==== 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 1CYU . 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) . 6470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 56.1 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 . 26 26.5 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 . 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 . 13 13.3 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 . 8 8.2 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 . 3 0 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 0 236 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-153.6 -11.9 -6.4 -20.9 2 2 A I + 0 0 116 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.419 360.0 168.5-137.0 62.6 -9.5 -4.5 -18.6 3 3 A P - 0 0 93 0, 0.0 2,-1.5 0, 0.0 93,-0.1 -0.615 29.0-145.6 -77.9 125.0 -11.0 -4.8 -15.1 4 4 A G S S- 0 0 7 -2,-0.4 94,-0.1 1,-0.2 52,-0.1 -0.579 71.2 -60.0 -91.0 77.2 -8.6 -3.7 -12.4 5 5 A G S S+ 0 0 7 -2,-1.5 -1,-0.2 92,-0.1 38,-0.1 0.962 92.7 163.5 48.4 55.3 -9.8 -6.1 -9.6 6 6 A L + 0 0 52 91,-0.1 2,-0.9 38,-0.1 4,-0.1 -0.020 48.2 26.8 -87.4-160.8 -13.2 -4.5 -9.8 7 7 A S S S+ 0 0 115 1,-0.2 2,-1.9 37,-0.1 -1,-0.0 -0.147 126.5 43.5 45.4 -89.9 -16.4 -6.1 -8.4 8 8 A E S S+ 0 0 116 -2,-0.9 37,-1.5 37,-0.1 2,-0.3 -0.513 106.5 71.7 -83.1 78.6 -14.6 -8.1 -5.7 9 9 A A E -A 44 0A 24 -2,-1.9 35,-0.3 35,-0.3 46,-0.0 -0.895 62.8-138.6 179.4 149.7 -12.2 -5.5 -4.5 10 10 A K E -A 43 0A 126 33,-1.2 33,-1.3 -2,-0.3 2,-0.8 -0.782 35.7 -92.2-118.6 165.1 -12.1 -2.2 -2.5 11 11 A P E S-A 42 0A 105 0, 0.0 31,-0.3 0, 0.0 30,-0.1 -0.652 86.5 -48.6 -78.7 107.1 -10.2 1.1 -2.9 12 12 A A S S- 0 0 13 29,-0.9 30,-0.1 -2,-0.8 45,-0.0 0.818 72.0-143.5 29.5 101.1 -6.9 0.8 -0.9 13 13 A T > - 0 0 23 -3,-0.2 4,-2.0 1,-0.1 27,-0.3 -0.330 25.4-106.2 -81.0 172.8 -7.9 -0.5 2.5 14 14 A P T 4 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.568 124.3 45.5 -74.0 -7.2 -6.3 0.6 5.7 15 15 A E T >> S+ 0 0 113 2,-0.1 4,-1.3 3,-0.1 3,-0.5 0.858 113.7 41.5 -97.9 -63.6 -4.7 -2.8 5.6 16 16 A I H >> S+ 0 0 5 1,-0.3 4,-1.3 2,-0.2 3,-0.9 0.928 115.1 53.4 -53.2 -45.4 -3.5 -3.2 1.9 17 17 A Q H 3X S+ 0 0 47 -4,-2.0 4,-0.5 1,-0.3 -1,-0.3 0.873 100.8 61.2 -61.1 -31.3 -2.3 0.4 2.0 18 18 A E H X> S+ 0 0 109 -3,-0.5 3,-1.0 -5,-0.3 4,-1.0 0.861 98.4 57.3 -64.0 -29.8 -0.3 -0.5 5.1 19 19 A I H XX>S+ 0 0 42 -4,-1.3 4,-1.3 -3,-0.9 5,-1.0 0.894 97.7 60.3 -66.6 -35.7 1.5 -3.0 2.9 20 20 A V H 3<5S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.3 8,-0.2 0.694 108.3 45.9 -65.3 -13.8 2.5 -0.1 0.7 21 21 A D H <<5S+ 0 0 76 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.626 114.9 46.6-101.6 -17.3 4.2 1.3 3.8 22 22 A K H <<5S+ 0 0 140 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.1 0.931 131.6 12.4 -88.3 -71.5 5.9 -2.0 4.8 23 23 A V T <5S+ 0 0 113 -4,-1.3 -3,-0.2 1,-0.2 4,-0.1 0.566 137.6 47.2 -83.3 -5.8 7.5 -3.5 1.6 24 24 A K >< + 0 0 17 -5,-1.0 4,-1.1 -6,-0.2 -1,-0.2 -0.297 62.8 143.1-129.3 51.3 6.9 -0.1 -0.2 25 25 A P T 4 S+ 0 0 60 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.394 84.6 34.6 -72.7 6.9 8.2 2.4 2.4 26 26 A Q T >> S+ 0 0 135 -6,-0.2 3,-1.7 2,-0.1 4,-0.5 0.618 112.2 54.7-124.2 -48.6 9.6 4.4 -0.5 27 27 A L T 34 S+ 0 0 18 1,-0.3 4,-0.4 2,-0.2 12,-0.1 0.685 108.6 56.6 -60.8 -14.3 7.0 3.8 -3.2 28 28 A E T 3< S+ 0 0 33 -4,-1.1 -1,-0.3 -8,-0.2 -2,-0.1 0.644 121.5 22.6 -93.3 -16.4 4.5 5.1 -0.6 29 29 A E T <4 S+ 0 0 133 -3,-1.7 -2,-0.2 -5,-0.1 -1,-0.1 0.016 111.3 75.1-137.1 27.2 6.2 8.5 0.1 30 30 A K S < S+ 0 0 101 -4,-0.5 -3,-0.2 -3,-0.0 -2,-0.1 0.817 85.6 55.0-104.0 -60.1 8.1 8.8 -3.2 31 31 A T S S- 0 0 1 -4,-0.4 30,-0.1 -5,-0.2 3,-0.1 0.851 82.0-170.8 -44.5 -29.9 5.5 9.8 -5.7 32 32 A N + 0 0 128 1,-0.1 -1,-0.2 -5,-0.1 -3,-0.1 0.872 17.1 176.0 38.3 43.7 4.9 12.5 -3.1 33 33 A E - 0 0 49 1,-0.1 4,-0.1 26,-0.1 -1,-0.1 -0.335 41.8-120.3 -74.3 161.0 1.8 13.4 -5.2 34 34 A T S S+ 0 0 116 -3,-0.1 2,-0.2 2,-0.1 -1,-0.1 -0.087 91.9 56.8 -93.1 38.5 -0.6 16.1 -3.9 35 35 A Y S S- 0 0 135 -2,-0.1 2,-0.5 0, 0.0 3,-0.1 -0.580 104.7 -75.4-140.4-154.4 -3.5 13.6 -3.8 36 36 A G S S+ 0 0 43 -2,-0.2 24,-0.1 1,-0.1 -2,-0.1 -0.595 90.0 103.0-114.5 70.4 -4.4 10.3 -2.2 37 37 A K + 0 0 53 -2,-0.5 23,-0.6 -4,-0.1 2,-0.4 -0.077 45.9 102.9-137.9 31.7 -2.3 7.9 -4.3 38 38 A L E S+ B 0 59A 37 21,-0.2 2,-0.3 -3,-0.1 21,-0.2 -0.511 82.5 28.0-112.5 58.9 0.5 7.3 -1.9 39 39 A E E S- B 0 58A 53 19,-0.7 19,-1.4 -2,-0.4 21,-0.2 -0.916 108.3 -15.4 179.8-151.9 -0.6 3.9 -0.6 40 40 A A E - B 0 57A 0 -2,-0.3 17,-0.3 -27,-0.3 -23,-0.1 -0.368 43.5-155.8 -72.3 156.8 -2.5 0.8 -1.8 41 41 A V E - 0 0 17 15,-1.7 -29,-0.9 1,-0.4 2,-0.3 0.756 62.1 -56.0-101.1 -35.9 -4.7 1.1 -4.8 42 42 A Q E -AB 11 56A 13 14,-1.7 14,-1.1 -31,-0.3 -1,-0.4 -0.913 41.2-131.1 168.8 166.5 -7.1 -1.7 -4.0 43 43 A Y E -AB 10 55A 49 -33,-1.3 -33,-1.2 -2,-0.3 12,-0.2 -0.928 16.3-163.6-144.5 117.5 -7.3 -5.4 -3.3 44 44 A K E -AB 9 54A 38 10,-2.1 10,-2.2 -2,-0.4 2,-0.4 -0.597 12.1-142.3 -96.1 161.8 -9.6 -7.9 -4.9 45 45 A T E + B 0 53A 59 -37,-1.5 2,-0.3 8,-0.2 8,-0.2 -0.960 26.5 157.1-127.0 144.4 -10.4 -11.3 -3.6 46 46 A Q E - B 0 52A 90 6,-2.0 6,-1.6 -2,-0.4 5,-0.1 -0.842 32.6-128.9-164.9 123.2 -10.9 -14.6 -5.4 47 47 A V + 0 0 115 4,-0.3 5,-0.2 -2,-0.3 -1,-0.0 0.362 34.5 155.4 -55.9-159.1 -10.5 -18.2 -4.1 48 48 A V S S- 0 0 82 3,-0.1 -1,-0.1 25,-0.1 24,-0.0 -0.143 82.5 -48.0 164.1 -49.2 -8.4 -20.8 -6.1 49 49 A A S S+ 0 0 41 22,-0.1 24,-2.0 26,-0.0 26,-0.1 0.237 141.4 18.0 153.7 48.8 -7.4 -23.4 -3.5 50 50 A G S S- 0 0 15 22,-0.2 21,-0.1 24,-0.1 22,-0.1 -0.004 125.1 -78.2 156.5 -27.6 -6.0 -21.3 -0.6 51 51 A T - 0 0 51 19,-0.1 20,-1.5 -5,-0.1 -4,-0.3 0.688 44.6-135.4 105.7 93.9 -7.6 -17.9 -1.5 52 52 A N E -BC 46 70A 10 -6,-1.6 -6,-2.0 -5,-0.2 2,-0.4 -0.375 20.1-163.7 -71.9 154.5 -6.1 -15.8 -4.2 53 53 A Y E -B 45 0A 56 16,-1.3 2,-0.6 -8,-0.2 -8,-0.2 -0.999 12.9-155.8-141.1 138.9 -5.6 -12.0 -3.6 54 54 A Y E -B 44 0A 94 -10,-2.2 -10,-2.1 -2,-0.4 2,-1.2 -0.828 11.9-175.9-116.5 94.7 -4.9 -9.2 -6.1 55 55 A I E -BD 43 67A 5 12,-1.1 12,-1.2 -2,-0.6 2,-0.9 -0.655 2.4-172.6 -93.6 90.6 -3.3 -6.2 -4.3 56 56 A K E -B 42 0A 4 -2,-1.2 -15,-1.7 -14,-1.1 -14,-1.7 -0.665 18.4-151.6 -78.4 108.9 -3.0 -3.5 -6.9 57 57 A V E -B 40 0A 0 -2,-0.9 8,-1.8 -17,-0.3 2,-0.4 -0.651 2.9-135.2 -90.1 144.7 -0.9 -0.9 -5.0 58 58 A R E +BE 39 64A 48 -19,-1.4 -19,-0.7 -2,-0.3 6,-0.2 -0.751 23.0 175.3 -93.6 138.9 -1.1 2.8 -5.8 59 59 A A E -B 38 0A 0 4,-1.0 4,-0.5 1,-0.5 2,-0.3 0.064 58.8 -83.1-129.9 26.6 2.0 4.9 -6.1 60 60 A G - 0 0 0 -23,-0.6 -1,-0.5 1,-0.2 -22,-0.1 -0.828 68.1 -52.9 110.9-151.3 0.5 8.3 -7.1 61 61 A D S S+ 0 0 86 -2,-0.3 -1,-0.2 -30,-0.1 3,-0.0 0.746 137.9 29.0-100.0 -29.6 -0.4 9.4 -10.6 62 62 A N S S+ 0 0 68 -3,-0.2 2,-0.3 -31,-0.1 -2,-0.1 0.691 118.4 58.8-102.5 -23.6 2.9 8.6 -12.4 63 63 A K + 0 0 24 -4,-0.5 -4,-1.0 27,-0.1 2,-0.3 -0.773 61.6 167.0-106.1 151.7 4.0 5.7 -10.2 64 64 A Y B -E 58 0A 31 -2,-0.3 28,-1.6 -6,-0.2 27,-0.6 -0.942 11.4-169.9-162.7 138.3 2.1 2.5 -9.6 65 65 A L - 0 0 0 -8,-1.8 2,-0.3 -2,-0.3 -8,-0.2 -0.631 5.4-161.9-122.3-176.8 2.8 -0.9 -8.1 66 66 A H E + F 0 86A 18 20,-1.0 20,-1.5 -10,-0.3 2,-0.3 -0.986 9.0 174.8-165.2 153.6 1.0 -4.2 -8.0 67 67 A L E -DF 55 85A 14 -12,-1.2 -12,-1.1 -2,-0.3 2,-0.4 -0.989 21.3-146.6-156.6 162.6 0.9 -7.5 -6.1 68 68 A K E - F 0 84A 25 16,-0.8 16,-1.2 -2,-0.3 2,-0.4 -0.882 17.6-159.7-134.6 99.6 -1.0 -10.7 -5.9 69 69 A V E + 0 0 35 -2,-0.4 -16,-1.3 -16,-0.2 2,-0.4 -0.678 15.7 178.3 -83.7 132.0 -1.2 -12.1 -2.4 70 70 A F E -CF 52 81A 20 11,-1.7 11,-1.9 -2,-0.4 2,-1.8 -0.946 28.0-154.0-137.8 121.4 -2.0 -15.8 -2.5 71 71 A K - 0 0 115 -20,-1.5 9,-0.2 -2,-0.4 8,-0.1 -0.483 29.0-150.1 -88.6 68.9 -2.3 -18.2 0.5 72 72 A S + 0 0 18 -2,-1.8 -22,-0.2 9,-0.1 6,-0.1 -0.110 41.9 141.1 -42.2 122.7 -1.5 -21.3 -1.5 73 73 A L + 0 0 84 -24,-2.0 2,-1.4 4,-0.2 -1,-0.1 -0.226 9.7 161.8-165.5 59.1 -3.3 -24.2 0.2 74 74 A P S S- 0 0 81 0, 0.0 -24,-0.1 0, 0.0 -2,-0.1 -0.240 83.0 -69.7 -80.7 47.6 -4.7 -26.5 -2.5 75 75 A G S S+ 0 0 79 -2,-1.4 -25,-0.0 -26,-0.1 -26,-0.0 -0.006 138.6 68.0 90.4 -33.7 -5.1 -29.4 -0.1 76 76 A Q S S- 0 0 139 2,-0.0 -1,-0.1 0, 0.0 -3,-0.0 0.747 85.9-151.7 -90.2 -23.9 -1.3 -29.9 0.2 77 77 A N + 0 0 103 1,-0.2 2,-0.4 -6,-0.1 -4,-0.2 0.975 26.4 168.5 51.3 76.1 -0.8 -26.6 2.1 78 78 A E - 0 0 131 1,-0.5 -1,-0.2 -6,-0.1 -6,-0.1 -0.559 56.7 -68.4-119.1 69.0 2.8 -25.9 0.9 79 79 A D - 0 0 125 -2,-0.4 -1,-0.5 -8,-0.1 -2,-0.0 0.071 67.1 -79.5 69.8 169.1 3.5 -22.3 2.0 80 80 A L - 0 0 73 -9,-0.2 2,-0.3 -3,-0.1 -9,-0.2 0.265 43.2-146.5 -84.3-146.5 1.7 -19.3 0.3 81 81 A V E -F 70 0A 57 -11,-1.9 -11,-1.7 -13,-0.0 2,-0.2 -0.901 12.6-153.0-179.6 151.4 2.6 -17.8 -3.0 82 82 A L E + 0 0 63 -2,-0.3 -13,-0.1 -13,-0.2 -14,-0.1 -0.565 15.0 172.1-140.6 77.7 2.6 -14.3 -4.7 83 83 A T E S+ 0 0 95 -2,-0.2 2,-0.4 -15,-0.1 -14,-0.1 0.634 72.1 72.1 -60.8 -6.4 2.2 -14.6 -8.4 84 84 A G E +F 68 0A 9 -16,-1.2 -16,-0.8 -31,-0.1 2,-0.2 -0.861 54.2 135.0-112.1 147.8 1.8 -10.7 -8.1 85 85 A Y E +F 67 0A 173 -2,-0.4 2,-0.3 -18,-0.2 -18,-0.3 -0.607 13.9 153.2 174.2 120.7 4.6 -8.3 -7.3 86 86 A Q E -F 66 0A 84 -20,-1.5 -20,-1.0 -2,-0.2 -29,-0.1 -0.992 26.6-144.0-158.4 150.3 5.7 -4.9 -8.8 87 87 A V - 0 0 59 -2,-0.3 5,-0.4 -22,-0.2 4,-0.1 0.158 30.4-114.7 -92.9-146.3 7.4 -1.7 -7.9 88 88 A D + 0 0 6 3,-0.1 2,-0.6 -23,-0.1 -1,-0.2 -0.362 69.6 101.8-133.0-146.7 6.5 1.8 -9.2 89 89 A K S S- 0 0 125 1,-0.2 -24,-0.1 -30,-0.1 -1,-0.1 -0.202 119.0 -33.6 90.3 -43.5 7.8 4.6 -11.4 90 90 A N S S+ 0 0 88 -2,-0.6 -1,-0.2 -26,-0.3 -27,-0.1 0.300 111.0 102.5 161.6 39.0 5.6 3.5 -14.3 91 91 A K S S+ 0 0 96 -27,-0.6 -26,-0.1 -4,-0.1 -3,-0.1 0.828 92.3 31.9-103.8 -51.6 5.3 -0.3 -14.3 92 92 A D S S+ 0 0 10 -28,-1.6 2,-1.3 -5,-0.4 -27,-0.2 0.214 82.0 147.7 -89.7 18.7 1.8 -0.9 -12.9 93 93 A D + 0 0 85 -29,-0.3 2,-0.4 -31,-0.1 -29,-0.1 -0.301 20.7 138.5 -55.7 91.4 0.8 2.4 -14.5 94 94 A E - 0 0 83 -2,-1.3 2,-1.5 2,-0.1 -2,-0.0 -0.909 47.7-148.5-144.1 114.3 -2.8 1.4 -15.2 95 95 A L + 0 0 153 -2,-0.4 2,-0.2 -34,-0.0 -2,-0.1 -0.619 41.9 151.0 -83.0 91.5 -5.9 3.6 -14.7 96 96 A T + 0 0 40 -2,-1.5 2,-0.1 -93,-0.1 -2,-0.1 -0.631 7.9 101.2-114.2 176.0 -8.6 1.1 -13.8 97 97 A G 0 0 44 -2,-0.2 -91,-0.1 1,-0.1 -92,-0.1 -0.187 360.0 360.0 123.0 143.0 -11.7 1.3 -11.6 98 98 A F 0 0 256 -94,-0.1 -1,-0.1 -2,-0.1 -92,-0.0 0.930 360.0 360.0 -44.5 360.0 -15.4 1.6 -12.3