==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 12-SEP-97 1AU8 . COMPND 2 MOLECULE: CATHEPSIN G; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.J.MEDRANO,W.BODE,A.BANBULA,J.POTEMPA . 225 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 66.7 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 . 75 33.3 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 . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.2 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 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 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 2 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 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 0 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.6 10.6 29.9 -2.6 2 17 A I B +A 175 0A 28 173,-3.1 173,-1.6 1,-0.2 129,-0.1 -0.853 360.0 2.5 -98.9 131.7 9.6 31.6 -5.9 3 18 A G S S+ 0 0 49 -2,-0.4 -1,-0.2 127,-0.4 2,-0.1 0.662 101.9 122.0 71.1 21.2 10.1 29.7 -9.1 4 19 A G - 0 0 21 -3,-0.3 2,-0.3 171,-0.1 138,-0.2 -0.167 56.5-117.9-102.3-166.1 11.4 26.5 -7.6 5 20 A R E -B 141 0B 113 136,-2.3 136,-2.4 -3,-0.1 2,-0.2 -0.879 37.5 -90.4-130.4 154.5 10.5 22.9 -7.5 6 21 A E E -B 140 0B 101 -2,-0.3 134,-0.3 134,-0.2 133,-0.1 -0.583 49.6-119.2 -69.3 132.8 9.5 20.5 -4.6 7 22 A S - 0 0 3 132,-2.3 132,-0.1 -2,-0.2 3,-0.1 -0.355 30.4 -96.6 -68.8 146.8 12.7 18.9 -3.1 8 23 A R > - 0 0 200 1,-0.1 3,-1.8 2,-0.0 4,-0.2 -0.540 61.4 -90.0 -59.8 128.6 13.0 15.2 -3.2 9 24 A P T 3 S- 0 0 66 0, 0.0 -1,-0.1 0, 0.0 48,-0.1 -0.266 102.7 -3.5 -49.9 130.2 11.9 14.2 0.3 10 25 A H T 3 S+ 0 0 53 46,-0.3 47,-0.1 2,-0.1 -2,-0.0 0.624 92.3 122.8 61.8 23.1 14.6 14.1 2.9 11 26 A S S < S+ 0 0 54 -3,-1.8 -1,-0.1 1,-0.3 3,-0.0 0.539 73.7 48.1 -88.6 -8.6 17.4 14.9 0.5 12 27 A R > + 0 0 45 -4,-0.2 3,-1.9 91,-0.1 -1,-0.3 -0.644 69.5 173.7-131.1 73.1 18.5 17.9 2.4 13 28 A P T 3 S+ 0 0 17 0, 0.0 92,-1.0 0, 0.0 42,-0.3 0.447 71.0 65.3 -62.5 -3.8 18.7 16.5 6.0 14 29 A Y T 3 S+ 0 0 22 90,-0.2 19,-2.4 92,-0.1 93,-0.2 0.547 74.4 115.9 -95.3 -8.2 20.2 19.7 7.5 15 30 A M E < -I 32 0C 5 -3,-1.9 40,-0.6 17,-0.2 2,-0.4 -0.339 47.1-165.3 -71.0 136.5 17.1 21.7 6.8 16 31 A A E -IJ 31 54C 0 15,-2.5 15,-1.1 38,-0.1 2,-0.5 -0.949 12.8-149.9-124.4 143.1 15.3 23.1 9.9 17 32 A Y E -IJ 30 53C 41 36,-2.2 36,-2.7 -2,-0.4 2,-0.6 -0.965 17.8-153.2-112.2 126.1 11.9 24.6 10.2 18 33 A L E -IJ 29 52C 0 11,-2.7 11,-1.6 -2,-0.5 2,-0.6 -0.902 11.7-165.0-110.5 122.9 11.5 27.2 13.0 19 34 A Q E -IJ 28 51C 60 32,-2.5 32,-2.8 -2,-0.6 2,-0.6 -0.918 18.9-158.2-101.3 105.5 8.3 28.0 14.8 20 35 A I E -IJ 27 50C 3 7,-2.8 7,-0.6 -2,-0.6 30,-0.2 -0.900 46.3 -27.5-100.1 115.0 8.9 31.3 16.6 21 36 A Q S >>S- 0 0 66 28,-3.5 5,-0.9 -2,-0.6 4,-0.6 0.489 87.2 -38.2 65.3 153.1 6.8 32.3 19.6 22 36AA S T 45S+ 0 0 96 2,-0.1 2,-0.2 3,-0.1 27,-0.0 -0.593 98.6 52.1 -91.4 154.1 3.2 31.3 20.5 23 36BA P T >45S- 0 0 101 0, 0.0 2,-1.7 0, 0.0 3,-1.7 0.561 100.3 -94.5 -71.2 179.2 0.6 30.7 19.4 24 37 A A T 345S+ 0 0 113 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.1 -0.427 119.0 35.7 -63.9 86.4 1.5 28.2 16.6 25 38 A G T 3<5S+ 0 0 72 -2,-1.7 -1,-0.3 -4,-0.6 3,-0.2 0.449 70.4 123.5 141.8 15.8 1.8 30.7 13.8 26 39 A Q S < S- K 0 38C 85 3,-1.2 3,-1.0 70,-0.0 -1,-0.4 -0.942 88.0 -93.9-169.6 160.6 26.3 20.4 14.6 36 49 A E T 3 S+ 0 0 38 -2,-0.3 62,-2.4 1,-0.2 60,-0.1 0.768 127.4 30.2 -63.1 -16.1 24.1 17.9 16.4 37 50 A D T 3 S+ 0 0 29 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.302 112.1 72.4-123.1 7.3 23.3 20.6 19.0 38 51 A F E < -KL 35 93C 5 -3,-1.0 -4,-2.3 55,-0.2 -3,-1.2 -0.986 50.0-170.6-135.4 136.5 23.4 23.8 16.9 39 52 A V E -KL 33 92C 0 53,-2.1 53,-3.0 -2,-0.4 2,-0.4 -0.961 14.4-147.6-121.4 133.6 21.3 25.4 14.2 40 53 A L E +KL 32 91C 0 -8,-2.8 -8,-2.1 -2,-0.4 2,-0.2 -0.878 35.5 138.9-101.7 135.8 22.4 28.4 12.2 41 54 A T E - L 0 90C 0 49,-2.5 49,-2.3 -2,-0.4 2,-0.3 -0.804 53.8 -58.9-155.3-169.9 19.6 30.9 11.0 42 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.2 47,-0.2 -0.688 33.1-137.8 -88.6 140.1 18.9 34.6 10.6 43 56 A A G > S+ 0 0 1 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.792 103.4 65.6 -64.6 -27.2 19.1 36.9 13.7 44 57 A H G 3 S+ 0 0 46 1,-0.3 -1,-0.3 41,-0.1 152,-0.0 0.652 90.5 66.8 -71.1 -11.2 16.0 38.7 12.5 45 58 A a G < S+ 0 0 2 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.266 76.3 137.5 -88.2 6.8 14.2 35.4 13.2 46 59 A W < + 0 0 107 -3,-1.7 2,-0.3 -26,-0.0 -26,-0.1 -0.230 24.6 165.9 -57.2 144.4 14.8 35.8 16.9 47 60 A G - 0 0 4 1,-0.1 3,-0.2 3,-0.0 -2,-0.0 -0.976 48.0-113.7-155.6 161.0 12.0 35.0 19.3 48 61 A S S S+ 0 0 91 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.797 108.4 23.2 -68.7 -31.7 11.5 34.4 23.0 49 63 A N S S- 0 0 78 -3,-0.0 -28,-3.5 2,-0.0 2,-0.4 -0.983 72.5-175.1-139.5 125.1 10.6 30.8 22.4 50 64 A I E -J 20 0C 5 -2,-0.4 21,-2.5 21,-0.4 2,-0.6 -0.982 10.7-160.2-128.6 124.6 11.6 28.8 19.3 51 65 A N E -JM 19 70C 47 -32,-2.8 -32,-2.5 -2,-0.4 2,-0.4 -0.908 15.1-154.2-102.6 115.9 10.6 25.2 18.4 52 66 A V E -JM 18 69C 0 17,-2.6 17,-2.5 -2,-0.6 2,-0.5 -0.773 4.9-161.8 -95.6 130.8 12.9 23.6 15.9 53 67 A T E -JM 17 68C 5 -36,-2.7 -36,-2.2 -2,-0.4 2,-0.3 -0.952 11.2-178.5-114.4 121.6 11.7 20.8 13.6 54 68 A L E +JM 16 67C 0 13,-2.6 13,-2.3 -2,-0.5 -38,-0.1 -0.809 60.1 31.6-113.4 159.7 14.3 18.6 11.9 55 69 A G S S+ 0 0 4 -40,-0.6 10,-0.2 48,-0.3 2,-0.1 0.639 85.2 142.3 71.1 19.2 13.8 15.7 9.5 56 70 A A + 0 0 11 -41,-0.3 -46,-0.3 -3,-0.2 -1,-0.2 -0.468 29.8 163.2 -95.5 156.4 10.7 17.2 7.8 57 71 A H S S+ 0 0 11 1,-0.3 82,-1.2 -2,-0.1 2,-0.7 0.424 85.7 32.0-123.5 -61.7 9.4 17.3 4.3 58 72 A N B > S-O 138 0D 10 80,-0.2 3,-1.2 1,-0.1 -1,-0.3 -0.891 70.1-165.1-100.4 107.5 5.7 18.2 4.8 59 73 A I T 3 S+ 0 0 28 78,-2.5 -1,-0.1 -2,-0.7 79,-0.1 0.582 82.2 65.3 -72.7 -6.0 5.6 20.4 7.9 60 74 A Q T 3 S+ 0 0 129 77,-0.4 2,-0.3 2,-0.0 -1,-0.2 0.266 96.5 67.1 -98.8 13.0 1.8 20.0 8.2 61 75 A R S < S- 0 0 164 -3,-1.2 2,-1.4 76,-0.2 -4,-0.1 -0.954 85.8-114.3-134.4 154.2 2.0 16.3 9.0 62 76 A R - 0 0 258 -2,-0.3 2,-0.3 -6,-0.0 -3,-0.1 -0.683 43.8-176.2 -85.4 88.7 3.3 14.2 11.8 63 77 A E > - 0 0 39 -2,-1.4 3,-1.5 -5,-0.2 -2,-0.0 -0.679 30.4-134.1 -90.2 142.2 6.1 12.4 10.0 64 78 A N T 3 S+ 0 0 165 -2,-0.3 -1,-0.1 1,-0.3 -8,-0.1 0.669 104.3 61.0 -69.1 -15.5 8.1 9.7 11.8 65 79 A T T 3 S+ 0 0 24 -10,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.529 85.9 106.6 -84.5 -7.1 11.4 11.1 10.6 66 80 A Q < - 0 0 27 -3,-1.5 2,-0.4 -13,-0.0 -11,-0.2 -0.452 49.4-167.7 -84.3 146.9 10.7 14.4 12.4 67 81 A Q E -M 54 0C 21 -13,-2.3 -13,-2.6 -2,-0.1 2,-0.5 -0.984 5.4-159.0-135.2 117.7 12.4 15.6 15.5 68 82 A H E +M 53 0C 88 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.887 20.2 162.6-104.0 125.7 11.1 18.5 17.5 69 83 A I E -M 52 0C 2 -17,-2.5 -17,-2.6 -2,-0.5 2,-0.2 -0.994 31.0-130.5-144.4 132.3 13.5 20.2 19.9 70 84 A T E -M 51 0C 62 -2,-0.4 25,-2.4 -19,-0.2 2,-0.4 -0.574 31.1-107.5 -83.7 146.0 13.2 23.6 21.5 71 85 A A E -N 94 0C 19 -21,-2.5 -21,-0.4 -2,-0.2 23,-0.3 -0.603 22.9-163.6 -74.9 127.1 16.1 26.0 21.3 72 86 A R E S+ 0 0 165 21,-3.1 2,-0.3 -2,-0.4 22,-0.2 0.825 78.3 12.6 -78.1 -35.5 17.8 26.3 24.7 73 87 A R E -N 93 0C 124 20,-1.6 20,-2.3 -3,-0.1 2,-0.6 -0.994 59.1-156.6-146.9 141.8 19.5 29.5 23.6 74 88 A A E -N 92 0C 29 -2,-0.3 2,-0.8 18,-0.2 18,-0.2 -0.919 17.6-168.7-122.0 97.2 19.2 31.9 20.7 75 89 A I E -N 91 0C 27 16,-3.0 16,-2.7 -2,-0.6 2,-0.2 -0.809 2.5-164.5 -97.5 103.5 22.5 33.7 20.3 76 90 A R E -N 90 0C 113 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.488 39.3 -89.3 -79.5 151.5 22.2 36.7 17.9 77 91 A H > - 0 0 27 12,-1.9 3,-2.0 10,-0.3 -1,-0.1 -0.399 36.5-126.5 -60.2 135.3 25.4 38.2 16.5 78 92 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.771 109.0 47.3 -59.0 -23.0 26.5 40.9 19.0 79 93 A Q T 3 S+ 0 0 131 8,-0.1 2,-0.2 2,-0.1 7,-0.1 0.150 77.8 143.9-105.1 19.1 26.6 43.5 16.2 80 94 A Y < - 0 0 53 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.436 34.7-159.4 -63.1 123.1 23.2 42.6 14.6 81 95 A N B >> -P 86 0E 58 5,-2.1 4,-1.5 -2,-0.2 5,-1.3 -0.933 10.4-169.9-112.3 107.0 21.6 45.8 13.4 82 96 A Q T 45S+ 0 0 156 -2,-0.6 -1,-0.1 3,-0.2 -2,-0.0 0.706 85.0 55.5 -66.3 -26.3 17.9 45.4 13.0 83 97 A R T 45S+ 0 0 200 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.896 122.2 24.0 -76.5 -45.1 17.6 48.8 11.1 84 98 A T T 45S- 0 0 27 2,-0.1 -2,-0.2 73,-0.0 -1,-0.1 0.502 102.4-127.9 -98.6 -8.9 20.1 48.1 8.3 85 99 A I T <5 + 0 0 15 -4,-1.5 3,-0.4 1,-0.2 2,-0.3 0.870 54.0 157.1 59.2 42.5 19.7 44.3 8.7 86 100 A Q B < +P 81 0E 13 -5,-1.3 -5,-2.1 1,-0.2 -1,-0.2 -0.675 54.8 18.6 -96.6 149.8 23.4 43.9 9.0 87 101 A N S S+ 0 0 12 -2,-0.3 2,-1.9 1,-0.2 -10,-0.3 0.896 76.5 178.9 55.1 45.1 25.1 40.9 10.6 88 102 A D + 0 0 1 -3,-0.4 2,-0.3 -8,-0.1 -1,-0.2 -0.554 32.5 115.1 -80.2 76.3 21.9 38.9 10.2 89 103 A I + 0 0 0 -2,-1.9 -12,-1.9 -47,-0.2 2,-0.3 -0.993 35.7 177.2-147.8 144.0 23.1 35.6 11.7 90 104 A M E -LN 41 76C 0 -49,-2.3 -49,-2.5 -2,-0.3 2,-0.4 -0.991 19.3-141.4-152.9 141.4 22.1 33.7 14.9 91 105 A L E -LN 40 75C 0 -16,-2.7 -16,-3.0 -2,-0.3 2,-0.6 -0.881 12.2-154.8-106.3 134.2 23.1 30.4 16.5 92 106 A L E -LN 39 74C 0 -53,-3.0 -53,-2.1 -2,-0.4 2,-0.7 -0.937 3.4-154.8-112.7 111.9 20.5 28.2 18.2 93 107 A Q E -LN 38 73C 38 -20,-2.3 -21,-3.1 -2,-0.6 -20,-1.6 -0.788 22.4-134.3 -87.4 115.9 21.7 25.9 20.9 94 108 A L E - N 0 71C 6 -57,-2.5 -23,-0.2 -2,-0.7 3,-0.1 -0.384 11.1-125.8 -71.2 147.0 19.3 23.0 21.0 95 109 A S S S+ 0 0 55 -25,-2.4 2,-0.3 1,-0.2 -1,-0.1 0.743 97.3 10.8 -63.5 -24.6 18.0 21.8 24.4 96 110 A R S S- 0 0 140 -26,-0.3 -1,-0.2 -60,-0.1 -24,-0.0 -0.986 90.9 -95.5-154.1 151.3 19.2 18.4 23.4 97 111 A R - 0 0 168 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.307 41.7-110.2 -67.7 150.3 21.3 16.9 20.6 98 112 A V - 0 0 8 -62,-2.4 2,-1.1 -63,-0.1 -1,-0.1 -0.468 27.1-115.1 -77.3 150.5 19.6 15.5 17.5 99 113 A R - 0 0 147 -2,-0.2 5,-0.1 6,-0.0 2,-0.1 -0.825 41.1-132.3 -93.9 101.9 19.7 11.8 17.0 100 114 A R + 0 0 145 -2,-1.1 2,-0.3 3,-0.1 5,-0.2 -0.284 45.0 133.2 -61.2 130.3 21.7 11.7 13.8 101 115 A N B > S-Q 104 0F 23 3,-2.0 3,-1.4 -88,-0.1 -3,-0.0 -0.929 70.8 -68.6-162.9 178.4 20.6 9.6 10.9 102 116 A R T 3 S+ 0 0 179 1,-0.3 3,-0.2 -2,-0.3 -2,-0.0 0.833 132.5 43.8 -50.8 -31.6 20.1 9.6 7.1 103 117 A N T 3 S+ 0 0 34 1,-0.2 2,-0.4 -91,-0.1 -48,-0.3 0.667 118.8 42.2 -91.3 -15.2 17.2 12.1 7.5 104 118 A V B < S+Q 101 0F 0 -3,-1.4 -3,-2.0 -50,-0.1 -1,-0.2 -0.890 73.1 123.8-139.2 105.7 18.9 14.4 10.1 105 119 A N - 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