==== 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 3RCK . 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) . 7047.0 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 0 127 0, 0.0 163,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0-164.4 20.4 14.0 42.3 2 45 X N - 0 0 35 1,-0.1 22,-0.1 20,-0.0 2,-0.0 -0.298 360.0-107.7 -69.0 138.3 18.9 14.4 38.8 3 46 X P - 0 0 16 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.310 21.0-149.2 -62.4 146.4 18.4 11.2 36.8 4 47 X L E +A 22 0A 48 18,-0.2 159,-2.8 16,-0.0 160,-1.6 -0.981 23.4 177.6-109.5 128.8 20.5 10.4 33.8 5 48 X V E -AB 21 162A 0 16,-2.5 16,-2.6 -2,-0.5 2,-0.3 -0.818 12.9-144.1-125.2 167.6 18.7 8.4 31.1 6 49 X Y E -AB 20 161A 33 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.970 10.3-162.1-136.2 150.5 19.7 7.0 27.7 7 50 X L E -AB 19 160A 0 12,-2.2 12,-2.9 -2,-0.3 2,-0.5 -0.996 11.1-157.3-126.1 121.5 18.3 6.5 24.2 8 51 X D E -AB 18 159A 30 151,-3.0 150,-1.8 -2,-0.4 151,-1.2 -0.898 22.0-160.7 -95.9 128.0 20.1 4.1 21.8 9 52 X V E -AB 17 157A 1 8,-2.3 7,-3.2 -2,-0.5 8,-0.9 -0.933 15.2-167.1-124.4 134.0 19.2 5.0 18.3 10 53 X D E -AB 15 156A 33 146,-2.9 146,-2.0 -2,-0.4 2,-0.4 -0.808 9.2-154.8-104.1 152.1 19.3 3.2 14.9 11 54 X A E > S-AB 14 155A 4 3,-2.5 3,-1.8 -2,-0.3 144,-0.2 -0.984 86.3 -18.0-122.8 119.3 18.8 4.6 11.4 12 55 X N T 3 S- 0 0 84 142,-2.5 143,-0.1 -2,-0.4 -1,-0.1 0.876 130.6 -52.0 51.8 41.4 17.6 1.9 9.0 13 56 X G T 3 S+ 0 0 58 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.464 114.8 116.9 80.2 2.5 18.7 -0.8 11.4 14 57 X K E < S-A 11 0A 146 -3,-1.8 -3,-2.5 2,-0.0 -1,-0.2 -0.899 70.2-114.6-107.1 128.2 22.3 0.6 11.8 15 58 X P E -A 10 0A 110 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.397 27.9-178.5 -68.4 129.8 23.3 1.9 15.2 16 59 X L E - 0 0 21 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.643 47.5-112.1 -92.4 -23.4 24.0 5.6 15.5 17 60 X G E -A 9 0A 34 -8,-0.9 -8,-2.3 120,-0.1 2,-0.4 -0.828 42.9 -42.8 121.9-160.8 25.0 5.5 19.1 18 61 X R E -A 8 0A 88 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.900 30.9-155.9-119.7 133.1 23.7 6.7 22.5 19 62 X V E -A 7 0A 0 -12,-2.9 -12,-2.2 -2,-0.4 2,-0.5 -0.943 15.3-159.4-102.4 125.2 22.1 10.0 23.6 20 63 X V E -AC 6 133A 5 113,-2.8 112,-2.7 -2,-0.5 113,-1.2 -0.919 9.6-167.0-108.0 130.7 22.4 10.6 27.3 21 64 X L E -AC 5 131A 0 -16,-2.6 -16,-2.5 -2,-0.5 2,-0.5 -0.955 17.2-144.2-121.0 133.9 20.0 13.1 28.9 22 65 X E E -AC 4 130A 50 108,-2.6 108,-1.4 -2,-0.4 2,-0.5 -0.864 19.2-148.4 -88.5 129.4 20.0 14.8 32.3 23 66 X L E - C 0 129A 0 -20,-2.5 2,-2.3 -2,-0.5 106,-0.3 -0.892 10.4-136.8-103.0 123.2 16.4 15.1 33.5 24 67 X K >> + 0 0 42 104,-2.8 4,-2.9 -2,-0.5 3,-1.6 -0.404 41.0 156.7 -86.2 68.0 16.0 18.3 35.6 25 68 X A T 34 + 0 0 31 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.725 68.0 67.5 -64.2 -23.8 13.9 16.7 38.4 26 69 X D T 34 S+ 0 0 117 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.768 116.4 24.3 -65.4 -24.4 15.1 19.5 40.7 27 70 X V T <4 S+ 0 0 43 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.778 140.3 20.7-107.2 -42.8 13.1 22.0 38.6 28 71 X V X + 0 0 0 -4,-2.9 4,-2.9 100,-0.1 5,-0.3 -0.635 66.7 165.7-130.6 71.4 10.3 19.9 36.9 29 72 X P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.869 76.0 48.9 -61.9 -38.5 10.0 16.8 39.0 30 73 X K H > S+ 0 0 134 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.914 115.6 43.8 -67.4 -41.3 6.6 15.6 37.5 31 74 X T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.913 114.6 49.6 -70.9 -41.7 7.8 16.1 33.9 32 75 X A H X S+ 0 0 1 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.921 109.9 51.3 -61.3 -43.3 11.2 14.5 34.6 33 76 X E H X S+ 0 0 64 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.897 106.4 54.0 -64.8 -40.5 9.6 11.5 36.3 34 77 X N H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.962 113.1 42.7 -54.8 -52.7 7.3 10.9 33.3 35 78 X F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.921 112.9 53.2 -63.2 -42.7 10.2 10.8 30.9 36 79 X R H X S+ 0 0 28 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.948 111.4 44.9 -56.4 -52.4 12.3 8.6 33.3 37 80 X A H X>S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 5,-0.6 0.839 110.1 54.4 -65.4 -31.8 9.7 6.0 33.7 38 81 X L H <5S+ 0 0 1 -4,-2.0 9,-2.0 -5,-0.2 10,-0.5 0.810 108.4 51.2 -71.6 -27.7 8.9 5.9 29.9 39 82 X C H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -3,-0.3 121,-0.2 0.899 115.0 40.2 -70.9 -43.5 12.7 5.3 29.4 40 83 X T H <5S- 0 0 52 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.772 96.7-141.5 -75.5 -25.2 12.8 2.3 31.8 41 84 X G T ><5 + 0 0 28 -4,-1.9 3,-2.2 -5,-0.2 -3,-0.2 0.606 51.3 145.2 73.9 14.4 9.4 1.0 30.6 42 85 X E T 3 < + 0 0 101 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.660 63.1 56.4 -64.4 -19.7 8.6 0.2 34.3 43 86 X K T 3 S- 0 0 111 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.507 126.5 -95.1 -86.9 -5.9 4.9 1.0 34.0 44 87 X G S < S+ 0 0 71 -3,-2.2 2,-0.3 1,-0.3 -2,-0.2 0.422 101.3 56.5 106.7 1.4 4.5 -1.5 31.1 45 88 X F + 0 0 61 -8,-0.2 -2,-0.5 -4,-0.1 -1,-0.3 -0.968 58.1 118.3-153.7 164.4 4.9 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 67.0 -46.5 164.1-162.2 7.4 3.5 27.0 47 90 X Y S > S+ 0 0 0 -9,-2.0 3,-2.4 -2,-0.3 110,-0.3 0.652 80.9 116.8 -80.9 -19.4 9.8 4.6 24.4 48 91 X K T 3 S+ 0 0 136 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.309 87.2 11.5 -59.1 126.9 11.6 1.4 23.5 49 92 X G T 3 S+ 0 0 50 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.333 103.7 115.2 90.4 -6.4 10.9 0.4 19.9 50 93 X S < - 0 0 2 -3,-2.4 107,-3.1 107,-0.3 -1,-0.3 -0.295 54.9-121.8 -92.3-180.0 9.4 3.7 19.0 51 94 X T B -D 156 0A 8 14,-0.3 2,-0.9 105,-0.2 13,-0.8 -0.689 17.7-111.8-123.3 163.6 10.7 6.3 16.5 52 95 X F E +E 63 0A 2 103,-2.0 103,-0.5 -2,-0.2 11,-0.3 -0.912 43.2 176.1 -87.0 105.3 11.8 9.8 15.8 53 96 X H E + 0 0 31 -2,-0.9 2,-0.4 9,-0.6 98,-0.3 0.616 60.5 36.8 -91.7 -17.2 8.8 10.7 13.6 54 97 X R E +E 62 0A 101 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.949 62.3 167.8-144.2 116.7 9.5 14.4 12.8 55 98 X V E -E 61 0A 0 94,-2.3 91,-2.0 -2,-0.4 94,-0.3 -0.986 8.9-174.6-136.8 120.3 12.9 15.8 12.3 56 99 X I E >> -E 60 0A 24 4,-2.6 4,-1.6 -2,-0.4 3,-1.3 -0.962 28.0-123.5-118.7 117.1 13.6 19.3 10.9 57 100 X P T 34 S+ 0 0 51 0, 0.0 86,-0.1 0, 0.0 82,-0.0 -0.275 96.5 17.9 -62.3 144.0 17.2 20.3 10.2 58 101 X S T 34 S+ 0 0 84 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.757 130.7 51.5 61.9 30.1 18.4 23.4 12.0 59 102 X F T <4 S- 0 0 46 -3,-1.3 56,-2.4 54,-0.1 57,-0.8 0.251 102.7 -40.0-147.4 -75.1 15.5 23.1 14.4 60 103 X M E < -EF 56 114A 10 -4,-1.6 -4,-2.6 54,-0.3 2,-0.5 -0.998 27.4-127.5-166.7 156.8 14.7 19.9 16.3 61 104 X C E -EF 55 113A 0 52,-2.4 52,-2.3 -2,-0.3 2,-0.4 -0.982 33.3-162.2-117.7 118.6 14.4 16.1 16.5 62 105 X Q E +EF 54 112A 25 -8,-3.1 -8,-1.4 -2,-0.5 -9,-0.6 -0.819 21.4 141.1-112.5 140.4 11.0 14.9 17.7 63 106 X A E +EF 52 111A 0 48,-2.6 48,-2.1 -2,-0.4 -11,-0.2 -0.765 23.8 97.2-151.3-172.1 10.0 11.5 19.1 64 107 X G + 0 0 0 -13,-0.8 2,-1.5 46,-0.3 11,-0.3 0.426 42.7 128.0 97.9 0.7 7.9 9.8 21.8 65 108 X D > + 0 0 1 -14,-0.4 4,-1.1 1,-0.2 -14,-0.3 -0.662 22.6 159.1 -87.1 82.4 4.7 8.8 19.9 66 109 X F T 4 + 0 0 28 -2,-1.5 -1,-0.2 1,-0.1 -20,-0.1 0.457 67.3 49.9 -87.9 -0.4 4.8 5.2 21.0 67 110 X T T 4 S+ 0 0 57 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.832 129.4 10.2 -99.6 -44.7 1.1 4.6 20.3 68 111 X N T 4 S- 0 0 87 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.540 80.4-143.5-116.2 -13.8 0.6 6.0 16.8 69 112 X H S < S+ 0 0 94 -4,-1.1 -3,-0.1 1,-0.1 -17,-0.0 0.702 80.8 80.7 59.6 25.1 4.1 6.6 15.5 70 113 X N S S- 0 0 100 -19,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.392 110.5 -88.7-142.5 5.4 3.0 9.8 13.6 71 114 X G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.345 108.5 87.9 100.7 -6.3 2.8 12.7 16.0 72 115 X T S S+ 0 0 100 -7,-0.1 2,-0.0 0, 0.0 -7,-0.0 0.641 85.9 46.7 -93.3 -16.7 -0.8 12.2 17.0 73 116 X G + 0 0 13 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.033 47.3 106.7-118.2-154.7 -0.2 9.9 19.9 74 117 X G - 0 0 19 -9,-0.2 2,-0.3 35,-0.1 -9,-0.1 -0.134 39.8-141.5 95.6 160.7 1.6 8.9 23.1 75 118 X K - 0 0 89 -11,-0.3 5,-0.2 33,-0.1 33,-0.2 -0.980 11.5-117.8-153.2 159.4 0.5 9.1 26.7 76 119 X S B > -I 79 0B 3 3,-1.7 3,-0.6 -2,-0.3 33,-0.1 -0.435 29.8-110.7 -92.4 169.8 2.0 10.0 30.0 77 120 X I T 3 S+ 0 0 33 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.628 118.3 52.5 -71.2 -12.3 2.5 7.8 33.1 78 121 X Y T 3 S- 0 0 107 1,-0.4 2,-0.3 30,-0.1 -1,-0.2 0.617 127.4 -64.8 -95.7 -15.9 -0.3 9.8 34.8 79 122 X G B < S-I 76 0B 38 -3,-0.6 -3,-1.7 1,-0.1 -1,-0.4 -0.939 77.9 -46.4 147.0-170.9 -3.0 9.6 32.2 80 123 X S S S+ 0 0 89 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.1 0.873 119.9 2.7 -67.9 -35.0 -3.5 10.7 28.6 81 124 X R - 0 0 148 -6,-0.1 27,-0.2 27,-0.1 -1,-0.1 -0.970 62.3-162.0-146.3 156.5 -2.2 14.3 29.2 82 125 X F B -J 107 0C 14 25,-1.9 25,-1.5 -2,-0.3 3,-0.1 -0.968 30.4 -90.8-140.8 159.2 -0.8 16.4 32.1 83 126 X P - 0 0 84 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.152 44.5 -92.6 -68.3 161.4 -0.4 20.1 32.8 84 127 X D - 0 0 25 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.619 38.0-156.5 -65.9 118.4 2.5 22.3 32.0 85 128 X E - 0 0 48 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.955 58.4 -45.5 -72.5 -52.1 4.5 22.1 35.2 86 129 X N - 0 0 42 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.942 36.4-130.8-164.6 171.3 6.4 25.3 34.8 87 130 X F + 0 0 64 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.111 65.6 122.5-116.9 34.8 8.3 27.3 32.2 88 131 X T + 0 0 92 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.918 59.9 64.2 -69.1 -44.9 11.3 28.0 34.4 89 132 X L S S- 0 0 38 38,-0.4 38,-0.5 -3,-0.1 2,-0.2 -0.568 79.6-145.9 -78.6 142.8 14.0 26.4 32.1 90 133 X K - 0 0 98 -2,-0.2 2,-1.7 32,-0.1 3,-0.1 -0.691 24.6-104.5-112.8 162.6 14.4 28.0 28.8 91 134 X H + 0 0 0 -2,-0.2 27,-0.2 1,-0.2 31,-0.1 -0.626 53.7 163.4 -83.5 82.6 15.3 26.8 25.2 92 135 X V - 0 0 102 -2,-1.7 25,-0.2 1,-0.2 -1,-0.2 0.620 51.4 -52.2 -86.8 -15.7 18.8 28.2 25.5 93 136 X G S > S- 0 0 9 23,-0.3 3,-1.4 -3,-0.1 23,-0.3 -0.987 85.0 -19.9 168.1-174.1 20.5 26.3 22.6 94 137 X P T 3 S+ 0 0 84 0, 0.0 21,-0.3 0, 0.0 23,-0.1 -0.282 116.0 37.3 -56.5 142.5 21.3 23.0 20.9 95 138 X G T 3 S+ 0 0 6 19,-3.1 36,-1.8 1,-0.3 20,-0.1 0.232 76.9 142.0 98.7 -11.0 20.8 20.0 23.2 96 139 X V E < -G 130 0A 7 -3,-1.4 18,-2.6 34,-0.2 2,-0.5 -0.411 41.7-146.6 -65.1 135.3 17.7 21.2 25.1 97 140 X L E +GH 129 113A 0 32,-2.5 31,-2.6 16,-0.2 32,-1.2 -0.936 29.1 166.0-106.5 123.8 15.2 18.5 25.9 98 141 X S E -GH 127 112A 0 14,-2.4 14,-2.7 -2,-0.5 2,-0.4 -0.943 36.7-101.5-142.3 154.5 11.6 19.8 25.8 99 142 X M E - 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