==== 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 27-AUG-09 3IT5 . COMPND 2 MOLECULE: PROTEASE LASA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.SPENCER,L.M.MURPHY,R.CONNERS,R.B.SESSIONS,S.J.GAMBLIN . 724 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 417 57.6 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 . 240 33.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 52 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 4 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 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 . 8 26 6 9 7 4 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 . 4 0 8 0 0 0 0 4 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 1 A A 0 0 114 0, 0.0 3,-0.1 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 105.2 30.6 -9.2 20.8 2 2 A P - 0 0 13 0, 0.0 136,-0.4 0, 0.0 5,-0.1 -0.120 360.0 -88.9 -60.3 147.4 33.6 -10.9 19.1 3 3 A P >> - 0 0 57 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.338 35.7-126.7 -55.0 134.4 35.2 -14.0 20.6 4 4 A S T 34 S+ 0 0 64 1,-0.3 177,-0.4 2,-0.1 136,-0.1 0.565 108.3 49.2 -63.2 -11.6 37.8 -13.0 23.1 5 5 A N T 34 S+ 0 0 90 175,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.200 92.6 79.9-110.0 10.7 40.4 -15.2 21.4 6 6 A L T <4 S+ 0 0 22 -3,-2.1 50,-0.4 1,-0.1 2,-0.4 0.815 89.1 45.2 -87.4 -34.1 39.8 -13.9 17.9 7 7 A M < - 0 0 2 -4,-0.5 133,-3.2 131,-0.3 174,-0.5 -0.898 48.3-175.9-127.5 142.7 41.7 -10.6 17.8 8 8 A Q - 0 0 1 46,-2.4 172,-0.1 -2,-0.4 132,-0.1 -0.681 51.5 -74.2-111.5 175.3 45.0 -9.0 18.8 9 9 A L - 0 0 0 -2,-0.2 2,-1.5 170,-0.2 87,-0.1 -0.455 50.1-107.7 -70.5 146.6 45.9 -5.3 18.6 10 10 A P S S+ 0 0 0 0, 0.0 42,-0.9 0, 0.0 2,-0.3 -0.110 92.0 73.9 -78.5 40.8 46.7 -4.1 15.0 11 11 A W B S-A 51 0A 0 -2,-1.5 40,-0.2 40,-0.2 3,-0.1 -0.938 96.6 -63.1-139.0 168.6 50.5 -3.8 15.4 12 12 A R > - 0 0 110 38,-0.7 3,-1.5 -2,-0.3 165,-0.3 -0.144 57.2-105.3 -52.9 136.5 53.4 -6.2 15.7 13 13 A Q T 3 S+ 0 0 96 1,-0.2 -1,-0.1 83,-0.1 3,-0.1 -0.351 106.3 31.0 -58.3 138.5 53.4 -8.6 18.6 14 14 A G T 3 S+ 0 0 33 163,-3.0 2,-0.2 1,-0.3 -1,-0.2 0.373 104.3 96.2 91.7 -3.4 56.0 -7.6 21.3 15 15 A Y < - 0 0 136 -3,-1.5 162,-1.7 162,-0.3 2,-0.4 -0.744 62.6-136.8-120.5 164.9 55.6 -3.9 20.5 16 16 A S E +D 176 0B 38 -2,-0.2 2,-0.3 160,-0.2 160,-0.2 -0.981 17.6 177.9-132.1 125.4 53.6 -1.0 22.0 17 17 A W E -D 175 0B 11 158,-1.1 158,-2.3 -2,-0.4 22,-0.3 -0.809 32.0-112.3-117.2 164.7 51.6 1.8 20.4 18 18 A Q E -E 38 0C 48 20,-2.6 20,-1.8 -2,-0.3 2,-0.2 -0.868 31.0-158.6 -99.2 115.2 49.6 4.7 21.9 19 19 A P E -E 37 0C 0 0, 0.0 153,-2.6 0, 0.0 18,-0.3 -0.523 2.7-148.5 -86.8 158.6 45.8 4.4 21.2 20 20 A N - 0 0 11 16,-2.3 132,-0.1 151,-0.2 131,-0.1 -0.590 39.9 -58.6-111.5-177.9 43.3 7.3 21.4 21 21 A G - 0 0 0 130,-0.5 15,-0.4 -2,-0.2 132,-0.2 -0.202 59.9 -95.1 -65.4 149.9 39.6 7.5 22.4 22 22 A A + 0 0 1 130,-0.5 129,-2.5 123,-0.2 130,-0.5 -0.293 53.4 160.4 -62.8 144.7 36.9 5.4 20.6 23 23 A H B -F 34 0C 0 11,-2.6 11,-3.2 127,-0.3 2,-0.1 -0.949 41.8 -85.7-155.8 168.7 35.0 7.2 17.8 24 24 A S > - 0 0 6 5,-0.3 3,-1.4 -2,-0.3 8,-0.1 -0.411 49.7-101.2 -75.2 161.0 32.8 6.5 14.8 25 25 A N T 3 S+ 0 0 56 6,-0.3 -1,-0.1 1,-0.3 7,-0.1 0.832 129.1 41.3 -49.2 -36.9 34.5 5.8 11.4 26 26 A T T 3 S- 0 0 109 88,-0.1 -1,-0.3 0, 0.0 88,-0.0 0.538 113.4-120.8 -88.1 -11.0 33.7 9.4 10.5 27 27 A G S < S+ 0 0 16 -3,-1.4 -2,-0.1 2,-0.1 123,-0.1 0.428 95.8 67.2 81.9 1.6 34.6 10.7 14.0 28 28 A S S S+ 0 0 88 -5,-0.1 122,-0.2 121,-0.0 -1,-0.0 0.803 86.1 45.0-115.3 -55.2 31.1 12.1 14.5 29 29 A G S S- 0 0 35 1,-0.1 -5,-0.3 2,-0.1 -2,-0.1 0.379 80.8 -42.9 -87.4-151.4 28.2 9.7 14.8 30 30 A Y S S+ 0 0 194 2,-0.1 2,-0.1 -7,-0.1 -1,-0.1 -0.984 92.0 46.7-127.6 136.9 27.2 6.4 16.5 31 31 A P S S- 0 0 39 0, 0.0 2,-1.7 0, 0.0 -6,-0.3 0.383 70.4-131.8 -94.4 171.3 28.5 3.7 17.0 32 32 A Y + 0 0 24 1,-0.2 102,-2.1 -8,-0.1 -8,-0.3 -0.585 48.5 151.1 -85.1 79.0 32.0 4.0 18.4 33 33 A S + 0 0 1 -2,-1.7 92,-2.3 100,-0.2 2,-0.3 0.570 48.2 55.8 -87.0 -15.6 33.5 1.5 16.0 34 34 A S E -FG 23 124C 0 -11,-3.2 -11,-2.6 90,-0.2 2,-0.3 -0.841 46.8-176.0-128.6 153.8 37.1 2.8 15.8 35 35 A F E - G 0 123C 0 88,-1.9 88,-1.7 -2,-0.3 2,-0.2 -0.983 22.2-133.0-141.9 150.1 40.2 3.8 17.7 36 36 A D E - G 0 122C 4 -15,-0.4 -16,-2.3 -2,-0.3 2,-0.3 -0.649 20.6-174.3 -97.6 156.9 43.4 5.4 16.5 37 37 A A E +EG 19 121C 1 84,-1.4 84,-2.5 -18,-0.3 2,-0.3 -0.980 9.3 167.8-152.7 139.2 46.9 4.2 17.4 38 38 A S E -E 18 0C 0 -20,-1.8 -20,-2.6 -2,-0.3 82,-0.1 -0.982 37.6-128.3-149.4 142.0 50.4 5.5 16.7 39 39 A Y S S- 0 0 113 -2,-0.3 -1,-0.1 -22,-0.3 9,-0.1 0.951 105.4 -6.7 -51.7 -53.7 53.8 4.6 18.2 40 40 A D S S- 0 0 64 -3,-0.1 -1,-0.2 -23,-0.1 80,-0.1 0.451 84.3-127.0-126.9 -5.2 54.7 8.2 19.0 41 41 A W + 0 0 57 78,-0.1 79,-0.1 -23,-0.1 -3,-0.0 0.948 51.9 169.7 51.2 61.0 51.9 10.5 17.4 42 42 A P - 0 0 31 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.035 35.6 -78.8 -95.1-170.3 54.4 12.7 15.6 43 43 A R > - 0 0 204 1,-0.2 3,-1.0 75,-0.1 75,-0.1 -0.418 60.1 -82.4 -78.8 163.0 54.4 15.4 12.9 44 44 A W T 3 S+ 0 0 57 1,-0.2 61,-0.2 73,-0.2 -1,-0.2 -0.269 116.7 41.8 -59.2 155.4 54.0 14.6 9.2 45 45 A G T 3 S+ 0 0 75 59,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.503 92.1 126.1 78.3 4.6 57.2 13.5 7.4 46 46 A S S < S- 0 0 42 -3,-1.0 -1,-0.3 58,-0.2 2,-0.1 -0.409 71.7 -80.7 -87.2 167.6 58.1 11.4 10.5 47 47 A A - 0 0 63 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.422 48.8-157.3 -65.9 139.4 59.0 7.7 10.6 48 48 A T - 0 0 32 -2,-0.1 2,-0.2 -3,-0.1 56,-0.1 -0.836 2.6-137.0-123.3 164.4 56.1 5.3 10.6 49 49 A Y - 0 0 97 -2,-0.3 53,-1.5 54,-0.1 2,-0.3 -0.609 27.7 -72.9-126.8 173.7 55.5 1.8 11.7 50 50 A S E - B 0 101A 10 51,-0.2 -38,-0.7 -2,-0.2 2,-0.5 -0.475 30.3-158.8 -79.2 126.2 54.0 -1.6 10.8 51 51 A V E -AB 11 100A 0 49,-1.2 48,-2.9 -2,-0.3 49,-1.2 -0.880 18.5-170.0 -94.5 129.1 50.2 -2.2 10.8 52 52 A V E - B 0 98A 1 -42,-0.9 46,-0.2 -2,-0.5 2,-0.1 -0.839 32.1 -85.3-118.9 158.2 49.3 -5.9 11.1 53 53 A A - 0 0 0 44,-2.1 43,-2.8 41,-0.3 44,-0.2 -0.377 27.0-149.4 -58.9 130.4 46.1 -7.9 10.8 54 54 A A S S- 0 0 0 41,-0.2 -46,-2.4 -44,-0.1 2,-0.3 0.667 76.8 -0.7 -75.2 -16.9 44.2 -8.0 14.0 55 55 A H S S- 0 0 2 -48,-0.2 2,-0.1 39,-0.2 42,-0.1 -0.966 86.9 -73.6-160.2 169.9 42.9 -11.5 13.1 56 56 A A S S+ 0 0 41 -50,-0.4 2,-0.3 -2,-0.3 38,-0.2 -0.452 74.3 88.2 -67.6 144.7 42.7 -14.3 10.5 57 57 A G E S-H 93 0C 7 36,-2.1 36,-2.6 14,-0.1 2,-0.4 -0.981 71.7 -42.1 157.4-163.2 40.7 -13.7 7.4 58 58 A T E -HI 92 70C 47 12,-3.0 12,-2.6 -2,-0.3 2,-0.3 -0.826 45.9-133.0-105.9 135.0 40.6 -12.3 3.8 59 59 A V E - I 0 69C 3 32,-2.2 31,-2.3 -2,-0.4 2,-0.4 -0.608 16.0-173.2 -84.3 136.9 42.2 -9.1 2.6 60 60 A R E - I 0 68C 134 8,-2.0 8,-1.9 -2,-0.3 2,-1.1 -0.982 13.2-154.3-121.5 119.3 40.5 -6.5 0.4 61 61 A V E + I 0 67C 34 -2,-0.4 6,-0.2 6,-0.2 28,-0.1 -0.815 17.8 175.9 -89.3 98.4 42.8 -3.7 -0.8 62 62 A L E - 0 0 58 4,-1.1 2,-0.3 -2,-1.1 -1,-0.2 0.779 64.5 -27.5 -73.4 -29.9 40.2 -1.0 -1.3 63 63 A S E > S- I 0 66C 26 3,-1.5 3,-1.4 -3,-0.1 -1,-0.2 -0.954 78.2 -75.8-170.3 175.4 42.9 1.6 -2.2 64 64 A R T 3 S+ 0 0 143 -2,-0.3 21,-0.4 1,-0.3 20,-0.1 0.650 132.2 35.4 -57.6 -16.3 46.5 2.5 -1.7 65 65 A a T 3 S+ 0 0 0 1,-0.1 17,-2.4 18,-0.1 16,-0.7 0.239 110.6 64.2-126.7 12.0 45.5 3.8 1.8 66 66 A Q E < +IJ 63 80C 24 -3,-1.4 -3,-1.5 14,-0.2 -4,-1.1 -0.991 48.0 172.7-147.3 137.4 42.8 1.4 3.0 67 67 A V E -IJ 61 79C 0 12,-2.2 12,-2.6 -2,-0.3 2,-0.4 -0.981 11.4-161.0-140.1 143.6 42.6 -2.4 3.8 68 68 A R E -IJ 60 78C 55 -8,-1.9 -8,-2.0 -2,-0.3 2,-0.5 -0.989 5.4-157.0-125.7 137.9 39.9 -4.6 5.3 69 69 A V E -IJ 59 77C 0 8,-2.5 8,-2.4 -2,-0.4 2,-0.5 -0.974 15.3-164.6-114.5 120.4 40.4 -8.1 6.8 70 70 A T E -IJ 58 76C 56 -12,-2.6 -12,-3.0 -2,-0.5 6,-0.2 -0.923 5.0-154.5-117.4 118.4 37.3 -10.2 6.8 71 71 A H > - 0 0 43 4,-2.6 3,-1.9 -2,-0.5 -14,-0.1 -0.479 31.2-114.4 -81.7 153.2 36.9 -13.4 8.9 72 72 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -15,-0.1 0.736 114.9 69.2 -58.8 -20.8 34.5 -16.2 7.9 73 73 A S T 3 S- 0 0 62 2,-0.2 3,-0.1 1,-0.1 -3,-0.0 0.680 117.0-112.5 -65.6 -19.0 32.5 -15.3 11.0 74 74 A G S < S+ 0 0 9 -3,-1.9 54,-1.0 1,-0.5 55,-0.5 -0.184 80.2 129.2 103.7 -36.9 31.5 -12.0 9.4 75 75 A W E + K 0 127C 28 52,-0.2 -4,-2.6 53,-0.1 -1,-0.5 -0.252 36.8 174.4 -50.1 130.3 33.6 -10.2 12.0 76 76 A A E -JK 70 126C 2 50,-2.3 50,-3.5 -6,-0.2 2,-0.4 -0.960 26.1-143.5-143.4 157.9 35.9 -7.8 10.2 77 77 A T E -JK 69 125C 0 -8,-2.4 -8,-2.5 -2,-0.3 2,-0.3 -0.978 12.0-149.8-125.9 139.9 38.5 -5.1 10.8 78 78 A N E -JK 68 124C 0 46,-2.9 46,-2.1 -2,-0.4 2,-0.4 -0.853 5.6-164.3-108.3 146.7 39.1 -1.9 8.8 79 79 A Y E +JK 67 123C 0 -12,-2.6 -12,-2.2 -2,-0.3 2,-0.3 -0.963 13.7 174.2-134.8 110.6 42.4 -0.1 8.4 80 80 A Y E +JK 66 122C 22 42,-2.9 42,-1.6 -2,-0.4 -14,-0.2 -0.751 58.1 44.2-118.8 166.8 42.6 3.4 7.1 81 81 A H S S+ 0 0 12 -16,-0.7 22,-2.2 28,-0.3 39,-0.2 0.879 84.1 156.6 62.2 42.0 45.4 6.0 6.7 82 82 A M E -C 102 0A 0 -17,-2.4 2,-0.3 20,-0.3 20,-0.2 -0.494 22.1-178.8 -93.3 163.7 47.5 3.1 5.3 83 83 A D E +C 101 0A 25 18,-2.3 18,-2.4 -2,-0.2 3,-0.2 -0.965 58.7 26.8-153.4 160.6 50.6 3.2 3.0 84 84 A Q S S- 0 0 132 -2,-0.3 2,-0.2 16,-0.2 -1,-0.1 0.879 75.9-156.9 52.5 47.7 53.0 0.8 1.3 85 85 A I - 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