==== 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 SERINE PROTEINASE 13-APR-94 1MPT . COMPND 2 MOLECULE: M-PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CLAUSII; . AUTHOR T.YAMANE,T.KANI,T.HATANAKA,A.SUZUKI,T.ASHIDA,T.KOBAYASHI,S.I . 269 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9452.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.5 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 . 23 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.8 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 2 1 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 2 2 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 120 0, 0.0 78,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-161.4 12.1 -12.3 11.8 2 2 A Q - 0 0 39 76,-0.2 2,-0.3 74,-0.2 78,-0.2 -0.760 360.0-155.5 -97.4 138.1 8.5 -13.1 11.9 3 3 A S - 0 0 59 76,-3.1 78,-0.3 -2,-0.4 75,-0.1 -0.846 10.3-140.8-116.0 152.5 7.3 -16.4 13.4 4 4 A V - 0 0 66 -2,-0.3 5,-0.1 76,-0.2 78,-0.1 -0.960 28.8-130.4-108.8 98.3 3.9 -18.1 12.6 5 5 A P >> - 0 0 19 0, 0.0 4,-1.1 0, 0.0 3,-0.7 -0.135 20.7-109.4 -47.6 152.2 2.6 -19.5 15.9 6 6 A W H 3> S+ 0 0 57 1,-0.2 4,-2.2 193,-0.2 194,-0.1 0.697 116.1 56.8 -52.5 -40.7 1.4 -23.1 15.9 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.826 102.9 52.4 -66.0 -36.9 -2.3 -22.1 16.2 8 8 A I H <4>S+ 0 0 3 -3,-0.7 5,-1.8 2,-0.2 -1,-0.2 0.787 112.7 45.0 -69.3 -30.3 -2.3 -19.9 13.0 9 9 A S H ><5S+ 0 0 55 -4,-1.1 3,-1.8 3,-0.2 -2,-0.2 0.930 113.5 51.5 -72.7 -52.3 -0.8 -22.8 11.0 10 10 A R H 3<5S+ 0 0 89 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.852 109.3 48.0 -49.1 -45.0 -3.3 -25.2 12.7 11 11 A V T 3<5S- 0 0 0 -4,-2.6 254,-2.6 253,-0.1 255,-0.3 0.430 112.9-127.6 -72.9 -6.4 -6.3 -22.9 11.8 12 12 A Q T X>5 + 0 0 85 -3,-1.8 4,-1.1 252,-0.2 3,-0.8 0.756 54.3 153.4 52.7 39.9 -4.8 -22.9 8.3 13 13 A A H >>< + 0 0 0 -5,-1.8 4,-2.5 1,-0.2 3,-0.5 0.894 64.2 62.5 -57.4 -45.8 -4.7 -19.1 7.9 14 14 A P H 3> S+ 0 0 45 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.781 98.8 54.9 -50.8 -39.6 -1.7 -19.1 5.4 15 15 A A H <> S+ 0 0 32 -3,-0.8 4,-1.0 2,-0.2 -2,-0.2 0.905 110.0 46.2 -64.2 -40.4 -3.7 -21.0 2.8 16 16 A A H X<>S+ 0 0 0 -4,-1.1 5,-2.0 -3,-0.5 3,-1.0 0.934 111.8 52.8 -64.8 -45.2 -6.4 -18.4 3.0 17 17 A H H ><5S+ 0 0 31 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.833 102.3 58.7 -56.6 -39.8 -3.6 -15.7 2.8 18 18 A N H 3<5S+ 0 0 148 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.808 103.9 51.7 -63.3 -31.9 -2.3 -17.5 -0.4 19 19 A R T <<5S- 0 0 109 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.257 129.0-101.7 -88.6 11.9 -5.7 -16.9 -2.0 20 20 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.654 75.5 141.6 79.9 22.4 -5.4 -13.2 -1.0 21 21 A L < + 0 0 12 -5,-2.0 -1,-0.2 1,-0.2 -2,-0.1 -0.894 5.4 149.2-100.6 112.2 -7.7 -13.2 2.0 22 22 A T - 0 0 34 -2,-0.7 64,-2.4 62,-0.1 65,-0.4 0.364 69.8-100.6-118.7 -12.2 -6.1 -11.0 4.7 23 23 A G > + 0 0 0 1,-0.2 3,-1.5 205,-0.2 65,-0.3 0.662 63.7 169.8 95.8 13.9 -9.2 -9.7 6.4 24 24 A S T 3 + 0 0 65 1,-0.2 -1,-0.2 63,-0.1 63,-0.2 -0.329 59.5 19.2 -64.5 144.9 -9.0 -6.5 4.5 25 25 A G T 3 S+ 0 0 46 61,-0.5 2,-0.5 1,-0.2 -1,-0.2 0.472 97.3 121.6 75.7 7.1 -12.0 -4.1 4.7 26 26 A V < - 0 0 2 -3,-1.5 62,-3.4 60,-0.3 2,-0.6 -0.921 54.4-144.3-110.4 131.9 -13.3 -5.8 7.9 27 27 A K E -a 88 0A 62 -2,-0.5 92,-2.5 90,-0.2 93,-2.2 -0.838 17.5-172.9 -93.4 118.7 -13.8 -4.0 11.1 28 28 A V E -ab 89 120A 0 60,-3.6 62,-2.4 -2,-0.6 2,-0.4 -0.920 8.2-160.1-116.9 119.5 -13.0 -6.1 14.3 29 29 A A E -ab 90 121A 0 91,-3.0 93,-2.9 -2,-0.5 2,-0.5 -0.798 5.3-156.3 -93.9 144.4 -13.8 -4.9 17.8 30 30 A V E -ab 91 122A 2 60,-1.7 62,-1.9 -2,-0.4 2,-1.1 -0.995 4.5-156.1-120.2 107.3 -11.9 -6.5 20.7 31 31 A L E +a 92 0A 0 91,-3.3 93,-0.3 -2,-0.5 2,-0.2 -0.789 53.2 96.4 -89.1 99.5 -13.9 -6.2 24.0 32 32 A D E S-a 93 0A 0 60,-1.6 63,-1.8 -2,-1.1 62,-1.8 -0.670 90.4 -47.6-157.8-160.0 -11.1 -6.5 26.6 33 33 A T S S- 0 0 1 1,-0.2 27,-0.7 -2,-0.2 28,-0.3 0.367 97.4 -83.1 -71.7 3.0 -8.6 -4.9 28.8 34 34 A G - 0 0 3 58,-0.2 23,-0.2 25,-0.2 -1,-0.2 -0.584 37.1-101.3 121.4-179.8 -7.5 -2.5 26.0 35 35 A I - 0 0 0 -2,-0.2 56,-0.1 29,-0.1 21,-0.1 -0.929 32.3-146.1-131.3 106.8 -5.1 -2.9 23.1 36 37 A S - 0 0 13 -2,-0.2 22,-0.2 22,-0.1 2,-0.1 -0.528 31.3-102.1 -75.0 148.9 -1.4 -1.1 23.6 37 38 A T + 0 0 101 20,-0.1 170,-0.3 2,-0.0 169,-0.3 -0.468 52.2 172.5 -60.0 135.3 0.2 0.3 20.5 38 39 A H > - 0 0 8 3,-0.2 3,-2.0 -2,-0.1 5,-0.1 -0.966 44.7-111.6-150.1 144.5 2.9 -2.1 19.3 39 40 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.0 0, 0.0 39,-0.0 0.780 118.0 48.6 -50.6 -31.9 5.1 -2.2 16.1 40 41 A D T 3 S+ 0 0 0 33,-0.1 34,-1.6 36,-0.0 2,-0.3 0.033 103.8 75.6 -99.5 24.7 3.3 -5.3 14.8 41 42 A L < - 0 0 13 -3,-2.0 2,-0.5 32,-0.2 -3,-0.2 -0.951 58.3-157.3-130.5 154.7 -0.3 -3.9 15.4 42 43 A N - 0 0 99 -2,-0.3 47,-0.7 30,-0.2 2,-0.6 -0.962 15.4-169.4-130.7 108.7 -2.4 -1.4 13.5 43 44 A I E -c 89 0A 38 -2,-0.5 47,-0.2 1,-0.1 3,-0.1 -0.938 8.5-173.6-106.4 123.0 -5.1 0.0 15.8 44 45 A R E - 0 0 125 45,-2.7 2,-0.3 -2,-0.6 46,-0.2 0.735 56.1 -63.6 -86.2 -29.1 -7.7 2.1 14.0 45 46 A G E +c 90 0A 26 44,-1.1 46,-3.4 2,-0.0 2,-0.3 -0.992 52.3 168.8 170.4-168.9 -9.6 3.4 17.0 46 47 A G E -c 91 0A 32 -2,-0.3 2,-0.3 44,-0.3 46,-0.2 -0.969 23.5-115.8 164.5-163.9 -11.8 2.5 20.1 47 48 A A E -c 92 0A 24 44,-1.7 46,-2.5 -2,-0.3 2,-0.4 -0.924 19.6-122.2-161.4 159.7 -13.3 3.8 23.2 48 49 A S E +c 93 0A 39 -2,-0.3 46,-0.2 44,-0.2 8,-0.1 -0.964 20.1 176.6-116.2 136.7 -13.0 3.1 27.0 49 50 A F + 0 0 46 44,-2.6 45,-0.1 -2,-0.4 59,-0.1 -0.098 50.7 109.6-121.6 14.1 -15.9 2.1 29.2 50 51 A V S > S- 0 0 20 3,-0.5 3,-2.1 43,-0.1 2,-0.2 -0.917 71.4-127.4-102.0 124.1 -13.9 1.6 32.4 51 52 A P T 3 S+ 0 0 119 0, 0.0 -2,-0.1 0, 0.0 54,-0.0 -0.511 100.0 21.1 -64.5 124.3 -14.4 4.2 35.1 52 53 A G T 3 0 0 86 -2,-0.2 -3,-0.0 1,-0.1 44,-0.0 0.231 360.0 360.0 101.0 -15.1 -10.9 5.3 35.9 53 54 A E < 0 0 61 -3,-2.1 -3,-0.5 40,-0.1 40,-0.1 -0.909 360.0 360.0-126.2 360.0 -9.2 4.3 32.6 54 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 55 56 A P 0 0 83 0, 0.0 -5,-0.1 0, 0.0 -8,-0.1 0.000 360.0 360.0 360.0-178.3 -7.4 5.1 28.3 56 57 A S + 0 0 36 -8,-0.1 36,-0.1 1,-0.1 -21,-0.1 0.645 360.0 31.9-100.0-103.1 -8.2 2.6 25.6 57 58 A T S S+ 0 0 9 -23,-0.2 2,-1.3 34,-0.2 -20,-0.1 0.568 100.8 96.8 -33.8 -12.4 -5.5 1.1 23.5 58 59 A Q - 0 0 85 -22,-0.2 2,-0.6 33,-0.1 -22,-0.1 -0.797 64.8-167.5 -95.0 104.9 -3.5 1.5 26.6 59 60 A D - 0 0 12 -2,-1.3 -25,-0.2 1,-0.1 -3,-0.1 -0.793 16.8-175.5 -90.7 122.5 -3.8 -1.9 28.0 60 61 A G S S+ 0 0 57 -27,-0.7 -1,-0.1 -2,-0.6 -26,-0.1 0.405 84.6 44.3 -96.4 -3.7 -2.6 -2.1 31.6 61 62 A N S S- 0 0 61 -28,-0.3 -27,-0.1 37,-0.0 36,-0.1 0.822 91.3-134.1-101.9 -59.7 -3.1 -5.8 31.7 62 63 A G S > S+ 0 0 0 -28,-0.1 4,-2.3 142,-0.1 5,-0.2 -0.047 79.1 100.3 119.7 -23.3 -1.7 -7.4 28.4 63 64 A H H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.951 84.3 43.2 -60.7 -52.3 -4.8 -9.7 27.7 64 65 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.862 113.2 52.8 -61.7 -38.7 -6.4 -7.4 25.1 65 66 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 138,-0.3 0.926 112.0 46.3 -62.6 -41.8 -3.1 -6.7 23.4 66 67 A H H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 137,-0.4 0.943 110.9 51.8 -62.3 -53.4 -2.5 -10.5 23.2 67 68 A V H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.914 111.0 47.3 -52.1 -46.8 -6.0 -11.2 21.9 68 69 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 -1,-0.2 0.873 104.6 61.5 -68.5 -30.2 -5.6 -8.6 19.1 69 70 A G H X S+ 0 0 1 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.928 104.7 48.4 -60.3 -44.9 -2.2 -9.9 18.2 70 71 A T H < S+ 0 0 6 -4,-1.8 13,-1.9 2,-0.2 -1,-0.2 0.864 113.9 45.0 -64.9 -39.1 -3.8 -13.3 17.3 71 72 A I H < S- 0 0 0 -4,-1.4 13,-4.1 11,-0.2 -2,-0.2 0.902 137.3 -6.7 -75.3 -43.2 -6.5 -11.8 15.2 72 73 A A H < + 0 0 2 -4,-3.4 -30,-0.2 10,-0.2 -2,-0.2 0.192 64.9 153.5-146.5 37.2 -4.2 -9.4 13.3 73 74 A A < - 0 0 0 -4,-2.2 9,-2.7 1,-0.1 -32,-0.2 -0.373 60.9 -85.9 -72.0 143.7 -0.6 -8.7 14.0 74 75 A L - 0 0 43 -34,-1.6 2,-0.8 7,-0.2 4,-0.2 -0.161 24.8-124.9 -59.5 139.3 1.1 -7.6 10.8 75 76 A N S S+ 0 0 106 10,-0.2 2,-0.2 -3,-0.1 -1,-0.1 -0.776 71.4 105.6 -82.1 103.1 2.5 -9.8 8.1 76 77 A N S S- 0 0 57 -2,-0.8 -74,-0.2 2,-0.3 -36,-0.0 -0.726 88.4 -70.4-156.1-158.0 6.1 -8.3 8.0 77 78 A S S S+ 0 0 93 -2,-0.2 2,-0.3 -76,-0.1 -2,-0.1 -0.135 101.5 77.3-105.1 34.4 9.6 -9.4 9.2 78 79 A I S S- 0 0 68 -4,-0.2 -2,-0.3 2,-0.2 -76,-0.2 -0.995 91.9 -30.2-149.2 156.2 8.9 -9.0 12.8 79 80 A G S S- 0 0 11 -78,-0.4 -76,-3.1 -2,-0.3 2,-0.1 -0.256 98.2 -27.2 44.7-114.2 7.2 -10.6 15.8 80 81 A V - 0 0 1 -78,-0.2 2,-0.4 -40,-0.1 -4,-0.3 -0.368 50.5-119.5-118.3-169.0 4.2 -12.7 14.8 81 82 A L - 0 0 12 -78,-0.3 -7,-0.2 -2,-0.1 -73,-0.1 -1.000 22.7-143.7-138.9 128.9 1.4 -13.0 12.2 82 83 A G - 0 0 0 -9,-2.7 -11,-0.2 -2,-0.4 -10,-0.2 -0.382 26.7-112.9 -88.9 166.0 -2.4 -12.8 13.0 83 84 A V S S+ 0 0 0 -13,-1.9 -11,-0.2 1,-0.2 -12,-0.2 0.898 117.1 31.1 -61.8 -45.4 -5.1 -14.8 11.3 84 85 A A S > S+ 0 0 0 -13,-4.1 3,-2.5 -14,-0.1 -1,-0.2 -0.645 73.1 177.7-119.4 70.8 -6.4 -11.6 9.6 85 86 A P T 3 S+ 0 0 9 0, 0.0 -10,-0.2 0, 0.0 -62,-0.2 0.566 80.1 42.6 -51.6 -20.5 -3.3 -9.4 9.1 86 87 A S T 3 S+ 0 0 53 -64,-2.4 -61,-0.5 -12,-0.1 -60,-0.3 0.170 82.2 129.5-109.7 17.5 -5.2 -6.5 7.4 87 88 A A < - 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