==== 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 01-APR-11 3RDB . 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) . 7197.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.9 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 . 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, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.6 20.6 13.9 42.1 2 45 A N - 0 0 36 1,-0.1 22,-0.1 20,-0.0 0, 0.0 -0.351 360.0 -99.8 -64.3 142.4 18.8 14.4 38.9 3 46 A P - 0 0 17 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.293 27.1-152.7 -61.0 144.8 18.2 11.3 36.7 4 47 A L E +A 22 0A 47 18,-0.2 159,-2.8 16,-0.0 160,-1.6 -0.983 21.9 176.5-110.9 130.1 20.4 10.5 33.8 5 48 A V E -AB 21 162A 0 16,-2.5 16,-2.8 -2,-0.5 2,-0.3 -0.853 13.9-143.0-128.7 168.1 18.7 8.5 31.1 6 49 A Y E -AB 20 161A 47 155,-2.4 155,-1.8 -2,-0.3 2,-0.4 -0.962 9.7-162.5-135.9 148.9 19.7 7.2 27.6 7 50 A L E -AB 19 160A 0 12,-2.5 12,-3.0 -2,-0.3 2,-0.5 -0.998 11.7-156.9-123.5 122.7 18.3 6.6 24.1 8 51 A D E -AB 18 159A 31 151,-3.0 150,-1.8 -2,-0.4 151,-1.2 -0.917 21.5-160.9 -96.9 128.1 20.1 4.3 21.7 9 52 A V E -AB 17 157A 2 8,-2.3 7,-3.1 -2,-0.5 8,-0.9 -0.932 15.1-166.4-123.9 132.1 19.1 5.2 18.2 10 53 A D E -AB 15 156A 32 146,-2.9 146,-1.7 -2,-0.4 2,-0.4 -0.757 7.9-156.0 -99.4 155.6 19.3 3.4 14.9 11 54 A A E > S-AB 14 155A 7 3,-2.5 3,-1.5 -2,-0.3 144,-0.2 -0.987 85.0 -13.8-128.2 122.6 18.9 4.9 11.4 12 55 A N T 3 S- 0 0 94 142,-2.5 143,-0.1 -2,-0.4 -1,-0.1 0.894 131.9 -52.3 48.6 45.1 17.8 2.3 8.8 13 56 A G T 3 S+ 0 0 52 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.513 116.6 105.0 77.5 8.0 18.6 -0.5 11.2 14 57 A K E < S-A 11 0A 144 -3,-1.5 -3,-2.5 0, 0.0 -1,-0.2 -0.967 74.6-105.8-123.0 140.7 22.2 0.5 12.0 15 58 A P E -A 10 0A 93 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.338 26.2-178.0 -70.6 137.5 23.2 2.1 15.2 16 59 A L E - 0 0 41 -7,-3.1 2,-0.3 1,-0.4 -6,-0.2 0.616 51.7-111.2 -93.5 -26.7 24.1 5.8 15.4 17 60 A G E -A 9 0A 32 -8,-0.9 -8,-2.3 120,-0.1 2,-0.4 -0.870 44.4 -40.0 125.3-158.0 25.0 5.6 19.1 18 61 A R E -A 8 0A 86 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.907 30.1-157.1-119.0 135.1 23.7 6.9 22.4 19 62 A V E -A 7 0A 0 -12,-3.0 -12,-2.5 -2,-0.4 2,-0.5 -0.949 16.1-160.8-105.2 125.0 22.0 10.1 23.5 20 63 A V E -AC 6 133A 5 113,-2.6 112,-2.8 -2,-0.5 113,-1.3 -0.925 8.9-167.2-107.9 133.6 22.3 10.7 27.3 21 64 A L E -AC 5 131A 0 -16,-2.8 -16,-2.5 -2,-0.5 2,-0.5 -0.953 17.1-143.8-125.5 134.0 19.9 13.2 28.8 22 65 A E E -AC 4 130A 38 108,-2.6 108,-1.6 -2,-0.4 2,-0.5 -0.885 19.6-147.6 -91.7 128.3 19.9 14.9 32.3 23 66 A L E - C 0 129A 0 -20,-2.6 2,-2.2 -2,-0.5 106,-0.3 -0.878 10.2-136.5-100.2 126.2 16.3 15.3 33.5 24 67 A K >> + 0 0 48 104,-2.8 4,-2.9 -2,-0.5 3,-1.2 -0.411 40.6 157.6 -86.1 68.4 15.8 18.4 35.7 25 68 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.740 68.7 66.8 -63.6 -23.3 13.7 16.7 38.4 26 69 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.842 116.0 25.4 -63.7 -33.4 14.8 19.5 40.7 27 70 A V T <4 S+ 0 0 41 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.804 140.5 19.8 -98.4 -43.0 12.8 22.0 38.6 28 71 A V X + 0 0 0 -4,-2.9 4,-3.0 100,-0.1 5,-0.3 -0.647 67.0 166.3-132.5 71.1 10.1 19.9 36.9 29 72 A P H > S+ 0 0 61 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.874 76.5 48.6 -60.5 -38.1 9.8 16.7 38.9 30 73 A K H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.888 115.4 43.9 -69.7 -40.4 6.5 15.5 37.4 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.914 115.3 48.7 -71.9 -43.2 7.7 16.1 33.8 32 75 A A H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.914 110.2 51.9 -60.0 -45.2 11.1 14.5 34.6 33 76 A E H X S+ 0 0 64 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.895 106.9 53.0 -62.5 -41.6 9.5 11.5 36.3 34 77 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.967 113.1 43.1 -55.5 -53.4 7.2 10.8 33.3 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.920 112.7 52.9 -62.1 -41.3 10.1 10.8 30.9 36 79 A R H X S+ 0 0 28 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.945 112.0 44.8 -60.6 -50.7 12.3 8.7 33.2 37 80 A A H X>S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.6 0.838 110.1 54.6 -64.6 -32.9 9.6 6.0 33.6 38 81 A L H <5S+ 0 0 1 -4,-2.2 9,-1.9 -5,-0.2 10,-0.5 0.826 108.5 51.3 -71.4 -27.6 8.9 6.0 29.8 39 82 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -5,-0.2 121,-0.2 0.906 114.2 40.9 -71.3 -43.2 12.6 5.3 29.3 40 83 A T H <5S- 0 0 52 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.772 97.1-140.1 -73.1 -26.9 12.7 2.4 31.7 41 84 A G T ><5 + 0 0 28 -4,-1.9 3,-2.5 -5,-0.2 -3,-0.2 0.546 52.9 144.2 76.8 10.5 9.4 1.0 30.5 42 85 A E T 3 < + 0 0 102 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.649 63.5 56.2 -62.0 -20.1 8.5 0.2 34.1 43 86 A K T 3 S- 0 0 104 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.436 125.8 -97.2 -87.6 -2.5 4.8 1.0 33.7 44 87 A G S < S+ 0 0 71 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.436 100.3 56.8 100.6 6.2 4.5 -1.5 30.9 45 88 A F + 0 0 56 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.959 58.5 113.9-157.4 164.6 4.8 1.0 28.0 46 89 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.994 69.0 -40.8 157.4-161.2 7.3 3.6 26.8 47 90 A Y S > S+ 0 0 0 -9,-1.9 3,-2.4 -2,-0.3 110,-0.2 0.641 80.0 118.6 -80.0 -20.5 9.8 4.7 24.2 48 91 A K T 3 S+ 0 0 131 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.288 88.0 9.5 -53.4 125.2 11.5 1.4 23.4 49 92 A G T 3 S+ 0 0 45 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.318 102.6 120.2 90.4 -9.0 11.0 0.6 19.7 50 93 A S < - 0 0 1 -3,-2.4 107,-3.2 107,-0.3 -1,-0.3 -0.225 52.3-123.1 -85.1 177.5 9.4 4.0 18.9 51 94 A T B -D 156 0A 27 14,-0.3 13,-0.9 105,-0.3 2,-0.8 -0.758 16.9-115.5-122.8 160.4 10.7 6.6 16.3 52 95 A F E +E 63 0A 2 103,-2.2 103,-0.5 -2,-0.3 11,-0.3 -0.916 44.5 172.6 -86.1 105.4 11.9 10.1 15.7 53 96 A H E + 0 0 33 -2,-0.8 2,-0.4 9,-0.7 98,-0.3 0.595 58.7 39.6 -97.1 -15.9 8.9 10.9 13.4 54 97 A R E +E 62 0A 94 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.950 63.8 166.6-141.6 113.9 9.4 14.6 12.7 55 98 A V E -E 61 0A 0 94,-2.2 91,-2.0 -2,-0.4 94,-0.3 -0.996 10.8-173.4-137.6 122.4 12.9 16.1 12.2 56 99 A I E >> -E 60 0A 28 4,-2.6 3,-1.5 -2,-0.4 4,-1.3 -0.971 27.9-122.6-121.3 112.3 13.5 19.6 10.9 57 100 A P T 34 S+ 0 0 53 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.262 96.6 15.8 -55.5 141.4 17.1 20.6 10.2 58 101 A S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.716 129.5 54.5 61.4 27.2 18.3 23.7 12.0 59 102 A F T <4 S- 0 0 36 -3,-1.5 56,-2.5 1,-0.1 57,-0.8 0.297 103.3 -51.1-141.8 -76.0 15.3 23.4 14.4 60 103 A M E < -EF 56 114A 1 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.992 28.8-120.1-167.7 164.9 14.7 20.1 16.3 61 104 A C E -EF 55 113A 1 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.988 32.0-160.0-120.2 123.8 14.2 16.4 16.4 62 105 A Q E +EF 54 112A 15 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.7 -0.849 22.1 143.3-115.3 140.5 10.9 15.1 17.7 63 106 A A E +EF 52 111A 0 48,-2.6 48,-2.2 -2,-0.4 -11,-0.2 -0.785 24.9 94.6-149.1-175.1 10.0 11.7 19.0 64 107 A G + 0 0 0 -13,-0.9 2,-1.6 46,-0.3 3,-0.1 0.423 41.4 128.8 101.8 -0.8 7.9 9.9 21.6 65 108 A D > + 0 0 1 -14,-0.5 4,-1.2 1,-0.2 -14,-0.3 -0.645 22.8 160.6 -85.6 83.1 4.7 8.9 19.8 66 109 A F T 4 + 0 0 28 -2,-1.6 -1,-0.2 2,-0.2 -20,-0.1 0.436 68.9 48.4 -86.9 -0.7 4.8 5.3 20.8 67 110 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.805 131.1 10.4-102.0 -47.3 1.1 4.7 20.2 68 111 A N T 4 S- 0 0 84 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.520 80.7-145.2-111.6 -12.5 0.6 6.2 16.7 69 112 A H S < S+ 0 0 92 -4,-1.2 -3,-0.1 1,-0.1 -5,-0.0 0.713 80.4 79.6 59.0 25.8 4.2 6.8 15.5 70 113 A N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.399 111.3 -88.3-146.0 3.1 3.1 10.0 13.6 71 114 A G S S+ 0 0 30 -6,-0.1 -2,-0.0 -17,-0.0 39,-0.0 0.382 108.0 88.2 102.0 -3.8 2.7 12.9 16.0 72 115 A T S S+ 0 0 91 -7,-0.1 2,-0.0 0, 0.0 -7,-0.0 0.609 86.9 41.9 -96.8 -11.7 -0.9 12.3 17.0 73 116 A G + 0 0 5 2,-0.0 36,-0.4 -8,-0.0 37,-0.3 0.001 48.3 111.8-120.5-149.2 -0.4 9.9 19.9 74 117 A G - 0 0 7 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.099 39.2-138.5 90.9 164.0 1.5 9.0 23.0 75 118 A K - 0 0 82 33,-0.1 5,-0.2 -2,-0.1 33,-0.1 -0.976 9.7-122.6-155.7 155.1 0.5 8.9 26.6 76 119 A S - 0 0 2 3,-1.8 3,-0.4 -2,-0.3 33,-0.1 -0.409 30.9-109.5 -92.0 174.7 2.0 9.9 30.0 77 120 A I S S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.564 118.9 52.5 -79.3 -8.6 2.4 7.7 33.0 78 121 A Y S S- 0 0 111 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.609 128.3 -63.1 -95.9 -19.7 -0.4 9.7 34.7 79 122 A G S S- 0 0 38 -3,-0.4 -3,-1.8 1,-0.1 -1,-0.5 -0.919 79.3 -48.3 150.2-170.2 -3.1 9.4 32.0 80 123 A S S S+ 0 0 85 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.906 119.4 4.3 -66.0 -40.5 -3.3 10.6 28.5 81 124 A R - 0 0 94 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.935 62.7-162.1-141.9 157.9 -2.2 14.1 29.1 82 125 A F B -I 107 0B 14 25,-2.1 25,-1.7 -2,-0.3 3,-0.1 -0.962 30.3 -88.1-142.8 158.6 -0.9 16.2 31.9 83 126 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.141 45.6 -93.3 -65.7 160.7 -0.5 20.0 32.7 84 127 A D - 0 0 25 1,-0.2 3,-0.1 41,-0.0 41,-0.0 -0.637 37.7-156.4 -67.7 119.4 2.4 22.3 31.9 85 128 A E - 0 0 45 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.952 58.2 -47.4 -71.5 -52.3 4.4 22.0 35.1 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.2 -0.942 35.5-129.8-167.4 172.8 6.2 25.3 34.7 87 130 A F + 0 0 63 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.040 65.8 122.5-117.7 29.5 8.1 27.3 32.1 88 131 A T + 0 0 96 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.899 60.8 62.8 -65.5 -45.5 11.1 28.0 34.3 89 132 A L S S- 0 0 50 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.613 80.6-144.2 -79.9 145.9 13.8 26.5 32.1 90 133 A K - 0 0 95 -2,-0.3 2,-1.8 32,-0.1 3,-0.2 -0.660 24.0-106.6-114.6 160.1 14.2 28.1 28.7 91 134 A H + 0 0 1 -2,-0.2 27,-0.5 27,-0.2 31,-0.1 -0.630 55.4 160.9 -83.6 78.1 15.0 26.9 25.2 92 135 A V - 0 0 106 -2,-1.8 25,-0.2 25,-0.2 -1,-0.2 0.672 51.6 -45.8 -84.4 -18.2 18.6 28.4 25.4 93 136 A G S > S- 0 0 10 23,-0.3 3,-1.5 -3,-0.2 23,-0.3 -0.991 85.7 -24.9 171.8-177.1 20.4 26.5 22.7 94 137 A P T 3 S+ 0 0 83 0, 0.0 21,-0.2 0, 0.0 23,-0.1 -0.305 116.1 38.7 -57.5 142.4 21.2 23.2 21.0 95 138 A G T 3 S+ 0 0 6 19,-2.9 36,-2.0 1,-0.3 2,-0.1 0.254 76.3 141.9 100.0 -11.2 20.7 20.2 23.3 96 139 A V E < -G 130 0A 9 -3,-1.5 18,-2.6 34,-0.2 2,-0.5 -0.440 40.6-149.1 -64.8 132.6 17.6 21.4 25.1 97 140 A L E +GH 129 113A 0 32,-2.5 31,-2.5 16,-0.2 32,-1.2 -0.953 27.8 166.1-106.6 126.1 15.1 18.6 25.8 98 141 A S E -GH 127 112A 0 14,-2.4 14,-2.6 -2,-0.5 2,-0.4 -0.932 37.2-101.1-144.0 155.2 11.5 19.9 25.8 99 142 A M E - 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