==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 31-MAR-11 3RCG . 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) . 7255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 67.1 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 . 51 31.1 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 . 13 7.9 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 . 3 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 0.000 360.0 360.0 360.0-166.7 20.8 14.0 42.2 2 45 A N - 0 0 36 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.318 360.0 -98.0 -63.1 142.8 18.9 14.6 38.9 3 46 A P - 0 0 17 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.305 26.2-151.3 -61.8 146.9 18.3 11.5 36.8 4 47 A L E +A 22 0A 47 18,-0.2 159,-2.8 16,-0.0 160,-1.5 -0.981 22.8 175.8-113.5 127.7 20.5 10.5 33.9 5 48 A V E -AB 21 162A 0 16,-2.6 16,-2.7 -2,-0.5 2,-0.3 -0.826 13.6-144.4-128.0 165.8 18.8 8.6 31.1 6 49 A Y E -AB 20 161A 48 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.972 10.2-161.6-135.5 152.3 19.8 7.3 27.7 7 50 A L E -AB 19 160A 0 12,-2.4 12,-3.0 -2,-0.3 2,-0.5 -0.997 11.3-156.4-126.1 123.5 18.4 6.7 24.2 8 51 A D E -AB 18 159A 31 151,-3.1 150,-1.9 -2,-0.4 151,-1.1 -0.904 22.6-160.9 -99.1 124.7 20.2 4.3 21.8 9 52 A V E -AB 17 157A 2 8,-2.3 7,-3.3 -2,-0.5 8,-0.8 -0.932 14.5-166.1-121.4 130.0 19.3 5.3 18.3 10 53 A D E -AB 15 156A 30 146,-2.9 146,-1.9 -2,-0.4 2,-0.4 -0.765 7.8-155.5 -99.6 153.1 19.4 3.4 14.9 11 54 A A E > S-AB 14 155A 7 3,-2.6 3,-1.5 -2,-0.3 144,-0.2 -0.995 84.8 -13.5-124.2 124.5 19.1 5.0 11.4 12 55 A N T 3 S- 0 0 93 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.890 131.5 -53.3 47.4 44.5 17.9 2.4 8.8 13 56 A G T 3 S+ 0 0 52 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.533 117.1 101.8 78.5 8.3 18.6 -0.4 11.2 14 57 A K E < S-A 11 0A 156 -3,-1.5 -3,-2.6 0, 0.0 -1,-0.2 -0.973 76.5-102.5-126.8 141.4 22.2 0.4 12.1 15 58 A P E -A 10 0A 104 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.345 26.6-177.2 -70.9 138.2 23.3 2.1 15.3 16 59 A L E - 0 0 41 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.645 51.9-109.1 -94.0 -24.0 24.3 5.8 15.5 17 60 A G E -A 9 0A 31 -8,-0.8 -8,-2.3 120,-0.1 2,-0.4 -0.892 45.1 -41.5 124.8-159.0 25.2 5.6 19.2 18 61 A R E -A 8 0A 86 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.909 29.7-156.2-121.5 135.2 23.8 6.9 22.5 19 62 A V E -A 7 0A 0 -12,-3.0 -12,-2.4 -2,-0.4 2,-0.5 -0.956 15.9-160.1-105.2 124.9 22.2 10.2 23.6 20 63 A V E -AC 6 133A 5 113,-2.8 112,-2.7 -2,-0.5 113,-1.3 -0.925 9.0-167.3-107.9 131.5 22.5 10.8 27.4 21 64 A L E -AC 5 131A 0 -16,-2.7 -16,-2.6 -2,-0.5 2,-0.5 -0.958 16.4-145.9-122.9 134.3 20.0 13.3 28.9 22 65 A E E -AC 4 130A 43 108,-2.6 108,-1.7 -2,-0.4 2,-0.5 -0.880 19.9-146.8 -93.5 128.9 20.0 14.9 32.3 23 66 A L E - C 0 129A 0 -20,-2.6 2,-2.3 -2,-0.5 106,-0.3 -0.876 9.7-135.7-101.8 126.1 16.5 15.5 33.6 24 67 A K >> + 0 0 57 104,-2.8 4,-2.9 -2,-0.5 3,-1.1 -0.400 40.6 157.8 -82.8 65.9 15.9 18.6 35.7 25 68 A A T 34 + 0 0 28 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.740 68.5 63.4 -63.9 -23.3 13.8 16.9 38.4 26 69 A D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.860 116.4 29.3 -65.3 -33.5 14.7 19.7 40.9 27 70 A V T <4 S+ 0 0 39 -3,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.831 140.4 16.8 -92.9 -42.8 12.9 22.2 38.6 28 71 A V X + 0 0 0 -4,-2.9 4,-2.8 100,-0.1 5,-0.3 -0.641 68.4 166.4-133.7 70.6 10.2 20.1 36.9 29 72 A P H > S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.874 76.5 48.5 -60.5 -39.2 9.9 16.9 39.0 30 73 A K H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.902 115.3 43.9 -70.6 -40.2 6.6 15.7 37.4 31 74 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 115.2 48.9 -70.3 -43.4 7.8 16.2 33.9 32 75 A A H X S+ 0 0 1 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.918 109.8 52.1 -60.9 -43.3 11.2 14.7 34.6 33 76 A E H X S+ 0 0 65 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.897 106.9 52.7 -63.9 -41.7 9.6 11.6 36.3 34 77 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.960 113.2 43.2 -55.3 -52.6 7.3 11.0 33.3 35 78 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.921 112.9 52.9 -63.2 -43.5 10.2 10.9 30.9 36 79 A R H X S+ 0 0 26 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.943 111.8 44.8 -55.6 -50.7 12.4 8.8 33.2 37 80 A A H X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.7 0.829 109.9 54.9 -67.2 -33.2 9.7 6.2 33.6 38 81 A L H <5S+ 0 0 1 -4,-2.1 9,-1.9 -5,-0.2 10,-0.5 0.834 108.5 50.9 -69.5 -29.1 9.0 6.1 29.8 39 82 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -3,-0.2 121,-0.2 0.908 114.3 41.4 -71.0 -43.0 12.7 5.5 29.3 40 83 A T H <5S- 0 0 51 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.779 97.2-140.6 -74.4 -24.3 12.8 2.5 31.7 41 84 A G T ><5 + 0 0 28 -4,-1.8 3,-2.4 -5,-0.2 -3,-0.2 0.583 52.2 144.6 76.2 11.2 9.5 1.2 30.5 42 85 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.644 63.3 56.8 -64.9 -20.2 8.7 0.3 34.1 43 86 A K T 3 S- 0 0 103 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.445 125.8 -96.9 -85.5 -2.2 4.9 1.1 33.8 44 87 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.506 100.6 54.8 100.4 5.6 4.6 -1.4 30.9 45 88 A F + 0 0 56 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.958 58.9 112.3-157.6 167.9 5.0 1.0 28.0 46 89 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 70.8 -37.4 152.8-161.4 7.4 3.7 26.9 47 90 A Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.2 0.656 80.6 118.8 -77.8 -19.0 9.9 4.8 24.3 48 91 A K T 3 S+ 0 0 131 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.271 88.1 8.5 -55.9 129.7 11.7 1.5 23.5 49 92 A G T 3 S+ 0 0 47 108,-2.9 -1,-0.3 1,-0.3 109,-0.1 0.321 103.3 119.5 85.3 -4.5 11.1 0.6 19.8 50 93 A S < - 0 0 1 -3,-2.5 107,-3.0 107,-0.3 -1,-0.3 -0.169 52.5-120.9 -92.0-177.8 9.6 4.0 18.9 51 94 A T B -D 156 0A 16 14,-0.3 2,-0.9 105,-0.3 13,-0.7 -0.772 16.6-117.1-126.1 160.2 10.8 6.6 16.4 52 95 A F E +E 63 0A 2 103,-2.1 103,-0.5 -2,-0.3 11,-0.3 -0.910 42.9 174.0 -88.4 104.1 11.9 10.2 15.8 53 96 A H E + 0 0 34 -2,-0.9 2,-0.4 9,-0.6 98,-0.4 0.611 59.8 40.2 -93.5 -14.7 9.0 10.9 13.4 54 97 A R E +E 62 0A 96 8,-1.4 8,-3.0 96,-0.1 2,-0.4 -0.952 62.9 165.8-142.7 113.6 9.5 14.7 12.8 55 98 A V E -E 61 0A 0 94,-2.2 91,-2.1 -2,-0.4 94,-0.3 -0.995 10.4-174.0-137.5 124.0 13.0 16.1 12.3 56 99 A I E >> -E 60 0A 27 4,-2.6 3,-1.5 -2,-0.4 4,-1.3 -0.968 27.9-123.0-124.6 113.1 13.7 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 -0.249 97.0 17.2 -55.9 142.2 17.3 20.7 10.2 58 101 A S T 34 S+ 0 0 86 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.711 128.9 54.9 63.3 26.9 18.4 23.8 12.1 59 102 A F T <4 S- 0 0 37 -3,-1.5 56,-2.7 1,-0.1 57,-0.7 0.307 103.0 -54.6-141.8 -79.7 15.5 23.4 14.5 60 103 A M E < -EF 56 114A 1 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.988 29.4-116.6-167.6 165.5 14.9 20.2 16.4 61 104 A C E -EF 55 113A 0 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.989 33.3-159.3-117.5 122.7 14.4 16.4 16.4 62 105 A Q E +EF 54 112A 18 -8,-3.0 -8,-1.4 -2,-0.5 -9,-0.6 -0.855 23.2 141.5-114.9 139.3 11.0 15.2 17.7 63 106 A A E +EF 52 111A 0 48,-2.6 48,-2.1 -2,-0.4 -11,-0.2 -0.765 24.2 97.9-148.2-171.4 10.1 11.8 19.1 64 107 A G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 3,-0.1 0.369 43.0 125.2 100.8 -3.0 8.0 10.1 21.8 65 108 A D > + 0 0 1 -14,-0.4 4,-1.2 1,-0.2 -14,-0.3 -0.629 24.8 160.4 -86.4 81.6 4.8 9.1 19.9 66 109 A F T 4 + 0 0 25 -2,-1.7 -1,-0.2 1,-0.1 -20,-0.1 0.443 67.7 49.8 -85.2 0.9 5.0 5.4 20.9 67 110 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.829 129.5 10.3-102.8 -45.6 1.4 4.7 20.2 68 111 A N T 4 S- 0 0 86 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.520 81.8-143.0-113.8 -10.7 0.7 6.2 16.7 69 112 A H S < S+ 0 0 92 -4,-1.2 -3,-0.1 1,-0.1 -17,-0.0 0.727 81.3 79.4 59.7 26.7 4.3 6.9 15.5 70 113 A N S S- 0 0 95 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.400 110.7 -88.6-147.6 4.6 3.2 10.1 13.7 71 114 A G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.268 108.4 87.7 100.4 -9.7 2.7 13.0 16.1 72 115 A T S S+ 0 0 90 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.622 86.9 42.9 -91.7 -15.3 -0.9 12.3 17.0 73 116 A G + 0 0 6 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.008 49.7 113.1-116.6-150.2 -0.4 9.9 19.9 74 117 A G - 0 0 8 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.051 37.6-142.8 93.9 159.4 1.6 9.1 23.0 75 118 A K - 0 0 84 33,-0.1 5,-0.2 -2,-0.1 2,-0.1 -0.980 10.5-124.8-152.4 152.5 0.5 9.0 26.7 76 119 A S B > -I 79 0B 3 3,-1.9 3,-0.6 -2,-0.3 33,-0.1 -0.453 30.5-108.6 -88.9 171.9 2.1 10.0 30.0 77 120 A I T 3 S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.647 119.6 51.7 -70.7 -14.4 2.5 7.8 33.0 78 121 A Y T 3 S- 0 0 109 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.622 128.7 -62.8 -93.2 -20.0 -0.2 9.8 34.7 79 122 A G B < S-I 76 0B 38 -3,-0.6 -3,-1.9 1,-0.1 -1,-0.4 -0.934 77.5 -50.1 149.7-174.0 -2.9 9.6 32.0 80 123 A S S S+ 0 0 87 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.3 0.927 119.3 5.6 -65.0 -40.8 -3.2 10.7 28.4 81 124 A R - 0 0 96 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.934 64.2-164.3-139.2 159.1 -2.1 14.3 29.1 82 125 A F B -J 107 0C 14 25,-2.0 25,-1.6 -2,-0.3 3,-0.1 -0.963 30.2 -85.0-145.1 159.7 -0.8 16.4 32.0 83 126 A P - 0 0 85 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.148 44.3 -96.2 -63.2 157.8 -0.4 20.1 32.8 84 127 A D - 0 0 27 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.614 36.5-157.7 -65.7 118.0 2.4 22.4 31.9 85 128 A E - 0 0 46 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.961 57.1 -48.0 -72.1 -53.8 4.5 22.2 35.1 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.940 34.9-129.8-166.9 171.8 6.3 25.5 34.7 87 130 A F + 0 0 62 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.086 65.7 122.5-116.7 31.4 8.3 27.5 32.1 88 131 A T + 0 0 93 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.908 60.1 64.3 -67.1 -46.2 11.3 28.2 34.3 89 132 A L S S- 0 0 47 38,-0.4 38,-0.5 -3,-0.1 2,-0.2 -0.593 80.2-143.8 -77.2 143.3 13.9 26.6 32.1 90 133 A K - 0 0 96 -2,-0.3 2,-1.8 32,-0.1 3,-0.2 -0.655 23.6-106.4-111.9 161.8 14.4 28.3 28.7 91 134 A H + 0 0 1 -2,-0.2 27,-0.7 1,-0.2 31,-0.1 -0.603 54.7 162.2 -83.3 77.5 15.2 27.1 25.1 92 135 A V - 0 0 105 -2,-1.8 25,-0.3 25,-0.2 -1,-0.2 0.651 50.3 -54.1 -82.2 -19.8 18.7 28.4 25.4 93 136 A G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.989 85.4 -15.9 169.1-172.6 20.5 26.5 22.6 94 137 A P T 3 S+ 0 0 85 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.291 116.4 34.6 -56.2 145.2 21.4 23.2 21.0 95 138 A G T 3 S+ 0 0 6 19,-3.0 36,-1.9 1,-0.3 2,-0.2 0.267 76.6 143.1 92.2 -6.7 20.8 20.2 23.3 96 139 A V E < -G 130 0A 7 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.448 40.0-148.6 -66.3 135.4 17.7 21.5 25.1 97 140 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.3 -0.930 28.3 165.3-108.0 122.8 15.2 18.7 25.9 98 141 A S E -GH 127 112A 0 14,-2.4 14,-2.6 -2,-0.5 2,-0.5 -0.934 38.1-100.2-142.0 155.7 11.6 20.0 25.9 99 142 A M E - 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