==== 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 3RCI . 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) . 6878.0 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 . 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 . 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 . 15 9.1 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 . 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 X G 0 0 130 0, 0.0 3,-0.1 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0-171.0 20.4 13.8 42.3 2 45 X N - 0 0 33 1,-0.1 22,-0.1 22,-0.0 162,-0.0 -0.384 360.0 -97.8 -64.2 141.8 18.5 14.3 39.0 3 46 X P - 0 0 16 0, 0.0 20,-2.7 0, 0.0 2,-0.5 -0.270 27.5-152.5 -60.5 145.0 17.9 11.2 36.9 4 47 X L E +A 22 0A 47 18,-0.2 159,-2.9 -3,-0.1 160,-1.6 -0.987 22.7 175.8-112.3 126.7 20.2 10.4 34.0 5 48 X V E -AB 21 162A 0 16,-2.5 16,-2.7 -2,-0.5 2,-0.3 -0.805 14.0-144.1-125.3 168.0 18.5 8.4 31.2 6 49 X Y E -AB 20 161A 34 155,-2.3 155,-1.7 -2,-0.3 2,-0.4 -0.977 9.8-162.0-136.8 148.8 19.5 7.2 27.8 7 50 X L E -AB 19 160A 0 12,-2.3 12,-2.9 -2,-0.3 2,-0.5 -0.998 11.5-156.7-122.4 125.1 18.2 6.6 24.3 8 51 X D E -AB 18 159A 31 151,-3.0 150,-1.7 -2,-0.4 151,-1.2 -0.910 21.0-160.5 -99.1 126.6 20.0 4.3 21.9 9 52 X V E -AB 17 157A 1 8,-2.3 7,-3.3 -2,-0.5 8,-0.9 -0.925 14.4-169.1-121.8 131.6 19.1 5.2 18.4 10 53 X D E -AB 15 156A 35 146,-2.8 146,-1.9 -2,-0.4 2,-0.4 -0.793 9.8-154.4-104.3 156.0 19.3 3.3 15.0 11 54 X A E > S-AB 14 155A 3 3,-2.4 3,-1.7 -2,-0.3 144,-0.2 -0.978 86.0 -17.5-129.2 117.1 18.8 4.8 11.5 12 55 X N T 3 S- 0 0 103 142,-2.4 143,-0.1 -2,-0.4 -1,-0.1 0.880 130.5 -53.1 50.1 43.1 17.6 2.1 9.0 13 56 X G T 3 S+ 0 0 60 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.479 114.0 118.8 75.9 3.8 18.9 -0.6 11.5 14 57 X K E < -A 11 0A 51 -3,-1.7 -3,-2.4 1,-0.0 -1,-0.2 -0.894 69.6-116.1-102.1 127.0 22.3 0.9 11.8 15 58 X P E -A 10 0A 109 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.381 27.5-176.8 -68.3 133.1 23.3 2.1 15.3 16 59 X L E - 0 0 19 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.676 46.4-113.5 -93.1 -23.7 23.9 5.8 15.6 17 60 X G E -A 9 0A 34 -8,-0.9 -8,-2.3 120,-0.1 2,-0.4 -0.855 43.0 -42.1 120.5-159.4 25.0 5.7 19.3 18 61 X R E -A 8 0A 85 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.899 30.3-156.8-120.4 134.5 23.6 6.9 22.6 19 62 X V E -A 7 0A 0 -12,-2.9 -12,-2.3 -2,-0.4 2,-0.5 -0.958 15.8-160.7-104.3 121.6 21.9 10.1 23.7 20 63 X V E -AC 6 133A 5 113,-2.6 112,-2.8 -2,-0.5 113,-1.3 -0.923 9.3-165.8-103.9 132.4 22.2 10.7 27.5 21 64 X L E -AC 5 131A 0 -16,-2.7 -16,-2.5 -2,-0.5 2,-0.5 -0.955 17.1-144.3-122.5 134.0 19.8 13.1 29.0 22 65 X E E -AC 4 130A 37 108,-2.6 108,-1.7 -2,-0.4 2,-0.6 -0.858 19.1-148.1 -87.5 129.5 19.7 14.8 32.4 23 66 X L E - C 0 129A 0 -20,-2.7 2,-2.4 -2,-0.5 106,-0.3 -0.901 10.5-137.1-102.2 121.4 16.1 15.2 33.7 24 67 X K >> + 0 0 49 104,-3.0 4,-2.9 -2,-0.6 3,-1.7 -0.364 41.1 156.8 -83.6 66.5 15.7 18.3 35.8 25 68 X A T 34 + 0 0 30 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.711 68.2 68.0 -62.7 -23.1 13.5 16.7 38.5 26 69 X D T 34 S+ 0 0 110 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.818 116.3 23.7 -63.2 -30.7 14.7 19.5 40.8 27 70 X V T <4 S+ 0 0 41 -3,-1.7 -2,-0.2 1,-0.1 -1,-0.1 0.784 140.8 21.2-103.1 -40.0 12.7 22.0 38.7 28 71 X V X + 0 0 0 -4,-2.9 4,-3.0 100,-0.1 5,-0.3 -0.617 66.3 165.2-133.4 72.3 10.0 19.9 37.0 29 72 X P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 76.5 48.5 -63.3 -36.2 9.6 16.7 39.1 30 73 X K H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.897 116.0 43.4 -70.3 -40.4 6.3 15.5 37.6 31 74 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.910 114.7 49.8 -72.1 -45.3 7.5 16.1 34.0 32 75 X A H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.913 109.9 51.9 -56.7 -44.1 10.9 14.5 34.7 33 76 X E H X S+ 0 0 62 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.905 106.5 53.1 -65.5 -41.0 9.3 11.4 36.4 34 77 X N H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.959 113.1 42.9 -55.5 -52.3 7.0 10.8 33.4 35 78 X F H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.913 112.8 53.5 -63.7 -41.3 10.0 10.8 31.0 36 79 X R H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.944 110.9 45.1 -58.4 -50.2 12.1 8.7 33.3 37 80 X A H X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.7 0.829 110.0 54.6 -67.5 -32.1 9.4 6.0 33.7 38 81 X L H <5S+ 0 0 1 -4,-2.0 9,-2.1 -5,-0.3 10,-0.4 0.798 108.1 51.5 -71.1 -27.4 8.8 5.9 30.0 39 82 X C H <5S+ 0 0 2 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.887 114.8 40.4 -71.8 -40.6 12.5 5.3 29.4 40 83 X T H <5S- 0 0 53 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.771 96.8-140.9 -76.5 -26.3 12.6 2.4 31.9 41 84 X G T ><5 + 0 0 29 -4,-1.8 3,-2.2 -5,-0.2 -3,-0.2 0.594 52.7 143.6 74.3 14.2 9.3 1.0 30.6 42 85 X E T 3 < + 0 0 102 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.672 63.2 57.0 -65.5 -20.2 8.4 0.1 34.3 43 86 X K T 3 S- 0 0 111 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.500 126.3 -96.5 -86.0 -3.0 4.7 1.0 33.9 44 87 X G S < S+ 0 0 71 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.442 101.0 55.8 101.8 3.8 4.4 -1.5 31.1 45 88 X F + 0 0 58 -8,-0.2 -2,-0.5 -4,-0.0 -1,-0.3 -0.951 58.3 118.8-155.8 164.2 4.8 0.9 28.2 46 89 X G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 67.7 -45.4 162.5-160.2 7.3 3.5 27.0 47 90 X Y S > S+ 0 0 0 -9,-2.1 3,-2.3 -2,-0.3 110,-0.3 0.633 79.8 118.6 -82.7 -17.4 9.7 4.6 24.4 48 91 X K T 3 S+ 0 0 134 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.315 87.0 10.4 -58.5 128.0 11.5 1.3 23.5 49 92 X G T 3 S+ 0 0 50 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.328 103.9 115.6 88.5 -8.1 10.9 0.4 19.9 50 93 X S < - 0 0 2 -3,-2.3 107,-3.2 107,-0.3 -1,-0.3 -0.262 54.4-123.7 -90.6-178.4 9.3 3.7 19.0 51 94 X T B -D 156 0A 20 14,-0.3 2,-0.8 105,-0.2 13,-0.7 -0.737 17.7-112.1-128.0 163.8 10.6 6.4 16.5 52 95 X F E +E 63 0A 1 103,-2.3 103,-0.5 -2,-0.2 11,-0.3 -0.917 43.1 174.9 -90.1 107.4 11.7 9.9 15.9 53 96 X H E + 0 0 33 -2,-0.8 2,-0.4 9,-0.7 98,-0.3 0.585 60.1 39.7 -98.1 -14.7 8.8 10.7 13.5 54 97 X R E +E 62 0A 96 8,-1.4 8,-3.0 96,-0.1 2,-0.4 -0.939 62.3 167.2-142.3 114.5 9.4 14.4 12.9 55 98 X V E -E 61 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.4 -0.994 9.4-174.0-135.3 123.4 12.8 15.9 12.4 56 99 X I E >> -E 60 0A 26 4,-2.6 3,-1.4 -2,-0.4 4,-1.3 -0.970 27.0-123.6-124.1 111.8 13.4 19.4 11.0 57 100 X P T 34 S+ 0 0 54 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.261 96.3 16.2 -54.5 142.4 17.0 20.5 10.3 58 101 X S T 34 S+ 0 0 88 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.737 129.3 54.9 60.7 28.1 18.1 23.7 12.1 59 102 X F T <4 S- 0 0 34 -3,-1.4 56,-2.5 1,-0.1 57,-0.8 0.260 103.4 -54.8-142.3 -79.7 15.1 23.3 14.5 60 103 X M E < -EF 56 114A 1 -4,-1.3 -4,-2.6 54,-0.3 2,-0.5 -0.990 29.2-116.4-165.9 165.4 14.6 20.0 16.5 61 104 X C E -EF 55 113A 1 52,-2.4 52,-2.5 -2,-0.3 2,-0.4 -0.985 34.5-159.3-115.0 124.2 14.2 16.2 16.5 62 105 X Q E +EF 54 112A 16 -8,-3.0 -8,-1.4 -2,-0.5 -9,-0.7 -0.856 22.7 142.9-112.3 139.8 10.8 15.0 17.8 63 106 X A E +EF 52 111A 0 48,-2.6 48,-2.1 -2,-0.4 -11,-0.2 -0.759 24.8 97.1-148.3-171.0 9.9 11.6 19.2 64 107 X G + 0 0 0 -13,-0.7 2,-1.7 46,-0.3 11,-0.3 0.352 44.0 124.5 101.3 -3.0 7.7 9.9 21.9 65 108 X D > + 0 0 1 -14,-0.4 4,-1.3 1,-0.2 -14,-0.3 -0.616 24.7 159.6 -88.0 79.2 4.6 8.9 20.0 66 109 X F T 4 + 0 0 27 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.454 68.3 49.3 -83.2 -0.3 4.8 5.3 20.9 67 110 X T T 4 S+ 0 0 61 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.820 129.9 10.0-102.5 -42.2 1.1 4.6 20.2 68 111 X N T 4 S- 0 0 82 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.502 81.2-143.1-118.2 -14.3 0.5 6.1 16.7 69 112 X H S < S+ 0 0 93 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.696 81.5 78.8 62.8 24.8 4.1 6.9 15.5 70 113 X N S S- 0 0 96 -16,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.395 110.8 -88.2-144.5 2.2 3.0 10.1 13.8 71 114 X G S S+ 0 0 31 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.265 108.6 87.7 104.2 -9.7 2.5 12.9 16.3 72 115 X T S S+ 0 0 91 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.632 86.9 45.2 -94.0 -11.8 -1.1 12.2 17.1 73 116 X G + 0 0 6 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.007 50.5 107.4-117.3-151.2 -0.5 9.8 19.9 74 117 X G - 0 0 8 34,-0.1 2,-0.3 -9,-0.1 -9,-0.1 -0.076 39.1-145.4 91.9 163.2 1.4 9.0 23.1 75 118 X K - 0 0 81 -11,-0.3 5,-0.2 33,-0.1 2,-0.2 -0.964 11.2-118.9-159.3 158.5 0.3 9.0 26.7 76 119 X S B > -I 79 0B 3 3,-2.1 3,-0.6 -2,-0.3 33,-0.1 -0.468 29.3-111.2 -96.1 168.8 1.8 9.8 30.1 77 120 X I T 3 S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.620 119.2 53.5 -73.1 -9.1 2.2 7.6 33.1 78 121 X Y T 3 S- 0 0 110 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.618 127.6 -67.6 -96.6 -16.9 -0.5 9.8 34.8 79 122 X G B < S-I 76 0B 38 -3,-0.6 -3,-2.1 1,-0.1 -1,-0.4 -0.930 77.1 -45.1 145.3-170.4 -3.2 9.4 32.1 80 123 X S S S+ 0 0 86 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.1 0.918 120.3 2.9 -63.6 -43.0 -3.6 10.6 28.5 81 124 X R - 0 0 96 -6,-0.1 27,-0.2 -3,-0.1 -1,-0.1 -0.949 62.6-162.2-141.3 155.8 -2.4 14.2 29.2 82 125 X F B -J 107 0C 14 25,-2.0 25,-1.6 -2,-0.3 3,-0.1 -0.959 30.4 -88.6-140.5 159.1 -1.0 16.2 32.1 83 126 X P - 0 0 87 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.133 44.1 -93.5 -65.0 160.0 -0.6 20.0 32.8 84 127 X D - 0 0 25 1,-0.2 3,-0.1 41,-0.0 41,-0.0 -0.632 37.6-156.6 -65.0 114.7 2.2 22.3 32.0 85 128 X E - 0 0 45 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.958 57.8 -50.4 -66.5 -53.4 4.2 22.0 35.2 86 129 X N - 0 0 42 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.942 35.4-126.7-168.1 174.1 6.0 25.4 34.8 87 130 X F + 0 0 64 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.091 66.3 122.4-117.5 33.0 8.0 27.3 32.3 88 131 X T + 0 0 92 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.921 61.1 64.9 -66.6 -47.4 11.0 28.0 34.5 89 132 X L S S- 0 0 50 38,-0.4 38,-0.6 -3,-0.1 2,-0.2 -0.575 79.7-145.7 -78.6 144.2 13.6 26.4 32.2 90 133 X K - 0 0 95 -2,-0.2 2,-1.8 32,-0.1 3,-0.2 -0.656 24.1-106.4-113.7 160.6 14.1 28.1 28.9 91 134 X H + 0 0 1 -2,-0.2 31,-0.1 1,-0.2 30,-0.1 -0.614 55.5 159.5 -83.3 80.5 14.9 27.0 25.3 92 135 X V - 0 0 103 -2,-1.8 25,-0.2 1,-0.2 -1,-0.2 0.649 51.9 -45.3 -85.8 -18.2 18.5 28.3 25.6 93 136 X G S > S- 0 0 11 23,-0.3 3,-1.4 -3,-0.2 23,-0.3 -0.983 84.3 -26.8 173.5-177.2 20.3 26.4 22.8 94 137 X P T 3 S+ 0 0 84 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.275 116.1 37.2 -55.3 143.9 21.0 23.1 21.1 95 138 X G T 3 S+ 0 0 6 19,-3.1 36,-2.0 1,-0.3 2,-0.2 0.298 77.3 141.2 95.6 -10.8 20.6 20.0 23.4 96 139 X V E < -G 130 0A 8 -3,-1.4 18,-2.7 34,-0.2 2,-0.5 -0.481 42.1-146.6 -65.7 136.0 17.5 21.3 25.3 97 140 X L E +GH 129 113A 0 32,-2.6 31,-2.5 16,-0.2 32,-1.3 -0.932 28.4 165.9-109.5 125.5 14.9 18.6 26.0 98 141 X S E -GH 127 112A 0 14,-2.3 14,-2.7 -2,-0.5 2,-0.4 -0.937 37.4 -99.9-143.9 155.5 11.3 19.8 26.0 99 142 X M E - 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