==== 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 17-MAR-11 3R4G . 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 . 13 7.9 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 0 126 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.0 20.7 14.1 42.1 2 45 A N - 0 0 36 1,-0.1 22,-0.1 20,-0.0 0, 0.0 -0.322 360.0 -99.4 -63.2 141.5 18.9 14.6 38.8 3 46 A P - 0 0 16 0, 0.0 20,-2.6 0, 0.0 2,-0.5 -0.291 26.1-150.8 -63.0 145.3 18.3 11.5 36.7 4 47 A L E +A 22 0A 48 18,-0.2 159,-2.7 16,-0.0 160,-1.5 -0.980 23.0 175.0-110.2 129.3 20.5 10.6 33.8 5 48 A V E -AB 21 162A 0 16,-2.7 16,-2.8 -2,-0.5 2,-0.3 -0.830 13.4-145.1-128.8 167.4 18.8 8.6 31.1 6 49 A Y E -AB 20 161A 46 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.975 10.8-160.5-138.1 152.6 19.8 7.4 27.6 7 50 A L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.997 11.2-157.0-126.3 122.9 18.5 6.7 24.1 8 51 A D E -AB 18 159A 30 151,-3.1 150,-1.7 -2,-0.4 151,-1.1 -0.905 22.6-161.1 -97.9 126.8 20.4 4.4 21.8 9 52 A V E -AB 17 157A 2 8,-2.3 7,-3.3 -2,-0.5 8,-0.9 -0.922 15.3-168.9-123.3 133.2 19.4 5.3 18.2 10 53 A D E -AB 15 156A 34 146,-2.7 146,-2.0 -2,-0.4 2,-0.4 -0.833 10.8-153.2-105.3 154.2 19.6 3.4 14.9 11 54 A A E > S-AB 14 155A 5 3,-2.4 3,-2.3 -2,-0.3 144,-0.2 -0.989 87.5 -19.5-123.5 119.2 19.1 4.8 11.4 12 55 A N T 3 S- 0 0 103 142,-2.5 143,-0.1 -2,-0.4 -1,-0.1 0.871 130.5 -52.5 50.1 40.3 17.9 2.1 9.0 13 56 A G T 3 S+ 0 0 57 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.443 112.3 121.1 78.6 -0.8 19.2 -0.4 11.5 14 57 A K E < -A 11 0A 150 -3,-2.3 -3,-2.4 2,-0.0 -1,-0.2 -0.866 68.0-119.5 -95.5 124.1 22.7 1.1 11.7 15 58 A P E -A 10 0A 91 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.407 27.1-176.1 -64.8 132.9 23.6 2.2 15.2 16 59 A L E - 0 0 25 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.652 45.0-111.6 -94.0 -24.2 24.3 5.9 15.6 17 60 A G E -A 9 0A 34 -8,-0.9 -8,-2.3 120,-0.1 2,-0.4 -0.837 43.6 -41.8 121.4-162.1 25.3 5.8 19.2 18 61 A R E -A 8 0A 87 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.886 30.3-156.7-117.6 134.1 23.9 7.0 22.5 19 62 A V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.950 16.1-159.4-103.2 123.1 22.2 10.2 23.6 20 63 A V E -AC 6 133A 5 113,-2.7 112,-3.1 -2,-0.5 113,-1.2 -0.913 9.3-167.3-104.8 132.2 22.5 10.9 27.3 21 64 A L E -AC 5 131A 0 -16,-2.8 -16,-2.7 -2,-0.5 2,-0.5 -0.958 15.8-147.5-124.0 132.8 20.0 13.3 28.9 22 65 A E E -AC 4 130A 38 108,-2.6 108,-1.7 -2,-0.4 2,-0.5 -0.891 19.6-146.5 -94.5 128.7 20.0 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 -0.853 10.2-135.0-100.9 127.3 16.4 15.5 33.5 24 67 A K >> + 0 0 56 104,-2.7 4,-3.0 -2,-0.5 3,-1.3 -0.409 41.1 157.3 -83.8 66.4 15.9 18.6 35.6 25 68 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.739 69.5 64.3 -62.1 -24.2 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 0.810 116.2 27.8 -66.6 -29.6 14.7 19.7 40.7 27 70 A V T <4 S+ 0 0 39 -3,-1.3 -2,-0.2 1,-0.2 -1,-0.1 0.811 140.3 17.6 -98.5 -42.4 12.8 22.2 38.5 28 71 A V X + 0 0 0 -4,-3.0 4,-2.9 100,-0.1 5,-0.3 -0.638 67.5 166.5-134.2 70.1 10.1 20.0 36.9 29 72 A P H > S+ 0 0 60 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.871 76.7 48.7 -60.6 -38.4 9.8 16.8 38.9 30 73 A K H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.905 115.2 43.7 -69.4 -40.0 6.6 15.6 37.4 31 74 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 115.3 49.1 -71.4 -42.9 7.7 16.1 33.8 32 75 A A H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.918 109.8 52.0 -60.6 -44.1 11.2 14.6 34.5 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 -63.2 -42.2 9.6 11.6 36.2 34 77 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.957 113.1 43.5 -54.8 -52.9 7.3 10.9 33.2 35 78 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.921 112.7 52.8 -62.6 -44.5 10.2 10.9 30.8 36 79 A R H X S+ 0 0 27 -4,-2.8 4,-2.0 1,-0.2 3,-0.2 0.938 111.5 45.3 -54.4 -51.7 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 0.831 109.8 54.6 -66.0 -33.6 9.8 6.1 33.5 38 81 A L H <5S+ 0 0 1 -4,-2.1 9,-1.9 -5,-0.2 10,-0.5 0.826 108.0 51.7 -69.4 -29.9 9.1 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 0.908 114.6 40.4 -68.6 -44.0 12.8 5.4 29.2 40 83 A T H <5S- 0 0 52 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.770 96.9-141.0 -75.1 -24.8 12.9 2.5 31.6 41 84 A G T ><5 + 0 0 28 -4,-1.8 3,-2.4 -5,-0.2 -3,-0.2 0.579 51.9 144.8 74.3 12.4 9.5 1.1 30.4 42 85 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.660 63.2 56.8 -63.4 -19.8 8.7 0.3 34.1 43 86 A K T 3 S- 0 0 105 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.448 126.2 -96.3 -87.1 -1.9 5.0 1.0 33.7 44 87 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.495 101.0 56.0 100.9 6.1 4.7 -1.5 30.9 45 88 A F + 0 0 55 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.955 58.6 114.0-157.8 164.8 5.0 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 69.6 -41.3 157.5-161.2 7.5 3.6 26.8 47 90 A Y S > S+ 0 0 0 -9,-1.9 3,-2.4 -2,-0.3 110,-0.3 0.640 79.9 118.8 -80.3 -19.4 10.0 4.7 24.2 48 91 A K T 3 S+ 0 0 133 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.288 88.2 8.9 -56.3 126.0 11.8 1.4 23.4 49 92 A G T 3 S+ 0 0 48 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.304 103.1 118.2 89.5 -7.5 11.3 0.6 19.7 50 93 A S < - 0 0 2 -3,-2.4 107,-3.1 107,-0.3 -1,-0.3 -0.229 53.3-121.9 -88.6-179.8 9.7 3.9 18.8 51 94 A T B -D 156 0A 21 14,-0.3 2,-0.9 105,-0.2 13,-0.8 -0.747 17.1-115.6-124.6 160.9 10.9 6.5 16.3 52 95 A F E +E 63 0A 1 103,-2.2 103,-0.5 -2,-0.3 11,-0.3 -0.905 43.6 174.0 -86.3 104.0 12.0 10.1 15.7 53 96 A H E + 0 0 32 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.613 59.8 40.3 -94.3 -15.5 9.1 10.8 13.4 54 97 A R E +E 62 0A 96 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.955 63.5 165.5-141.7 113.5 9.6 14.5 12.7 55 98 A V E -E 61 0A 0 94,-2.2 91,-2.1 -2,-0.4 94,-0.4 -0.993 10.6-173.7-137.8 124.4 13.1 16.0 12.2 56 99 A I E >> -E 60 0A 28 4,-2.7 3,-1.4 -2,-0.4 4,-1.3 -0.968 27.1-123.0-125.6 114.1 13.8 19.5 10.8 57 100 A P T 34 S+ 0 0 53 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.258 97.5 17.1 -57.2 142.1 17.4 20.6 10.1 58 101 A S T 34 S+ 0 0 88 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.724 129.6 54.0 63.4 26.6 18.4 23.8 12.0 59 102 A F T <4 S- 0 0 34 -3,-1.4 56,-2.6 1,-0.1 57,-0.8 0.282 102.2 -52.3-142.5 -79.1 15.4 23.3 14.3 60 103 A M E < -EF 56 114A 1 -4,-1.3 -4,-2.7 54,-0.3 2,-0.5 -0.990 28.7-118.7-168.3 164.1 14.8 20.1 16.3 61 104 A C E -EF 55 113A 0 52,-2.2 52,-2.4 -2,-0.3 2,-0.4 -0.988 32.7-160.4-118.7 120.4 14.4 16.3 16.4 62 105 A Q E +EF 54 112A 17 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.6 -0.845 22.5 142.4-112.2 140.0 11.0 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 -0.776 24.7 96.3-149.6-173.5 10.2 11.6 19.0 64 107 A G + 0 0 0 -13,-0.8 2,-1.7 46,-0.3 3,-0.1 0.381 43.0 126.5 103.1 -4.2 8.0 9.9 21.7 65 108 A D > + 0 0 1 -14,-0.4 4,-1.3 1,-0.2 -14,-0.3 -0.610 23.9 161.3 -86.3 81.4 4.9 8.9 19.8 66 109 A F T 4 + 0 0 28 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.474 68.8 47.1 -84.7 -0.2 5.0 5.3 20.8 67 110 A T T 4 S+ 0 0 63 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.819 129.9 11.7-103.3 -43.0 1.4 4.6 20.0 68 111 A N T 4 S- 0 0 81 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.522 80.6-144.5-115.8 -12.8 0.8 6.2 16.5 69 112 A H S < S+ 0 0 95 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.712 80.9 79.4 59.2 26.5 4.3 6.9 15.4 70 113 A N S S- 0 0 96 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.389 111.3 -87.6-147.2 3.4 3.2 10.1 13.6 71 114 A G S S+ 0 0 31 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.298 108.7 86.3 103.0 -7.8 2.8 13.0 16.1 72 115 A T S S+ 0 0 87 -7,-0.1 2,-0.0 30,-0.0 30,-0.0 0.618 86.1 46.4 -96.1 -15.4 -0.8 12.3 17.1 73 116 A G + 0 0 6 2,-0.0 36,-0.4 -8,-0.0 37,-0.3 0.001 49.7 107.4-113.9-149.5 -0.3 9.8 19.9 74 117 A G - 0 0 8 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.045 40.1-141.1 90.9 161.5 1.6 8.9 23.0 75 118 A K - 0 0 80 33,-0.1 5,-0.2 -2,-0.1 33,-0.2 -0.978 10.6-123.0-153.5 154.5 0.5 8.9 26.6 76 119 A S - 0 0 3 3,-1.8 3,-0.5 -2,-0.3 33,-0.1 -0.447 30.3-108.7 -91.2 172.3 2.1 9.8 29.9 77 120 A I S S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.641 119.1 52.1 -71.4 -14.0 2.5 7.7 33.0 78 121 A Y S S- 0 0 110 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.635 128.9 -61.7 -93.3 -19.9 -0.2 9.8 34.7 79 122 A G S S- 0 0 38 -3,-0.5 -3,-1.8 1,-0.1 -1,-0.4 -0.928 78.1 -50.9 151.0-174.1 -2.9 9.5 32.0 80 123 A S S S+ 0 0 86 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.2 0.920 119.7 6.2 -64.0 -41.4 -3.2 10.5 28.4 81 124 A R - 0 0 99 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.937 63.6-163.5-138.4 158.3 -2.1 14.1 29.0 82 125 A F B -I 107 0B 15 25,-2.1 25,-1.7 -2,-0.3 3,-0.1 -0.968 29.6 -90.6-142.6 158.9 -0.8 16.2 31.8 83 126 A P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.144 44.8 -91.5 -69.1 161.0 -0.5 20.0 32.5 84 127 A D - 0 0 25 1,-0.2 3,-0.1 40,-0.0 41,-0.0 -0.605 37.2-157.3 -64.8 118.1 2.4 22.3 31.8 85 128 A E - 0 0 46 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.957 58.6 -47.2 -70.7 -53.4 4.4 22.1 35.0 86 129 A N - 0 0 43 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.942 35.7-130.1-166.6 170.9 6.2 25.4 34.6 87 130 A F + 0 0 64 -2,-0.3 36,-0.2 39,-0.1 38,-0.1 -0.078 65.5 122.4-115.5 31.3 8.1 27.4 32.0 88 131 A T + 0 0 95 -61,-0.1 2,-0.3 39,-0.1 -1,-0.1 0.907 60.6 64.6 -66.3 -45.8 11.1 28.2 34.2 89 132 A L S S- 0 0 47 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.596 79.7-144.7 -78.5 143.0 13.7 26.6 32.0 90 133 A K - 0 0 94 -2,-0.3 2,-1.9 32,-0.1 3,-0.2 -0.664 24.4-106.0-111.4 161.5 14.2 28.2 28.6 91 134 A H + 0 0 1 -2,-0.2 27,-0.8 1,-0.2 31,-0.1 -0.576 54.8 162.7 -82.8 77.6 15.0 27.0 25.1 92 135 A V - 0 0 108 -2,-1.9 25,-0.2 25,-0.2 -1,-0.2 0.661 50.0 -53.2 -81.3 -20.2 18.6 28.3 25.4 93 136 A G S > S- 0 0 9 23,-0.3 3,-1.5 -3,-0.2 23,-0.3 -0.987 84.8 -17.7 170.0-173.5 20.4 26.5 22.6 94 137 A P T 3 S+ 0 0 83 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.289 116.7 35.3 -56.8 141.8 21.3 23.2 21.0 95 138 A G T 3 S+ 0 0 5 19,-3.0 36,-2.2 1,-0.3 2,-0.1 0.276 76.9 143.0 95.9 -8.4 20.8 20.2 23.2 96 139 A V E < -G 130 0A 7 -3,-1.5 18,-2.7 34,-0.2 2,-0.5 -0.450 40.2-148.2 -64.7 135.4 17.7 21.4 25.1 97 140 A L E +GH 129 113A 0 32,-2.4 31,-2.5 16,-0.2 32,-1.3 -0.943 28.7 164.8-108.1 122.9 15.1 18.7 25.8 98 141 A S E -GH 127 112A 0 14,-2.4 14,-2.6 -2,-0.5 2,-0.4 -0.930 38.0 -98.8-142.2 155.3 11.5 19.9 25.8 99 142 A M E - 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