==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE INHIBITOR 18-FEB-09 3GAX . COMPND 2 MOLECULE: CYSTATIN-C; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.KOLODZIEJCZYK,K.MICHALSKA,A.HERNANDEZ-SANTOYO,M.WAHLBOM,A. . 214 4 6 4 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11649.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 69.2 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 . 87 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 . 2 0.9 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 . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 15.9 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 2 0 0 0 0 0 0 0 0 0 0 0 0 2 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 0 0 0 0 0 2 2 0 2 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 2 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 12 A G 0 0 90 0, 0.0 44,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 164.3 -18.8 20.1 56.7 2 13 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 42,-0.3 -0.417 360.0-145.3 -71.0 145.5 -18.5 23.8 55.8 3 14 A M E -A 43 0A 89 40,-3.8 40,-2.4 -2,-0.1 0, 0.0 -0.751 29.9 -88.4-107.3 154.2 -18.0 24.7 52.1 4 15 A D E +A 42 0A 138 -2,-0.3 2,-0.3 38,-0.2 38,-0.3 -0.305 51.7 174.4 -58.2 144.8 -16.0 27.6 50.8 5 16 A A E -A 41 0A 13 36,-2.5 36,-0.5 -3,-0.0 2,-0.3 -0.839 14.5-142.6-141.6 175.1 -17.8 30.9 50.5 6 17 A S > - 0 0 14 -2,-0.3 3,-2.0 34,-0.1 6,-0.3 -0.981 29.8-109.7-143.2 162.7 -16.9 34.4 49.6 7 18 A V T 3 S+ 0 0 0 -2,-0.3 6,-0.2 1,-0.3 163,-0.1 0.624 109.2 75.3 -68.8 -13.4 -17.6 37.9 50.4 8 19 A E T 3 S+ 0 0 96 4,-0.1 2,-0.4 5,-0.0 -1,-0.3 0.703 77.7 93.9 -63.0 -22.2 -19.4 38.3 47.1 9 20 A E S <> S- 0 0 55 -3,-2.0 4,-2.0 1,-0.1 5,-0.2 -0.639 77.8-139.3 -76.1 128.8 -22.2 36.4 48.7 10 21 A E H > S+ 0 0 91 -2,-0.4 4,-2.3 1,-0.2 5,-0.1 0.873 101.5 52.4 -54.0 -43.6 -24.8 38.6 50.2 11 22 A G H > S+ 0 0 17 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.885 108.7 51.3 -62.5 -44.4 -25.2 36.3 53.3 12 23 A V H > S+ 0 0 0 -6,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.931 109.0 48.9 -55.8 -47.9 -21.5 36.4 54.0 13 24 A R H X S+ 0 0 71 -4,-2.0 4,-2.5 -6,-0.2 -2,-0.2 0.915 113.5 49.4 -59.9 -41.8 -21.4 40.2 53.8 14 25 A R H X S+ 0 0 157 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.931 111.8 46.4 -64.6 -44.3 -24.4 40.3 56.2 15 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.894 112.6 52.5 -64.4 -39.7 -22.8 37.9 58.7 16 27 A L H X S+ 0 0 5 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.945 110.3 45.3 -59.9 -49.4 -19.5 39.9 58.4 17 28 A D H X S+ 0 0 68 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.901 113.3 51.6 -66.7 -41.0 -21.2 43.3 59.2 18 29 A F H X S+ 0 0 45 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.939 111.7 46.2 -55.5 -52.3 -23.1 41.7 62.0 19 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.877 114.0 46.7 -62.3 -45.4 -19.9 40.2 63.6 20 31 A V H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.898 110.7 54.7 -65.3 -41.4 -17.9 43.3 63.3 21 32 A G H X S+ 0 0 36 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.922 110.2 45.5 -51.2 -50.7 -20.9 45.2 64.7 22 33 A E H X S+ 0 0 70 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.923 110.3 55.2 -61.7 -46.0 -20.9 42.9 67.8 23 34 A Y H X S+ 0 0 57 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.904 111.6 43.3 -46.9 -50.7 -17.1 43.3 68.1 24 35 A N H < S+ 0 0 7 -4,-2.5 3,-0.5 2,-0.2 -2,-0.2 0.901 112.5 52.1 -69.9 -41.8 -17.3 47.1 68.2 25 36 A K H < S+ 0 0 167 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 112.8 46.5 -57.3 -47.5 -20.3 47.0 70.6 26 37 A A H < S+ 0 0 83 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.650 96.2 91.8 -68.3 -21.8 -18.3 44.7 73.0 27 38 A S < - 0 0 28 -4,-1.1 -3,-0.0 -3,-0.5 -4,-0.0 -0.438 68.3-142.3 -85.5 158.4 -15.0 46.6 73.0 28 39 A N + 0 0 166 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.326 64.1 123.8 -92.8 1.3 -13.9 49.3 75.4 29 40 A D - 0 0 42 1,-0.1 35,-0.1 -5,-0.1 4,-0.1 -0.410 59.7-147.4 -62.5 140.0 -12.2 51.1 72.5 30 41 A M S S+ 0 0 147 -2,-0.1 34,-2.6 33,-0.1 35,-0.3 0.729 82.6 65.6 -77.6 -20.2 -13.4 54.7 72.1 31 42 A Y E S- B 0 63A 87 32,-0.3 32,-0.3 33,-0.1 2,-0.3 -0.675 87.4-110.0-107.9 149.9 -12.8 54.1 68.3 32 43 A H E - 0 0 50 30,-2.4 28,-2.1 -2,-0.2 2,-0.3 -0.607 25.5-152.1 -78.5 140.6 -14.4 51.9 65.7 33 44 A S E - B 0 59A 3 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.824 13.2-171.7-107.5 149.5 -12.6 48.9 64.2 34 45 A R E - B 0 58A 10 24,-1.7 24,-3.2 -2,-0.3 2,-0.7 -0.956 35.0 -88.7-137.9 158.0 -13.2 47.5 60.7 35 46 A A E + B 0 57A 16 -2,-0.3 147,-0.3 22,-0.2 22,-0.3 -0.589 33.8 178.8 -69.7 111.1 -12.1 44.5 58.6 36 47 A a E S+ 0 0 12 20,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.601 76.3 13.1 -83.0 -18.3 -8.9 45.4 56.7 37 48 A Q E - B 0 56A 56 19,-1.4 19,-3.0 -3,-0.1 2,-0.8 -0.911 59.8-147.3-158.9 131.7 -8.9 41.9 55.2 38 49 A V E - B 0 55A 5 -2,-0.3 17,-0.3 145,-0.3 3,-0.1 -0.912 23.3-179.1 -96.7 113.2 -11.3 39.0 54.9 39 50 A V E - 0 0 62 15,-2.2 2,-0.3 -2,-0.8 16,-0.2 0.933 60.5 -3.1 -86.4 -44.4 -8.9 36.1 55.1 40 51 A R E - B 0 54A 109 14,-1.7 14,-2.6 2,-0.0 2,-0.4 -0.996 54.7-167.8-150.3 142.5 -11.4 33.2 54.7 41 52 A A E +AB 5 53A 3 -36,-0.5 -36,-2.5 -2,-0.3 2,-0.3 -0.999 16.4 161.4-132.8 133.7 -15.1 32.7 54.5 42 53 A R E -AB 4 52A 52 10,-2.3 10,-2.7 -2,-0.4 2,-0.3 -0.939 12.4-165.8-135.7 168.7 -16.9 29.4 54.8 43 54 A K E -AB 3 51A 47 -40,-2.4 -40,-3.8 -2,-0.3 2,-0.4 -0.999 7.9-161.9-158.3 157.5 -20.4 28.2 55.4 44 55 A Q E - B 0 50A 54 6,-2.2 6,-2.6 -2,-0.3 2,-0.5 -0.999 20.8-129.3-142.6 138.0 -22.6 25.3 56.3 45 56 A I E + B 0 49A 99 -2,-0.4 4,-0.2 -44,-0.2 2,-0.2 -0.755 45.2 138.5 -91.4 129.4 -26.2 24.6 55.9 46 57 A V S S- 0 0 64 2,-2.9 2,-1.8 -2,-0.5 -1,-0.0 -0.308 82.7 -37.5-130.9-147.4 -27.9 23.3 59.1 47 58 A A S S- 0 0 79 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.620 139.8 -12.3 -70.4 69.1 -31.4 24.3 60.4 48 59 A G S S- 0 0 0 -2,-1.8 -2,-2.9 44,-0.1 2,-0.4 -0.911 108.4 -62.2 122.1-161.2 -30.3 27.7 59.1 49 60 A V E -BC 45 91A 14 42,-3.8 42,-3.7 -2,-0.3 2,-0.5 -0.999 33.7-154.1-134.0 129.1 -26.8 28.7 58.0 50 61 A N E -BC 44 90A 22 -6,-2.6 -6,-2.2 -2,-0.4 2,-0.4 -0.909 13.7-158.7 -97.1 127.9 -23.5 28.8 60.0 51 62 A Y E -BC 43 89A 15 38,-2.9 38,-2.3 -2,-0.5 2,-0.5 -0.905 5.1-163.2-106.4 137.5 -20.9 31.2 58.7 52 63 A F E +BC 42 88A 37 -10,-2.7 -10,-2.3 -2,-0.4 2,-0.5 -0.982 16.4 179.5-120.8 113.5 -17.2 30.9 59.6 53 64 A L E -BC 41 87A 2 34,-2.5 34,-2.9 -2,-0.5 2,-0.5 -0.969 19.9-164.9-125.9 127.6 -15.2 34.0 58.9 54 65 A D E +BC 40 86A 11 -14,-2.6 -15,-2.2 -2,-0.5 -14,-1.7 -0.974 29.0 165.9-105.1 119.9 -11.5 34.7 59.5 55 66 A V E -BC 38 85A 0 30,-2.9 30,-2.8 -2,-0.5 2,-0.5 -0.929 36.9-134.3-134.0 153.1 -10.9 38.4 59.3 56 67 A E E -BC 37 84A 33 -19,-3.0 -20,-1.9 -2,-0.3 -19,-1.4 -0.979 25.4-156.6-105.4 129.8 -8.2 40.9 60.2 57 68 A L E -BC 35 83A 2 26,-2.5 26,-2.4 -2,-0.5 2,-0.4 -0.897 7.9-168.4-109.0 137.1 -9.6 43.9 62.1 58 69 A a E -B 34 0A 3 -24,-3.2 -24,-1.7 -2,-0.4 23,-0.2 -0.977 23.9-115.0-132.3 128.8 -7.8 47.3 62.1 59 70 A R E -B 33 0A 30 21,-2.7 15,-2.4 -2,-0.4 -26,-0.2 -0.308 30.0-153.1 -66.3 144.6 -8.5 50.4 64.3 60 71 A T E -E 73 0B 0 -28,-2.1 13,-0.2 13,-0.2 -1,-0.1 -0.603 25.7-111.9-109.9 174.0 -9.7 53.5 62.6 61 72 A T E S+ 0 0 32 11,-1.4 2,-0.4 -2,-0.2 12,-0.1 0.387 85.9 96.3 -92.4 5.3 -9.3 57.2 63.5 62 73 A b E S- 0 0 5 -30,-0.3 -30,-2.4 10,-0.2 -2,-0.2 -0.820 71.5-127.4 -98.3 139.8 -13.1 57.6 64.2 63 74 A T E -B 31 0A 43 -2,-0.4 -32,-0.3 -32,-0.3 -33,-0.1 -0.321 32.0-108.0 -69.6 162.4 -14.8 57.4 67.5 64 75 A K S S+ 0 0 61 -34,-2.6 2,-0.2 -35,-0.1 -33,-0.1 0.722 105.1 74.6 -73.1 -22.2 -17.8 55.1 67.8 65 76 A T 0 0 110 -35,-0.3 -33,-0.1 -33,-0.0 -2,-0.1 -0.575 360.0 360.0 -79.8 157.7 -20.1 58.1 68.0 66 77 A Q 0 0 153 -2,-0.2 -4,-0.0 -4,-0.1 0, 0.0 0.592 360.0 360.0 84.2 360.0 -20.6 59.8 64.5 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 80 A L 0 0 156 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-144.7 -20.0 55.9 57.8 69 81 A D + 0 0 33 108,-0.3 -7,-0.0 1,-0.2 0, 0.0 -0.072 360.0 96.8-124.3 37.5 -17.1 53.3 57.6 70 82 A N + 0 0 56 2,-0.1 -1,-0.2 109,-0.1 3,-0.1 0.308 49.6 133.3 -92.9 3.9 -14.7 55.2 55.3 71 83 A b - 0 0 4 -3,-0.2 2,-0.1 1,-0.1 -37,-0.0 -0.352 65.5-108.9 -56.7 136.4 -12.9 56.2 58.5 72 84 A P - 0 0 6 0, 0.0 -11,-1.4 0, 0.0 2,-0.3 -0.383 21.4-112.3 -77.1 148.8 -9.3 55.5 57.6 73 85 A F B -E 60 0B 2 71,-0.3 -13,-0.2 -13,-0.2 43,-0.1 -0.574 44.4 -99.0 -67.3 139.4 -7.2 52.7 59.0 74 86 A H - 0 0 7 -15,-2.4 73,-0.4 -2,-0.3 -1,-0.1 -0.268 22.8-154.6 -53.0 136.3 -4.4 53.9 61.2 75 87 A D S S+ 0 0 25 71,-0.1 -1,-0.1 -3,-0.1 3,-0.1 0.791 75.9 80.7 -81.9 -35.6 -1.0 54.1 59.5 76 88 A Q S >> S- 0 0 117 1,-0.2 4,-2.7 2,-0.1 3,-1.9 -0.629 76.3-143.2 -75.3 123.4 0.9 53.8 62.8 77 89 A P H 3> S+ 0 0 72 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.894 98.8 55.6 -56.0 -43.1 1.1 50.1 63.7 78 90 A H H 34 S+ 0 0 165 1,-0.2 -2,-0.1 2,-0.2 -3,-0.0 0.635 115.9 40.1 -75.8 -0.5 0.8 50.6 67.5 79 91 A L H <4 S+ 0 0 57 -3,-1.9 -1,-0.2 -20,-0.1 -20,-0.1 0.739 112.6 53.6-101.0 -33.3 -2.5 52.6 66.8 80 92 A K H < S- 0 0 25 -4,-2.7 -21,-2.7 -22,-0.1 -2,-0.2 0.873 80.1-175.4 -61.3 -45.7 -3.7 50.2 64.1 81 93 A R < - 0 0 147 -4,-2.7 -3,-0.1 -5,-0.2 -24,-0.1 0.870 20.4-144.5 48.0 57.0 -3.3 47.3 66.5 82 94 A K - 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