==== 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 31-MAR-11 3RCL . 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) . 7208.0 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 . 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 . 16 9.8 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 0 129 0, 0.0 3,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-174.3 20.6 13.8 42.1 2 45 A N - 0 0 35 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.356 360.0 -96.8 -63.1 144.0 18.7 14.4 38.9 3 46 A P - 0 0 17 0, 0.0 20,-2.7 0, 0.0 2,-0.5 -0.328 28.4-152.7 -61.7 141.2 18.0 11.3 36.7 4 47 A L E +A 22 0A 49 18,-0.2 159,-2.6 -3,-0.1 160,-1.6 -0.982 22.9 175.5-106.6 129.6 20.3 10.5 33.8 5 48 A V E -AB 21 162A 0 16,-2.5 16,-2.9 -2,-0.5 2,-0.3 -0.851 13.9-144.0-128.7 166.2 18.6 8.5 31.1 6 49 A Y E -AB 20 161A 47 155,-2.4 155,-1.6 -2,-0.3 2,-0.4 -0.963 10.3-161.8-135.3 151.8 19.6 7.2 27.6 7 50 A L E -AB 19 160A 0 12,-2.3 12,-3.0 -2,-0.3 2,-0.5 -0.995 11.2-156.7-126.2 121.4 18.3 6.7 24.1 8 51 A D E -AB 18 159A 31 151,-3.0 150,-1.7 -2,-0.4 151,-1.1 -0.902 21.8-158.3 -94.5 126.8 20.1 4.3 21.8 9 52 A V E -AB 17 157A 1 8,-2.3 7,-3.5 -2,-0.5 8,-0.8 -0.915 14.5-167.0-120.8 130.3 19.2 5.3 18.2 10 53 A D E -AB 15 156A 33 146,-3.0 146,-1.6 -2,-0.4 2,-0.4 -0.757 7.0-158.1 -99.0 153.6 19.3 3.4 14.9 11 54 A A E > S-AB 14 155A 3 3,-2.5 3,-1.3 -2,-0.3 144,-0.2 -0.964 84.5 -15.9-130.4 119.5 18.9 4.9 11.4 12 55 A N T 3 S- 0 0 80 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.901 131.0 -52.4 49.3 46.0 17.8 2.3 8.8 13 56 A G T 3 S+ 0 0 59 141,-0.5 -1,-0.2 1,-0.2 142,-0.1 0.499 116.3 109.7 76.8 5.7 18.7 -0.5 11.2 14 57 A K E < S-A 11 0A 124 -3,-1.3 -3,-2.5 2,-0.0 -1,-0.2 -0.951 72.9-111.1-116.0 134.0 22.3 0.7 11.9 15 58 A P E -A 10 0A 105 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.383 25.2-175.9 -69.4 133.0 23.3 2.2 15.3 16 59 A L E - 0 0 39 -7,-3.5 2,-0.3 1,-0.4 -6,-0.2 0.648 50.0-111.3 -90.7 -24.1 24.0 5.9 15.5 17 60 A G E -A 9 0A 32 -8,-0.8 -8,-2.3 120,-0.1 2,-0.4 -0.865 44.7 -40.4 122.9-159.6 25.0 5.7 19.2 18 61 A R E -A 8 0A 88 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.892 30.7-156.8-118.2 135.3 23.6 6.9 22.5 19 62 A V E -A 7 0A 0 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.5 -0.960 16.0-160.2-104.4 121.8 22.0 10.2 23.6 20 63 A V E -AC 6 133A 5 113,-2.6 112,-2.9 -2,-0.5 113,-1.3 -0.910 9.2-166.2-104.2 131.9 22.3 10.7 27.3 21 64 A L E -AC 5 131A 0 -16,-2.9 -16,-2.5 -2,-0.5 2,-0.5 -0.947 17.0-145.2-122.3 133.2 19.9 13.2 28.9 22 65 A E E -AC 4 130A 37 108,-2.5 108,-1.6 -2,-0.4 2,-0.5 -0.881 19.5-148.0 -89.9 127.8 19.8 14.9 32.3 23 66 A L E - C 0 129A 0 -20,-2.7 2,-2.2 -2,-0.5 106,-0.3 -0.875 10.8-135.9 -99.3 123.6 16.2 15.3 33.5 24 67 A K >> + 0 0 46 104,-3.0 4,-3.0 -2,-0.5 3,-1.4 -0.423 41.2 157.3 -83.9 68.8 15.8 18.4 35.6 25 68 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.712 69.3 66.9 -63.2 -23.7 13.7 16.8 38.4 26 69 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.759 116.2 25.1 -66.6 -26.1 14.8 19.6 40.7 27 70 A V T <4 S+ 0 0 39 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.1 0.787 141.0 19.0-104.5 -43.8 12.8 22.1 38.5 28 71 A V X + 0 0 0 -4,-3.0 4,-2.9 100,-0.1 5,-0.2 -0.649 66.6 166.8-132.6 72.3 10.1 19.9 36.9 29 72 A P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.858 77.7 48.6 -60.0 -38.4 9.8 16.7 39.0 30 73 A K H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.896 115.5 43.5 -70.9 -39.4 6.5 15.6 37.5 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 115.5 49.0 -71.1 -44.0 7.7 16.1 33.9 32 75 A A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.918 110.0 51.8 -58.7 -46.6 11.1 14.5 34.7 33 76 A E H X S+ 0 0 64 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.885 107.2 52.8 -61.5 -42.4 9.4 11.5 36.3 34 77 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.950 112.8 43.5 -55.5 -52.1 7.2 10.8 33.3 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.905 112.9 52.7 -63.5 -42.3 10.1 10.8 30.9 36 79 A R H X S+ 0 0 27 -4,-2.7 4,-2.0 1,-0.2 3,-0.4 0.950 111.5 45.2 -57.9 -51.4 12.3 8.7 33.3 37 80 A A H X>S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 5,-0.7 0.838 110.3 54.2 -65.0 -34.7 9.6 6.0 33.6 38 81 A L H <5S+ 0 0 1 -4,-2.0 9,-1.8 -5,-0.2 10,-0.5 0.810 108.3 51.4 -69.4 -29.5 8.9 6.0 29.9 39 82 A C H <5S+ 0 0 3 -4,-1.7 -2,-0.2 -3,-0.4 121,-0.2 0.903 114.7 40.5 -70.2 -44.1 12.6 5.3 29.3 40 83 A T H <5S- 0 0 51 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.767 97.4-140.8 -74.3 -27.1 12.7 2.4 31.7 41 84 A G T ><5 + 0 0 29 -4,-1.9 3,-2.1 -5,-0.2 -3,-0.2 0.607 52.6 143.9 74.9 15.1 9.3 1.1 30.5 42 85 A E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.639 62.3 58.9 -66.8 -18.3 8.5 0.2 34.1 43 86 A K T 3 S- 0 0 102 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.433 126.1 -95.5 -86.0 -1.9 4.8 1.1 33.8 44 87 A G S < S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.439 101.7 53.7 100.4 2.0 4.3 -1.5 30.9 45 88 A F + 0 0 56 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.966 58.5 115.3-156.5 165.2 4.8 1.0 28.1 46 89 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 68.0 -41.0 160.3-159.9 7.3 3.6 26.9 47 90 A Y S > S+ 0 0 0 -9,-1.8 3,-2.5 -2,-0.3 110,-0.2 0.653 80.8 117.3 -77.7 -20.9 9.8 4.7 24.3 48 91 A K T 3 S+ 0 0 129 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.280 88.2 10.0 -56.3 124.9 11.6 1.5 23.5 49 92 A G T 3 S+ 0 0 47 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.274 103.1 116.7 91.8 -9.4 11.0 0.6 19.8 50 93 A S < - 0 0 1 -3,-2.5 107,-3.2 107,-0.3 -1,-0.3 -0.219 53.7-123.8 -88.0-179.9 9.4 4.0 18.9 51 94 A T B -D 156 0A 20 14,-0.3 2,-0.8 105,-0.3 13,-0.7 -0.750 17.8-112.7-126.2 161.3 10.7 6.5 16.4 52 95 A F E +E 63 0A 2 103,-2.2 103,-0.5 -2,-0.2 11,-0.3 -0.907 44.5 171.8 -85.6 106.2 11.8 10.1 15.7 53 96 A H E + 0 0 31 -2,-0.8 2,-0.4 9,-0.7 98,-0.3 0.611 59.9 41.9 -98.5 -17.8 8.9 10.8 13.4 54 97 A R E +E 62 0A 93 8,-1.4 8,-3.2 96,-0.1 2,-0.4 -0.950 63.5 165.6-137.1 111.9 9.3 14.6 12.9 55 98 A V E -E 61 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.4 -0.992 9.9-175.5-133.2 123.2 12.8 16.0 12.3 56 99 A I E >> -E 60 0A 28 4,-2.6 4,-1.4 -2,-0.4 3,-1.3 -0.960 27.6-123.7-123.5 111.7 13.4 19.6 11.0 57 100 A P T 34 S+ 0 0 57 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.225 96.2 16.6 -55.6 142.0 17.0 20.7 10.3 58 101 A S T 34 S+ 0 0 87 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.724 129.7 54.0 61.7 26.9 18.1 23.8 12.1 59 102 A F T <4 S- 0 0 34 -3,-1.3 56,-2.5 1,-0.1 57,-0.8 0.254 103.7 -53.3-142.1 -78.2 15.2 23.4 14.5 60 103 A M E < -EF 56 114A 0 -4,-1.4 -4,-2.6 54,-0.3 2,-0.5 -0.990 28.7-117.5-168.2 164.7 14.6 20.1 16.4 61 104 A C E -EF 55 113A 1 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.988 33.2-160.1-116.8 122.1 14.2 16.4 16.4 62 105 A Q E +EF 54 112A 15 -8,-3.2 -8,-1.4 -2,-0.5 -9,-0.7 -0.850 22.8 142.1-112.0 138.9 10.8 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 -0.768 25.0 95.7-148.3-173.0 10.0 11.6 19.1 64 107 A G + 0 0 0 -13,-0.7 2,-1.6 46,-0.3 11,-0.3 0.409 42.5 127.7 100.0 -0.3 7.9 9.9 21.7 65 108 A D > + 0 0 1 -14,-0.5 4,-1.2 1,-0.2 -14,-0.3 -0.643 23.5 160.3 -84.9 82.2 4.7 9.0 19.9 66 109 A F T 4 + 0 0 28 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.434 68.0 49.1 -87.2 1.2 4.8 5.3 20.9 67 110 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.802 130.2 10.6-102.8 -43.3 1.1 4.7 20.2 68 111 A N T 4 S- 0 0 81 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.540 80.4-145.2-114.7 -14.7 0.6 6.1 16.7 69 112 A H S < S+ 0 0 92 -4,-1.2 -3,-0.1 1,-0.1 -17,-0.0 0.733 80.9 79.5 56.5 29.1 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 0.382 111.4 -88.2-145.7 2.3 3.1 10.0 13.6 71 114 A G S S+ 0 0 30 -6,-0.1 39,-0.0 -17,-0.0 -2,-0.0 0.357 108.2 87.6 102.5 -3.8 2.7 12.9 16.0 72 115 A T S S+ 0 0 91 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.543 86.5 43.5 -99.9 -9.6 -1.0 12.3 17.0 73 116 A G + 0 0 7 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.105 48.9 112.0-120.8-150.5 -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 -0.113 39.3-140.0 93.1 161.4 1.5 9.0 23.0 75 118 A K - 0 0 84 -11,-0.3 5,-0.2 33,-0.1 33,-0.2 -0.980 9.9-122.4-154.5 154.2 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 -0.410 31.1-109.4 -90.2 171.6 1.9 9.9 30.0 77 120 A I S S+ 0 0 31 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.577 119.3 51.7 -74.1 -8.6 2.4 7.7 33.0 78 121 A Y S S- 0 0 109 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.625 128.3 -61.9 -98.6 -19.3 -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,-0.4 -0.939 78.0 -50.1 152.7-170.1 -3.1 9.4 32.0 80 123 A S S S+ 0 0 83 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.907 120.4 7.1 -67.6 -39.2 -3.4 10.5 28.4 81 124 A R - 0 0 100 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.955 62.8-164.4-139.6 155.7 -2.3 14.1 29.1 82 125 A F B -I 107 0B 15 25,-2.1 25,-1.6 -2,-0.3 3,-0.1 -0.965 31.2 -88.8-140.4 159.3 -0.9 16.2 32.0 83 126 A P - 0 0 83 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.114 44.4 -93.3 -65.9 159.5 -0.5 19.9 32.8 84 127 A D - 0 0 25 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.644 37.1-157.6 -66.2 114.9 2.3 22.3 32.0 85 128 A E - 0 0 46 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.949 58.5 -48.8 -68.0 -52.3 4.3 22.0 35.2 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.946 34.8-128.3-168.4 173.4 6.1 25.3 34.7 87 130 A F + 0 0 63 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.072 66.5 122.1-117.3 31.4 8.1 27.3 32.1 88 131 A T + 0 0 94 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.913 60.3 64.5 -68.0 -46.2 11.0 28.0 34.3 89 132 A L S S- 0 0 51 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.582 80.7-144.7 -77.2 140.8 13.7 26.4 32.1 90 133 A K - 0 0 95 -2,-0.2 2,-1.8 32,-0.1 3,-0.2 -0.667 23.7-106.8-109.4 160.3 14.2 28.2 28.7 91 134 A H + 0 0 2 -2,-0.2 27,-0.3 1,-0.2 31,-0.1 -0.595 55.1 160.5 -82.0 78.7 15.0 27.0 25.2 92 135 A V - 0 0 107 -2,-1.8 25,-0.2 25,-0.2 -1,-0.2 0.664 51.9 -50.4 -84.4 -20.1 18.5 28.4 25.4 93 136 A G S > S- 0 0 10 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.990 84.5 -20.7 173.0-172.4 20.3 26.5 22.7 94 137 A P T 3 S+ 0 0 85 0, 0.0 21,-0.2 0, 0.0 23,-0.1 -0.345 116.1 37.3 -58.2 137.0 21.1 23.2 21.0 95 138 A G T 3 S+ 0 0 6 19,-2.9 36,-1.8 1,-0.4 2,-0.2 0.248 76.7 141.9 104.0 -10.2 20.6 20.2 23.3 96 139 A V E < -G 130 0A 9 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.455 40.8-148.6 -65.0 132.7 17.5 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 -0.940 28.3 165.3-105.9 123.6 15.0 18.6 25.9 98 141 A S E -GH 127 112A 0 14,-2.4 14,-2.7 -2,-0.5 2,-0.4 -0.933 37.6-101.2-143.3 154.6 11.4 19.9 25.9 99 142 A M E - 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