==== 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 3R57 . 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) . 7297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 68.3 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 . 16 9.8 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 . 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 0 128 0, 0.0 3,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-177.6 20.8 14.0 42.2 2 45 A N - 0 0 34 1,-0.1 22,-0.1 20,-0.0 162,-0.0 -0.341 360.0 -96.7 -61.6 140.6 18.9 14.6 38.9 3 46 A P - 0 0 17 0, 0.0 20,-2.7 0, 0.0 2,-0.5 -0.298 28.6-151.2 -60.1 140.6 18.3 11.4 36.9 4 47 A L E +A 22 0A 48 18,-0.2 159,-2.9 -3,-0.1 160,-1.5 -0.984 23.8 176.1-107.1 124.8 20.6 10.5 34.0 5 48 A V E -AB 21 162A 0 16,-2.5 16,-2.9 -2,-0.5 2,-0.3 -0.828 14.1-144.2-124.1 165.5 18.8 8.6 31.3 6 49 A Y E -AB 20 161A 48 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.965 9.7-162.0-133.6 150.7 19.8 7.2 27.9 7 50 A L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.997 11.6-156.5-125.0 122.7 18.4 6.7 24.4 8 51 A D E -AB 18 159A 29 151,-3.3 150,-1.8 -2,-0.4 151,-1.1 -0.900 21.5-158.6 -97.3 125.6 20.2 4.3 22.0 9 52 A V E -AB 17 157A 2 8,-2.4 7,-3.4 -2,-0.5 8,-0.9 -0.914 15.0-167.9-120.7 130.1 19.4 5.2 18.4 10 53 A D E -AB 15 156A 33 146,-3.0 146,-1.7 -2,-0.4 2,-0.4 -0.760 7.7-157.5 -99.5 153.2 19.4 3.3 15.1 11 54 A A E > S-AB 14 155A 5 3,-2.5 3,-1.5 -2,-0.3 144,-0.2 -0.976 84.6 -16.4-128.9 121.2 19.0 4.8 11.6 12 55 A N T 3 S- 0 0 97 142,-2.2 143,-0.1 -2,-0.4 -1,-0.1 0.885 130.9 -52.5 47.3 44.5 17.9 2.2 9.0 13 56 A G T 3 S+ 0 0 58 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.514 116.4 109.9 77.2 7.1 18.8 -0.6 11.5 14 57 A K E < S-A 11 0A 161 -3,-1.5 -3,-2.5 0, 0.0 -1,-0.2 -0.963 73.3-109.8-117.0 132.5 22.4 0.6 12.1 15 58 A P E -A 10 0A 106 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.331 26.4-177.1 -66.6 133.1 23.4 2.1 15.5 16 59 A L E - 0 0 39 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.654 49.4-112.3 -92.6 -25.3 24.2 5.8 15.7 17 60 A G E -A 9 0A 33 -8,-0.9 -8,-2.4 120,-0.1 2,-0.4 -0.881 44.0 -39.6 123.7-157.6 25.2 5.7 19.3 18 61 A R E -A 8 0A 83 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.903 30.0-156.8-121.1 134.7 23.8 7.0 22.6 19 62 A V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.953 16.4-160.3-104.1 121.7 22.2 10.2 23.7 20 63 A V E -AC 6 133A 5 113,-2.8 112,-2.8 -2,-0.5 113,-1.3 -0.901 9.6-166.5-105.0 132.4 22.5 10.8 27.5 21 64 A L E -AC 5 131A 0 -16,-2.9 -16,-2.5 -2,-0.5 2,-0.5 -0.956 17.8-144.9-125.1 131.9 20.1 13.2 29.1 22 65 A E E -AC 4 130A 48 108,-2.5 108,-1.5 -2,-0.4 2,-0.6 -0.855 19.3-148.8 -88.0 128.4 20.0 15.0 32.5 23 66 A L E - C 0 129A 0 -20,-2.7 2,-2.4 -2,-0.5 106,-0.3 -0.888 11.3-136.2-101.2 121.2 16.4 15.3 33.7 24 67 A K >> + 0 0 45 104,-2.8 4,-3.0 -2,-0.6 3,-1.6 -0.392 40.5 157.7 -83.4 68.9 16.0 18.4 35.8 25 68 A A T 34 + 0 0 31 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.728 68.9 66.4 -61.7 -26.0 13.9 16.9 38.6 26 69 A D T 34 S+ 0 0 118 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.724 116.3 26.1 -68.2 -21.7 15.0 19.8 40.9 27 70 A V T <4 S+ 0 0 43 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.776 140.7 18.5-106.6 -43.7 13.0 22.2 38.7 28 71 A V X + 0 0 0 -4,-3.0 4,-2.9 100,-0.1 5,-0.2 -0.614 66.1 166.7-132.6 70.6 10.3 20.0 37.2 29 72 A P H > S+ 0 0 64 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 78.0 48.8 -57.6 -39.6 10.0 16.8 39.2 30 73 A K H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.896 115.5 42.9 -69.7 -40.4 6.7 15.7 37.7 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 115.8 49.1 -71.6 -42.5 7.9 16.2 34.1 32 75 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.915 109.6 52.0 -61.9 -45.0 11.2 14.6 34.8 33 76 A E H X S+ 0 0 65 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.890 107.0 53.6 -60.8 -42.5 9.6 11.6 36.5 34 77 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.952 112.6 42.6 -54.8 -53.4 7.4 11.0 33.5 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.909 113.0 53.6 -63.3 -42.9 10.3 10.9 31.1 36 79 A R H >X S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.2 3,-0.5 0.951 111.1 44.8 -55.3 -54.1 12.4 8.8 33.5 37 80 A A H 3X>S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 5,-0.7 0.835 110.2 54.9 -62.3 -36.1 9.7 6.1 33.9 38 81 A L H 3<5S+ 0 0 1 -4,-2.0 9,-2.0 -5,-0.2 10,-0.5 0.805 108.2 50.6 -68.4 -28.7 9.1 6.1 30.1 39 82 A C H <<5S+ 0 0 3 -4,-1.7 -2,-0.2 -3,-0.5 121,-0.2 0.898 115.1 40.7 -71.9 -43.4 12.8 5.4 29.5 40 83 A T H <5S- 0 0 50 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.786 97.4-141.6 -74.4 -27.8 12.9 2.5 32.0 41 84 A G T ><5 + 0 0 29 -4,-2.0 3,-2.2 -5,-0.2 -3,-0.2 0.597 51.1 145.5 74.2 15.0 9.5 1.2 30.8 42 85 A E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.658 62.8 58.4 -62.2 -20.7 8.7 0.3 34.4 43 86 A K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.488 125.6 -96.8 -85.5 -4.2 5.0 1.1 34.0 44 87 A G S < S+ 0 0 73 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.463 101.0 56.6 101.5 4.1 4.6 -1.5 31.2 45 88 A F + 0 0 57 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.961 58.3 111.6-155.3 166.0 5.0 1.1 28.3 46 89 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 69.7 -38.2 157.9-159.0 7.5 3.7 27.1 47 90 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 110,-0.2 0.670 80.6 118.1 -78.8 -21.9 10.0 4.8 24.5 48 91 A K T 3 S+ 0 0 144 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.247 88.0 8.6 -54.6 124.9 11.7 1.5 23.7 49 92 A G T 3 S+ 0 0 48 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.254 103.2 118.0 90.6 -11.4 11.1 0.6 20.0 50 93 A S < - 0 0 2 -3,-2.4 107,-3.0 107,-0.2 -1,-0.3 -0.169 53.2-122.7 -84.4-178.5 9.6 4.0 19.1 51 94 A T B -D 156 0A 14 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.768 17.8-114.6-128.0 159.6 10.8 6.5 16.6 52 95 A F E +E 63 0A 2 103,-2.0 103,-0.5 -2,-0.3 11,-0.3 -0.897 44.3 173.7 -86.3 102.6 12.0 10.1 15.9 53 96 A H E + 0 0 32 -2,-0.9 2,-0.4 9,-0.6 98,-0.4 0.624 59.6 39.1 -93.5 -17.9 9.0 10.8 13.6 54 97 A R E +E 62 0A 105 8,-1.3 8,-3.3 96,-0.1 2,-0.4 -0.953 63.0 168.3-140.6 116.1 9.6 14.5 12.9 55 98 A V E -E 61 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.3 -0.992 10.1-172.9-134.6 123.4 13.0 16.0 12.4 56 99 A I E >> -E 60 0A 28 4,-2.7 4,-1.4 -2,-0.4 3,-1.3 -0.957 26.6-125.9-121.1 112.0 13.6 19.6 11.1 57 100 A P T 34 S+ 0 0 53 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.240 95.6 17.8 -57.8 142.4 17.3 20.6 10.4 58 101 A S T 34 S+ 0 0 85 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.716 130.5 52.1 63.2 24.9 18.4 23.8 12.2 59 102 A F T <4 S- 0 0 40 -3,-1.3 56,-2.6 54,-0.1 57,-0.8 0.255 103.5 -47.4-142.6 -79.8 15.5 23.4 14.6 60 103 A M E < -EF 56 114A 4 -4,-1.4 -4,-2.7 54,-0.3 2,-0.5 -0.992 29.1-122.6-165.6 161.0 14.7 20.2 16.5 61 104 A C E -EF 55 113A 1 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.984 31.5-158.7-116.5 122.5 14.3 16.4 16.6 62 105 A Q E +EF 54 112A 16 -8,-3.3 -8,-1.3 -2,-0.5 -9,-0.6 -0.838 23.5 142.0-109.7 139.5 10.9 15.1 17.8 63 106 A A E +EF 52 111A 0 48,-2.7 48,-2.2 -2,-0.4 -11,-0.2 -0.768 25.1 93.9-149.4-171.7 10.1 11.7 19.3 64 107 A G + 0 0 0 -13,-0.7 2,-1.6 46,-0.3 -12,-0.1 0.407 43.5 127.6 97.0 -1.7 8.0 9.9 21.9 65 108 A D > + 0 0 1 -14,-0.4 4,-1.0 1,-0.2 -14,-0.3 -0.650 23.7 161.6 -85.6 83.3 4.8 9.0 20.1 66 109 A F T 4 + 0 0 28 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.419 68.5 48.2 -87.4 2.6 5.0 5.3 21.1 67 110 A T T 4 S+ 0 0 63 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.799 129.8 11.2-105.1 -44.2 1.3 4.7 20.3 68 111 A N T 4 S- 0 0 83 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.544 80.0-146.5-113.8 -14.9 0.7 6.2 16.8 69 112 A H S < S+ 0 0 90 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.723 80.4 80.8 56.9 27.6 4.3 6.9 15.7 70 113 A N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.347 111.2 -89.6-145.0 4.1 3.2 10.0 13.8 71 114 A G S S+ 0 0 30 -6,-0.1 39,-0.0 -17,-0.0 -8,-0.0 0.409 107.9 88.3 98.6 -0.4 2.8 12.9 16.3 72 115 A T S S+ 0 0 90 -7,-0.1 2,-0.0 30,-0.0 30,-0.0 0.585 86.0 44.6-100.0 -13.4 -0.8 12.4 17.2 73 116 A G + 0 0 5 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.057 48.7 109.0-118.0-151.5 -0.3 10.0 20.1 74 117 A G - 0 0 8 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.155 39.7-137.2 94.9 164.0 1.6 9.0 23.2 75 118 A K - 0 0 86 33,-0.1 5,-0.2 -2,-0.1 33,-0.1 -0.979 9.9-123.7-154.9 154.2 0.6 9.0 26.9 76 119 A S - 0 0 2 3,-1.7 3,-0.3 4,-0.4 33,-0.1 -0.414 30.4-109.8 -91.5 172.5 2.1 9.9 30.3 77 120 A I S S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.592 118.6 52.6 -75.2 -10.7 2.5 7.8 33.4 78 121 A Y S S- 0 0 111 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.650 128.3 -65.5 -95.5 -20.2 -0.2 9.9 35.1 79 122 A G S S- 0 0 38 -3,-0.3 -3,-1.7 1,-0.1 -1,-0.4 -0.930 78.5 -45.8 151.0-169.6 -2.9 9.5 32.4 80 123 A S S S+ 0 0 86 -2,-0.3 -4,-0.4 -5,-0.2 2,-0.3 0.931 120.4 3.2 -61.3 -46.6 -3.3 10.6 28.8 81 124 A R - 0 0 98 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.946 62.5-161.0-140.1 155.3 -2.1 14.2 29.4 82 125 A F B -I 107 0B 14 25,-2.0 25,-1.6 -2,-0.3 3,-0.1 -0.956 30.3 -90.6-138.4 157.5 -0.8 16.3 32.3 83 126 A P - 0 0 86 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.108 45.7 -91.5 -65.8 160.8 -0.4 20.1 33.0 84 127 A D - 0 0 25 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.642 37.1-157.3 -66.9 116.5 2.5 22.4 32.2 85 128 A E - 0 0 46 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.944 58.4 -49.0 -68.4 -52.5 4.5 22.2 35.4 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.941 34.7-129.0-169.6 171.7 6.3 25.5 34.9 87 130 A F + 0 0 62 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.053 66.4 121.4-117.5 31.3 8.2 27.4 32.3 88 131 A T + 0 0 96 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.905 60.1 65.4 -67.2 -46.2 11.2 28.2 34.5 89 132 A L S S- 0 0 38 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.582 80.5-144.1 -77.6 140.4 13.9 26.6 32.3 90 133 A K - 0 0 97 -2,-0.2 2,-1.9 32,-0.1 3,-0.2 -0.661 24.0-106.3-108.2 160.5 14.4 28.3 28.9 91 134 A H + 0 0 1 -2,-0.2 27,-0.6 1,-0.2 31,-0.1 -0.582 54.0 164.1 -81.3 77.9 15.2 27.0 25.4 92 135 A V - 0 0 106 -2,-1.9 25,-0.2 25,-0.2 -1,-0.2 0.669 50.2 -57.2 -79.5 -22.0 18.7 28.3 25.7 93 136 A G S > S- 0 0 8 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.988 84.7 -13.6 170.4-168.1 20.4 26.5 22.8 94 137 A P T 3 S+ 0 0 85 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.289 116.7 35.0 -57.2 142.4 21.3 23.2 21.2 95 138 A G T 3 S+ 0 0 6 19,-3.2 36,-1.6 1,-0.3 2,-0.2 0.258 77.5 144.0 96.8 -10.2 20.8 20.1 23.4 96 139 A V E < -G 130 0A 8 -3,-1.4 18,-2.6 34,-0.2 2,-0.5 -0.436 39.9-148.0 -64.4 130.7 17.7 21.4 25.3 97 140 A L E +GH 129 113A 0 32,-2.6 31,-2.5 16,-0.2 32,-1.3 -0.917 28.4 165.9-103.5 124.9 15.2 18.7 26.1 98 141 A S E -GH 127 112A 0 14,-2.5 14,-2.7 -2,-0.5 2,-0.4 -0.942 37.3-100.6-143.5 154.9 11.6 19.9 26.0 99 142 A M E - 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