==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-AUG-04 1X7F . COMPND 2 MOLECULE: OUTER SURFACE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS ATCC 14579; . AUTHOR G.MINASOV,L.SHUVALOVA,J.S.BRUNZELLE,F.R.COLLART,W.F.ANDERSON . 347 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 240 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 8.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 . 31 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 2 0 1 1 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 5 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 . 4 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 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 M 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.3 1.6 -24.2 12.4 2 2 A E - 0 0 124 1,-0.1 2,-0.5 208,-0.0 0, 0.0 -0.246 360.0-137.4 -58.7 144.1 3.9 -25.8 15.0 3 3 A R - 0 0 45 207,-0.0 2,-0.3 208,-0.0 207,-0.2 -0.931 21.3-165.8-112.7 126.7 6.9 -23.7 16.2 4 4 A K E -a 210 0A 26 205,-0.5 207,-2.7 -2,-0.5 2,-0.4 -0.791 16.9-139.7-113.1 154.3 10.3 -25.4 16.7 5 5 A L E -ab 211 31A 0 25,-0.6 27,-2.3 -2,-0.3 28,-1.1 -0.916 28.5-172.5-103.7 139.7 13.6 -24.6 18.3 6 6 A G E -ab 212 33A 0 205,-3.1 207,-2.1 -2,-0.4 2,-0.3 -0.862 15.5-154.9-129.7 164.7 16.8 -25.5 16.4 7 7 A I E -ab 213 34A 0 26,-1.7 28,-2.7 -2,-0.3 2,-0.3 -0.936 17.8-129.5-130.7 154.6 20.6 -25.6 16.9 8 8 A S E - b 0 35A 0 205,-0.7 2,-0.3 207,-0.4 28,-0.2 -0.845 17.5-162.1-106.0 147.7 23.4 -25.5 14.4 9 9 A L E - b 0 36A 2 26,-2.5 28,-1.4 -2,-0.3 3,-0.1 -0.941 16.8-176.9-122.8 150.1 26.3 -27.9 14.1 10 10 A Y > - 0 0 2 -2,-0.3 3,-2.1 26,-0.2 4,-0.1 -0.635 11.4-179.3-139.6 74.8 29.7 -27.6 12.4 11 11 A P G > S+ 0 0 16 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.756 75.9 61.4 -55.3 -31.1 31.2 -31.0 13.0 12 12 A E G 3 S+ 0 0 77 25,-0.4 26,-0.1 1,-0.3 4,-0.0 0.756 103.7 51.2 -68.5 -23.3 34.5 -30.3 11.2 13 13 A H G < S+ 0 0 86 -3,-2.1 -1,-0.3 2,-0.1 2,-0.2 0.230 123.4 20.3 -93.2 12.6 35.2 -27.5 13.7 14 14 A S S < S- 0 0 30 -3,-1.6 2,-0.3 -4,-0.1 3,-0.0 -0.673 88.1 -82.7-151.7-162.4 34.6 -29.8 16.6 15 15 A T > - 0 0 51 -2,-0.2 4,-1.5 1,-0.1 5,-0.2 -0.903 31.3-120.1-118.7 156.2 34.4 -33.5 17.8 16 16 A K H > S+ 0 0 56 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.834 111.9 59.9 -61.2 -32.2 31.5 -35.9 17.4 17 17 A E H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.956 108.2 40.1 -60.2 -56.6 31.5 -36.3 21.3 18 18 A K H > S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.743 116.0 52.7 -68.0 -25.1 30.9 -32.6 22.0 19 19 A D H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.877 111.9 45.0 -74.1 -41.6 28.4 -32.4 19.1 20 20 A M H X S+ 0 0 30 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.893 112.0 51.8 -69.4 -41.5 26.5 -35.4 20.4 21 21 A A H X S+ 0 0 61 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.879 110.6 50.3 -58.6 -38.4 26.6 -34.1 24.0 22 22 A Y H X S+ 0 0 11 -4,-1.3 4,-3.2 2,-0.2 5,-0.2 0.899 107.4 51.3 -67.4 -46.9 25.1 -30.8 22.6 23 23 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.909 112.1 48.9 -53.3 -46.4 22.3 -32.5 20.7 24 24 A S H X S+ 0 0 35 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.917 112.2 48.4 -59.6 -47.2 21.5 -34.2 24.1 25 25 A A H < S+ 0 0 13 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.909 112.6 46.8 -58.1 -49.8 21.6 -30.9 25.9 26 26 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.0 1,-0.2 3,-1.3 0.832 106.8 60.3 -64.4 -32.9 19.4 -29.1 23.4 27 27 A A H ><5S+ 0 0 29 -4,-1.9 3,-1.2 1,-0.3 -1,-0.2 0.800 96.1 58.8 -64.9 -34.9 16.9 -32.0 23.5 28 28 A R T 3<5S+ 0 0 152 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.258 107.0 50.2 -84.1 14.7 16.2 -31.6 27.2 29 29 A H T < 5S- 0 0 31 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.036 125.5 -95.0-130.9 24.1 15.1 -28.1 26.4 30 30 A G T < 5 + 0 0 38 -3,-1.2 -25,-0.6 1,-0.2 2,-0.3 0.644 69.8 150.5 75.3 18.6 12.6 -28.9 23.6 31 31 A F E < +b 5 0A 6 -5,-2.0 -1,-0.2 1,-0.1 -25,-0.2 -0.660 10.4 166.3 -76.8 137.4 14.8 -28.3 20.6 32 32 A S E + 0 0 27 -27,-2.3 26,-3.2 -2,-0.3 2,-0.4 0.183 49.7 70.9-138.6 14.6 13.7 -30.6 17.7 33 33 A R E -bc 6 58A 1 -28,-1.1 -26,-1.7 24,-0.3 2,-0.4 -0.998 55.0-163.8-139.1 139.5 15.5 -29.2 14.6 34 34 A I E -bc 7 59A 2 24,-3.6 26,-2.9 -2,-0.4 2,-0.6 -0.990 7.8-160.1-125.0 132.9 19.2 -29.2 13.5 35 35 A F E -bc 8 60A 7 -28,-2.7 -26,-2.5 -2,-0.4 2,-0.4 -0.952 22.2-173.2-102.4 121.0 21.0 -27.1 10.9 36 36 A T E -bc 9 61A 5 24,-2.9 26,-3.1 -2,-0.6 2,-0.5 -0.951 11.2-152.4-126.2 146.3 24.2 -28.8 9.8 37 37 A C E - c 0 62A 13 -28,-1.4 2,-0.8 -2,-0.4 -25,-0.4 -0.942 8.4-167.3-124.4 119.3 27.0 -27.6 7.6 38 38 A L E + c 0 63A 27 24,-2.8 26,-2.0 -2,-0.5 29,-0.2 -0.890 21.3 160.9-106.4 101.9 29.4 -29.6 5.5 39 39 A L 0 0 32 -2,-0.8 -1,-0.2 1,-0.2 27,-0.1 0.856 360.0 360.0 -90.4 -40.4 32.1 -27.2 4.4 40 40 A S 0 0 111 26,-0.0 -1,-0.2 27,-0.0 -28,-0.0 -0.977 360.0 360.0-137.3 360.0 35.0 -29.5 3.4 41 ! 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 42 49 A V > 0 0 111 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -65.5 30.5 -40.0 6.2 43 50 A A H > + 0 0 76 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.802 360.0 47.2 -59.8 -34.5 30.4 -42.4 9.1 44 51 A E H > S+ 0 0 111 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.878 111.9 48.3 -77.8 -40.9 30.8 -39.7 11.8 45 52 A F H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.860 113.0 52.7 -57.5 -37.1 28.2 -37.4 10.1 46 53 A K H X S+ 0 0 77 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.849 109.9 46.1 -67.0 -38.8 26.2 -40.7 10.2 47 54 A E H X S+ 0 0 85 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.957 114.6 46.5 -67.5 -53.3 26.8 -41.2 13.9 48 55 A I H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.920 114.8 47.5 -53.1 -49.3 26.0 -37.6 14.8 49 56 A I H X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.843 110.6 52.0 -65.0 -35.6 22.8 -37.6 12.6 50 57 A N H X S+ 0 0 70 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.888 108.7 50.1 -66.5 -41.0 21.7 -41.0 14.1 51 58 A H H X S+ 0 0 46 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.913 111.3 50.8 -62.1 -41.6 22.1 -39.5 17.6 52 59 A A H <>S+ 0 0 1 -4,-2.2 5,-2.0 1,-0.2 3,-0.4 0.900 110.0 48.3 -59.0 -46.4 20.0 -36.6 16.4 53 60 A K H ><5S+ 0 0 115 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.780 106.6 56.6 -69.1 -28.7 17.3 -38.9 15.0 54 61 A D H 3<5S+ 0 0 103 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.740 107.6 50.5 -69.9 -25.5 17.2 -40.9 18.3 55 62 A N T 3<5S- 0 0 54 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 -0.027 121.0-111.0-101.9 27.3 16.5 -37.6 20.0 56 63 A N T < 5 + 0 0 139 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.809 64.6 153.4 49.6 43.5 13.6 -36.8 17.6 57 64 A M < - 0 0 5 -5,-2.0 2,-0.4 -8,-0.2 -24,-0.3 -0.890 44.9-130.2-109.8 128.8 15.5 -33.9 15.8 58 65 A E E -c 33 0A 21 -26,-3.2 -24,-3.6 -2,-0.5 2,-0.6 -0.626 26.0-148.3 -75.3 123.3 14.8 -32.9 12.2 59 66 A V E -c 34 0A 1 -2,-0.4 23,-2.9 21,-0.2 24,-1.3 -0.852 15.2-173.8-105.9 116.9 18.1 -32.7 10.3 60 67 A I E -cd 35 83A 1 -26,-2.9 -24,-2.9 -2,-0.6 2,-0.5 -0.945 14.3-151.5-107.5 119.8 18.7 -30.2 7.5 61 68 A L E -cd 36 84A 0 22,-2.6 24,-2.4 -2,-0.6 2,-0.6 -0.782 11.0-167.0 -92.7 127.6 22.0 -30.5 5.6 62 69 A D E -c 37 0A 23 -26,-3.1 -24,-2.8 -2,-0.5 2,-0.4 -0.950 17.2-176.7-107.7 109.1 23.8 -27.6 3.9 63 70 A V E -c 38 0A 16 -2,-0.6 -24,-0.2 22,-0.4 -26,-0.0 -0.905 30.5-113.8-110.3 132.3 26.5 -29.1 1.7 64 71 A A > - 0 0 32 -26,-2.0 3,-1.5 -2,-0.4 -2,-0.0 -0.491 20.1-135.7 -62.5 122.0 28.9 -26.9 -0.3 65 72 A P T 3 S+ 0 0 113 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.533 101.6 62.6 -58.0 -7.5 28.3 -27.4 -4.1 66 73 A A T 3 S+ 0 0 97 1,-0.2 2,-1.6 -27,-0.1 -27,-0.1 0.796 83.6 76.9 -84.8 -32.3 32.1 -27.7 -4.5 67 74 A V < 0 0 66 -3,-1.5 -1,-0.2 1,-0.2 -3,-0.1 -0.267 360.0 360.0 -85.8 52.3 32.6 -30.8 -2.4 68 75 A F 0 0 177 -2,-1.6 -1,-0.2 -3,-0.2 -2,-0.1 0.470 360.0 360.0-123.8 360.0 31.3 -33.5 -4.9 69 ! 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 70 82 A Y 0 0 274 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-107.9 23.6 -34.2 -9.1 71 83 A S + 0 0 69 1,-0.1 2,-0.3 2,-0.1 0, 0.0 -0.427 360.0 105.4 -99.0 52.9 19.9 -34.9 -8.4 72 84 A D > + 0 0 123 -2,-0.4 3,-0.8 29,-0.0 4,-0.1 -0.837 48.0 179.0-113.7 83.7 20.6 -38.3 -7.0 73 85 A L T 3> + 0 0 7 -2,-0.3 4,-1.3 1,-0.2 3,-0.5 0.200 47.3 110.9 -75.9 20.6 19.9 -37.0 -3.4 74 86 A S H 3> + 0 0 42 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.851 66.1 62.2 -63.7 -39.8 20.6 -40.6 -2.1 75 87 A F H <> S+ 0 0 92 -3,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.854 105.1 47.6 -55.4 -38.4 23.8 -39.6 -0.4 76 88 A F H >>S+ 0 0 22 -3,-0.5 5,-1.8 2,-0.2 4,-1.0 0.847 111.5 51.4 -71.5 -34.6 21.9 -37.2 1.9 77 89 A A H <5S+ 0 0 29 -4,-1.3 3,-0.5 1,-0.2 -2,-0.2 0.915 105.5 55.0 -64.3 -45.6 19.3 -40.0 2.5 78 90 A E H <5S+ 0 0 138 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.6 54.1 -61.1 -33.0 22.1 -42.5 3.5 79 91 A L H <5S- 0 0 4 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.840 117.8-114.1 -66.4 -35.1 23.4 -40.0 6.1 80 92 A G T <5 + 0 0 26 -4,-1.0 -21,-0.2 -3,-0.5 -3,-0.2 0.551 59.9 157.0 105.8 14.5 19.9 -39.8 7.7 81 93 A A < - 0 0 8 -5,-1.8 -1,-0.3 1,-0.1 -21,-0.2 -0.391 37.9-150.1 -67.6 149.1 19.3 -36.2 6.8 82 94 A D S S- 0 0 64 -23,-2.9 24,-2.5 1,-0.3 2,-0.3 0.602 72.6 -13.7 -96.2 -17.3 15.6 -35.1 6.6 83 95 A G E -de 60 106A 0 -24,-1.3 -22,-2.6 22,-0.3 2,-0.3 -0.977 59.5-121.6-171.8 171.8 16.3 -32.4 4.0 84 96 A I E -de 61 107A 9 22,-2.3 24,-3.3 -2,-0.3 2,-0.4 -0.973 21.6-127.5-130.0 145.4 18.8 -30.2 2.2 85 97 A R E - e 0 108A 15 -24,-2.4 2,-0.7 -2,-0.3 -22,-0.4 -0.737 4.7-153.3 -91.7 137.9 19.2 -26.5 1.9 86 98 A L E + e 0 109A 14 22,-3.1 24,-0.8 -2,-0.4 -24,-0.1 -0.843 18.3 176.2-105.8 86.9 19.5 -24.7 -1.4 87 99 A D S S+ 0 0 69 -2,-0.7 2,-0.4 22,-0.1 -1,-0.2 0.880 75.2 31.8 -58.3 -43.8 21.5 -21.7 -0.3 88 100 A V S S- 0 0 110 -3,-0.1 -1,-0.1 21,-0.0 2,-0.1 -0.926 89.3-136.0-114.4 144.0 21.6 -20.5 -3.9 89 101 A G - 0 0 34 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.211 9.0-151.5 -91.3-178.4 18.8 -21.2 -6.4 90 102 A F - 0 0 112 -2,-0.1 -1,-0.1 -4,-0.1 -4,-0.0 -0.194 57.1 -52.3-125.7-140.8 18.6 -22.3 -10.0 91 103 A D S S- 0 0 88 -2,-0.1 2,-0.1 1,-0.1 -2,-0.0 0.324 72.6-111.0 -88.4 6.6 16.0 -21.7 -12.7 92 104 A G S > S+ 0 0 0 1,-0.1 4,-1.9 30,-0.0 32,-0.1 -0.124 110.3 79.4 87.8 -37.5 13.1 -22.8 -10.5 93 105 A L H > S+ 0 0 62 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.894 89.3 52.6 -66.2 -42.6 12.6 -26.0 -12.6 94 106 A T H > S+ 0 0 43 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 109.5 49.4 -60.1 -46.2 15.5 -27.8 -10.9 95 107 A E H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.923 108.4 54.3 -55.1 -50.4 13.9 -27.0 -7.5 96 108 A A H < S+ 0 0 1 -4,-1.9 31,-0.6 1,-0.2 3,-0.5 0.881 108.7 47.5 -51.0 -48.1 10.5 -28.3 -8.7 97 109 A K H >< S+ 0 0 119 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.774 105.9 59.3 -68.1 -29.2 12.0 -31.7 -9.8 98 110 A M H >< S+ 0 0 11 -4,-1.5 3,-1.5 -3,-0.3 -1,-0.2 0.782 93.7 64.5 -70.3 -28.2 13.9 -32.1 -6.5 99 111 A T T 3< S+ 0 0 4 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.655 96.3 60.4 -69.0 -16.3 10.6 -31.9 -4.5 100 112 A N T < S+ 0 0 96 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.099 76.2 141.9 -95.7 19.1 9.7 -35.2 -6.3 101 113 A N X - 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