==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEINASE INHIBITOR (CYSTEINE) 24-AUG-95 1CYV . COMPND 2 MOLECULE: CYSTATIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.TATE,N.U.TATE,T.USHIODA,T.SAMEJIMA,M.KAINOSHO . 98 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 55.1 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 . 27 27.6 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 1.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 2.0 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 . 10 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 0 0 0 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 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A M 0 0 225 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.3 -9.6 8.6 -19.5 2 2 A I + 0 0 66 93,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.436 360.0 158.1-147.0 69.0 -8.0 8.0 -16.1 3 3 A P - 0 0 39 0, 0.0 2,-1.3 0, 0.0 93,-0.2 0.057 62.1 -76.2 -77.5-169.2 -10.1 9.4 -13.3 4 4 A G S S- 0 0 0 1,-0.1 52,-0.1 37,-0.1 92,-0.1 -0.363 79.7 -80.9 -90.2 58.8 -10.1 8.4 -9.7 5 5 A G - 0 0 10 -2,-1.3 40,-0.2 39,-0.1 -1,-0.1 0.949 68.6-164.8 45.0 57.5 -12.1 5.2 -10.3 6 6 A L + 0 0 63 1,-0.1 2,-1.8 38,-0.1 4,-0.1 0.235 62.9 40.8 -55.9-165.4 -15.3 7.1 -10.3 7 7 A S S S+ 0 0 91 1,-0.1 2,-1.2 2,-0.1 -1,-0.1 -0.365 124.4 36.2 61.3 -88.6 -18.6 5.2 -10.0 8 8 A E S S+ 0 0 124 -2,-1.8 37,-1.2 37,-0.0 2,-0.3 -0.700 101.1 91.6 -96.1 89.2 -17.3 2.8 -7.3 9 9 A A E -A 44 0A 33 -2,-1.2 35,-0.2 35,-0.3 -2,-0.1 -0.940 53.8-145.3-172.3 149.6 -15.0 4.9 -5.2 10 10 A K E -A 43 0A 128 33,-1.1 33,-1.3 -2,-0.3 2,-0.8 -0.842 35.8 -94.0-122.2 161.2 -15.0 7.1 -2.1 11 11 A P E S-A 42 0A 98 0, 0.0 31,-0.3 0, 0.0 30,-0.1 -0.625 87.6 -45.0 -76.9 107.7 -13.1 10.3 -1.1 12 12 A A S S- 0 0 14 29,-0.8 30,-0.1 -2,-0.8 45,-0.0 0.840 73.8-139.8 32.7 100.2 -9.9 9.2 0.8 13 13 A T > - 0 0 14 -3,-0.3 4,-2.0 1,-0.1 27,-0.3 -0.278 23.6-106.8 -77.0 172.8 -11.1 6.6 3.3 14 14 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.526 124.7 42.2 -76.0 -5.0 -9.8 6.4 6.9 15 15 A E T >> S+ 0 0 120 2,-0.1 4,-1.2 3,-0.1 3,-0.6 0.806 114.2 44.9-103.6 -59.4 -8.0 3.3 5.6 16 16 A I H >> S+ 0 0 5 1,-0.3 4,-1.1 2,-0.2 3,-1.0 0.933 112.1 53.9 -53.8 -47.5 -6.7 4.5 2.2 17 17 A Q H 3X S+ 0 0 67 -4,-2.0 4,-1.1 1,-0.3 3,-0.4 0.860 99.2 63.6 -59.6 -29.7 -5.6 7.8 3.7 18 18 A E H X> S+ 0 0 98 -3,-0.6 3,-0.6 1,-0.3 4,-0.5 0.901 96.6 57.4 -61.9 -34.3 -3.6 5.7 6.2 19 19 A I H XX>S+ 0 0 38 -4,-1.2 4,-1.3 -3,-1.0 5,-0.9 0.884 102.8 54.3 -61.7 -34.4 -1.6 4.4 3.3 20 20 A V H 3<5S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.4 8,-0.2 0.767 110.7 45.3 -71.3 -22.8 -0.8 8.1 2.6 21 21 A D H <<5S+ 0 0 76 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.402 118.5 44.4 -99.7 3.1 0.5 8.4 6.2 22 22 A K H <<5S+ 0 0 122 -3,-0.8 -2,-0.2 -4,-0.5 -3,-0.2 0.761 130.5 12.6-108.2 -73.4 2.5 5.1 6.0 23 23 A V T <5S+ 0 0 109 -4,-1.3 -3,-0.2 1,-0.2 4,-0.1 0.558 136.4 47.5 -83.2 -5.8 4.4 4.9 2.7 24 24 A K >< + 0 0 18 -5,-0.9 4,-1.0 -6,-0.2 -1,-0.2 -0.297 62.0 140.7-129.9 52.1 3.7 8.6 2.0 25 25 A P T 4 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.416 85.3 36.0 -74.6 4.8 4.6 10.2 5.3 26 26 A Q T >> S+ 0 0 135 -6,-0.1 3,-1.8 2,-0.1 4,-0.9 0.645 114.1 51.4-120.8 -47.4 6.1 13.0 3.3 27 27 A L T 34 S+ 0 0 20 1,-0.3 4,-0.3 2,-0.2 12,-0.2 0.676 109.5 58.1 -64.5 -12.9 3.8 13.2 0.4 28 28 A E T 3< S+ 0 0 24 -4,-1.0 -1,-0.3 -8,-0.2 -2,-0.1 0.559 122.5 19.6 -94.0 -10.2 1.1 13.4 3.1 29 29 A E T <4 S+ 0 0 123 -3,-1.8 -2,-0.2 -5,-0.1 -1,-0.1 0.119 108.9 80.6-144.3 20.5 2.5 16.5 4.8 30 30 A K S < S+ 0 0 76 -4,-0.9 -3,-0.2 1,-0.1 -2,-0.1 0.898 88.6 48.5 -92.9 -65.7 4.6 18.0 2.1 31 31 A T S S- 0 0 4 -4,-0.3 30,-0.1 -5,-0.2 3,-0.1 0.846 83.0-173.5 -44.4 -29.8 2.2 19.8 -0.1 32 32 A N + 0 0 123 1,-0.1 -1,-0.2 -5,-0.1 28,-0.1 0.849 16.0 180.0 35.4 42.0 1.1 21.1 3.3 33 33 A E - 0 0 43 1,-0.1 2,-0.2 4,-0.1 4,-0.1 -0.229 40.1-115.5 -67.3 161.8 -1.8 22.8 1.3 34 34 A T S S+ 0 0 110 -3,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.087 94.7 56.4 -90.5 38.8 -4.4 24.8 3.2 35 35 A Y S S- 0 0 137 -2,-0.2 2,-0.4 0, 0.0 3,-0.1 -0.559 105.7 -74.7-140.5-152.6 -7.2 22.4 2.3 36 36 A G S S+ 0 0 41 -2,-0.2 24,-0.1 1,-0.1 -2,-0.1 -0.550 90.0 104.3-115.5 67.0 -7.9 18.7 2.7 37 37 A K + 0 0 47 -2,-0.4 23,-0.5 -4,-0.1 2,-0.4 -0.091 47.9 100.4-133.4 31.7 -5.6 17.2 0.1 38 38 A L E S+ B 0 59A 29 21,-0.2 2,-0.3 -3,-0.1 21,-0.2 -0.545 83.1 29.3-115.0 60.9 -2.9 15.9 2.5 39 39 A E E S- B 0 58A 49 19,-0.7 19,-1.3 -2,-0.4 21,-0.1 -0.916 109.5 -18.4 179.1-151.2 -3.9 12.2 2.6 40 40 A A E - B 0 57A 0 -2,-0.3 17,-0.2 -27,-0.3 -23,-0.1 -0.391 45.2-153.5 -74.9 158.6 -5.6 9.6 0.3 41 41 A V E - 0 0 13 15,-1.5 -29,-0.8 1,-0.4 2,-0.3 0.781 60.2 -58.7-100.3 -38.6 -7.6 10.9 -2.6 42 42 A Q E -AB 11 56A 7 14,-1.7 14,-1.1 -31,-0.3 -1,-0.4 -0.917 39.3-130.1 168.8 166.6 -10.0 8.0 -3.0 43 43 A Y E -AB 10 55A 45 -33,-1.3 -33,-1.1 -2,-0.3 2,-0.3 -0.935 14.7-160.0-144.0 118.2 -10.1 4.3 -3.6 44 44 A K E -AB 9 54A 30 10,-2.0 10,-2.3 -2,-0.4 2,-0.5 -0.677 12.3-145.8 -94.7 151.7 -12.3 2.6 -6.2 45 45 A T E + B 0 53A 61 -37,-1.2 2,-0.3 -2,-0.3 8,-0.2 -0.960 28.4 152.0-123.5 129.9 -13.2 -1.1 -5.9 46 46 A Q E - B 0 52A 97 6,-1.9 6,-1.5 -2,-0.5 5,-0.1 -0.979 36.2-124.9-152.7 136.3 -13.7 -3.5 -8.8 47 47 A V + 0 0 114 -2,-0.3 5,-0.2 4,-0.3 -1,-0.1 0.301 35.4 155.1 -63.3-158.5 -13.1 -7.3 -9.0 48 48 A V S S- 0 0 79 3,-0.1 -1,-0.1 25,-0.1 22,-0.0 -0.161 83.3 -44.7 164.9 -50.8 -10.9 -8.9 -11.7 49 49 A A S S+ 0 0 35 22,-0.1 24,-2.0 26,-0.0 26,-0.1 0.180 141.7 14.0 159.5 47.5 -9.8 -12.2 -10.2 50 50 A G S S- 0 0 17 22,-0.2 22,-0.1 24,-0.1 -3,-0.1 -0.000 126.2 -73.9 155.3 -27.5 -8.8 -11.4 -6.6 51 51 A T - 0 0 48 19,-0.1 20,-1.4 -5,-0.1 -4,-0.3 0.644 46.8-134.6 109.0 93.8 -10.4 -7.9 -6.3 52 52 A N E -BC 46 70A 13 -6,-1.5 -6,-1.9 18,-0.2 2,-0.4 -0.364 19.5-161.4 -70.6 153.7 -8.7 -5.0 -8.1 53 53 A Y E -B 45 0A 56 16,-1.3 2,-0.8 -8,-0.2 16,-0.4 -0.989 12.2-156.6-140.6 131.0 -8.3 -1.7 -6.1 54 54 A Y E -B 44 0A 67 -10,-2.3 -10,-2.0 -2,-0.4 2,-1.3 -0.799 14.2-178.2-107.0 92.6 -7.7 1.8 -7.4 55 55 A I E -BD 43 67A 6 12,-1.0 12,-1.1 -2,-0.8 2,-0.8 -0.640 1.6-175.7 -94.6 88.2 -6.0 3.8 -4.6 56 56 A K E -B 42 0A 1 -2,-1.3 -14,-1.7 -14,-1.1 -15,-1.5 -0.675 18.1-151.2 -79.2 110.2 -5.5 7.3 -6.1 57 57 A V E -B 40 0A 0 -2,-0.8 8,-1.7 -17,-0.2 2,-0.4 -0.630 3.4-134.0 -89.1 147.1 -3.7 9.1 -3.3 58 58 A R E +BE 39 64A 52 -19,-1.3 -19,-0.7 -2,-0.3 6,-0.2 -0.768 25.5 172.6 -96.0 140.6 -4.0 12.8 -2.7 59 59 A A E > -BE 38 63A 0 4,-1.1 4,-0.6 1,-0.6 3,-0.2 0.057 62.4 -72.6-133.3 26.4 -1.0 15.0 -2.1 60 60 A G T 4 - 0 0 0 -23,-0.5 -1,-0.6 2,-0.2 -22,-0.1 -0.551 65.8 -61.8 111.0 179.7 -2.5 18.5 -2.2 61 61 A D T 4 S+ 0 0 103 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.608 139.3 32.1 -79.8 -7.9 -3.9 20.6 -5.1 62 62 A N T 4 S+ 0 0 61 -3,-0.2 28,-0.5 1,-0.1 2,-0.2 0.719 117.9 51.3-114.9 -39.3 -0.4 20.6 -6.6 63 63 A K E < +E 59 0A 42 -4,-0.6 -4,-1.1 26,-0.2 2,-0.3 -0.649 63.8 170.1 -98.1 157.4 1.1 17.2 -5.6 64 64 A Y E -E 58 0A 35 -2,-0.2 28,-0.7 -6,-0.2 27,-0.4 -0.921 12.4-167.0-166.0 137.7 -0.7 13.9 -6.1 65 65 A L - 0 0 0 -8,-1.7 2,-0.3 -2,-0.3 22,-0.2 -0.612 7.8-158.9-119.9-177.3 0.1 10.2 -5.9 66 66 A H E + F 0 86A 9 20,-1.0 20,-1.5 -10,-0.3 2,-0.3 -0.992 11.5 171.6-163.0 154.1 -1.6 7.0 -7.1 67 67 A L E -DF 55 85A 12 -12,-1.1 -12,-1.0 -2,-0.3 2,-0.4 -0.986 21.3-148.3-157.4 164.3 -1.8 3.3 -6.5 68 68 A K E - F 0 84A 19 16,-0.9 16,-1.2 -2,-0.3 2,-0.4 -0.863 17.3-158.5-139.0 99.2 -3.7 0.2 -7.5 69 69 A V E + 0 0 42 -2,-0.4 -16,-1.3 -16,-0.4 2,-0.4 -0.646 16.3 179.4 -82.2 134.4 -4.0 -2.3 -4.7 70 70 A F E -CF 52 81A 18 11,-1.9 11,-2.0 -2,-0.4 2,-1.7 -0.940 28.4-154.5-139.7 122.0 -4.8 -5.8 -6.2 71 71 A K - 0 0 137 -20,-1.4 9,-0.2 -2,-0.4 -19,-0.1 -0.474 31.2-150.6 -89.6 68.0 -5.2 -9.1 -4.3 72 72 A S + 0 0 18 -2,-1.7 -22,-0.2 9,-0.1 6,-0.2 -0.047 43.0 136.8 -40.2 131.9 -4.2 -11.2 -7.3 73 73 A L + 0 0 87 -24,-2.0 2,-1.5 4,-0.2 -1,-0.1 -0.099 14.1 166.7-179.2 60.5 -6.0 -14.6 -7.1 74 74 A P S S- 0 0 72 0, 0.0 2,-1.0 0, 0.0 -24,-0.1 -0.267 78.4 -74.0 -81.0 49.6 -7.4 -15.5 -10.6 75 75 A G S S+ 0 0 75 -2,-1.5 -25,-0.0 -26,-0.1 -26,-0.0 -0.203 136.8 70.5 88.2 -48.4 -8.0 -19.1 -9.6 76 76 A Q S S- 0 0 149 -2,-1.0 -1,-0.1 2,-0.1 -3,-0.0 0.727 95.9-141.1 -74.6 -17.9 -4.3 -20.0 -9.7 77 77 A N + 0 0 104 1,-0.2 2,-0.3 2,-0.0 -4,-0.2 0.927 29.5 174.9 56.7 93.2 -3.8 -17.9 -6.5 78 78 A E - 0 0 128 1,-0.6 -1,-0.2 -6,-0.2 -6,-0.1 -0.649 47.7 -87.7-132.0 79.0 -0.5 -16.1 -7.1 79 79 A D - 0 0 135 -2,-0.3 -1,-0.6 -8,-0.1 -2,-0.0 0.050 64.9 -72.7 45.7-166.7 0.2 -13.7 -4.2 80 80 A L - 0 0 79 -9,-0.2 2,-0.3 -3,-0.1 -9,-0.2 0.073 45.6-152.4-100.3-147.1 -1.2 -10.2 -4.8 81 81 A V E -F 70 0A 60 -11,-2.0 -11,-1.9 -13,-0.0 -9,-0.1 -0.936 13.7-148.5 179.2 160.6 -0.2 -7.4 -7.1 82 82 A L E + 0 0 61 -2,-0.3 -13,-0.1 -13,-0.2 -14,-0.1 -0.482 13.7 175.0-146.9 73.9 -0.2 -3.6 -7.5 83 83 A T E S+ 0 0 99 -16,-0.1 2,-0.3 -2,-0.1 -14,-0.1 0.663 74.5 66.9 -55.1 -8.9 -0.5 -2.4 -11.0 84 84 A G E +F 68 0A 10 -16,-1.2 -16,-0.9 -31,-0.1 -17,-0.2 -0.865 55.1 127.9-115.7 151.9 -0.7 1.0 -9.4 85 85 A Y E +F 67 0A 170 -2,-0.3 2,-0.3 -18,-0.3 -18,-0.3 -0.511 18.3 151.0 165.7 121.9 1.9 2.9 -7.4 86 86 A Q E -F 66 0A 76 -20,-1.5 -20,-1.0 -2,-0.2 -29,-0.1 -0.990 31.1-134.8-162.7 154.8 3.3 6.5 -7.7 87 87 A V - 0 0 60 -2,-0.3 5,-0.2 -22,-0.2 -21,-0.1 0.206 33.9-111.1 -90.0-144.9 4.8 9.4 -5.7 88 88 A D + 0 0 4 -23,-0.1 -1,-0.2 3,-0.1 -25,-0.1 -0.299 59.3 122.3-130.2-144.3 3.8 13.0 -6.1 89 89 A K S S- 0 0 104 1,-0.1 -26,-0.2 -30,-0.1 -1,-0.1 0.951 105.5 -61.5 81.9 55.5 5.2 16.3 -7.4 90 90 A N S S+ 0 0 112 -28,-0.5 -1,-0.1 1,-0.1 -27,-0.1 0.837 118.4 107.8 39.9 37.6 2.6 17.2 -10.0 91 91 A K S S+ 0 0 124 -27,-0.4 -1,-0.1 -4,-0.1 -2,-0.1 0.815 79.1 32.4-105.5 -61.2 3.6 13.9 -11.7 92 92 A D S S+ 0 0 24 -28,-0.7 -27,-0.1 -5,-0.2 -2,-0.1 0.426 91.9 135.2 -76.9 6.9 0.7 11.5 -11.2 93 93 A D + 0 0 76 -29,-0.2 2,-0.2 -31,-0.1 -29,-0.1 -0.171 23.9 152.5 -52.9 149.1 -1.6 14.6 -11.3 94 94 A E - 0 0 80 -90,-0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.807 48.7 -93.7-179.1 135.4 -4.7 14.0 -13.5 95 95 A L - 0 0 144 -2,-0.2 2,-0.3 1,-0.1 -93,-0.1 -0.004 44.6-144.3 -48.3 163.9 -8.2 15.3 -13.6 96 96 A T - 0 0 60 -93,-0.2 -1,-0.1 1,-0.1 -94,-0.0 -0.891 17.5-144.7-132.1 164.2 -10.8 13.1 -11.7 97 97 A G 0 0 47 -2,-0.3 -1,-0.1 0, 0.0 -90,-0.0 0.760 360.0 360.0 -99.4 -30.6 -14.4 12.1 -12.2 98 98 A F 0 0 198 -88,-0.1 -2,-0.0 -92,-0.0 -93,-0.0 0.513 360.0 360.0-135.3 360.0 -15.5 12.1 -8.6