76.9 3.4 -5.4 80 107 A D T 3 S+ 0 0 44 -52,-0.4 -1,-0.2 1,-0.2 -52,-0.1 0.319 140.0 54.0 -79.0 14.9 73.4 4.8 -5.5 81 108 A K S < S+ 0 0 167 -3,-0.9 -1,-0.2 5,-0.1 -2,-0.1 -0.263 74.0 148.5-141.5 52.2 72.2 1.5 -7.1 82 109 A P - 0 0 21 0, 0.0 -5,-0.1 0, 0.0 -6,-0.1 0.392 56.4 -58.5 -66.0-151.6 73.3 -1.3 -4.8 83 110 A V S S- 0 0 24 -8,-0.2 -6,-0.1 3,-0.1 -7,-0.0 0.110 79.7 -60.8 -78.9-160.6 71.4 -4.5 -4.3 84 111 A F S S+ 0 0 185 2,-0.1 -1,-0.0 -3,-0.1 -7,-0.0 0.917 123.2 65.6 -52.2 -44.1 67.8 -4.8 -3.2 85 112 A T S S- 0 0 54 1,-0.1 4,-0.0 -15,-0.1 -15,-0.0 0.248 97.4 -94.5 -62.0-161.7 68.7 -3.1 0.1 86 113 A D - 0 0 105 1,-0.1 12,-0.2 -5,-0.1 -1,-0.1 -0.893 17.1-125.2-122.0 153.3 69.8 0.5 0.3 87 114 A P S S+ 0 0 9 0, 0.0 2,-2.5 0, 0.0 11,-1.0 0.963 100.9 67.2 -60.2 -55.4 73.3 2.0 0.3 88 115 A P E S+C 97 0B 32 0, 0.0 9,-0.2 0, 0.0 2,-0.2 -0.389 75.8 172.2 -67.2 77.0 72.9 4.1 3.5 89 116 A V E -C 96 0B 21 7,-2.7 7,-2.6 -2,-2.5 2,-0.3 -0.621 25.0-134.3 -90.0 150.1 72.6 1.0 5.8 90 117 A K E +C 95 0B 150 -2,-0.2 5,-0.2 5,-0.2 -1,-0.0 -0.754 45.4 132.8-102.4 150.1 72.6 1.4 9.6 91 118 A T S S- 0 0 37 3,-0.6 -1,-0.1 -2,-0.3 4,-0.1 0.319 85.6 -29.9-159.8 -44.8 74.6 -0.7 12.0 92 119 A K S S+ 0 0 149 2,-0.4 3,-0.1 -26,-0.0 -2,-0.1 0.213 131.2 40.6-175.3 27.7 76.5 1.4 14.7 93 120 A F S S- 0 0 132 1,-0.5 2,-0.3 -75,-0.0 -75,-0.1 0.198 110.3 -84.3-170.1 25.1 77.3 4.8 13.3 94 121 A G S S- 0 0 22 -77,-0.1 -3,-0.6 2,-0.1 2,-0.6 -0.673 81.5 -25.8 98.2-155.6 74.3 6.1 11.2 95 122 A Y E - C 0 90B 93 -77,-0.3 -77,-1.3 -2,-0.3 2,-0.4 -0.846 63.0-177.9-100.4 124.5 73.7 5.1 7.5 96 123 A H E -BC 17 89B 6 -7,-2.6 -7,-2.7 -2,-0.6 2,-0.8 -0.921 28.1-122.5-120.9 146.8 76.8 4.2 5.5 97 124 A I E - C 0 88B 0 -81,-3.8 -81,-0.5 -2,-0.4 2,-0.5 -0.746 28.4-165.0 -89.8 110.2 76.9 3.3 1.7 98 125 A I - 0 0 7 -11,-1.0 2,-0.5 -2,-0.8 -20,-0.3 -0.792 4.4-168.7 -96.1 131.9 78.5 -0.2 1.4 99 126 A M - 0 0 10 -85,-2.1 2,-0.5 -2,-0.5 -21,-0.2 -0.848 1.3-171.5-123.5 99.8 79.7 -1.2 -2.1 100 127 A V + 0 0 0 -2,-0.5 -23,-3.5 -87,-0.2 -87,-0.3 -0.744 15.1 161.9 -89.6 128.8 80.6 -4.9 -2.6 101 128 A E + 0 0 98 -89,-2.1 -90,-0.1 -2,-0.5 -2,-0.0 -0.695 54.4 26.1-150.5 94.4 82.2 -5.6 -5.9 102 129 A G - 0 0 33 -2,-0.2 -1,-0.2 -91,-0.1 -89,-0.1 0.664 66.3-163.6 119.7 71.6 84.2 -8.8 -6.5 103 130 A R 0 0 114 -92,-0.3 -92,-0.3 -3,-0.1 -95,-0.1 -0.039 360.0 360.0 -70.4-174.9 83.2 -11.7 -4.3 104 131 A K 0 0 128 -94,-0.5 -95,-2.1 -97,-0.1 -96,-0.3 -0.599 360.0 360.0-133.4 360.0 85.5 -14.8 -3.9