==== 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 3RCF . 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) . 7171.0 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 . 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 0 128 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.8 20.8 14.1 42.2 2 45 A N - 0 0 34 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.344 360.0 -98.5 -63.2 140.7 19.0 14.6 39.0 3 46 A P - 0 0 15 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.293 26.4-151.3 -61.7 145.3 18.4 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 -0.982 23.3 174.8-111.5 127.0 20.6 10.6 33.9 5 48 A V E -AB 21 162A 0 16,-2.6 16,-2.8 -2,-0.5 2,-0.3 -0.832 13.9-144.8-127.9 166.5 18.9 8.6 31.2 6 49 A Y E -AB 20 161A 35 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.970 10.5-161.0-136.3 152.1 19.9 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 -0.998 11.4-157.0-125.8 124.1 18.5 6.7 24.3 8 51 A D E -AB 18 159A 29 151,-3.1 150,-1.7 -2,-0.4 151,-1.2 -0.908 21.7-159.9 -98.8 128.9 20.4 4.4 21.9 9 52 A V E -AB 17 157A 2 8,-2.3 7,-3.4 -2,-0.5 8,-0.8 -0.936 15.3-167.5-124.8 130.3 19.4 5.3 18.4 10 53 A D E -AB 15 156A 35 146,-2.8 146,-1.9 -2,-0.4 2,-0.4 -0.790 8.3-156.1-100.3 152.9 19.6 3.4 15.0 11 54 A A E > S-AB 14 155A 2 3,-2.5 3,-1.8 -2,-0.3 144,-0.2 -0.983 85.0 -18.8-127.2 120.6 19.1 4.9 11.5 12 55 A N T 3 S- 0 0 98 142,-2.3 143,-0.1 -2,-0.4 -1,-0.1 0.893 130.3 -52.4 46.2 45.2 18.0 2.3 9.0 13 56 A G T 3 S+ 0 0 58 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.542 113.8 118.3 73.5 7.2 19.2 -0.4 11.4 14 57 A K E < -A 11 0A 157 -3,-1.8 -3,-2.5 2,-0.0 -1,-0.2 -0.930 68.8-120.3-103.3 124.9 22.7 1.1 11.8 15 58 A P E -A 10 0A 105 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.469 25.6-174.8 -67.6 132.0 23.6 2.1 15.4 16 59 A L E - 0 0 36 -7,-3.4 2,-0.3 1,-0.4 -6,-0.2 0.660 44.5-111.6 -92.9 -24.1 24.4 5.8 15.7 17 60 A G E -A 9 0A 33 -8,-0.8 -8,-2.3 120,-0.1 2,-0.4 -0.873 44.1 -41.1 123.0-157.9 25.3 5.7 19.4 18 61 A R E -A 8 0A 83 -2,-0.3 2,-0.5 -10,-0.2 119,-0.3 -0.904 29.5-156.7-121.8 135.0 23.9 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 -0.959 16.3-159.6-104.9 123.5 22.3 10.2 23.7 20 63 A V E -AC 6 133A 6 113,-2.7 112,-3.1 -2,-0.5 113,-1.2 -0.915 9.3-166.9-105.9 131.9 22.6 10.8 27.5 21 64 A L E -AC 5 131A 0 -16,-2.8 -16,-2.6 -2,-0.5 2,-0.5 -0.960 15.8-147.2-123.8 132.4 20.1 13.3 29.0 22 65 A E E -AC 4 130A 41 108,-2.7 108,-1.7 -2,-0.4 2,-0.5 -0.885 19.9-146.6 -94.1 128.2 20.1 14.9 32.4 23 66 A L E - C 0 129A 0 -20,-2.6 2,-2.2 -2,-0.5 106,-0.3 -0.855 10.0-135.2-101.2 128.1 16.5 15.5 33.7 24 67 A K >> + 0 0 50 104,-2.7 4,-2.9 -2,-0.5 3,-1.2 -0.407 41.7 156.3 -84.3 66.1 15.9 18.6 35.8 25 68 A A T 34 + 0 0 29 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.736 68.9 65.0 -62.7 -24.3 13.8 16.9 38.5 26 69 A D T 34 S+ 0 0 109 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.822 116.4 26.8 -68.3 -27.6 14.8 19.7 40.9 27 70 A V T <4 S+ 0 0 40 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.809 140.4 18.7-100.2 -41.8 12.9 22.2 38.7 28 71 A V X + 0 0 0 -4,-2.9 4,-2.9 100,-0.1 5,-0.3 -0.636 67.9 166.1-132.7 69.7 10.2 20.1 37.0 29 72 A P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 76.4 48.9 -59.0 -38.1 9.9 16.9 39.0 30 73 A K H > S+ 0 0 129 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.904 115.4 43.1 -70.9 -40.2 6.6 15.8 37.5 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 115.6 48.9 -71.8 -42.8 7.8 16.3 33.9 32 75 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.914 110.1 51.9 -60.4 -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 0.895 106.8 52.9 -64.5 -41.8 9.6 11.7 36.3 34 77 A N H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.958 113.2 43.2 -55.0 -52.8 7.3 11.0 33.4 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.917 112.7 53.0 -62.5 -44.1 10.3 11.0 30.9 36 79 A R H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.939 111.4 45.3 -56.0 -50.8 12.5 8.9 33.3 37 80 A A H X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.7 0.829 109.8 54.5 -66.1 -33.3 9.8 6.2 33.7 38 81 A L H <5S+ 0 0 1 -4,-2.0 9,-2.0 -5,-0.2 10,-0.5 0.823 108.4 51.0 -70.0 -29.2 9.1 6.1 29.9 39 82 A C H <5S+ 0 0 3 -4,-1.9 -2,-0.2 -3,-0.2 121,-0.2 0.903 114.6 41.0 -70.4 -43.7 12.8 5.5 29.4 40 83 A T H <5S- 0 0 51 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.784 96.8-141.2 -74.3 -25.4 13.0 2.6 31.8 41 84 A G T ><5 + 0 0 28 -4,-1.8 3,-2.4 -5,-0.2 -3,-0.2 0.588 51.7 144.9 74.1 13.3 9.6 1.2 30.6 42 85 A E T 3 < + 0 0 100 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.684 63.4 56.8 -64.1 -20.5 8.8 0.4 34.2 43 86 A K T 3 S- 0 0 103 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.483 125.7 -97.4 -85.5 -2.9 5.1 1.1 33.9 44 87 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.493 100.8 57.5 99.8 5.2 4.8 -1.4 31.0 45 88 A F + 0 0 56 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.960 58.6 113.1-155.3 165.9 5.1 1.1 28.1 46 89 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 69.9 -41.5 157.5-161.7 7.6 3.7 27.0 47 90 A Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 110,-0.3 0.655 80.3 118.2 -80.1 -19.4 10.0 4.8 24.4 48 91 A K T 3 S+ 0 0 132 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.285 88.0 9.8 -56.2 126.1 11.8 1.5 23.6 49 92 A G T 3 S+ 0 0 49 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.281 103.5 117.1 90.9 -9.3 11.3 0.6 19.9 50 93 A S < - 0 0 2 -3,-2.4 107,-3.1 107,-0.3 -1,-0.3 -0.191 53.8-121.4 -88.7-178.3 9.7 4.0 19.0 51 94 A T B -D 156 0A 20 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.768 17.2-114.8-125.8 161.2 11.0 6.6 16.5 52 95 A F E +E 63 0A 2 103,-2.1 103,-0.5 -2,-0.3 11,-0.3 -0.898 43.3 175.2 -86.5 104.5 12.1 10.1 15.9 53 96 A H E + 0 0 31 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.620 59.7 38.6 -94.0 -16.2 9.1 10.8 13.6 54 97 A R E +E 62 0A 107 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.954 62.7 167.5-142.2 116.7 9.7 14.6 12.9 55 98 A V E -E 61 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.3 -0.992 10.1-173.2-136.8 123.2 13.1 16.1 12.4 56 99 A I E >> -E 60 0A 24 4,-2.6 3,-1.5 -2,-0.4 4,-1.3 -0.966 28.0-123.1-122.5 111.7 13.8 19.6 11.0 57 100 A P T 34 S+ 0 0 52 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.254 96.3 16.7 -55.1 141.5 17.4 20.6 10.3 58 101 A S T 34 S+ 0 0 85 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.696 129.4 54.3 65.2 23.6 18.6 23.7 12.2 59 102 A F T <4 S- 0 0 45 -3,-1.5 56,-2.6 1,-0.1 57,-0.7 0.305 103.2 -50.4-141.1 -79.3 15.6 23.4 14.6 60 103 A M E < -EF 56 114A 3 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.990 29.3-120.1-165.4 164.7 14.9 20.1 16.5 61 104 A C E -EF 55 113A 1 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.988 32.4-159.1-116.8 122.6 14.5 16.4 16.6 62 105 A Q E +EF 54 112A 31 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.6 -0.852 23.2 142.0-112.9 139.7 11.1 15.1 17.8 63 106 A A E +EF 52 111A 0 48,-2.6 48,-2.1 -2,-0.4 -11,-0.2 -0.757 24.6 96.9-149.3-173.2 10.2 11.7 19.2 64 107 A G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 3,-0.1 0.371 43.6 125.6 102.6 -3.6 8.1 10.0 21.8 65 108 A D > + 0 0 1 -14,-0.4 4,-1.2 1,-0.2 -14,-0.3 -0.615 24.5 160.9 -87.1 81.3 4.9 9.0 19.9 66 109 A F T 4 + 0 0 27 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.450 68.6 47.2 -84.6 0.8 5.1 5.4 20.9 67 110 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.813 130.0 11.6-104.7 -44.8 1.4 4.7 20.1 68 111 A N T 4 S- 0 0 82 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.521 80.6-145.6-113.3 -12.5 0.8 6.3 16.7 69 112 A H S < S+ 0 0 98 -4,-1.2 -3,-0.1 1,-0.1 -5,-0.0 0.720 80.3 80.3 57.4 26.9 4.4 7.0 15.5 70 113 A N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.366 111.2 -88.4-146.1 6.4 3.2 10.2 13.7 71 114 A G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.312 108.6 87.2 99.3 -7.1 2.8 13.0 16.2 72 115 A T S S+ 0 0 88 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.622 86.1 46.2 -94.4 -15.4 -0.9 12.4 17.2 73 116 A G + 0 0 6 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.010 49.7 107.7-114.9-150.9 -0.3 9.9 20.0 74 117 A G - 0 0 9 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.070 40.1-140.7 91.7 161.4 1.7 9.0 23.1 75 118 A K - 0 0 85 33,-0.1 5,-0.2 -2,-0.1 33,-0.2 -0.977 10.5-123.7-153.2 153.7 0.6 9.0 26.8 76 119 A S - 0 0 3 3,-1.8 3,-0.5 -2,-0.3 33,-0.1 -0.427 30.7-108.7 -90.1 172.1 2.1 10.0 30.1 77 120 A I S S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.624 119.1 52.3 -72.9 -11.9 2.6 7.8 33.1 78 121 A Y S S- 0 0 108 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.614 128.7 -61.8 -95.0 -18.9 -0.2 9.9 34.8 79 122 A G S S- 0 0 37 -3,-0.5 -3,-1.8 1,-0.1 -1,-0.4 -0.927 77.7 -51.0 150.4-173.5 -2.9 9.6 32.2 80 123 A S S S+ 0 0 86 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.3 0.923 119.6 6.3 -65.5 -42.2 -3.2 10.6 28.5 81 124 A R - 0 0 94 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.929 63.7-164.5-138.3 158.8 -2.1 14.3 29.1 82 125 A F B -I 107 0B 15 25,-2.0 25,-1.7 -2,-0.3 3,-0.1 -0.970 30.0 -88.5-143.4 156.9 -0.8 16.4 32.0 83 126 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.152 44.6 -93.6 -64.8 158.4 -0.4 20.1 32.7 84 127 A D - 0 0 27 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.610 37.0-156.7 -64.2 119.4 2.5 22.4 31.9 85 128 A E - 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