==== 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 3R59 . 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) . 7251.0 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 . 0 0.0 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 . 13 7.9 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, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.3 20.8 14.1 42.3 2 45 A N - 0 0 37 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.317 360.0 -96.4 -62.2 143.6 18.8 14.5 39.0 3 46 A P - 0 0 17 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.310 27.9-152.2 -60.9 143.6 18.2 11.4 36.9 4 47 A L E +A 22 0A 48 18,-0.2 159,-2.9 16,-0.0 160,-1.5 -0.985 22.8 175.2-110.5 127.8 20.5 10.5 34.0 5 48 A V E -AB 21 162A 0 16,-2.5 16,-2.7 -2,-0.5 2,-0.3 -0.834 13.8-144.6-127.2 166.3 18.7 8.6 31.2 6 49 A Y E -AB 20 161A 48 155,-2.4 155,-1.6 -2,-0.3 2,-0.4 -0.964 10.0-161.4-135.6 152.5 19.7 7.3 27.8 7 50 A L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.997 10.7-156.8-126.5 124.1 18.4 6.7 24.3 8 51 A D E -AB 18 159A 31 151,-3.0 150,-1.7 -2,-0.4 151,-1.2 -0.912 21.9-160.4 -97.9 127.4 20.2 4.3 21.9 9 52 A V E -AB 17 157A 2 8,-2.2 7,-3.1 -2,-0.5 8,-0.8 -0.926 13.8-164.6-123.5 130.8 19.2 5.3 18.4 10 53 A D E -AB 15 156A 33 146,-2.9 146,-1.9 -2,-0.4 2,-0.4 -0.776 6.8-156.6 -99.3 152.1 19.3 3.4 15.0 11 54 A A E > S-AB 14 155A 7 3,-2.5 3,-1.4 -2,-0.3 144,-0.2 -0.988 84.8 -15.1-125.6 122.0 19.0 4.9 11.5 12 55 A N T 3 S- 0 0 94 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.893 131.4 -52.5 48.7 43.9 17.8 2.4 8.9 13 56 A G T 3 S+ 0 0 53 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.535 116.7 106.0 77.6 9.2 18.6 -0.4 11.3 14 57 A K E < S-A 11 0A 150 -3,-1.4 -3,-2.5 0, 0.0 -1,-0.2 -0.972 74.5-106.3-122.9 137.9 22.2 0.6 12.1 15 58 A P E -A 10 0A 94 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.345 26.4-177.5 -69.3 135.0 23.3 2.1 15.4 16 59 A L E - 0 0 41 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.632 51.0-109.4 -92.7 -24.1 24.2 5.8 15.6 17 60 A G E -A 9 0A 33 -8,-0.8 -8,-2.2 120,-0.1 2,-0.4 -0.874 44.8 -42.0 124.8-159.4 25.1 5.7 19.3 18 61 A R E -A 8 0A 85 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.902 29.8-156.2-120.3 135.5 23.7 6.9 22.6 19 62 A V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.956 15.9-159.8-105.0 123.4 22.1 10.2 23.7 20 63 A V E -AC 6 133A 5 113,-2.7 112,-2.8 -2,-0.5 113,-1.3 -0.911 9.5-166.9-106.0 131.3 22.4 10.8 27.5 21 64 A L E -AC 5 131A 0 -16,-2.7 -16,-2.5 -2,-0.5 2,-0.5 -0.961 16.7-145.9-122.9 132.9 20.0 13.3 29.1 22 65 A E E -AC 4 130A 37 108,-2.5 108,-1.6 -2,-0.4 2,-0.5 -0.872 19.0-148.0 -90.4 130.4 19.9 14.9 32.5 23 66 A L E - C 0 129A 0 -20,-2.5 2,-2.2 -2,-0.5 106,-0.3 -0.894 10.3-136.4-103.1 123.8 16.3 15.4 33.7 24 67 A K >> + 0 0 51 104,-2.7 4,-2.9 -2,-0.5 3,-1.4 -0.418 40.4 157.4 -84.3 68.0 15.9 18.5 35.9 25 68 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.710 68.3 67.9 -63.7 -23.2 13.7 16.9 38.6 26 69 A D T 34 S+ 0 0 112 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.812 116.0 24.9 -62.3 -31.4 14.8 19.8 40.9 27 70 A V T <4 S+ 0 0 38 -3,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.792 140.6 20.1-101.6 -41.8 12.8 22.2 38.8 28 71 A V X + 0 0 0 -4,-2.9 4,-2.8 100,-0.1 5,-0.3 -0.641 66.8 166.3-133.9 70.7 10.2 20.1 37.1 29 72 A P H > S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.862 76.7 48.6 -59.6 -38.5 9.8 16.9 39.2 30 73 A K H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.901 115.2 43.6 -71.0 -40.1 6.5 15.7 37.6 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.907 115.2 49.0 -71.3 -42.6 7.7 16.2 34.0 32 75 A A H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.918 110.2 51.7 -60.5 -43.6 11.1 14.6 34.8 33 76 A E H X S+ 0 0 66 -4,-2.2 4,-2.5 -5,-0.3 5,-0.2 0.898 107.2 52.8 -64.5 -41.8 9.5 11.6 36.5 34 77 A N H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.955 113.2 43.0 -54.9 -52.8 7.2 11.0 33.5 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.915 112.7 53.5 -64.1 -43.2 10.2 10.9 31.0 36 79 A R H X S+ 0 0 28 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.944 111.5 44.4 -55.5 -51.0 12.3 8.8 33.4 37 80 A A H X>S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 5,-0.7 0.828 109.9 55.0 -67.5 -33.2 9.7 6.1 33.8 38 81 A L H <5S+ 0 0 1 -4,-2.0 9,-1.9 -5,-0.2 10,-0.5 0.816 108.4 51.2 -69.0 -27.6 8.9 6.1 30.0 39 82 A C H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -3,-0.3 121,-0.2 0.903 114.3 40.8 -72.0 -43.7 12.7 5.4 29.5 40 83 A T H <5S- 0 0 51 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.771 96.9-141.1 -74.6 -25.7 12.8 2.5 31.9 41 84 A G T ><5 + 0 0 29 -4,-1.8 3,-2.3 -5,-0.2 -3,-0.2 0.604 51.8 145.0 73.2 14.6 9.4 1.1 30.7 42 85 A E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.652 63.5 57.1 -64.1 -19.4 8.6 0.3 34.3 43 86 A K T 3 S- 0 0 104 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.451 125.7 -97.3 -87.3 -2.1 4.9 1.0 33.9 44 87 A G S < S+ 0 0 71 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.494 100.6 56.4 99.0 5.3 4.6 -1.5 31.0 45 88 A F + 0 0 57 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.957 58.4 113.1-155.9 166.9 4.9 1.0 28.2 46 89 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 70.1 -38.9 156.9-161.0 7.4 3.7 27.0 47 90 A Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.2 0.644 81.0 118.8 -78.4 -19.3 9.8 4.8 24.4 48 91 A K T 3 S+ 0 0 135 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.275 87.6 8.9 -55.1 124.1 11.6 1.5 23.6 49 92 A G T 3 S+ 0 0 47 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.294 102.3 120.6 91.7 -7.8 11.0 0.7 19.9 50 93 A S < - 0 0 1 -3,-2.5 107,-3.1 107,-0.3 -1,-0.3 -0.237 52.1-121.8 -87.8 177.4 9.4 4.1 19.0 51 94 A T B -D 156 0A 12 14,-0.3 2,-0.9 105,-0.2 13,-0.8 -0.727 16.5-117.5-121.7 159.5 10.7 6.7 16.4 52 95 A F E +E 63 0A 3 103,-2.1 103,-0.5 -2,-0.2 11,-0.3 -0.909 44.0 172.0 -86.0 103.9 11.9 10.2 15.8 53 96 A H E + 0 0 33 -2,-0.9 2,-0.4 9,-0.7 98,-0.3 0.630 59.2 41.3 -95.4 -18.4 9.0 11.0 13.4 54 97 A R E +E 62 0A 99 8,-1.4 8,-3.0 96,-0.1 2,-0.4 -0.950 63.6 165.5-138.4 113.1 9.4 14.7 12.9 55 98 A V E -E 61 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.4 -0.994 10.5-174.6-135.9 123.0 12.9 16.2 12.4 56 99 A I E >> -E 60 0A 27 4,-2.6 3,-1.4 -2,-0.4 4,-1.3 -0.967 28.1-122.4-123.8 111.8 13.6 19.6 11.0 57 100 A P T 34 S+ 0 0 54 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.232 96.7 16.0 -54.3 141.4 17.2 20.7 10.3 58 101 A S T 34 S+ 0 0 85 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.713 129.2 55.0 62.4 26.8 18.4 23.8 12.2 59 102 A F T <4 S- 0 0 36 -3,-1.4 56,-2.5 1,-0.1 57,-0.7 0.289 103.2 -52.6-141.1 -78.9 15.4 23.4 14.6 60 103 A M E < -EF 56 114A 1 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.986 29.1-118.6-167.4 166.0 14.8 20.2 16.5 61 104 A C E -EF 55 113A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.4 -0.990 32.5-160.7-119.6 119.8 14.3 16.4 16.5 62 105 A Q E +EF 54 112A 16 -8,-3.0 -8,-1.4 -2,-0.5 -9,-0.7 -0.853 22.5 141.6-111.8 139.8 10.9 15.2 17.8 63 106 A A E +EF 52 111A 0 48,-2.6 48,-2.2 -2,-0.4 -11,-0.2 -0.779 23.7 95.6-149.5-173.6 10.0 11.7 19.1 64 107 A G + 0 0 0 -13,-0.8 2,-1.6 46,-0.3 -12,-0.1 0.447 40.6 129.0 99.5 1.9 8.0 9.9 21.7 65 108 A D > + 0 0 1 -14,-0.5 4,-1.3 1,-0.2 -14,-0.3 -0.653 23.2 162.0 -86.7 83.2 4.7 9.0 20.0 66 109 A F T 4 + 0 0 27 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.416 68.7 49.2 -87.5 2.4 4.9 5.3 21.0 67 110 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.802 130.4 10.4-102.5 -44.2 1.1 4.7 20.3 68 111 A N T 4 S- 0 0 84 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.526 80.0-146.1-114.2 -12.0 0.6 6.2 16.8 69 112 A H S < S+ 0 0 91 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.711 80.3 80.9 54.6 26.6 4.2 6.9 15.6 70 113 A N S S- 0 0 95 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.358 110.6 -90.2-143.3 3.8 3.1 9.9 13.7 71 114 A G S S+ 0 0 29 -6,-0.1 -2,-0.0 -17,-0.0 39,-0.0 0.417 107.0 88.3 99.3 -0.8 2.8 12.9 16.1 72 115 A T S S+ 0 0 89 -7,-0.1 2,-0.0 0, 0.0 -3,-0.0 0.626 86.3 43.6 -97.5 -16.7 -0.9 12.4 17.1 73 116 A G + 0 0 7 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 0.005 47.8 115.3-116.0-150.2 -0.4 10.1 20.0 74 117 A G - 0 0 7 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.174 37.4-140.9 97.4 161.5 1.5 9.1 23.2 75 118 A K - 0 0 83 -2,-0.1 5,-0.2 33,-0.1 2,-0.2 -0.975 9.8-125.3-154.4 154.8 0.5 9.0 26.8 76 119 A S - 0 0 3 3,-1.9 3,-0.5 -2,-0.3 33,-0.1 -0.467 30.3-108.6 -93.9 171.7 2.0 9.9 30.2 77 120 A I S S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.615 119.3 51.8 -71.8 -11.8 2.4 7.8 33.3 78 121 A Y S S- 0 0 108 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.628 128.2 -62.7 -95.3 -19.0 -0.3 9.9 34.9 79 122 A G S S- 0 0 38 -3,-0.5 -3,-1.9 1,-0.1 -1,-0.4 -0.934 77.0 -50.4 150.1-172.8 -3.0 9.6 32.2 80 123 A S S S+ 0 0 83 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.1 0.913 119.9 7.3 -66.3 -40.6 -3.4 10.6 28.6 81 124 A R - 0 0 101 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.942 64.4-164.3-139.0 155.7 -2.3 14.2 29.2 82 125 A F B -I 107 0B 14 25,-2.0 25,-1.6 -2,-0.3 3,-0.1 -0.969 29.7 -88.5-142.2 157.4 -0.9 16.3 32.1 83 126 A P - 0 0 87 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.133 44.1 -94.7 -62.9 158.4 -0.5 20.0 32.9 84 127 A D - 0 0 27 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.628 36.8-157.1 -65.2 117.1 2.4 22.4 32.0 85 128 A E - 0 0 46 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.958 57.6 -48.8 -70.7 -52.8 4.4 22.2 35.2 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.941 34.6-129.1-168.6 171.6 6.2 25.5 34.8 87 130 A F + 0 0 63 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.081 66.2 122.1-116.4 31.1 8.2 27.5 32.2 88 131 A T + 0 0 95 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.890 60.7 64.4 -68.4 -42.6 11.1 28.2 34.5 89 132 A L S S- 0 0 50 38,-0.4 38,-0.5 -3,-0.1 2,-0.2 -0.616 80.4-143.6 -80.7 142.6 13.8 26.6 32.2 90 133 A K - 0 0 97 -2,-0.3 2,-1.9 32,-0.1 3,-0.2 -0.669 23.7-106.8-111.0 161.0 14.3 28.3 28.8 91 134 A H + 0 0 1 -2,-0.2 27,-0.6 1,-0.2 31,-0.1 -0.584 54.6 162.4 -82.4 78.2 15.1 27.0 25.3 92 135 A V - 0 0 105 -2,-1.9 25,-0.2 25,-0.2 -1,-0.2 0.652 50.3 -53.7 -83.2 -19.2 18.6 28.4 25.6 93 136 A G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.987 85.0 -16.5 169.8-171.5 20.4 26.5 22.8 94 137 A P T 3 S+ 0 0 86 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.302 116.4 35.1 -57.0 141.9 21.3 23.2 21.2 95 138 A G T 3 S+ 0 0 5 19,-3.0 36,-1.8 1,-0.3 2,-0.2 0.278 76.9 143.3 96.7 -9.0 20.7 20.2 23.4 96 139 A V E < -G 130 0A 7 -3,-1.4 18,-2.6 34,-0.2 2,-0.5 -0.450 39.9-148.1 -65.5 134.9 17.6 21.4 25.2 97 140 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.3 -0.933 28.4 164.8-108.5 123.8 15.1 18.7 26.0 98 141 A S E -GH 127 112A 0 14,-2.4 14,-2.7 -2,-0.5 2,-0.4 -0.936 37.6-100.1-143.4 155.7 11.5 19.9 26.0 99 142 A M E - 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