==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 18-MAR-11 3R54 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE F, MITOCHONDR . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.COLLIANDRE,H.AHMED-BELKACEM,Y.BESSIN,J.M.PAWLOTSKY,J.F.GUI . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 67.7 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 . 51 31.1 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 1 0 0 1 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 . 3 0 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 44 A G 0 0 128 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.8 20.7 14.1 42.2 2 45 A N - 0 0 37 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.321 360.0-100.6 -62.0 141.6 18.9 14.6 38.9 3 46 A P - 0 0 15 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.309 24.9-148.9 -64.5 148.6 18.3 11.5 36.8 4 47 A L E +A 22 0A 39 18,-0.2 159,-2.9 16,-0.0 160,-1.5 -0.973 22.7 177.4-112.7 127.5 20.5 10.5 33.9 5 48 A V E -AB 21 162A 0 16,-2.6 16,-2.8 -2,-0.5 2,-0.3 -0.830 12.5-145.2-125.7 165.2 18.7 8.6 31.1 6 49 A Y E -AB 20 161A 48 155,-2.5 155,-1.7 -2,-0.3 2,-0.4 -0.968 10.4-162.8-134.7 151.3 19.7 7.3 27.7 7 50 A L E -AB 19 160A 0 12,-2.2 12,-2.9 -2,-0.3 2,-0.5 -0.995 11.2-156.4-127.7 126.2 18.4 6.7 24.2 8 51 A D E -AB 18 159A 29 151,-2.9 150,-1.8 -2,-0.4 151,-1.1 -0.911 21.5-160.7-100.8 124.2 20.2 4.4 21.8 9 52 A V E -AB 17 157A 1 8,-2.2 7,-3.3 -2,-0.5 8,-0.8 -0.932 13.9-167.3-120.8 128.6 19.2 5.3 18.2 10 53 A D E -AB 15 156A 31 146,-2.8 146,-2.0 -2,-0.4 2,-0.4 -0.770 8.4-154.9 -98.7 152.1 19.4 3.5 14.9 11 54 A A E > S-AB 14 155A 7 3,-2.4 3,-1.4 -2,-0.3 144,-0.2 -0.994 84.2 -14.0-124.5 126.4 19.0 5.0 11.4 12 55 A N T 3 S- 0 0 96 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.897 132.4 -51.9 43.4 47.6 17.9 2.5 8.8 13 56 A G T 3 S+ 0 0 53 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.558 116.3 104.1 78.2 8.8 18.7 -0.4 11.2 14 57 A K E < S-A 11 0A 150 -3,-1.4 -3,-2.4 0, 0.0 -1,-0.2 -0.979 75.0-103.9-126.4 142.7 22.3 0.6 12.1 15 58 A P E -A 10 0A 104 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.342 26.7-177.7 -72.6 135.5 23.3 2.1 15.4 16 59 A L E - 0 0 42 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.630 51.4-108.6 -90.5 -26.1 24.2 5.8 15.6 17 60 A G E -A 9 0A 32 -8,-0.8 -8,-2.2 120,-0.1 -1,-0.4 -0.880 44.9 -44.4 125.4-161.7 25.2 5.7 19.2 18 61 A R E -A 8 0A 86 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.905 30.1-154.8-119.0 138.2 23.7 6.9 22.5 19 62 A V E -A 7 0A 0 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.5 -0.951 15.9-158.7-106.3 123.8 22.1 10.2 23.6 20 63 A V E -AC 6 133A 5 113,-2.7 112,-3.0 -2,-0.5 113,-1.2 -0.922 9.2-166.9-105.2 130.1 22.4 10.8 27.4 21 64 A L E -AC 5 131A 0 -16,-2.8 -16,-2.6 -2,-0.5 2,-0.5 -0.943 15.1-148.3-121.3 134.6 20.0 13.3 28.9 22 65 A E E -AC 4 130A 65 108,-2.5 108,-1.5 -2,-0.4 2,-0.5 -0.915 19.8-146.6 -97.9 127.0 20.0 14.9 32.4 23 66 A L E - C 0 129A 0 -20,-2.5 2,-2.2 -2,-0.5 106,-0.3 -0.827 10.0-134.9-101.1 128.2 16.4 15.5 33.6 24 67 A K >> + 0 0 68 104,-2.7 4,-3.0 -2,-0.5 3,-1.1 -0.439 40.5 157.9 -84.9 68.8 15.8 18.6 35.8 25 68 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.736 69.3 63.6 -66.2 -20.9 13.7 16.9 38.5 26 69 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.818 116.4 28.7 -69.0 -28.2 14.6 19.7 40.9 27 70 A V T <4 S+ 0 0 39 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.814 140.2 17.2 -99.2 -42.5 12.8 22.2 38.7 28 71 A V X + 0 0 0 -4,-3.0 4,-2.8 100,-0.1 5,-0.3 -0.630 67.8 166.6-133.8 70.9 10.1 20.1 37.0 29 72 A P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.865 76.4 48.4 -60.6 -37.3 9.8 16.9 39.0 30 73 A K H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.896 115.0 44.0 -71.7 -40.3 6.5 15.7 37.4 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.913 114.9 49.3 -70.5 -42.4 7.7 16.2 33.9 32 75 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 -8,-0.2 -2,-0.2 0.904 110.0 51.8 -59.8 -43.5 11.1 14.6 34.6 33 76 A E H X S+ 0 0 66 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.899 106.2 53.2 -64.2 -43.5 9.5 11.6 36.3 34 77 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.957 112.7 44.2 -53.9 -52.4 7.2 10.9 33.3 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.926 112.0 52.9 -59.9 -46.0 10.2 10.9 30.9 36 79 A R H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.949 111.7 45.2 -54.1 -53.0 12.4 8.8 33.3 37 80 A A H X>S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.7 0.837 109.6 54.4 -66.2 -32.6 9.7 6.1 33.6 38 81 A L H <5S+ 0 0 1 -4,-2.1 9,-1.9 -5,-0.2 10,-0.5 0.808 108.6 51.4 -70.6 -28.1 9.0 6.1 29.8 39 82 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -3,-0.3 121,-0.2 0.913 114.5 40.8 -71.5 -43.4 12.7 5.4 29.3 40 83 A T H <5S- 0 0 52 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.782 97.4-140.9 -74.5 -25.3 12.8 2.5 31.7 41 84 A G T ><5 + 0 0 28 -4,-1.9 3,-2.5 -5,-0.2 -3,-0.2 0.587 51.4 145.5 77.8 11.1 9.5 1.2 30.5 42 85 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.636 63.4 57.8 -64.7 -18.0 8.6 0.3 34.1 43 86 A K T 3 S- 0 0 105 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.476 125.2 -97.9 -86.3 -0.6 4.9 1.0 33.7 44 87 A G S < S+ 0 0 74 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.476 101.0 58.1 99.3 5.0 4.6 -1.5 30.8 45 88 A F + 0 0 55 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.950 58.5 109.8-155.1 165.7 4.9 1.0 28.0 46 89 A G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.988 70.8 -38.2 154.5-159.6 7.4 3.7 26.9 47 90 A Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.2 0.632 81.0 117.7 -80.5 -18.2 9.9 4.8 24.3 48 91 A K T 3 S+ 0 0 134 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.280 88.2 10.3 -56.6 129.1 11.6 1.5 23.5 49 92 A G T 3 S+ 0 0 47 108,-2.9 -1,-0.3 1,-0.3 109,-0.1 0.317 103.2 118.7 89.6 -10.5 11.1 0.7 19.8 50 93 A S < - 0 0 1 -3,-2.5 107,-3.2 107,-0.3 -1,-0.3 -0.186 52.3-121.9 -88.5-178.1 9.5 4.1 18.9 51 94 A T B -D 156 0A 18 14,-0.3 2,-0.9 105,-0.3 13,-0.7 -0.777 17.0-116.4-125.7 160.1 10.8 6.6 16.4 52 95 A F E +E 63 0A 2 103,-2.0 103,-0.5 -2,-0.3 11,-0.3 -0.895 43.6 173.1 -86.7 104.8 11.9 10.2 15.7 53 96 A H E + 0 0 33 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.614 59.1 38.9 -96.4 -16.5 9.0 10.9 13.4 54 97 A R E +E 62 0A 100 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.956 63.2 166.3-141.3 116.0 9.5 14.7 12.7 55 98 A V E -E 61 0A 0 94,-2.3 91,-2.0 -2,-0.4 94,-0.4 -0.994 11.2-172.4-138.5 125.1 13.0 16.2 12.3 56 99 A I E >> -E 60 0A 28 4,-2.5 3,-1.4 -2,-0.4 4,-1.3 -0.977 27.8-122.5-123.5 113.6 13.7 19.7 10.9 57 100 A P T 34 S+ 0 0 54 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.271 96.8 16.3 -55.8 141.7 17.3 20.7 10.2 58 101 A S T 34 S+ 0 0 87 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.716 129.2 55.3 63.3 27.2 18.5 23.8 12.0 59 102 A F T <4 S- 0 0 40 -3,-1.4 56,-2.6 1,-0.1 57,-0.7 0.285 102.9 -53.2-143.0 -79.6 15.5 23.4 14.4 60 103 A M E < -EF 56 114A 2 -4,-1.3 -4,-2.5 54,-0.3 2,-0.5 -0.987 29.3-118.0-167.3 164.9 14.8 20.2 16.4 61 104 A C E -EF 55 113A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.4 -0.991 31.8-159.3-118.4 123.7 14.3 16.5 16.4 62 105 A Q E +EF 54 112A 16 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.6 -0.843 23.4 141.4-111.8 139.1 10.9 15.2 17.7 63 106 A A E +EF 52 111A 0 48,-2.5 48,-2.1 -2,-0.4 -11,-0.2 -0.747 24.1 96.3-149.3-170.5 10.1 11.8 19.0 64 107 A G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 3,-0.1 0.372 42.6 127.0 96.8 1.6 8.0 10.0 21.7 65 108 A D > + 0 0 1 -14,-0.4 4,-1.1 1,-0.2 -14,-0.3 -0.649 24.0 160.8 -88.8 81.4 4.8 9.0 19.9 66 109 A F T 4 + 0 0 25 -2,-1.7 -1,-0.2 1,-0.1 -20,-0.1 0.454 67.7 48.4 -85.1 1.7 5.0 5.4 20.9 67 110 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.825 129.7 11.7-105.5 -43.5 1.3 4.7 20.2 68 111 A N T 4 S- 0 0 85 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.494 81.9-144.3-112.2 -11.6 0.7 6.2 16.7 69 112 A H S < S+ 0 0 92 -4,-1.1 -3,-0.1 1,-0.1 -5,-0.0 0.720 80.4 79.9 57.2 26.5 4.3 6.9 15.6 70 113 A N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.408 110.5 -88.7-143.7 4.7 3.2 10.1 13.7 71 114 A G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.319 108.7 86.6 101.4 -8.5 2.8 13.0 16.1 72 115 A T S S+ 0 0 91 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.629 87.1 43.7 -93.6 -13.9 -0.9 12.4 17.0 73 116 A G + 0 0 6 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 0.044 49.5 113.8-116.8-147.8 -0.4 10.0 19.9 74 117 A G - 0 0 8 34,-0.1 2,-0.3 -9,-0.1 -9,-0.1 -0.031 38.2-142.1 91.7 158.1 1.6 9.1 23.0 75 118 A K - 0 0 83 33,-0.1 5,-0.2 -2,-0.1 33,-0.1 -0.972 10.6-125.1-149.8 151.5 0.4 9.0 26.7 76 119 A S B > -I 79 0B 3 3,-1.8 3,-0.5 -2,-0.3 33,-0.1 -0.428 30.2-109.0 -86.6 169.9 2.0 9.9 30.0 77 120 A I T 3 S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.629 119.2 51.9 -72.3 -10.8 2.5 7.7 33.0 78 121 A Y T 3 S- 0 0 109 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.623 129.0 -60.1 -95.9 -17.9 -0.3 9.8 34.8 79 122 A G B < S-I 76 0B 37 -3,-0.5 -3,-1.8 1,-0.1 -1,-0.4 -0.925 77.1 -53.3 150.7-176.4 -3.0 9.6 32.1 80 123 A S S S+ 0 0 81 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.3 0.918 119.3 7.3 -64.8 -42.3 -3.3 10.6 28.4 81 124 A R - 0 0 94 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.930 64.6-164.8-138.0 157.1 -2.2 14.2 29.0 82 125 A F B -J 107 0C 14 25,-1.9 25,-1.7 -2,-0.3 3,-0.1 -0.962 29.5 -87.6-143.6 159.4 -0.9 16.3 31.9 83 126 A P - 0 0 86 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.183 43.9 -94.6 -65.9 163.6 -0.5 20.0 32.7 84 127 A D - 0 0 28 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.615 36.3-158.5 -70.2 118.5 2.4 22.4 31.9 85 128 A E - 0 0 47 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.962 57.6 -48.2 -73.0 -51.4 4.4 22.2 35.1 86 129 A N - 0 0 42 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.951 34.8-129.2-169.5 171.2 6.2 25.5 34.7 87 130 A F + 0 0 63 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.033 65.5 122.9-117.8 33.4 8.2 27.5 32.1 88 131 A T + 0 0 94 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.888 60.3 64.0 -67.6 -44.6 11.2 28.2 34.3 89 132 A L S S- 0 0 48 38,-0.4 38,-0.5 -3,-0.1 2,-0.2 -0.606 80.2-144.0 -80.0 142.5 13.8 26.6 32.1 90 133 A K - 0 0 97 -2,-0.2 2,-1.8 32,-0.1 3,-0.2 -0.667 23.5-106.0-112.0 161.6 14.3 28.3 28.7 91 134 A H + 0 0 1 -2,-0.2 27,-0.8 27,-0.2 31,-0.1 -0.589 54.7 162.5 -83.1 77.4 15.1 27.0 25.2 92 135 A V - 0 0 93 -2,-1.8 25,-0.3 25,-0.2 -1,-0.2 0.672 50.0 -56.3 -82.6 -19.6 18.6 28.4 25.4 93 136 A G S > S- 0 0 8 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.987 85.1 -13.3 168.6-170.0 20.4 26.5 22.6 94 137 A P T 3 S+ 0 0 72 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.233 115.9 34.4 -56.8 142.1 21.3 23.2 21.1 95 138 A G T 3 S+ 0 0 1 19,-3.0 36,-1.9 1,-0.3 2,-0.1 0.285 77.1 144.2 95.9 -7.4 20.8 20.2 23.3 96 139 A V E < -G 130 0A 1 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.452 39.0-149.2 -65.0 133.9 17.6 21.4 25.1 97 140 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.3 -0.944 28.3 163.8-108.3 123.3 15.1 18.7 25.9 98 141 A S E -GH 127 112A 0 14,-2.2 14,-2.5 -2,-0.5 2,-0.4 -0.929 38.2-100.7-143.6 154.1 11.5 20.0 25.9 99 142 A M E - 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