==== 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 3R56 . 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) . 7273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.5 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 . 49 29.9 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 . 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 . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 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 . 2 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 0 127 0, 0.0 3,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-170.1 20.6 13.9 42.0 2 45 A N - 0 0 37 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.296 360.0 -97.3 -62.6 144.7 18.7 14.4 38.7 3 46 A P - 0 0 17 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.338 28.2-152.7 -63.1 143.8 18.1 11.3 36.6 4 47 A L E +A 22 0A 48 18,-0.2 159,-2.8 -3,-0.1 160,-1.6 -0.986 22.2 176.0-110.1 130.0 20.3 10.5 33.7 5 48 A V E -AB 21 162A 0 16,-2.4 16,-2.8 -2,-0.5 2,-0.3 -0.856 14.1-142.9-129.6 164.4 18.6 8.5 30.9 6 49 A Y E -AB 20 161A 47 155,-2.3 155,-1.5 -2,-0.3 2,-0.4 -0.953 9.4-161.9-133.0 151.7 19.7 7.2 27.5 7 50 A L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.995 10.7-157.3-126.7 121.8 18.3 6.7 24.0 8 51 A D E -AB 18 159A 30 151,-3.0 150,-1.6 -2,-0.4 151,-1.2 -0.909 21.3-160.0 -96.5 126.9 20.1 4.3 21.6 9 52 A V E -AB 17 157A 2 8,-2.2 7,-3.3 -2,-0.5 8,-0.9 -0.925 14.1-164.5-123.0 129.7 19.1 5.3 18.0 10 53 A D E -AB 15 156A 33 146,-2.9 146,-1.6 -2,-0.4 2,-0.4 -0.748 5.8-158.6 -97.0 152.3 19.2 3.4 14.7 11 54 A A E > S-AB 14 155A 6 3,-2.6 3,-1.3 -2,-0.3 144,-0.2 -0.969 83.6 -16.4-128.7 118.5 19.0 5.0 11.3 12 55 A N T 3 S- 0 0 93 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.900 130.5 -51.6 51.0 45.2 17.9 2.4 8.6 13 56 A G T 3 S+ 0 0 61 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.470 117.8 104.7 79.9 3.1 18.7 -0.5 10.9 14 57 A K E < S-A 11 0A 161 -3,-1.3 -3,-2.6 0, 0.0 -1,-0.2 -0.959 75.0-108.4-120.1 136.4 22.3 0.6 11.7 15 58 A P E -A 10 0A 107 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.360 24.7-175.8 -69.7 134.7 23.3 2.2 15.1 16 59 A L E - 0 0 39 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.657 51.1-110.9 -91.8 -24.9 24.1 5.9 15.3 17 60 A G E -A 9 0A 33 -8,-0.9 -8,-2.2 120,-0.1 2,-0.4 -0.887 44.7 -40.4 126.0-158.1 25.0 5.7 19.0 18 61 A R E -A 8 0A 87 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.903 31.1-156.6-118.7 135.0 23.6 6.9 22.3 19 62 A V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.958 16.0-159.9-103.9 123.1 22.0 10.2 23.4 20 63 A V E -AC 6 133A 6 113,-2.7 112,-2.9 -2,-0.5 113,-1.3 -0.916 9.2-166.7-105.0 130.7 22.3 10.7 27.2 21 64 A L E -AC 5 131A 0 -16,-2.8 -16,-2.4 -2,-0.5 2,-0.5 -0.948 16.7-145.4-121.1 134.2 19.9 13.2 28.7 22 65 A E E -AC 4 130A 37 108,-2.4 108,-1.5 -2,-0.4 2,-0.6 -0.875 19.0-148.2 -89.9 129.7 19.8 14.9 32.1 23 66 A L E - C 0 129A 0 -20,-2.6 2,-2.3 -2,-0.5 106,-0.3 -0.892 10.7-136.3-101.2 122.6 16.2 15.3 33.4 24 67 A K >> + 0 0 48 104,-2.6 4,-2.9 -2,-0.6 3,-1.3 -0.417 40.6 157.7 -82.0 69.0 15.8 18.4 35.5 25 68 A A T 34 + 0 0 30 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.704 68.1 68.7 -63.1 -23.3 13.7 16.8 38.2 26 69 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.823 115.9 23.6 -62.2 -32.5 14.8 19.6 40.6 27 70 A V T <4 S+ 0 0 39 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.785 140.7 21.2-103.2 -40.0 12.7 22.1 38.5 28 71 A V X + 0 0 0 -4,-2.9 4,-2.8 100,-0.1 5,-0.2 -0.615 66.5 165.0-132.7 71.3 10.1 19.9 36.8 29 72 A P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.848 76.6 48.9 -61.7 -36.5 9.8 16.7 38.8 30 73 A K H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.894 115.3 43.7 -71.1 -39.7 6.5 15.5 37.3 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 115.3 48.7 -70.9 -43.2 7.7 16.0 33.7 32 75 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.911 109.9 52.4 -60.2 -44.6 11.1 14.5 34.5 33 76 A E H X S+ 0 0 65 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.891 107.2 52.4 -62.5 -41.4 9.4 11.4 36.2 34 77 A N H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.960 113.1 43.4 -55.8 -53.0 7.2 10.8 33.1 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.905 112.7 53.0 -63.2 -43.2 10.1 10.8 30.7 36 79 A R H X S+ 0 0 26 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.939 111.5 44.7 -56.0 -51.5 12.3 8.7 33.1 37 80 A A H X>S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.7 0.831 110.3 54.8 -66.6 -33.4 9.6 6.0 33.4 38 81 A L H <5S+ 0 0 1 -4,-2.1 9,-2.0 -5,-0.2 10,-0.5 0.809 107.9 51.5 -69.2 -28.7 8.9 6.0 29.7 39 82 A C H <5S+ 0 0 3 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.896 114.9 40.3 -70.9 -42.9 12.6 5.3 29.1 40 83 A T H <5S- 0 0 53 -4,-1.9 -2,-0.2 121,-0.2 -1,-0.2 0.749 96.5-141.4 -76.3 -26.0 12.7 2.3 31.5 41 84 A G T ><5 + 0 0 29 -4,-1.9 3,-2.1 -5,-0.2 -3,-0.2 0.609 52.4 143.5 74.4 14.4 9.3 1.0 30.3 42 85 A E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.645 62.5 58.3 -66.8 -17.6 8.5 0.1 33.9 43 86 A K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.447 126.9 -94.5 -87.7 -1.8 4.8 1.0 33.6 44 87 A G S < S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.461 101.8 53.6 101.5 4.4 4.3 -1.5 30.8 45 88 A F + 0 0 58 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.971 58.1 118.4-158.5 164.2 4.9 0.9 27.9 46 89 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.994 67.7 -42.7 163.7-160.6 7.4 3.5 26.7 47 90 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 110,-0.2 0.625 80.5 119.5 -78.7 -17.2 9.8 4.7 24.1 48 91 A K T 3 S+ 0 0 132 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.306 88.1 8.3 -56.8 123.5 11.5 1.4 23.2 49 92 A G T 3 S+ 0 0 45 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.294 102.0 121.2 91.1 -8.5 10.9 0.7 19.5 50 93 A S < - 0 0 0 -3,-2.4 107,-3.2 107,-0.3 -1,-0.3 -0.278 51.9-124.1 -85.8 174.9 9.3 4.1 18.7 51 94 A T B -D 156 0A 24 14,-0.3 2,-0.9 105,-0.2 13,-0.9 -0.702 17.0-115.0-120.8 160.6 10.6 6.6 16.2 52 95 A F E +E 63 0A 2 103,-2.2 103,-0.4 -2,-0.2 11,-0.3 -0.903 44.3 171.1 -85.9 103.9 11.8 10.1 15.5 53 96 A H E + 0 0 32 -2,-0.9 2,-0.4 9,-0.6 98,-0.4 0.639 59.5 42.9 -94.6 -19.1 8.8 10.9 13.2 54 97 A R E +E 62 0A 94 8,-1.5 8,-3.2 96,-0.1 2,-0.4 -0.951 62.8 164.0-136.9 110.6 9.3 14.7 12.8 55 98 A V E -E 61 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.4 -0.986 10.5-175.5-134.3 121.2 12.8 16.1 12.1 56 99 A I E >> -E 60 0A 26 4,-2.6 3,-1.3 -2,-0.4 4,-1.3 -0.966 28.5-121.4-122.0 114.6 13.4 19.7 10.8 57 100 A P T 34 S+ 0 0 57 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.239 96.8 14.4 -56.1 141.0 17.0 20.8 10.0 58 101 A S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.751 130.0 54.9 60.1 29.5 18.1 23.9 12.0 59 102 A F T <4 S- 0 0 34 -3,-1.3 56,-2.4 1,-0.1 57,-0.8 0.245 103.0 -46.3-143.6 -78.2 15.2 23.5 14.3 60 103 A M E < -EF 56 114A 3 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.991 28.5-124.1-164.5 162.0 14.5 20.2 16.2 61 104 A C E -EF 55 113A 0 52,-2.3 52,-2.2 -2,-0.3 2,-0.4 -0.985 33.1-162.9-118.8 119.7 14.2 16.4 16.3 62 105 A Q E +EF 54 112A 14 -8,-3.2 -8,-1.5 -2,-0.5 -9,-0.6 -0.854 20.7 143.0-113.7 138.8 10.9 15.1 17.6 63 106 A A E +EF 52 111A 0 48,-2.6 48,-2.2 -2,-0.4 -11,-0.2 -0.778 23.8 96.1-148.1-175.3 10.0 11.6 18.8 64 107 A G + 0 0 0 -13,-0.9 2,-1.5 46,-0.3 3,-0.1 0.424 39.6 128.6 104.1 1.1 7.9 9.8 21.4 65 108 A D > + 0 0 1 -14,-0.4 4,-1.3 1,-0.2 -14,-0.3 -0.655 22.4 161.2 -86.0 83.9 4.6 8.8 19.7 66 109 A F T 4 + 0 0 27 -2,-1.5 -1,-0.2 2,-0.2 -20,-0.1 0.451 69.2 50.0 -87.3 0.3 4.8 5.2 20.7 67 110 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.827 130.7 9.9 -99.0 -48.1 1.0 4.6 20.1 68 111 A N T 4 S- 0 0 83 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.545 78.8-147.4-111.3 -13.6 0.5 6.1 16.6 69 112 A H S < S+ 0 0 93 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.655 80.7 83.3 54.6 20.1 4.1 6.7 15.4 70 113 A N S S- 0 0 98 -16,-0.0 -1,-0.1 -19,-0.0 -4,-0.1 0.431 109.1 -94.5-131.7 -3.7 2.9 9.7 13.4 71 114 A G S S+ 0 0 27 -6,-0.1 39,-0.0 -17,-0.0 -2,-0.0 0.392 106.1 87.9 103.4 -1.1 2.7 12.6 15.9 72 115 A T S S+ 0 0 89 -7,-0.1 2,-0.0 30,-0.0 30,-0.0 0.626 86.9 46.2 -96.4 -17.0 -0.9 12.4 16.9 73 116 A G + 0 0 8 -8,-0.1 36,-0.3 2,-0.0 37,-0.3 0.048 49.1 114.3-112.8-149.6 -0.5 9.9 19.7 74 117 A G - 0 0 6 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.133 38.3-141.7 94.9 161.0 1.5 9.0 22.8 75 118 A K - 0 0 82 33,-0.1 5,-0.2 -2,-0.1 33,-0.2 -0.980 9.3-123.3-155.9 154.5 0.5 8.9 26.5 76 119 A S - 0 0 2 3,-1.9 3,-0.3 -2,-0.3 33,-0.1 -0.419 30.8-108.7 -93.6 172.6 1.9 9.8 29.9 77 120 A I S S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.576 119.4 51.1 -73.8 -9.2 2.4 7.6 32.9 78 121 A Y S S- 0 0 109 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.639 128.0 -59.8 -98.4 -20.9 -0.4 9.7 34.6 79 122 A G S S- 0 0 38 -3,-0.3 -3,-1.9 1,-0.1 -1,-0.4 -0.942 77.1 -52.0 156.2-171.1 -3.1 9.4 31.9 80 123 A S S S+ 0 0 84 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.1 0.900 120.0 7.3 -67.4 -39.3 -3.4 10.4 28.3 81 124 A R - 0 0 97 -6,-0.1 27,-0.2 27,-0.1 -1,-0.1 -0.943 64.7-163.7-139.2 156.6 -2.3 14.0 28.9 82 125 A F B -I 107 0B 14 25,-2.1 25,-1.8 -2,-0.3 3,-0.1 -0.973 29.0 -89.6-142.9 159.1 -0.9 16.1 31.7 83 126 A P - 0 0 84 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.130 43.4 -94.6 -67.2 159.9 -0.5 19.9 32.6 84 127 A D - 0 0 24 1,-0.2 3,-0.1 41,-0.0 41,-0.0 -0.646 36.4-158.1 -67.0 116.3 2.3 22.2 31.8 85 128 A E - 0 0 46 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.956 58.4 -48.0 -69.2 -53.2 4.3 22.0 35.0 86 129 A N - 0 0 41 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.947 35.2-129.0-167.8 172.2 6.1 25.3 34.6 87 130 A F + 0 0 62 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.074 66.0 121.6-117.4 31.4 8.0 27.3 32.0 88 131 A T + 0 0 92 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.903 60.3 65.2 -68.0 -45.2 11.1 28.1 34.2 89 132 A L S S- 0 0 52 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.599 80.7-144.5 -78.0 141.3 13.7 26.5 31.9 90 133 A K - 0 0 97 -2,-0.3 2,-1.8 32,-0.1 3,-0.2 -0.668 23.3-106.7-110.4 160.7 14.2 28.2 28.6 91 134 A H + 0 0 1 -2,-0.2 27,-0.4 1,-0.2 31,-0.1 -0.600 55.3 159.9 -82.4 80.6 14.9 27.1 25.0 92 135 A V - 0 0 104 -2,-1.8 25,-0.2 25,-0.2 -1,-0.2 0.648 51.8 -49.1 -87.5 -19.6 18.5 28.5 25.3 93 136 A G S > S- 0 0 10 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.987 84.8 -21.9 173.1-172.6 20.3 26.6 22.5 94 137 A P T 3 S+ 0 0 86 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.327 116.0 37.1 -58.7 139.4 21.1 23.3 20.8 95 138 A G T 3 S+ 0 0 7 19,-3.1 36,-1.9 1,-0.3 2,-0.1 0.255 76.8 142.2 101.4 -10.0 20.7 20.2 23.1 96 139 A V E < -G 130 0A 10 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.442 41.0-147.7 -64.5 134.1 17.6 21.5 25.0 97 140 A L E +GH 129 113A 0 32,-2.6 31,-2.4 16,-0.2 32,-1.1 -0.938 28.6 165.0-107.2 124.1 15.0 18.7 25.7 98 141 A S E -GH 127 112A 0 14,-2.5 14,-2.7 -2,-0.5 2,-0.4 -0.945 37.5-101.2-143.7 154.1 11.4 19.9 25.7 99 142 A M E - 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