==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 02-JUN-04 1TIJ . COMPND 2 MOLECULE: CYSTATIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.JANOWSKI,M.KOZAK,M.ABRAHAMSON,A.GRUBB,M.JASKOLSKI . 226 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 70.8 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 . 92 40.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 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 . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 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 . 2 1 0 1 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A P 0 0 108 0, 0.0 2,-0.3 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 169.7 110.7 67.3 128.1 2 8 A R - 0 0 75 1,-0.2 3,-0.3 48,-0.1 48,-0.1 -0.869 360.0-154.3-141.6 99.1 109.0 70.7 128.0 3 9 A L S S- 0 0 82 -2,-0.3 49,-1.2 1,-0.2 97,-0.4 0.887 82.0 -2.7 -35.8 -66.5 106.7 71.3 125.1 4 10 A V S S+ 0 0 98 47,-0.1 2,-0.3 95,-0.1 -1,-0.2 -0.951 79.5 141.0-141.1 116.3 107.0 75.0 125.1 5 11 A G - 0 0 24 -2,-0.4 45,-0.1 -3,-0.3 -3,-0.0 -0.864 49.9 -94.4-140.9 173.1 109.1 77.1 127.5 6 12 A G - 0 0 49 -2,-0.3 2,-0.4 1,-0.1 44,-0.3 -0.223 54.3 -85.4 -80.4-179.4 111.3 80.2 127.2 7 13 A P - 0 0 58 0, 0.0 2,-0.3 0, 0.0 42,-0.2 -0.765 46.6-162.6 -92.2 135.8 115.1 79.8 126.8 8 14 A M E -A 48 0A 86 40,-1.8 40,-2.7 -2,-0.4 2,-0.3 -0.735 26.8 -96.2-113.6 164.7 117.1 79.4 130.0 9 15 A D E -A 47 0A 113 38,-0.3 38,-0.3 -2,-0.3 2,-0.2 -0.647 39.1-158.5 -79.9 135.0 120.8 79.8 130.8 10 16 A A - 0 0 16 36,-3.9 2,-0.3 -2,-0.3 36,-0.2 -0.609 27.5 -97.8-104.7 167.4 122.7 76.5 130.7 11 17 A S > - 0 0 48 -2,-0.2 3,-1.7 1,-0.1 6,-0.3 -0.688 23.6-131.0 -84.7 144.1 126.0 75.8 132.4 12 18 A V T 3 S+ 0 0 79 -2,-0.3 -1,-0.1 1,-0.3 33,-0.0 0.378 106.3 69.9 -73.3 5.6 128.9 76.2 130.1 13 19 A E T 3 S+ 0 0 139 4,-0.0 -1,-0.3 5,-0.0 3,-0.0 0.591 71.1 115.1 -96.7 -14.6 129.9 72.9 131.5 14 20 A E <> - 0 0 59 -3,-1.7 4,-3.2 1,-0.1 5,-0.1 -0.296 66.4-138.7 -60.7 137.4 127.2 71.0 129.8 15 21 A E H > S+ 0 0 125 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.941 106.5 55.6 -59.4 -46.1 128.3 68.4 127.2 16 22 A G H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.926 111.6 40.2 -51.6 -54.2 125.4 69.6 125.1 17 23 A V H > S+ 0 0 4 -6,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.918 114.2 56.2 -61.9 -42.9 126.6 73.3 125.2 18 24 A R H X S+ 0 0 130 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.938 114.2 37.6 -53.6 -50.9 130.2 72.0 124.8 19 25 A R H X S+ 0 0 143 -4,-3.5 4,-3.4 2,-0.2 5,-0.3 0.964 112.9 55.1 -66.7 -52.3 129.3 70.1 121.7 20 26 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 -5,-0.3 -1,-0.2 0.877 112.5 48.1 -48.4 -38.8 126.9 72.7 120.3 21 27 A L H >X S+ 0 0 21 -4,-2.9 4,-2.4 -5,-0.2 3,-0.5 0.987 110.3 46.4 -66.2 -61.8 129.8 75.1 120.7 22 28 A D H 3X S+ 0 0 119 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.821 113.1 54.5 -50.9 -32.9 132.5 73.0 119.0 23 29 A F H 3X S+ 0 0 44 -4,-3.4 4,-2.3 2,-0.2 -1,-0.2 0.913 109.3 44.0 -68.1 -45.1 130.1 72.3 116.2 24 30 A A H < S+ 0 0 10 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.890 106.8 63.2 -68.7 -35.9 135.6 78.2 110.3 30 36 A K H 3< S+ 0 0 153 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.1 32.3 -54.8 -37.6 134.1 76.4 107.3 31 37 A A T 3< S+ 0 0 94 -4,-1.6 2,-0.3 -3,-0.2 -1,-0.3 0.287 92.1 117.4-104.5 9.3 132.6 79.7 106.1 32 38 A S < - 0 0 18 -3,-1.2 2,-1.2 -4,-0.4 -3,-0.0 -0.587 67.4-123.5 -87.8 141.8 135.1 82.4 107.3 33 39 A N S S+ 0 0 164 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.658 80.9 88.0 -76.3 102.1 137.1 84.7 105.1 34 40 A D S S- 0 0 20 -2,-1.2 -2,-0.1 -5,-0.1 148,-0.0 -0.749 73.2-136.2 168.6 141.4 140.4 83.7 106.4 35 41 A M S S+ 0 0 117 -2,-0.2 147,-2.7 2,-0.1 2,-0.4 0.535 84.9 91.6 -88.6 -5.0 143.0 81.0 105.7 36 42 A Y E S- B 0 181A 40 145,-0.2 145,-0.2 146,-0.1 143,-0.1 -0.740 77.1-123.9-103.2 139.1 143.3 80.6 109.5 37 43 A H E - 0 0 33 143,-1.2 141,-3.1 -2,-0.4 2,-0.3 -0.247 30.1-154.4 -65.0 152.9 141.4 78.3 111.9 38 44 A S E - B 0 177A 0 139,-0.2 2,-0.3 -13,-0.2 139,-0.2 -0.981 9.0-166.2-136.3 148.3 139.6 80.1 114.7 39 45 A R E - B 0 176A 66 137,-1.5 137,-2.7 -2,-0.3 2,-0.2 -0.916 37.8 -81.2-133.0 158.7 138.6 79.0 118.2 40 46 A A E - B 0 175A 34 -2,-0.3 135,-0.3 135,-0.2 3,-0.1 -0.363 32.4-176.0 -58.8 123.0 136.3 80.2 121.0 41 47 A L E S- 0 0 77 133,-4.2 2,-0.3 1,-0.4 134,-0.2 0.817 74.7 -21.9 -89.0 -33.8 138.1 82.9 123.0 42 48 A Q E - B 0 174A 101 132,-1.5 132,-3.5 -3,-0.1 2,-0.7 -0.965 48.9-134.2-169.9 152.4 135.1 82.9 125.3 43 49 A V E - B 0 173A 34 -2,-0.3 130,-0.2 130,-0.2 3,-0.1 -0.935 25.2-176.7-110.1 103.8 131.4 81.9 125.5 44 50 A V E + 0 0 87 128,-1.5 2,-0.3 -2,-0.7 129,-0.1 0.796 67.0 7.4 -76.7 -29.5 129.9 85.0 127.2 45 51 A R E - B 0 172A 116 127,-1.1 127,-1.6 2,-0.0 2,-0.2 -0.978 61.3-171.0-145.6 155.3 126.4 83.7 127.5 46 52 A A E + B 0 171A 6 -2,-0.3 -36,-3.9 125,-0.2 2,-0.3 -0.626 10.1 168.8-157.7 97.8 124.7 80.3 126.8 47 53 A R E -AB 9 170A 56 123,-1.9 123,-3.8 -38,-0.3 -38,-0.3 -0.736 10.4-165.9-106.7 155.2 121.0 79.5 126.8 48 54 A K E -AB 8 169A 43 -40,-2.7 -40,-1.8 -2,-0.3 2,-0.3 -0.801 2.9-171.9-128.1 174.5 119.1 76.4 125.7 49 55 A Q E - B 0 168A 31 119,-1.1 119,-2.4 -2,-0.3 2,-0.6 -0.977 19.9-122.8-160.9 158.7 115.5 75.6 125.0 50 56 A I E - B 0 167A 41 -2,-0.3 2,-0.5 -44,-0.3 -45,-0.3 -0.870 10.8-163.9-124.6 113.2 113.5 72.6 124.2 51 57 A V E - B 0 166A 9 115,-1.3 115,-2.6 -2,-0.6 2,-0.4 -0.714 19.3-162.2 -81.7 128.8 111.4 72.0 121.1 52 58 A A E - B 0 165A 2 -49,-1.2 2,-0.5 -2,-0.5 48,-0.4 -0.926 10.1-169.8-115.1 141.2 109.0 69.1 121.8 53 59 A G E - B 0 164A 2 111,-2.1 111,-3.3 -2,-0.4 2,-0.5 -0.982 6.6-160.0-128.7 118.4 107.2 67.2 119.2 54 60 A V E -CB 97 163A 4 43,-3.5 43,-3.0 -2,-0.5 2,-0.4 -0.879 1.8-159.2-101.3 129.4 104.5 64.8 120.2 55 61 A N E -CB 96 162A 20 107,-3.5 107,-2.7 -2,-0.5 2,-0.4 -0.881 13.6-160.6 -99.3 133.6 103.4 62.0 117.8 56 62 A Y E -CB 95 161A 22 39,-2.8 39,-2.4 -2,-0.4 2,-0.6 -0.950 11.2-162.4-117.3 137.5 99.9 60.6 118.6 57 63 A F E -CB 94 160A 25 103,-3.8 103,-3.1 -2,-0.4 2,-0.5 -0.930 17.4-175.2-120.9 107.1 98.5 57.3 117.4 58 64 A L E -CB 93 159A 0 35,-2.2 35,-2.3 -2,-0.6 2,-0.8 -0.868 16.5-156.2-106.8 128.9 94.7 57.2 117.8 59 65 A D E +CB 92 158A 36 99,-3.5 98,-2.5 -2,-0.5 99,-1.3 -0.884 26.3 179.8-106.7 114.0 92.5 54.3 117.1 60 66 A V E -CB 91 156A 0 31,-2.7 31,-3.7 -2,-0.8 2,-0.6 -0.903 32.0-158.3-123.5 138.5 89.1 55.5 116.3 61 67 A E E -CB 90 155A 20 94,-2.4 93,-2.5 -2,-0.4 94,-1.2 -0.947 30.6-156.7-104.0 114.6 85.7 54.0 115.3 62 68 A L E -CB 89 153A 0 27,-3.9 27,-1.1 -2,-0.6 2,-0.3 -0.763 6.2-156.5-100.7 147.4 83.8 56.8 113.5 63 69 A G E -CB 88 152A 3 89,-2.7 89,-2.0 -2,-0.3 2,-0.6 -0.814 21.1-113.4-116.4 157.6 80.1 57.1 113.2 64 70 A R E - B 0 151A 45 23,-1.4 16,-2.3 -2,-0.3 87,-0.2 -0.774 34.5-152.2 -92.9 120.6 78.0 59.0 110.6 65 71 A T E -H 79 0B 0 85,-1.9 14,-0.2 -2,-0.6 12,-0.1 -0.362 23.9-116.7 -90.9 173.8 76.0 61.9 111.9 66 72 A T E S+ 0 0 59 12,-2.1 13,-0.1 -2,-0.1 11,-0.1 0.700 86.2 94.8 -76.9 -27.4 72.8 63.6 110.9 67 73 A a E S- 0 0 2 11,-0.3 83,-1.0 83,-0.2 2,-0.3 -0.322 75.3-125.8 -66.3 156.6 74.5 66.9 110.1 68 74 A T E - B 0 149A 48 81,-0.2 3,-0.5 1,-0.1 81,-0.3 -0.713 14.2-121.6-101.2 155.7 75.4 67.5 106.4 69 75 A K S S+ 0 0 64 79,-3.9 2,-1.9 1,-0.3 80,-0.1 0.931 112.5 55.7 -65.2 -41.5 78.9 68.4 105.3 70 76 A T S S+ 0 0 137 78,-0.4 -1,-0.3 -3,-0.0 -2,-0.0 -0.433 87.1 124.6 -85.7 61.1 77.7 71.6 103.7 71 77 A Q - 0 0 69 -2,-1.9 3,-0.1 -3,-0.5 -4,-0.0 -0.984 48.9-162.3-127.4 135.9 76.1 72.7 107.0 72 78 A P S S+ 0 0 119 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.924 81.5 58.4 -76.8 -52.1 76.7 76.0 108.8 73 79 A N + 0 0 130 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.769 56.1 160.8 -87.2 110.4 75.4 75.0 112.3 74 80 A L + 0 0 62 -2,-0.8 3,-0.2 1,-0.1 -1,-0.1 0.084 42.7 103.4-117.4 21.2 77.4 72.0 113.6 75 81 A D S S+ 0 0 169 1,-0.2 2,-0.6 0, 0.0 -1,-0.1 0.831 83.1 44.8 -74.0 -31.1 76.6 72.2 117.3 76 82 A N + 0 0 123 -3,-0.1 -1,-0.2 2,-0.0 -3,-0.0 -0.862 63.9 156.2-117.8 98.8 74.0 69.4 117.2 77 83 A a - 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