==== 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(SERINE PROTEASE) 17-JAN-93 1SEL . COMPND 2 MOLECULE: SELENOSUBTILISIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.SYED,J.M.HOGLE,D.HILVERT . 548 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.1 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 . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 36 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 6 0 1 1 0 0 4 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 PARALLEL BRIDGES PER LADDER . 8 0 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 2 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 0 121 0, 0.0 2,-0.3 0, 0.0 78,-0.2 0.000 360.0 360.0 360.0 151.5 37.4 -4.6 1.5 2 2 A Q - 0 0 42 74,-0.3 2,-0.4 76,-0.2 78,-0.2 -0.771 360.0-141.2-102.4 142.4 36.6 -1.3 3.2 3 3 A T - 0 0 75 76,-3.1 78,-0.4 -2,-0.3 75,-0.1 -0.829 8.9-144.4 -99.2 136.6 34.6 -1.0 6.5 4 4 A V - 0 0 72 -2,-0.4 78,-0.1 76,-0.2 76,-0.1 -0.932 21.7-131.5 -97.6 114.6 32.2 1.9 6.9 5 5 A P > - 0 0 15 0, 0.0 3,-1.1 0, 0.0 199,-0.1 -0.411 22.5-112.6 -58.7 151.5 32.2 3.1 10.6 6 6 A Y T 3> S+ 0 0 64 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.668 111.3 68.0 -60.6 -25.5 28.7 3.5 12.2 7 7 A G H 3> S+ 0 0 2 2,-0.2 4,-2.1 3,-0.2 6,-0.3 0.858 89.8 59.5 -63.9 -41.5 29.2 7.3 12.3 8 8 A I H <4>S+ 0 0 2 -3,-1.1 5,-1.9 1,-0.2 6,-0.6 0.973 114.3 35.6 -61.0 -57.7 29.1 7.8 8.5 9 9 A P H >45S+ 0 0 56 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.870 111.7 61.3 -63.2 -29.6 25.5 6.3 8.2 10 10 A L H 3<5S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.895 111.0 39.1 -66.9 -34.8 24.3 7.7 11.5 11 11 A I T 3<5S- 0 0 0 -4,-2.1 258,-2.5 -3,-0.3 259,-0.5 0.388 115.6-120.5 -89.3 5.6 24.9 11.4 10.4 12 12 A K T X>5 + 0 0 52 -3,-1.3 4,-1.0 -4,-0.3 3,-0.8 0.628 67.5 140.9 61.4 29.8 23.6 10.3 6.9 13 13 A A H 3>< + 0 0 0 -5,-1.9 4,-2.5 -6,-0.3 5,-0.2 0.792 65.5 62.9 -71.1 -24.6 26.8 11.3 5.1 14 14 A D H 3> S+ 0 0 52 -6,-0.6 4,-2.1 2,-0.2 -1,-0.3 0.886 96.2 59.1 -68.4 -29.1 26.5 8.2 2.9 15 15 A K H <> S+ 0 0 82 -3,-0.8 4,-0.8 2,-0.2 -2,-0.2 0.946 110.2 41.6 -64.3 -40.4 23.3 9.7 1.5 16 16 A V H >X>S+ 0 0 0 -4,-1.0 5,-1.7 1,-0.2 3,-0.7 0.896 111.4 54.9 -75.3 -43.3 25.1 12.8 0.3 17 17 A Q H ><5S+ 0 0 21 -4,-2.5 3,-0.8 1,-0.3 -1,-0.2 0.864 106.7 52.6 -59.2 -33.5 28.2 10.8 -1.0 18 18 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.749 100.2 61.4 -72.7 -29.0 25.8 8.7 -3.1 19 19 A Q H <<5S- 0 0 79 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.629 128.1-103.3 -69.1 -16.5 24.3 11.9 -4.6 20 20 A G T <<5S+ 0 0 53 -3,-0.8 2,-0.7 -4,-0.6 -3,-0.2 0.402 84.7 123.2 110.4 0.1 27.9 12.5 -5.9 21 21 A F < + 0 0 66 -5,-1.7 -1,-0.2 1,-0.1 -2,-0.2 -0.862 18.5 153.4-103.3 113.2 29.2 15.1 -3.3 22 22 A K - 0 0 58 -2,-0.7 64,-2.5 62,-0.1 65,-0.4 0.200 67.7 -89.4-122.4 6.4 32.3 13.9 -1.6 23 23 A G > + 0 0 0 209,-0.3 3,-1.8 1,-0.2 65,-0.3 0.547 60.5 171.5 99.5 8.0 34.2 17.1 -0.6 24 24 A A T 3 + 0 0 51 1,-0.3 -1,-0.2 63,-0.2 63,-0.2 -0.278 67.9 9.5 -59.1 137.8 36.3 17.6 -3.6 25 25 A N T 3 S+ 0 0 144 61,-0.6 2,-0.5 1,-0.3 -1,-0.3 0.627 93.5 122.2 67.5 20.5 38.2 21.0 -3.7 26 26 A V < - 0 0 5 -3,-1.8 62,-3.1 60,-0.2 2,-0.5 -0.918 56.8-142.0-102.1 136.0 37.3 21.8 -0.1 27 27 A K E -a 88 0A 69 -2,-0.5 92,-2.3 60,-0.2 93,-1.6 -0.930 19.9-174.3 -98.2 124.2 40.6 22.4 1.9 28 28 A V E -ab 89 120A 0 60,-2.8 62,-2.3 -2,-0.5 2,-0.4 -0.964 8.8-159.0-123.7 134.5 40.4 21.0 5.5 29 29 A A E -ab 90 121A 0 91,-1.9 93,-2.2 -2,-0.4 2,-0.6 -0.949 4.6-154.2-113.8 130.5 43.2 21.6 8.0 30 30 A V E -ab 91 122A 2 60,-2.1 62,-2.1 -2,-0.4 2,-0.8 -0.945 6.6-157.4-107.4 110.3 43.5 19.2 11.1 31 31 A L E +a 92 0A 0 91,-2.3 93,-0.4 -2,-0.6 2,-0.2 -0.782 52.5 93.1 -93.6 111.1 45.2 21.0 14.0 32 32 A D E S-a 93 0A 1 60,-2.3 62,-2.1 -2,-0.8 63,-1.7 -0.721 91.5 -40.6-170.1-154.9 46.5 18.1 16.0 33 33 A T S S- 0 0 1 1,-0.3 27,-0.4 -2,-0.2 28,-0.3 0.215 93.5 -93.3 -86.4 15.0 49.5 15.8 16.7 34 34 A G - 0 0 2 58,-0.3 -1,-0.3 -4,-0.2 2,-0.3 -0.424 40.5 -95.5 97.8 179.2 50.3 15.5 12.9 35 35 A I - 0 0 1 21,-1.4 2,-1.3 23,-0.3 3,-0.1 -0.993 24.1-119.2-135.9 137.8 49.1 12.8 10.5 36 36 A Q > - 0 0 15 -2,-0.3 3,-1.5 1,-0.2 22,-0.2 -0.692 36.8-171.5 -75.3 97.1 51.0 9.6 9.5 37 37 A A T 3 S+ 0 0 31 -2,-1.3 7,-0.3 20,-0.8 -1,-0.2 0.786 74.9 62.4 -67.5 -27.8 51.0 10.7 5.8 38 38 A S T 3 S+ 0 0 97 19,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.491 71.9 122.6 -75.5 -2.6 52.3 7.4 4.4 39 39 A H X - 0 0 1 -3,-1.5 3,-2.1 1,-0.2 168,-0.0 -0.460 67.5-132.7 -62.2 126.8 49.2 5.6 5.6 40 40 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 38,-0.1 0.732 102.5 51.7 -59.4 -26.8 47.7 3.9 2.5 41 41 A D T 3 S+ 0 0 0 32,-0.1 33,-2.0 35,-0.0 2,-0.4 0.278 102.7 70.7 -93.5 13.7 44.1 5.1 3.3 42 42 A L < - 0 0 9 -3,-2.1 2,-0.5 31,-0.2 31,-0.1 -0.980 56.4-164.7-127.3 140.9 45.1 8.8 3.8 43 43 A N - 0 0 97 -2,-0.4 2,-0.6 29,-0.3 46,-0.6 -0.953 10.1-173.0-124.6 108.9 46.1 11.4 1.2 44 44 A V E -c 89 0A 21 -2,-0.5 46,-0.2 -7,-0.3 3,-0.1 -0.899 7.1-169.8-100.1 115.5 47.7 14.5 2.9 45 45 A V E - 0 0 68 44,-2.5 2,-0.3 -2,-0.6 45,-0.2 0.703 59.7 -51.9 -86.6 -11.7 48.3 17.3 0.3 46 46 A G E +c 90 0A 11 43,-1.0 45,-2.2 10,-0.1 2,-0.3 -0.978 57.1 162.6 172.6-165.2 50.5 19.5 2.7 47 47 A G E -c 91 0A 21 43,-0.3 2,-0.3 -2,-0.3 45,-0.3 -0.982 27.8-103.6 156.5-161.9 50.7 21.2 6.1 48 48 A A E -c 92 0A 16 43,-2.1 45,-2.6 -2,-0.3 2,-0.4 -0.989 15.0-136.0-159.7 153.6 52.9 22.9 8.7 49 49 A S E +c 93 0A 35 -2,-0.3 45,-0.2 43,-0.2 7,-0.1 -0.971 16.5 177.0-117.8 134.1 54.6 22.1 12.0 50 50 A F + 0 0 82 43,-3.5 2,-0.5 -2,-0.4 58,-0.1 -0.142 63.1 95.9-121.7 35.5 54.7 24.5 15.0 51 51 A V S > S- 0 0 28 3,-0.4 3,-1.2 42,-0.1 2,-0.2 -0.999 81.2-125.4-126.0 118.2 56.4 21.9 17.1 52 52 A A T 3 S+ 0 0 103 -2,-0.5 3,-0.1 1,-0.2 -2,-0.1 -0.497 91.6 21.5 -72.6 131.9 60.1 22.3 17.0 53 53 A G T 3 S+ 0 0 88 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 -0.002 107.9 86.9 103.6 -23.2 61.9 19.2 16.0 54 54 A E < - 0 0 51 -3,-1.2 -3,-0.4 39,-0.1 2,-0.2 -0.845 63.1-142.8-117.4 145.4 59.0 17.5 14.2 55 55 A A > - 0 0 50 -2,-0.3 3,-0.7 -3,-0.1 -7,-0.1 -0.535 30.6-113.9 -94.8 167.9 57.7 17.8 10.6 56 57 A Y T 3 S+ 0 0 73 1,-0.2 -21,-1.4 -2,-0.2 -8,-0.1 0.675 105.4 72.7 -74.6 -19.5 54.0 17.7 9.9 57 58 A N T 3 S+ 0 0 77 -23,-0.2 -20,-0.8 -21,-0.1 -19,-0.4 0.139 87.8 69.6 -91.2 28.6 54.1 14.3 8.1 58 59 A T < - 0 0 71 -3,-0.7 2,-0.3 -22,-0.2 -23,-0.3 -0.916 59.6-162.4-139.0 145.4 54.7 12.2 11.2 59 60 A D + 0 0 11 -2,-0.3 -25,-0.1 -25,-0.2 -23,-0.1 -0.777 8.6 178.5-136.4 100.3 52.3 11.4 14.1 60 61 A G S S+ 0 0 51 -27,-0.4 -1,-0.1 -2,-0.3 -26,-0.1 0.598 81.2 41.4 -74.7 -11.5 54.1 10.2 17.2 61 62 A N S S- 0 0 54 -28,-0.3 -1,-0.2 -27,-0.0 36,-0.1 0.829 91.0-132.9-104.7 -42.9 50.9 9.9 19.2 62 63 A G S > S+ 0 0 0 -29,-0.2 4,-1.9 -28,-0.1 3,-0.3 -0.185 80.8 98.1 112.8 -44.5 48.1 8.5 17.0 63 64 A H H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 83.6 49.5 -47.6 -48.6 45.4 11.0 17.9 64 65 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.865 109.2 49.3 -62.4 -44.5 45.9 13.2 14.7 65 66 A T H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 142,-0.3 0.862 112.3 50.8 -63.7 -38.2 45.9 10.3 12.2 66 67 A H H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 141,-0.3 0.923 110.8 46.3 -66.3 -49.6 42.6 9.1 13.8 67 68 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-0.4 0.933 112.4 51.9 -61.0 -42.7 40.9 12.4 13.6 68 69 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 3,-0.3 0.899 105.0 55.9 -62.0 -40.9 42.0 12.9 10.0 69 70 A G H X S+ 0 0 1 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.805 103.8 54.1 -59.8 -34.6 40.6 9.4 9.0 70 71 A T H < S+ 0 0 7 -4,-1.4 13,-2.4 -3,-0.4 -1,-0.2 0.867 116.3 38.5 -70.2 -35.9 37.2 10.3 10.3 71 72 A V H < S+ 0 0 0 -4,-1.3 13,-3.0 -3,-0.3 -2,-0.2 0.961 139.0 2.2 -75.1 -51.4 37.3 13.5 8.0 72 73 A A H < + 0 0 5 -4,-3.2 -29,-0.3 10,-0.2 -3,-0.2 0.064 67.3 150.8-136.1 25.2 39.0 12.0 4.9 73 74 A A < - 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0 0 44 4,-2.0 3,-2.4 -2,-0.3 -2,-0.1 -0.355 42.3 -79.3 -87.5-179.5 53.5 16.8 20.3 97 98 A S T 3 S+ 0 0 51 1,-0.3 -64,-0.1 2,-0.1 -1,-0.0 0.746 132.4 55.3 -46.8 -29.7 53.8 13.0 20.7 98 99 A S T 3 S- 0 0 97 2,-0.2 -1,-0.3 -37,-0.0 3,-0.1 0.636 116.6-114.7 -84.8 -14.5 52.5 13.5 24.2 99 100 A G S < S+ 0 0 38 -3,-2.4 2,-0.4 1,-0.4 -2,-0.1 0.723 77.7 118.6 88.2 23.3 49.4 15.4 23.0 100 101 A S + 0 0 63 -4,-0.1 -4,-2.0 -67,-0.0 -1,-0.4 -0.925 29.4 158.4-123.3 140.1 50.4 18.7 24.7 101 102 A G - 0 0 42 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.1 -0.947 37.2-107.4-147.5 169.2 51.2 22.0 23.1 102 103 A S >> - 0 0 77 -2,-0.3 4,-1.8 -8,-0.2 3,-1.0 -0.644 34.5-105.8 -94.9 164.4 51.2 25.6 24.3 103 104 A Y H 3> S+ 0 0 82 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.903 118.3 55.4 -55.9 -39.5 48.6 28.3 23.4 104 105 A S H 3> S+ 0 0 86 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.792 104.5 52.5 -62.9 -33.9 51.0 30.0 21.0 105 106 A G H <> S+ 0 0 10 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.915 111.1 46.5 -68.2 -44.7 51.6 26.9 19.0 106 107 A I H >X S+ 0 0 13 -4,-1.8 4,-1.9 2,-0.2 3,-0.8 0.971 112.2 51.5 -63.2 -51.1 47.9 26.4 18.6 107 108 A V H 3X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.881 107.6 51.5 -56.4 -40.1 47.5 30.1 17.6 108 109 A S H 3X S+ 0 0 44 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.858 108.6 53.4 -69.8 -27.0 50.2 29.9 15.0 109 110 A G H S+ 0 0 0 -4,-1.8 5,-2.2 -3,-0.3 -2,-0.2 0.883 111.0 47.6 -75.4 -41.9 45.3 27.9 8.1 114 115 A T H ><5S+ 0 0 10 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.905 115.7 47.6 -59.3 -46.3 43.4 31.3 7.7 115 116 A T H 3<5S+ 0 0 107 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.694 110.4 50.0 -68.1 -26.4 46.4 32.6 5.7 116 117 A N T 3<5S- 0 0 73 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.294 116.8-113.0-100.1 15.5 46.7 29.5 3.5 117 118 A G T < 5 + 0 0 44 -3,-1.0 -90,-0.2 1,-0.2 -3,-0.2 0.775 47.1 175.5 65.7 39.5 43.0 29.6 2.7 118 119 A M < - 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