==== 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 SERINE PROTEASE 01-SEP-95 1SVN . COMPND 2 MOLECULE: SAVINASE (TM); . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LENTUS; . AUTHOR C.BETZEL,S.KLUPSCH,G.PAPENDORF,S.HASTRUP,S.BRANNER, . 269 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9366.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 190 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 1.1 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-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 . 21 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 2 1 0 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 2 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 0 122 0, 0.0 77,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.3 9.0 32.9 -10.4 2 2 A Q - 0 0 45 75,-0.2 2,-0.3 73,-0.2 77,-0.2 -0.724 360.0-152.5 -89.1 143.0 9.7 29.9 -8.3 3 3 A S - 0 0 65 75,-2.9 74,-0.1 -2,-0.3 77,-0.0 -0.801 10.2-137.6-110.7 151.7 13.2 29.2 -6.9 4 4 A V - 0 0 65 -2,-0.3 75,-0.1 75,-0.2 77,-0.1 -0.967 26.1-128.8-110.1 110.5 14.6 25.8 -6.1 5 5 A P >> - 0 0 14 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.279 22.2-114.7 -57.3 149.0 16.5 26.0 -2.8 6 6 A W H 3> S+ 0 0 46 1,-0.3 4,-2.8 192,-0.2 5,-0.1 0.827 114.2 56.8 -56.0 -37.9 20.0 24.6 -3.1 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.829 102.0 56.1 -60.5 -33.7 19.2 21.7 -0.7 8 8 A I H <4>S+ 0 0 3 -3,-1.0 5,-2.0 2,-0.2 4,-0.2 0.937 112.4 41.9 -64.8 -42.0 16.3 20.6 -2.9 9 9 A S H ><5S+ 0 0 63 -4,-1.6 3,-1.5 3,-0.2 -2,-0.2 0.911 110.6 58.6 -69.8 -38.8 18.6 20.3 -5.8 10 10 A R H 3<5S+ 0 0 78 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.872 106.4 45.6 -60.0 -38.3 21.3 18.7 -3.7 11 11 A V T 3<5S- 0 0 0 -4,-2.3 253,-3.0 -5,-0.1 254,-0.5 0.513 113.9-123.7 -82.2 -0.5 19.1 15.8 -2.6 12 12 A Q T <>5 + 0 0 74 -3,-1.5 4,-0.9 -4,-0.2 3,-0.4 0.824 57.7 152.1 65.6 34.7 18.1 15.5 -6.3 13 13 A A H >>< + 0 0 0 -5,-2.0 4,-2.1 1,-0.2 3,-0.8 0.893 66.3 62.3 -61.3 -43.6 14.3 15.9 -5.7 14 14 A P H 3> S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.799 97.8 57.8 -56.5 -35.3 13.8 17.4 -9.2 15 15 A A H 3> S+ 0 0 32 -3,-0.4 4,-1.0 1,-0.2 -2,-0.2 0.829 109.7 43.7 -62.0 -36.2 15.0 14.1 -10.8 16 16 A A H X<>S+ 0 0 0 -4,-0.9 5,-2.1 -3,-0.8 3,-0.5 0.931 112.7 52.1 -74.1 -40.9 12.3 12.3 -8.9 17 17 A H H ><5S+ 0 0 29 -4,-2.1 3,-1.6 1,-0.3 -2,-0.2 0.838 104.9 57.1 -58.9 -41.3 9.7 15.0 -9.8 18 18 A N H 3<5S+ 0 0 146 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.850 105.0 51.5 -62.1 -33.2 10.8 14.6 -13.5 19 19 A R T <<5S- 0 0 108 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.436 128.5 -97.3 -80.9 -3.3 9.8 10.8 -13.2 20 20 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.6 1,-0.3 -3,-0.2 0.595 82.7 130.3 97.5 12.6 6.4 11.7 -11.8 21 21 A L < + 0 0 15 -5,-2.1 -1,-0.3 -8,-0.1 -2,-0.2 -0.914 8.6 143.9-107.1 115.2 7.1 11.2 -8.1 22 22 A T S S- 0 0 29 -2,-0.6 63,-2.8 61,-0.1 64,-0.5 0.282 74.4 -94.2-131.3 6.3 6.0 14.1 -5.9 23 23 A G > + 0 0 0 1,-0.2 3,-2.2 203,-0.2 64,-0.4 0.583 60.1 174.5 88.4 11.6 4.7 12.4 -2.8 24 24 A S T 3 + 0 0 66 1,-0.3 -1,-0.2 62,-0.1 62,-0.2 -0.301 68.1 12.3 -55.7 132.7 1.1 12.3 -3.9 25 25 A G T 3 S+ 0 0 49 60,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.535 94.4 122.4 78.0 7.9 -1.0 10.3 -1.4 26 26 A V < - 0 0 4 -3,-2.2 61,-3.3 59,-0.2 2,-0.6 -0.911 53.7-143.3-107.4 134.0 1.6 10.3 1.4 27 27 A K E -a 87 0A 53 -2,-0.5 91,-2.4 89,-0.2 92,-1.5 -0.834 17.3-171.4 -98.8 121.5 0.5 11.7 4.7 28 28 A V E -ab 88 119A 0 59,-3.0 61,-2.6 -2,-0.6 2,-0.4 -0.957 10.7-154.1-122.1 119.0 3.2 13.6 6.5 29 29 A A E -ab 89 120A 0 90,-2.8 92,-3.3 -2,-0.5 2,-0.8 -0.745 5.3-155.6 -89.0 124.9 2.9 14.8 10.1 30 30 A V E -ab 90 121A 1 59,-2.8 61,-2.4 -2,-0.4 2,-0.9 -0.939 6.3-160.6-102.3 101.8 5.1 17.8 11.0 31 31 A L E +ab 91 122A 0 90,-2.8 92,-0.6 -2,-0.8 2,-0.2 -0.848 52.7 92.9 -87.4 100.5 5.5 17.7 14.8 32 32 A D E S-a 92 0A 0 59,-1.7 61,-2.4 -2,-0.9 62,-1.9 -0.700 92.6 -42.5-162.0-153.4 6.5 21.2 15.4 33 33 A T S S- 0 0 0 1,-0.3 26,-0.9 -2,-0.2 27,-0.3 0.252 94.7 -89.8 -83.1 13.9 5.5 24.8 16.2 34 34 A G - 0 0 1 57,-0.3 2,-0.3 -4,-0.2 -1,-0.3 -0.511 39.9 -99.9 105.8-178.6 2.5 24.5 13.9 35 35 A I - 0 0 3 21,-2.3 2,-0.2 -2,-0.2 55,-0.1 -0.948 29.8-140.1-139.7 131.7 2.3 25.4 10.2 36 37 A S - 0 0 5 -2,-0.3 21,-0.1 21,-0.2 -2,-0.0 -0.582 29.0-102.0 -91.6 139.7 0.8 28.7 9.0 37 38 A T + 0 0 121 -2,-0.2 169,-0.4 2,-0.0 168,-0.3 -0.340 53.9 169.8 -55.6 147.1 -1.4 28.9 5.9 38 39 A H > - 0 0 13 3,-0.4 3,-1.9 167,-0.1 5,-0.1 -0.987 48.0-111.2-160.9 149.8 0.8 30.3 3.1 39 40 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 38,-0.1 0.750 117.0 49.0 -58.0 -28.6 0.4 30.8 -0.6 40 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.8 35,-0.0 2,-0.3 0.261 104.2 69.7-102.5 21.6 3.1 28.1 -1.2 41 42 A L < - 0 0 14 -3,-1.9 2,-0.5 31,-0.2 -3,-0.4 -0.950 57.7-155.4-137.2 153.3 1.8 25.4 1.1 42 43 A N - 0 0 94 -2,-0.3 46,-0.8 29,-0.3 2,-0.6 -0.980 17.4-165.9-120.4 110.6 -1.2 23.1 1.1 43 44 A I E -c 88 0A 41 -2,-0.5 46,-0.2 1,-0.1 3,-0.1 -0.895 7.5-170.1-105.6 124.1 -2.1 22.0 4.7 44 45 A R E - 0 0 111 44,-2.8 2,-0.3 -2,-0.6 45,-0.2 0.693 54.2 -68.1 -81.5 -22.6 -4.4 19.1 5.0 45 46 A G E +c 89 0A 28 43,-1.0 45,-3.1 2,-0.0 2,-0.3 -0.968 52.3 168.9 165.5-155.8 -5.2 19.2 8.7 46 47 A G E -c 90 0A 31 43,-0.3 2,-0.3 -2,-0.3 45,-0.2 -0.869 24.3-117.1 142.8-172.1 -3.6 18.6 12.1 47 48 A A E -c 91 0A 20 43,-1.6 45,-2.4 -2,-0.3 2,-0.4 -0.954 18.6-123.6-156.9 161.1 -4.2 19.1 15.8 48 49 A S E +c 92 0A 29 6,-0.3 45,-0.2 -2,-0.3 8,-0.1 -0.949 21.0 175.7-116.5 131.2 -2.5 21.0 18.6 49 50 A F + 0 0 47 43,-3.2 58,-0.1 -2,-0.4 44,-0.1 -0.012 52.0 110.7-114.6 24.4 -1.2 19.4 21.8 50 51 A V B > S-J 53 0B 19 3,-0.5 3,-2.1 42,-0.1 44,-0.1 -0.885 71.3-126.8-105.5 117.6 0.2 22.7 23.1 51 52 A P T 3 S+ 0 0 114 0, 0.0 -2,-0.1 0, 0.0 53,-0.0 -0.387 96.1 16.8 -63.2 133.7 -1.7 24.1 26.1 52 53 A G T 3 S+ 0 0 82 -2,-0.1 43,-0.0 43,-0.0 0, 0.0 0.444 113.6 79.8 85.2 -3.1 -2.7 27.7 25.5 53 54 A E B < +J 50 0B 44 -3,-2.1 -3,-0.5 1,-0.1 39,-0.1 -0.676 50.8 163.5-138.1 76.0 -2.1 27.3 21.7 54 55 A P + 0 0 119 0, 0.0 -6,-0.3 0, 0.0 2,-0.2 0.672 51.9 75.2 -69.7 -25.3 -5.2 25.5 20.4 55 56 A S S S- 0 0 58 1,-0.1 -5,-0.1 -8,-0.1 -8,-0.1 -0.475 78.8-130.3 -86.8 164.0 -4.9 26.3 16.7 56 57 A T + 0 0 44 -2,-0.2 -21,-2.3 -8,-0.1 -1,-0.1 0.577 69.9 121.2 -98.1 8.1 -2.4 24.7 14.4 57 59 A Q - 0 0 120 -23,-0.2 2,-0.7 1,-0.1 -21,-0.2 -0.196 69.3-114.9 -64.0 142.3 -1.2 28.1 13.2 58 60 A D + 0 0 7 -24,-0.2 -24,-0.2 1,-0.1 -1,-0.1 -0.781 30.7 179.8 -94.3 115.8 2.5 28.7 13.7 59 61 A G S S+ 0 0 58 -26,-0.9 -1,-0.1 -2,-0.7 -25,-0.1 0.545 83.4 40.8 -91.9 -1.4 3.4 31.5 16.1 60 62 A N S S- 0 0 53 -27,-0.3 36,-0.1 35,-0.0 -2,-0.1 0.752 93.7-128.3-110.2 -59.2 7.1 31.0 15.7 61 63 A G S > S+ 0 0 0 -27,-0.1 4,-2.2 142,-0.1 5,-0.2 -0.008 82.2 100.0 130.8 -26.5 8.0 30.3 12.0 62 64 A H H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 82.9 43.7 -58.7 -49.8 9.9 27.1 12.6 63 65 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.852 113.1 53.6 -66.8 -37.4 7.2 24.5 11.7 64 66 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 138,-0.3 0.885 110.1 47.1 -64.0 -42.5 6.2 26.6 8.7 65 67 A H H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 137,-0.4 0.937 113.1 48.3 -62.7 -49.4 9.8 26.6 7.4 66 68 A V H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.2 3,-0.2 0.949 110.3 52.2 -57.4 -48.4 10.2 22.8 8.0 67 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 3,-0.2 0.916 106.0 55.3 -61.2 -39.4 6.8 22.2 6.2 68 70 A G H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.797 104.5 52.9 -62.7 -33.9 8.1 24.2 3.2 69 71 A T H < S+ 0 0 4 -4,-1.6 13,-2.1 -3,-0.2 -1,-0.2 0.886 114.3 42.9 -68.9 -36.8 11.2 22.0 2.8 70 72 A I H < S- 0 0 0 -4,-1.7 13,-3.0 -3,-0.2 -2,-0.2 0.943 139.7 -4.5 -77.4 -42.4 9.0 18.9 2.8 71 73 A A H < + 0 0 2 -4,-2.8 -29,-0.3 10,-0.2 -3,-0.2 0.072 65.7 159.1-148.6 35.7 6.2 20.2 0.4 72 74 A A < - 0 0 0 -4,-2.1 9,-2.7 1,-0.1 -31,-0.2 -0.343 58.8 -95.3 -58.9 139.0 6.3 23.8 -0.7 73 75 A L - 0 0 48 -33,-2.8 2,-0.9 7,-0.2 4,-0.2 -0.276 22.4-125.3 -64.7 149.1 4.1 23.7 -3.8 74 76 A N S S+ 0 0 98 10,-0.2 2,-0.2 -3,-0.1 6,-0.1 -0.779 70.9 103.9 -89.3 101.5 5.4 23.3 -7.3 75 77 A N S S- 0 0 61 -2,-0.9 -73,-0.2 2,-0.4 -35,-0.0 -0.584 88.0 -67.6-154.7-144.1 3.9 26.3 -9.0 76 78 A S S S+ 0 0 89 -2,-0.2 2,-0.3 -75,-0.1 -2,-0.1 0.136 103.0 60.8-115.7 26.5 5.3 29.7 -10.1 77 79 A I S S- 0 0 62 2,-0.2 -2,-0.4 -4,-0.2 -75,-0.2 -0.950 92.7 -7.0-139.6 166.3 6.0 31.3 -6.8 78 80 A G S S- 0 0 14 -77,-0.3 -75,-2.9 -2,-0.3 2,-0.1 -0.237 94.7 -38.3 58.6-127.7 8.2 30.8 -3.8 79 81 A V - 0 0 2 -77,-0.2 2,-0.4 -39,-0.1 -4,-0.3 -0.394 52.0-114.2-123.4-159.5 10.2 27.6 -3.3 80 82 A L - 0 0 8 -2,-0.1 -7,-0.2 -6,-0.1 -6,-0.1 -0.979 20.0-138.3-147.5 128.8 9.7 23.9 -4.0 81 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.289 26.5-113.9 -81.7 171.2 9.5 21.1 -1.5 82 84 A V S S+ 0 0 0 -13,-2.1 -11,-0.2 1,-0.3 -12,-0.2 0.877 119.4 23.0 -70.0 -35.0 11.2 17.6 -1.8 83 85 A A S > S+ 0 0 0 -13,-3.0 3,-2.4 -14,-0.2 -1,-0.3 -0.685 76.1 179.4-135.1 78.5 7.6 16.1 -2.1 84 86 A P T 3 S+ 0 0 5 0, 0.0 -10,-0.2 0, 0.0 -61,-0.2 0.650 81.1 47.0 -61.3 -13.0 5.4 19.0 -3.4 85 87 A S T 3 S+ 0 0 55 -63,-2.8 -60,-0.6 -12,-0.1 -59,-0.2 0.193 81.4 121.9-110.8 8.5 2.3 16.9 -3.4 86 88 A A < - 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0 0 37 -2,-0.3 2,-0.1 -6,-0.3 -6,-0.1 -0.977 28.7 -96.0-153.4 167.7 7.6 21.8 24.2 101 103 A S > - 0 0 57 -2,-0.3 4,-2.4 -8,-0.2 5,-0.2 -0.479 30.1-117.1 -87.9 162.0 7.1 19.1 26.7 102 104 A V H > S+ 0 0 45 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.867 117.8 57.2 -57.1 -40.7 7.6 15.4 26.4 103 105 A S H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.905 106.5 46.5 -58.9 -46.4 3.9 15.0 27.0 104 106 A S H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 115.4 45.9 -62.1 -44.4 3.0 17.3 24.0 105 107 A I H X S+ 0 0 13 -4,-2.4 4,-1.9 -12,-0.2 -2,-0.2 0.945 113.3 49.9 -66.3 -42.6 5.5 15.5 21.7 106 108 A A H X S+ 0 0 10 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.903 111.0 49.4 -64.5 -38.1 4.3 12.0 22.9 107 109 A Q H X S+ 0 0 98 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.880 109.0 52.3 -69.4 -34.6 0.6 13.0 22.3 108 110 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.877 109.6 50.4 -67.9 -34.8 1.5 14.3 18.8 109 111 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.874 109.8 49.3 -64.6 -42.9 3.2 10.9 18.0 110 112 A E H X S+ 0 0 66 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.903 109.8 52.0 -67.7 -38.8 0.2 9.0 19.2 111 113 A W H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 109.4 49.2 -59.4 -44.7 -2.0 11.2 17.1 112 114 A A H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 -2,-0.2 0.927 113.9 45.4 -63.8 -39.4 0.2 10.5 14.0 113 115 A G H ><5S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.886 116.1 47.6 -71.7 -35.8 0.1 6.7 14.7 114 116 A N H 3<5S+ 0 0 112 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.797 111.0 49.4 -72.5 -30.4 -3.7 6.8 15.3 115 117 A N T 3<5S- 0 0 79 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.043 114.4-105.1-104.2 28.0 -4.6 8.9 12.3 116 118 A G T < 5 + 0 0 46 -3,-0.8 -89,-0.2 1,-0.2 -3,-0.2 0.711 55.5 167.7 64.0 27.4 -2.7 6.9 9.6 117 119 A M < - 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