==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER INHIBITOR 13-MAR-06 2CH9 . COMPND 2 MOLECULE: CYSTATIN F; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.W.SCHUETTELKOPF,D.M.F.VAN AALTEN . 126 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 82 65.1 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 . 42 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 14 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 0 0 0 0 0 1 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 . 1 1 0 0 0 0 0 1 0 1 0 1 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 1 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 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 25 A T 0 0 167 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 72.3 6.5 -7.6 63.9 2 26 A a + 0 0 120 1,-0.1 2,-1.3 2,-0.1 0, 0.0 -0.369 360.0 140.2 -93.5 50.8 9.4 -8.0 61.5 3 27 A S + 0 0 107 -2,-0.8 2,-0.2 2,-0.1 -1,-0.1 -0.368 39.9 128.3 -91.0 54.5 7.7 -6.1 58.6 4 28 A Q S S- 0 0 137 -2,-1.3 2,-1.0 2,-0.0 3,-0.1 -0.658 70.5-120.1-116.4 163.3 10.9 -4.4 57.7 5 29 A D > + 0 0 97 -2,-0.2 3,-0.5 1,-0.1 -2,-0.1 -0.777 48.6 154.0 -97.8 82.4 13.1 -3.7 54.7 6 30 A L T 3 S+ 0 0 155 -2,-1.0 -1,-0.1 1,-0.2 -3,-0.0 0.404 70.0 42.1 -98.1 -1.6 16.2 -5.4 56.1 7 31 A N T 3 S+ 0 0 153 -3,-0.1 -1,-0.2 3,-0.0 -2,-0.0 -0.298 83.4 172.7-137.1 47.3 17.9 -6.3 52.8 8 32 A S < - 0 0 41 -3,-0.5 -3,-0.0 1,-0.1 -2,-0.0 -0.263 36.5-140.3 -64.1 142.5 17.2 -3.1 51.0 9 33 A R S S+ 0 0 253 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.675 88.3 53.2 -74.9 -18.7 18.7 -2.6 47.5 10 34 A V S S- 0 0 103 3,-0.0 -2,-0.1 0, 0.0 3,-0.0 -0.897 93.3-106.6-120.6 146.3 19.4 1.1 48.4 11 35 A K - 0 0 187 -2,-0.3 -2,-0.1 1,-0.1 0, 0.0 -0.548 49.5-110.8 -64.2 125.8 21.1 2.8 51.4 12 36 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 47,-0.1 -0.320 30.1-119.2 -66.4 144.6 18.3 4.2 53.5 13 37 A G - 0 0 22 45,-1.0 44,-0.1 -3,-0.0 -3,-0.0 -0.527 16.6-143.7 -79.3 147.3 18.0 8.0 53.6 14 38 A F - 0 0 161 -2,-0.2 44,-0.3 42,-0.1 42,-0.1 -0.832 36.2 -92.3-104.2 147.4 18.3 10.1 56.8 15 39 A P - 0 0 23 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.397 47.0-167.4 -62.4 134.8 16.1 13.2 57.4 16 40 A K E -A 56 0A 124 40,-2.6 40,-2.4 -2,-0.1 -3,-0.0 -0.942 27.7 -96.9-122.7 147.0 17.8 16.4 56.2 17 41 A T E -A 55 0A 122 -2,-0.3 2,-0.3 38,-0.2 38,-0.2 -0.280 42.3-174.5 -53.6 140.8 16.9 20.1 56.7 18 42 A I - 0 0 35 36,-1.7 36,-0.3 4,-0.0 -1,-0.0 -0.986 33.6 -92.9-139.9 147.3 14.9 21.6 53.9 19 43 A K > - 0 0 156 -2,-0.3 3,-1.4 1,-0.1 6,-0.2 -0.306 29.3-131.6 -59.0 142.0 13.8 25.3 53.4 20 44 A T T 3 S+ 0 0 59 1,-0.3 -1,-0.1 32,-0.1 31,-0.1 0.534 106.1 53.6 -79.8 -5.3 10.3 26.0 54.7 21 45 A N T 3 S+ 0 0 114 4,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.253 75.3 130.8-107.1 10.1 9.3 27.7 51.4 22 46 A D <> - 0 0 52 -3,-1.4 4,-2.6 1,-0.1 3,-0.2 -0.430 66.8-125.7 -60.6 131.9 10.3 24.7 49.2 23 47 A P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.872 111.7 50.6 -53.6 -38.1 7.4 24.0 46.8 24 48 A G H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.891 110.3 49.2 -63.9 -42.7 7.4 20.4 48.0 25 49 A V H > S+ 0 0 0 -3,-0.2 4,-2.2 -6,-0.2 -1,-0.2 0.905 110.1 52.2 -59.8 -42.6 7.3 21.4 51.6 26 50 A L H X S+ 0 0 80 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.895 110.8 46.4 -63.5 -41.3 4.5 23.8 50.9 27 51 A Q H X S+ 0 0 90 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.866 110.6 53.7 -68.3 -36.7 2.4 21.1 49.2 28 52 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.900 106.4 51.8 -65.6 -39.6 3.1 18.7 52.1 29 53 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.838 108.2 52.8 -64.5 -34.6 1.8 21.3 54.6 30 54 A R H X S+ 0 0 26 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.910 107.6 50.6 -64.9 -45.5 -1.4 21.6 52.5 31 55 A Y H X S+ 0 0 42 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 108.3 54.9 -55.4 -40.9 -1.8 17.8 52.7 32 56 A S H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.930 109.3 44.0 -60.7 -48.4 -1.4 18.0 56.5 33 57 A V H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 13,-0.3 0.827 111.5 54.6 -71.0 -28.2 -4.1 20.6 57.0 34 58 A E H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.866 106.9 50.6 -69.3 -37.8 -6.4 18.6 54.6 35 59 A K H X S+ 0 0 86 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.908 110.7 51.4 -60.7 -41.9 -5.8 15.5 56.7 36 60 A F H X S+ 0 0 23 -4,-2.1 4,-0.6 2,-0.2 3,-0.3 0.929 110.0 47.1 -60.0 -50.2 -6.8 17.8 59.7 37 61 A N H >< S+ 0 0 11 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.894 112.9 50.3 -60.8 -38.5 -10.0 18.9 58.0 38 62 A N H 3< S+ 0 0 133 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.809 113.8 45.4 -65.2 -29.5 -10.9 15.4 57.1 39 63 A a H 3< S+ 0 0 77 -4,-1.4 2,-0.3 -3,-0.3 -1,-0.2 0.328 108.1 56.5-104.3 4.7 -10.3 14.1 60.7 40 64 A T S << S- 0 0 40 -3,-0.7 0, 0.0 -4,-0.6 0, 0.0 -0.799 70.3-131.8-129.5 170.7 -12.1 16.8 62.7 41 65 A N + 0 0 162 -2,-0.3 2,-0.1 36,-0.0 -4,-0.1 -0.273 47.3 143.8-122.6 47.3 -15.7 18.2 62.9 42 66 A D - 0 0 43 2,-0.2 35,-0.1 -5,-0.2 -2,-0.1 -0.368 54.7-128.9 -72.8 164.1 -15.2 21.9 62.9 43 67 A M S S+ 0 0 104 33,-0.1 34,-2.1 -2,-0.1 2,-0.3 0.686 92.1 52.9 -86.9 -18.5 -17.8 24.0 61.0 44 68 A F E S- B 0 76A 30 32,-0.3 32,-0.3 34,-0.0 2,-0.2 -0.823 87.7-112.4-112.6 154.3 -15.0 25.8 59.2 45 69 A L E - 0 0 21 30,-3.0 28,-2.7 -2,-0.3 30,-0.3 -0.581 28.4-139.9 -77.3 145.4 -12.0 24.6 57.2 46 70 A F E - B 0 72A 2 -13,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.698 14.5-160.3 -99.3 160.9 -8.5 25.2 58.5 47 71 A K E - B 0 71A 33 24,-2.3 24,-2.6 -2,-0.3 2,-0.1 -0.992 30.7 -96.4-141.4 144.8 -5.5 26.2 56.4 48 72 A E E + B 0 70A 37 -2,-0.3 22,-0.3 22,-0.2 3,-0.1 -0.403 40.4 176.8 -59.2 131.6 -1.8 26.0 57.0 49 73 A S E + 0 0 52 20,-3.7 2,-0.3 1,-0.4 21,-0.2 0.689 60.2 4.8-111.2 -27.3 -0.7 29.4 58.3 50 74 A R E - B 0 69A 140 19,-1.5 19,-3.9 -21,-0.1 2,-0.6 -0.954 50.4-151.9-160.4 137.3 3.1 29.0 59.0 51 75 A I E + B 0 68A 21 -2,-0.3 17,-0.2 17,-0.3 3,-0.1 -0.954 20.3 172.5-112.6 111.4 5.7 26.3 58.5 52 76 A T E + 0 0 45 15,-2.0 2,-0.3 -2,-0.6 16,-0.2 0.828 63.9 12.4 -90.8 -34.1 8.4 26.8 61.2 53 77 A R E - B 0 67A 164 14,-1.3 14,-2.6 -33,-0.1 2,-0.3 -0.988 62.2-178.3-146.0 149.6 10.6 23.7 60.6 54 78 A A E + B 0 66A 9 -2,-0.3 -36,-1.7 -36,-0.3 2,-0.3 -0.979 7.7 179.6-153.6 135.7 10.9 21.1 57.9 55 79 A L E -AB 17 65A 69 10,-2.4 10,-3.0 -2,-0.3 2,-0.4 -0.938 12.6-158.3-126.9 153.1 13.0 17.9 57.3 56 80 A V E -AB 16 64A 20 -40,-2.4 -40,-2.6 -2,-0.3 2,-0.4 -0.992 5.2-167.0-132.2 139.9 12.7 15.7 54.2 57 81 A Q E - B 0 63A 38 6,-2.7 6,-3.2 -2,-0.4 2,-0.7 -0.992 22.1-126.3-126.8 137.2 13.8 12.1 54.0 58 82 A I E + B 0 62A 101 -2,-0.4 -45,-1.0 -44,-0.3 2,-0.2 -0.737 43.3 151.2 -79.3 115.4 14.3 9.9 50.9 59 83 A V S S- 0 0 63 2,-2.5 -2,-0.1 -2,-0.7 3,-0.0 -0.716 85.1 -53.8-146.1 90.4 12.2 6.7 51.3 60 84 A K S S+ 0 0 131 -2,-0.2 2,-0.3 1,-0.1 -2,-0.1 0.867 136.0 0.9 41.1 46.5 11.1 5.3 48.0 61 85 A G S S- 0 0 3 46,-0.1 -2,-2.5 2,-0.0 2,-0.5 -0.923 113.9 -50.0 136.4-166.3 9.7 8.9 47.6 62 86 A L E -BC 58 106A 51 44,-2.9 44,-3.1 -2,-0.3 2,-0.6 -0.932 39.9-166.3-115.7 120.2 9.8 11.9 49.8 63 87 A K E -BC 57 105A 48 -6,-3.2 -6,-2.7 -2,-0.5 2,-0.4 -0.923 12.3-157.7-104.1 118.6 8.8 11.9 53.5 64 88 A Y E -BC 56 104A 13 40,-3.5 40,-1.9 -2,-0.6 2,-0.5 -0.781 8.4-162.5 -94.8 134.8 8.3 15.3 55.0 65 89 A M E -BC 55 103A 27 -10,-3.0 -10,-2.4 -2,-0.4 2,-0.4 -0.982 27.2-175.1-113.5 116.3 8.6 15.9 58.7 66 90 A L E -BC 54 102A 1 36,-3.1 36,-2.4 -2,-0.5 2,-0.6 -0.892 36.3-158.7-125.7 141.3 6.9 19.3 59.3 67 91 A E E +BC 53 101A 63 -14,-2.6 -15,-2.0 -2,-0.4 -14,-1.3 -0.976 39.6 167.4-108.6 110.4 6.3 21.7 62.1 68 92 A V E -BC 51 100A 1 32,-1.7 32,-2.6 -2,-0.6 2,-0.4 -0.970 32.1-142.2-134.7 133.5 3.3 23.6 60.7 69 93 A E E -BC 50 99A 40 -19,-3.9 -20,-3.7 -2,-0.4 -19,-1.5 -0.828 20.3-164.2 -92.8 139.2 0.8 26.1 62.2 70 94 A I E -BC 48 98A 3 28,-2.5 28,-2.6 -2,-0.4 2,-0.3 -0.937 3.2-165.7-122.9 149.0 -2.8 25.8 61.1 71 95 A G E -BC 47 97A 2 -24,-2.6 -24,-2.3 -2,-0.3 26,-0.2 -0.974 27.4-102.1-137.0 149.4 -5.6 28.4 61.5 72 96 A R E -B 46 0A 31 24,-2.3 17,-2.5 -2,-0.3 -26,-0.2 -0.477 38.8-157.2 -69.1 132.4 -9.4 28.5 61.1 73 97 A T E -E 88 0B 0 -28,-2.7 15,-0.2 15,-0.3 -1,-0.0 -0.484 28.3-112.2-100.0 177.4 -10.6 30.1 57.9 74 98 A T E S+ 0 0 75 13,-2.1 2,-0.5 -2,-0.2 14,-0.1 0.289 85.3 105.4 -92.2 7.8 -13.9 31.8 57.0 75 99 A b E S- 0 0 17 -30,-0.3 -30,-3.0 12,-0.3 -2,-0.2 -0.814 70.9-128.0 -94.2 125.9 -14.8 29.0 54.6 76 100 A K E > -B 44 0A 87 -2,-0.5 3,-0.6 -32,-0.3 5,-0.4 -0.378 22.4-115.2 -70.6 143.9 -17.4 26.5 55.7 77 101 A K T 3 S+ 0 0 39 -34,-2.1 -1,-0.1 1,-0.2 -32,-0.0 -0.338 94.9 30.1 -68.0 157.9 -16.7 22.8 55.6 78 102 A N T 3 S+ 0 0 144 1,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.739 89.4 100.0 62.5 27.2 -18.7 20.5 53.2 79 103 A Q S < S- 0 0 114 -3,-0.6 -1,-0.1 2,-0.1 -2,-0.1 0.219 96.2-111.5-121.8 11.6 -19.3 23.3 50.6 80 104 A H + 0 0 189 1,-0.2 2,-0.3 -4,-0.0 -3,-0.1 0.852 58.7 166.5 61.6 42.1 -16.6 22.1 48.2 81 105 A L - 0 0 75 -5,-0.4 2,-0.4 1,-0.0 -1,-0.2 -0.699 34.5-127.8 -93.8 138.5 -14.4 25.2 48.8 82 106 A R > - 0 0 139 -2,-0.3 3,-1.4 1,-0.1 4,-0.1 -0.708 8.8-141.5 -88.4 129.5 -10.8 25.4 47.7 83 107 A L G > S+ 0 0 11 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.767 95.7 69.0 -62.1 -32.2 -8.3 26.4 50.4 84 108 A D G 3 S+ 0 0 90 1,-0.3 -1,-0.3 3,-0.0 -37,-0.0 0.790 105.8 43.7 -54.8 -29.3 -6.1 28.5 48.1 85 109 A D G < S+ 0 0 114 -3,-1.4 2,-0.4 2,-0.1 -1,-0.3 0.325 93.9 100.3-101.3 7.3 -9.1 31.0 48.1 86 110 A b < - 0 0 2 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.0 -0.796 55.4-158.3 -95.7 132.9 -9.9 30.8 51.8 87 111 A D - 0 0 122 -2,-0.4 -13,-2.1 1,-0.1 -12,-0.3 -0.718 28.6 -94.1-103.0 159.1 -8.7 33.6 54.1 88 112 A F B -E 73 0B 79 -2,-0.3 -15,-0.3 -15,-0.2 7,-0.1 -0.358 49.0 -84.7 -75.0 152.0 -8.3 33.3 57.9 89 113 A Q - 0 0 14 -17,-2.5 -1,-0.1 5,-0.2 -17,-0.1 -0.246 34.3-174.1 -52.4 134.3 -10.9 34.3 60.5 90 114 A T + 0 0 118 -3,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.826 60.3 94.6 -94.3 -51.2 -11.0 38.0 61.4 91 115 A N S >> S- 0 0 88 1,-0.2 3,-1.5 3,-0.1 4,-1.3 -0.208 72.6-144.1 -41.4 115.7 -13.6 37.6 64.2 92 116 A H T 34 S+ 0 0 159 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.817 98.7 57.3 -61.9 -32.1 -11.6 37.2 67.4 93 117 A T T 34 S+ 0 0 115 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.637 113.4 40.6 -72.5 -13.7 -14.2 34.8 68.9 94 118 A L T <4 S+ 0 0 55 -3,-1.5 2,-0.3 -22,-0.0 -2,-0.2 0.534 86.4 112.1-111.3 -11.9 -13.6 32.5 65.8 95 119 A K < + 0 0 110 -4,-1.3 2,-0.3 -5,-0.1 -22,-0.1 -0.487 40.4 165.7 -61.1 122.3 -9.8 32.9 65.5 96 120 A Q - 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