==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-FEB-02 1KYN . COMPND 2 MOLECULE: CATHEPSIN G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.N.GRECO,M.J.HAWKINS,E.T.POWELL,H.R.ALMOND JR., . 448 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 60.7 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 . 124 27.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 2.0 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 . 1 0.2 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 . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 5.6 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+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 2 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 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 . 12 6 2 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 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 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 16 A I 0 0 0 0, 0.0 3,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 105.3 37.0 34.9 -3.7 2 17 A I B -A 175 0A 31 173,-2.6 173,-1.1 1,-0.2 129,-0.1 -0.662 360.0 -2.6 -83.5 130.0 39.0 37.4 -5.7 3 18 A G S S+ 0 0 29 -2,-0.4 -1,-0.2 127,-0.4 171,-0.1 0.430 104.2 128.3 73.0 -2.3 41.7 39.3 -3.8 4 19 A G - 0 0 5 -3,-0.5 2,-0.3 171,-0.2 138,-0.3 -0.122 54.1-123.0 -78.6 179.3 40.8 37.5 -0.6 5 20 A R E -B 141 0B 190 136,-2.8 136,-2.0 -3,-0.1 -1,-0.1 -0.941 34.4 -87.9-126.1 147.8 43.0 35.5 1.9 6 21 A E E -B 140 0B 96 -2,-0.3 134,-0.3 134,-0.3 2,-0.1 -0.222 46.2-122.5 -53.8 135.2 42.7 31.9 3.1 7 22 A S - 0 0 3 132,-2.3 3,-0.1 1,-0.1 -1,-0.1 -0.440 33.0 -92.4 -78.7 154.5 40.5 31.5 6.1 8 23 A R > - 0 0 187 1,-0.1 3,-2.7 -2,-0.1 4,-0.3 -0.549 62.7 -87.1 -67.9 121.7 41.8 30.0 9.3 9 24 A P T 3 S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 0.025 109.5 -5.1 -33.8 117.8 41.1 26.3 9.0 10 25 A H T 3 S+ 0 0 41 46,-0.3 47,-0.1 2,-0.2 -2,-0.1 0.713 90.4 131.0 64.6 23.5 37.5 25.7 10.4 11 26 A S S < S+ 0 0 50 -3,-2.7 -1,-0.1 1,-0.3 46,-0.1 0.681 76.0 46.0 -76.7 -16.9 37.2 29.3 11.5 12 27 A R > + 0 0 48 -4,-0.3 3,-1.0 44,-0.2 -1,-0.3 -0.749 65.8 167.9-127.3 81.9 33.8 29.3 9.7 13 28 A P T 3 S+ 0 0 12 0, 0.0 42,-0.8 0, 0.0 43,-0.2 0.889 75.4 62.2 -60.7 -43.2 32.0 26.1 10.7 14 29 A Y T 3 S+ 0 0 28 91,-0.3 19,-2.3 92,-0.2 2,-0.3 0.692 78.5 112.7 -58.1 -19.1 28.7 27.2 9.3 15 30 A M B < -H 32 0C 2 -3,-1.0 40,-0.4 17,-0.2 41,-0.4 -0.420 53.2-165.9 -61.9 117.1 30.4 27.3 5.9 16 31 A A - 0 0 0 15,-4.0 2,-0.6 -2,-0.3 15,-0.3 -0.781 14.2-138.0-106.9 150.7 28.9 24.5 3.7 17 32 A Y B -L 53 0D 12 36,-1.1 36,-0.7 -2,-0.3 2,-0.3 -0.928 16.4-153.5-113.1 113.4 30.3 23.1 0.5 18 33 A L B -N 29 0E 0 11,-3.0 11,-1.7 -2,-0.6 2,-0.3 -0.640 9.9-170.6 -87.0 140.1 27.7 22.4 -2.3 19 34 A Q + 0 0 69 -2,-0.3 32,-0.8 9,-0.2 9,-0.1 -0.653 14.4 167.5-130.6 75.4 28.4 19.8 -4.9 20 35 A I > + 0 0 7 7,-0.4 2,-2.3 -2,-0.3 4,-1.4 0.471 40.2 124.9 -66.7 0.5 25.7 20.1 -7.6 21 36 A Q T 4 + 0 0 84 1,-0.2 5,-0.3 5,-0.2 -1,-0.1 -0.390 67.8 38.0 -65.1 78.3 28.0 17.8 -9.6 22 36AA S T 4 S+ 0 0 73 -2,-2.3 3,-0.2 3,-1.5 -1,-0.2 -0.058 117.6 28.7 177.2 -61.6 25.3 15.1 -10.3 23 36BA P T 4 S+ 0 0 35 0, 0.0 -2,-0.1 0, 0.0 2,-0.1 0.600 130.4 25.1 -98.4 -13.8 21.7 16.2 -11.0 24 37 A A S < S- 0 0 41 -4,-1.4 3,-0.4 1,-0.6 -4,-0.1 -0.573 119.9 -65.0-151.9 82.2 22.5 19.6 -12.5 25 38 A G - 0 0 49 -3,-0.2 -3,-1.5 1,-0.2 -1,-0.6 -0.304 64.0 -87.6 70.5-159.3 25.9 20.0 -14.1 26 39 A Q S S+ 0 0 147 -5,-0.3 2,-0.5 -3,-0.1 -1,-0.2 -0.397 70.3 129.8-151.6 66.5 29.0 19.9 -11.9 27 40 A S - 0 0 83 -3,-0.4 -7,-0.4 18,-0.0 152,-0.1 -0.942 53.7-121.2-130.5 113.3 29.9 23.2 -10.4 28 41 A R - 0 0 71 -2,-0.5 2,-0.3 -9,-0.1 -9,-0.2 0.079 31.5-166.0 -44.3 155.2 30.6 23.7 -6.7 29 42 A a B -N 18 0E 13 -11,-1.7 -11,-3.0 151,-0.1 153,-0.2 -0.959 14.4-118.4-145.6 161.3 28.5 26.2 -4.7 30 43 A G + 0 0 2 151,-3.0 2,-0.2 -2,-0.3 153,-0.2 -0.261 34.2 152.2 -92.2-177.0 28.5 27.9 -1.4 31 44 A G - 0 0 0 -15,-0.3 -15,-4.0 10,-0.1 2,-0.3 -0.762 27.5-131.8 160.9 154.1 26.1 27.8 1.5 32 45 A F E -HI 15 40C 0 8,-2.1 8,-3.0 -17,-0.2 2,-0.7 -0.969 25.3-110.7-132.4 147.2 25.8 28.2 5.3 33 46 A L E + I 0 39C 0 -19,-2.3 74,-2.6 -2,-0.3 6,-0.2 -0.627 36.5 166.8 -76.9 111.1 24.3 26.2 8.1 34 47 A V + 0 0 16 4,-1.3 2,-0.2 -2,-0.7 -1,-0.2 0.745 69.1 6.7 -93.1 -30.0 21.3 28.1 9.5 35 48 A R S S- 0 0 91 3,-1.8 3,-0.4 71,-0.1 63,-0.1 -0.755 87.9 -88.1-139.3-175.0 20.0 25.2 11.5 36 49 A E S S+ 0 0 60 -2,-0.2 62,-2.3 1,-0.2 60,-0.1 0.827 127.2 17.8 -69.8 -33.8 20.8 21.7 12.6 37 50 A D S S+ 0 0 12 60,-0.2 57,-0.6 58,-0.0 2,-0.4 -0.034 115.8 82.1-128.0 29.5 19.3 20.1 9.5 38 51 A F E - J 0 93C 2 -3,-0.4 -3,-1.8 55,-0.2 -4,-1.3 -0.997 48.4-172.5-142.4 136.3 19.1 23.1 7.2 39 52 A V E -IJ 33 92C 0 53,-1.2 53,-2.6 -2,-0.4 2,-0.5 -0.981 16.6-141.9-126.6 136.8 21.5 24.9 4.9 40 53 A L E +IJ 32 91C 0 -8,-3.0 -8,-2.1 -2,-0.4 2,-0.3 -0.875 34.1 147.0-104.2 126.6 20.9 28.2 3.1 41 54 A T E - J 0 90C 0 49,-3.2 49,-3.1 -2,-0.5 141,-0.1 -0.959 52.9 -67.6-149.5 162.9 22.2 28.7 -0.4 42 55 A A > - 0 0 0 -2,-0.3 3,-1.1 47,-0.2 47,-0.3 -0.113 41.1-124.0 -51.7 149.5 21.3 30.5 -3.6 43 56 A A T 3 S+ 0 0 1 1,-0.2 3,-0.3 2,-0.1 -1,-0.1 0.524 109.4 60.5 -74.9 -4.9 18.2 29.2 -5.4 44 57 A H T 3 S+ 0 0 63 1,-0.2 -1,-0.2 44,-0.1 -2,-0.1 0.513 83.0 75.5 -99.2 -8.2 20.3 28.8 -8.5 45 58 A a S < S+ 0 0 3 -3,-1.1 -1,-0.2 -15,-0.0 -2,-0.1 0.096 76.1 139.4 -87.9 22.9 22.7 26.3 -7.0 46 59 A W + 0 0 81 -3,-0.3 2,-0.3 2,-0.0 -3,-0.0 -0.280 22.8 162.0 -71.4 152.5 19.9 23.8 -7.3 47 60 A G - 0 0 2 27,-0.1 3,-0.3 -26,-0.1 27,-0.1 -0.948 49.4-114.2-159.1 166.7 20.3 20.2 -8.4 48 61 A S S S+ 0 0 82 -2,-0.3 2,-0.1 1,-0.3 -2,-0.0 0.271 112.3 24.6 -91.5 9.8 18.3 16.9 -8.3 49 63 A N S S+ 0 0 92 -29,-0.1 2,-0.4 24,-0.0 -1,-0.3 -0.434 74.8 180.0-174.3 87.9 21.0 15.5 -6.0 50 64 A I - 0 0 2 21,-0.3 21,-3.3 -3,-0.3 2,-0.7 -0.821 14.4-155.1-101.9 135.5 23.2 17.8 -3.9 51 65 A N E - M 0 70D 42 -32,-0.8 19,-0.2 -2,-0.4 2,-0.2 -0.888 14.4-164.4-111.6 103.0 25.9 16.6 -1.6 52 66 A V E - M 0 69D 0 17,-1.3 17,-1.3 -2,-0.7 2,-0.4 -0.547 2.6-163.4 -85.3 150.5 26.7 19.0 1.2 53 67 A T E -LM 17 68D 6 -36,-0.7 -36,-1.1 15,-0.2 15,-0.2 -0.931 5.3-169.5-140.5 113.9 29.8 18.8 3.4 54 68 A L E + M 0 67D 0 13,-2.4 13,-2.9 -2,-0.4 -38,-0.1 -0.585 62.5 36.3 -99.9 162.6 30.2 20.6 6.7 55 69 A G S S+ 0 0 1 -42,-0.8 2,-0.3 -40,-0.4 -1,-0.2 0.976 87.4 129.9 62.8 58.1 33.3 21.1 8.8 56 70 A A + 0 0 6 -41,-0.4 -46,-0.3 -44,-0.2 -1,-0.2 -0.925 35.8 168.5-140.5 164.5 35.8 21.5 6.0 57 71 A H S S+ 0 0 11 -2,-0.3 82,-2.4 4,-0.2 2,-0.7 0.441 85.2 36.8-136.6 -54.7 38.6 23.8 4.8 58 72 A N B > -O 138 0F 8 80,-0.2 3,-1.6 1,-0.1 80,-0.2 -0.878 62.3-174.8-110.7 97.5 40.3 21.9 1.9 59 73 A I T 3 S+ 0 0 25 78,-1.6 -1,-0.1 -2,-0.7 79,-0.1 0.738 80.5 69.6 -63.2 -23.7 37.6 20.0 0.0 60 74 A Q T 3 S+ 0 0 122 77,-0.5 2,-0.4 -3,-0.1 -1,-0.3 0.336 98.2 61.5 -78.0 8.8 40.2 18.3 -2.1 61 75 A R S < S- 0 0 162 -3,-1.6 2,-1.6 76,-0.2 -4,-0.2 -0.999 88.5-117.4-140.3 136.2 41.3 16.4 1.0 62 76 A R - 0 0 172 -2,-0.4 2,-0.3 -6,-0.1 -3,-0.1 -0.526 38.3-171.3 -73.3 87.7 39.5 13.9 3.2 63 77 A E > - 0 0 34 -2,-1.6 3,-1.0 -5,-0.2 319,-0.1 -0.642 26.2-139.7 -82.6 136.1 39.5 15.7 6.5 64 78 A N T 3 S+ 0 0 66 317,-0.3 -1,-0.1 -2,-0.3 318,-0.1 0.727 106.0 58.6 -65.9 -20.1 38.3 13.7 9.5 65 79 A T T 3 S+ 0 0 21 2,-0.1 -1,-0.3 38,-0.0 38,-0.1 0.724 85.5 106.0 -79.8 -22.9 36.5 16.9 10.6 66 80 A Q < - 0 0 22 -3,-1.0 2,-0.5 1,-0.1 -11,-0.2 -0.208 58.6-153.1 -59.5 146.5 34.5 16.9 7.4 67 81 A Q E -M 54 0D 13 -13,-2.9 -13,-2.4 2,-0.1 2,-1.3 -0.917 2.6-162.3-127.8 103.8 30.8 16.0 7.4 68 82 A H E +M 53 0D 82 -2,-0.5 2,-0.5 -15,-0.2 -15,-0.2 -0.680 23.5 162.5 -90.5 88.6 29.5 14.6 4.1 69 83 A I E -M 52 0D 0 -17,-1.3 -17,-1.3 -2,-1.3 -2,-0.1 -0.932 30.3-135.6-110.7 124.5 25.7 14.9 4.5 70 84 A T E -M 51 0D 64 -2,-0.5 25,-2.4 -19,-0.2 2,-0.8 -0.344 27.1-102.0 -74.9 156.6 23.5 14.7 1.3 71 85 A A E -K 94 0C 21 -21,-3.3 -21,-0.3 23,-0.2 23,-0.2 -0.725 29.1-171.6 -84.4 111.0 20.6 17.1 0.7 72 86 A R E S+ 0 0 155 21,-1.5 2,-0.3 -2,-0.8 22,-0.2 0.749 78.7 11.2 -72.4 -24.7 17.4 15.3 1.5 73 87 A R E -K 93 0C 109 20,-0.9 20,-2.4 -3,-0.1 2,-0.9 -0.848 60.2-163.4-160.1 117.8 15.4 18.2 0.0 74 88 A A E -K 92 0C 22 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.827 20.5-167.9-105.0 94.3 16.5 21.2 -2.1 75 89 A I E -K 91 0C 53 16,-1.8 16,-1.2 -2,-0.9 2,-0.3 -0.658 3.6-156.4 -87.6 136.1 13.7 23.7 -1.9 76 90 A R E -K 90 0C 117 -2,-0.3 14,-0.2 14,-0.2 12,-0.1 -0.749 34.1 -87.7-106.6 156.0 13.7 26.7 -4.3 77 91 A H > - 0 0 24 12,-0.9 3,-2.2 10,-0.3 -1,-0.1 -0.417 32.8-128.6 -64.8 131.6 11.9 30.0 -3.7 78 92 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 0.734 109.6 36.2 -51.4 -25.6 8.3 30.0 -5.0 79 93 A Q T 3 S+ 0 0 132 8,-0.1 2,-0.9 2,-0.1 7,-0.1 0.001 77.7 147.7-119.8 28.5 9.0 33.2 -6.9 80 94 A Y < - 0 0 46 -3,-2.2 2,-0.3 9,-0.1 7,-0.2 -0.530 36.2-152.5 -69.5 104.0 12.6 32.6 -8.0 81 95 A N - 0 0 46 5,-2.0 5,-0.1 -2,-0.9 4,-0.1 -0.621 12.6-165.3 -79.6 134.4 12.8 34.4 -11.3 82 96 A Q S S+ 0 0 160 -2,-0.3 -1,-0.1 3,-0.2 -2,-0.0 0.651 88.6 45.2 -92.4 -18.7 15.4 33.0 -13.7 83 97 A R S S+ 0 0 206 1,-0.1 75,-0.2 3,-0.1 -1,-0.1 0.889 127.3 25.8 -88.8 -48.7 15.4 36.0 -16.0 84 98 A T S S- 0 0 26 2,-0.1 -2,-0.1 73,-0.1 -1,-0.1 0.584 99.7-134.5 -90.0 -13.7 15.4 38.8 -13.5 85 99 A I + 0 0 48 1,-0.2 3,-0.4 -4,-0.1 2,-0.3 0.905 48.3 156.5 59.9 44.4 17.2 36.6 -11.0 86 100 A Q + 0 0 19 1,-0.2 -5,-2.0 -7,-0.1 -1,-0.2 -0.752 54.5 24.0-101.4 150.0 14.9 37.7 -8.1 87 101 A N S S+ 0 0 13 -2,-0.3 2,-1.7 -7,-0.2 -10,-0.3 0.932 73.7 174.4 63.7 45.8 14.2 35.6 -5.0 88 102 A D + 0 0 0 -3,-0.4 2,-0.3 -8,-0.1 -1,-0.2 -0.567 31.6 116.1 -86.3 74.5 17.5 33.8 -5.4 89 103 A I + 0 0 0 -2,-1.7 -12,-0.9 -47,-0.3 2,-0.3 -0.996 35.5 176.8-145.2 136.7 17.4 31.8 -2.2 90 104 A M E -JK 41 76C 0 -49,-3.1 -49,-3.2 -2,-0.3 2,-0.3 -1.000 16.5-146.2-144.3 140.8 17.2 28.1 -1.5 91 105 A L E -JK 40 75C 2 -16,-1.2 -16,-1.8 -2,-0.3 2,-0.5 -0.791 7.8-153.1-105.2 148.4 17.2 25.9 1.6 92 106 A L E -JK 39 74C 0 -53,-2.6 -53,-1.2 -2,-0.3 2,-1.0 -0.898 3.4-155.8-126.8 103.0 18.7 22.5 1.8 93 107 A Q E -JK 38 73C 19 -20,-2.4 -21,-1.5 -2,-0.5 -20,-0.9 -0.657 24.4-134.4 -79.3 102.4 17.2 20.1 4.4 94 108 A L E - 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