==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-APR-04 1T32 . COMPND 2 MOLECULE: CATHEPSIN G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.DE GARAVILLA,M.N.GRECO,E.C.GIARDINO,G.I.WELLS, . 224 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 63.4 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 . 74 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 1 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 . 5 2 1 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 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 16 A I 0 0 1 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 120.8 10.6 60.3 -3.0 2 17 A I B +A 175 0A 13 173,-2.9 173,-1.7 1,-0.2 129,-0.1 -0.836 360.0 2.4 -98.6 130.8 9.4 61.9 -6.3 3 18 A G S S+ 0 0 36 -2,-0.5 -1,-0.2 127,-0.4 2,-0.1 0.711 104.1 121.5 71.4 22.1 9.8 60.0 -9.5 4 19 A G - 0 0 19 -3,-0.4 2,-0.3 138,-0.1 138,-0.2 -0.201 57.5-110.3-104.0-163.3 11.2 56.9 -7.9 5 20 A R E -B 141 0B 102 136,-2.8 136,-2.5 -3,-0.1 2,-0.2 -0.871 37.0 -93.8-127.5 156.9 10.5 53.2 -7.6 6 21 A E E -B 140 0B 105 -2,-0.3 134,-0.3 134,-0.2 2,-0.1 -0.547 50.7-117.4 -70.0 137.7 9.3 51.0 -4.8 7 22 A S - 0 0 3 132,-2.7 132,-0.1 -2,-0.2 3,-0.1 -0.446 28.3 -99.7 -75.8 150.1 12.5 49.5 -3.2 8 23 A R > - 0 0 201 1,-0.1 3,-2.0 -2,-0.1 4,-0.2 -0.569 60.5 -90.6 -66.3 130.5 13.0 45.8 -3.2 9 24 A P T 3 S- 0 0 63 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.147 104.0 -2.0 -49.1 129.9 11.9 44.8 0.4 10 25 A H T 3 S+ 0 0 54 46,-0.3 47,-0.1 2,-0.1 -2,-0.1 0.660 89.6 126.9 62.6 21.1 14.7 44.9 2.9 11 26 A S S < S+ 0 0 54 -3,-2.0 -1,-0.1 1,-0.3 3,-0.0 0.590 77.6 43.5 -81.5 -10.5 17.3 45.8 0.3 12 27 A R S > S+ 0 0 43 -4,-0.2 3,-2.3 91,-0.1 -1,-0.3 -0.612 70.5 173.6-133.4 70.4 18.4 48.8 2.5 13 28 A P T 3 S+ 0 0 20 0, 0.0 92,-1.1 0, 0.0 42,-0.3 0.492 72.4 66.3 -57.9 -7.5 18.4 47.2 6.0 14 29 A Y T 3 S+ 0 0 22 90,-0.2 19,-2.7 92,-0.1 93,-0.2 0.562 74.0 119.0 -91.3 -10.8 19.9 50.4 7.6 15 30 A M E < -I 32 0C 4 -3,-2.3 40,-0.6 17,-0.2 2,-0.4 -0.315 44.8-166.7 -62.4 134.7 16.8 52.4 6.9 16 31 A A E -IJ 31 54C 0 15,-2.5 15,-1.1 38,-0.1 2,-0.5 -0.970 11.8-149.2-125.0 138.5 15.0 53.8 9.9 17 32 A Y E -IJ 30 53C 10 36,-2.3 36,-2.1 -2,-0.4 2,-0.4 -0.932 18.3-157.0-107.5 125.4 11.5 55.3 10.0 18 33 A L E -IJ 29 52C 0 11,-3.1 11,-2.1 -2,-0.5 2,-0.5 -0.877 14.5-168.2-110.4 137.1 11.0 58.1 12.6 19 34 A Q E -IJ 28 51C 58 32,-1.9 32,-2.3 -2,-0.4 2,-0.5 -0.973 18.2-156.2-120.1 110.2 7.8 59.3 14.3 20 35 A I E + J 0 50C 4 7,-2.5 30,-0.2 -2,-0.5 6,-0.1 -0.798 64.1 17.0 -96.3 128.3 8.5 62.5 16.1 21 36 A Q S S- 0 0 55 28,-3.8 5,-0.4 -2,-0.5 6,-0.2 0.879 91.9-103.8 77.1 98.7 6.2 63.6 19.1 22 36AA S S S+ 0 0 88 4,-0.1 4,-0.1 -3,-0.1 3,-0.1 0.634 91.9 106.4 -13.4 -61.0 4.2 60.6 20.4 23 36BA P S > S- 0 0 79 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.016 85.3-112.9 -35.4 109.7 1.0 61.7 18.7 24 37 A A T 3 S+ 0 0 97 1,-0.3 -2,-0.1 2,-0.1 -3,-0.0 -0.289 102.0 14.1 -52.8 115.6 0.6 59.3 15.8 25 38 A G T 3 S+ 0 0 80 2,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.733 88.7 121.4 88.3 24.6 1.0 61.3 12.6 26 39 A Q S < S- 0 0 102 -3,-1.8 2,-0.2 -5,-0.4 -2,-0.1 0.764 86.1 -13.8 -88.1 -28.5 2.4 64.4 14.4 27 40 A S - 0 0 51 -4,-0.3 -7,-2.5 -6,-0.2 2,-0.4 -0.794 61.1-156.1-176.4 131.4 5.7 64.3 12.3 28 41 A R E +I 19 0C 78 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.2 -0.934 19.2 158.4-120.2 136.9 7.5 61.9 10.0 29 42 A a E -I 18 0C 6 -11,-2.1 -11,-3.1 -2,-0.4 153,-0.2 -0.942 28.5-127.2-146.5 166.3 11.2 61.6 9.1 30 43 A G E +I 17 0C 1 151,-3.8 12,-0.4 -2,-0.3 2,-0.3 -0.543 29.6 159.6-106.7 177.5 13.8 59.1 7.8 31 44 A G E -I 16 0C 0 -15,-1.1 -15,-2.5 -2,-0.2 2,-0.3 -0.957 26.1-122.9-178.4 178.6 17.1 58.1 9.2 32 45 A F E -IK 15 40C 0 8,-2.3 8,-3.3 -2,-0.3 2,-0.3 -0.989 21.4-112.8-150.4 140.1 19.7 55.3 9.0 33 46 A L E + K 0 39C 0 -19,-2.7 74,-1.9 -2,-0.3 6,-0.3 -0.503 30.8 170.0 -69.6 127.6 21.5 53.0 11.4 34 47 A V E S+ 0 0 19 4,-2.5 2,-0.3 1,-0.5 5,-0.2 0.519 73.9 2.4-112.0 -15.5 25.2 53.7 11.8 35 48 A R E > S- K 0 38C 79 3,-1.5 3,-1.3 70,-0.1 -1,-0.5 -0.946 87.8 -92.7-160.4 162.5 25.8 51.3 14.7 36 49 A E T 3 S+ 0 0 34 -2,-0.3 62,-2.2 1,-0.3 60,-0.1 0.688 128.0 34.3 -58.5 -15.0 23.6 48.9 16.7 37 50 A D T 3 S+ 0 0 22 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.378 112.3 65.6-120.1 1.6 22.8 51.7 19.1 38 51 A F E < -KL 35 93C 1 -3,-1.3 -4,-2.5 55,-0.2 -3,-1.5 -0.986 50.2-169.4-134.8 139.8 22.8 54.8 16.9 39 52 A V E -KL 33 92C 0 53,-2.1 53,-2.8 -2,-0.4 2,-0.4 -0.977 17.3-144.0-122.7 132.8 20.7 56.2 14.1 40 53 A L E +KL 32 91C 0 -8,-3.3 -8,-2.3 -2,-0.4 2,-0.2 -0.778 36.7 137.4 -97.5 141.9 21.8 59.2 12.0 41 54 A T E - L 0 90C 0 49,-2.3 49,-2.5 -2,-0.4 2,-0.3 -0.853 52.3 -58.7-159.5-166.2 19.2 61.7 10.8 42 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.2 -0.735 31.6-138.0 -95.9 141.0 18.4 65.4 10.4 43 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.754 101.2 67.0 -66.7 -26.1 18.4 67.9 13.3 44 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.596 92.3 64.9 -72.0 -4.5 15.3 69.6 12.0 45 58 A a G < S+ 0 0 2 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.368 77.0 134.7 -93.8 2.6 13.5 66.3 12.8 46 59 A W < + 0 0 104 -3,-1.8 2,-0.3 -26,-0.1 -26,-0.1 -0.148 23.5 159.7 -55.0 144.6 14.2 66.8 16.5 47 60 A G - 0 0 2 1,-0.0 3,-0.2 3,-0.0 -2,-0.0 -0.964 51.3-114.2-159.0 161.3 11.5 66.2 19.0 48 61 A S S S+ 0 0 101 -2,-0.3 2,-0.4 1,-0.2 -2,-0.0 0.684 108.9 39.0 -75.5 -17.8 11.2 65.4 22.7 49 63 A N + 0 0 65 2,-0.0 -28,-3.8 21,-0.0 2,-0.5 -0.938 69.2 174.8-137.8 113.7 9.7 62.0 21.8 50 64 A I E -J 20 0C 3 -2,-0.4 21,-3.0 21,-0.3 2,-0.5 -0.967 12.1-163.8-126.6 120.7 11.0 59.9 18.9 51 65 A N E -JM 19 70C 59 -32,-2.3 -32,-1.9 -2,-0.5 2,-0.4 -0.874 14.4-155.2-101.3 125.0 9.9 56.3 18.1 52 66 A V E -JM 18 69C 0 17,-3.2 17,-2.6 -2,-0.5 2,-0.5 -0.855 8.6-165.4-108.2 136.3 12.2 54.4 15.8 53 67 A T E -JM 17 68C 4 -36,-2.1 -36,-2.3 -2,-0.4 2,-0.3 -0.978 10.9-178.3-120.6 120.0 11.2 51.6 13.5 54 68 A L E +JM 16 67C 0 13,-2.6 13,-1.8 -2,-0.5 -38,-0.1 -0.736 60.5 32.4-110.6 163.4 13.9 49.4 11.9 55 69 A G S S+ 0 0 4 -40,-0.6 2,-0.2 48,-0.4 -1,-0.2 0.681 86.6 140.0 67.1 23.1 13.6 46.5 9.5 56 70 A A + 0 0 8 -41,-0.4 -46,-0.3 -3,-0.2 -1,-0.2 -0.586 35.0 167.3-102.3 159.9 10.5 47.8 7.8 57 71 A H S S+ 0 0 15 1,-0.3 82,-1.3 -2,-0.2 2,-0.8 0.485 88.4 35.3-123.9 -57.7 9.2 47.9 4.3 58 72 A N B > -O 138 0D 36 80,-0.2 3,-1.3 1,-0.1 5,-0.3 -0.881 69.7-168.4-101.4 107.6 5.6 48.9 5.0 59 73 A I T 3 S+ 0 0 17 78,-2.2 -1,-0.1 -2,-0.8 79,-0.1 0.445 81.4 65.6 -77.9 3.1 5.6 51.2 8.0 60 74 A Q T 3 S+ 0 0 106 77,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.194 96.3 66.5-105.8 13.2 1.9 51.1 8.4 61 75 A R S < S- 0 0 169 -3,-1.3 2,-1.9 76,-0.2 -4,-0.1 -0.988 85.1-123.4-132.6 141.4 2.0 47.3 9.3 62 76 A R - 0 0 230 -2,-0.3 -3,-0.1 -6,-0.1 2,-0.0 -0.589 45.3-167.0 -84.2 79.5 3.5 45.7 12.4 63 77 A E > - 0 0 42 -2,-1.9 3,-1.2 -5,-0.3 -7,-0.0 -0.297 30.3-122.6 -69.1 151.8 5.8 43.4 10.3 64 78 A N T 3 S+ 0 0 157 1,-0.2 -1,-0.1 3,-0.0 -8,-0.1 0.762 111.3 57.3 -64.3 -26.9 7.6 40.4 11.7 65 79 A T T 3 S+ 0 0 21 -10,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.588 87.5 105.4 -80.7 -13.4 11.0 41.9 10.6 66 80 A Q < - 0 0 18 -3,-1.2 2,-0.4 -13,-0.0 -11,-0.2 -0.344 49.9-164.1 -75.2 151.0 10.5 45.2 12.5 67 81 A Q E -M 54 0C 7 -13,-1.8 -13,-2.6 -2,-0.1 2,-0.6 -0.996 11.6-153.0-132.2 123.8 12.2 46.2 15.7 68 82 A H E +M 53 0C 79 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.901 23.8 160.9-106.5 120.4 10.7 49.1 17.6 69 83 A I E -M 52 0C 1 -17,-2.6 -17,-3.2 -2,-0.6 2,-0.2 -0.994 29.7-133.7-140.0 142.4 13.0 51.3 19.7 70 84 A T E -M 51 0C 66 -2,-0.3 25,-2.8 -19,-0.2 2,-0.6 -0.649 33.0-102.4 -94.6 153.8 12.6 54.8 21.2 71 85 A A E -N 94 0C 21 -21,-3.0 -21,-0.3 -2,-0.2 23,-0.3 -0.648 28.0-169.7 -76.9 116.2 15.3 57.4 21.1 72 86 A R E S+ 0 0 174 21,-2.5 2,-0.3 -2,-0.6 22,-0.2 0.850 80.9 13.4 -71.9 -35.7 17.0 57.5 24.5 73 87 A R E -N 93 0C 130 20,-1.6 20,-2.3 -3,-0.1 2,-0.7 -0.994 61.8-159.8-144.0 134.7 18.8 60.6 23.4 74 88 A A E -N 92 0C 28 -2,-0.3 2,-0.9 18,-0.2 18,-0.2 -0.889 20.3-166.4-115.8 94.9 18.2 62.9 20.4 75 89 A I E -N 91 0C 25 16,-2.9 16,-2.2 -2,-0.7 2,-0.1 -0.745 2.0-160.2 -92.4 100.8 21.5 64.8 20.0 76 90 A R E -N 90 0C 118 -2,-0.9 14,-0.2 14,-0.2 12,-0.1 -0.467 36.9 -93.0 -74.4 147.6 21.3 67.8 17.7 77 91 A H > - 0 0 18 12,-1.9 3,-2.3 10,-0.3 -1,-0.1 -0.375 36.8-121.4 -60.1 136.3 24.6 69.1 16.2 78 92 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 111.0 41.8 -52.6 -29.8 25.9 71.8 18.6 79 93 A Q T 3 S+ 0 0 118 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.115 79.4 142.5-105.9 22.5 25.8 74.4 15.8 80 94 A Y < - 0 0 46 -3,-2.3 2,-0.6 9,-0.1 7,-0.2 -0.462 33.1-163.4 -64.7 128.6 22.5 73.4 14.2 81 95 A N B >> -P 86 0E 56 5,-2.1 4,-2.1 -2,-0.2 5,-0.9 -0.928 11.1-169.9-118.9 104.2 20.8 76.6 13.1 82 96 A Q T 45S+ 0 0 153 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.751 86.0 57.0 -66.6 -23.0 17.1 76.0 12.4 83 97 A R T 45S+ 0 0 194 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.925 123.1 22.3 -73.5 -44.7 16.7 79.4 10.8 84 98 A T T 45S- 0 0 24 -3,-0.1 74,-0.2 2,-0.1 -2,-0.2 0.537 100.8-130.2 -97.2 -10.9 19.4 78.9 8.1 85 99 A I T ><5 + 0 0 42 -4,-2.1 3,-0.5 1,-0.2 2,-0.2 0.779 52.5 155.3 63.6 30.7 19.1 75.1 8.3 86 100 A Q B 3 < +P 81 0E 22 -5,-0.9 -5,-2.1 1,-0.2 -1,-0.2 -0.607 58.9 17.9 -86.6 150.2 22.9 74.8 8.6 87 101 A N T 3 S- 0 0 15 -2,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.905 77.0-179.5 55.9 45.5 24.5 71.8 10.3 88 102 A D < + 0 0 0 -3,-0.5 2,-0.3 -8,-0.1 -1,-0.2 -0.527 34.5 114.7 -78.9 79.1 21.3 69.8 9.8 89 103 A I + 0 0 0 -2,-2.0 -12,-1.9 -47,-0.2 2,-0.3 -0.992 36.2 177.2-152.8 140.8 22.4 66.6 11.5 90 104 A M E -LN 41 76C 0 -49,-2.5 -49,-2.3 -2,-0.3 2,-0.4 -0.999 18.8-142.8-148.4 143.1 21.5 64.6 14.6 91 105 A L E -LN 40 75C 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.6 -0.912 11.9-155.9-108.7 133.2 22.4 61.4 16.3 92 106 A L E -LN 39 74C 0 -53,-2.8 -53,-2.1 -2,-0.4 2,-0.6 -0.940 4.5-153.6-110.7 117.2 19.8 59.3 18.0 93 107 A Q E -LN 38 73C 31 -20,-2.3 -21,-2.5 -2,-0.6 -20,-1.6 -0.804 25.9-129.0 -86.6 124.8 21.0 56.9 20.7 94 108 A L E - 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