==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 20-APR-08 3CVZ . COMPND 2 MOLECULE: S-LAYER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR D.ALBESA-JOVE,R.FAGAN . 979 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 232 23.7 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 . 72 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 4 0 0 0 0 0 0 0 4 4 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 0 0 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 . 11 10 10 4 6 0 4 0 4 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 . 8 8 0 8 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 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 2 A T 0 0 117 0, 0.0 3,-0.5 0, 0.0 843,-0.2 0.000 360.0 360.0 360.0 134.3 -28.1 -30.9 -81.6 2 3 A T + 0 0 68 1,-0.2 843,-0.1 841,-0.1 844,-0.0 -0.382 360.0 14.6 -57.2 122.6 -27.8 -33.2 -78.6 3 4 A G S S+ 0 0 58 841,-0.5 2,-0.5 1,-0.2 238,-0.3 0.977 76.5 141.9 73.4 59.0 -24.5 -32.5 -77.1 4 5 A T - 0 0 98 -3,-0.5 2,-0.6 236,-0.1 -1,-0.2 -0.971 27.6-168.3-122.1 117.4 -23.0 -29.3 -78.4 5 6 A Q E -a 242 0A 44 236,-1.0 238,-2.1 -2,-0.5 2,-0.4 -0.916 8.1-159.5-104.7 120.2 -21.2 -27.3 -75.8 6 7 A G E +a 243 0A 60 -2,-0.6 2,-0.4 236,-0.2 238,-0.2 -0.848 15.4 172.7-102.8 133.9 -20.4 -23.7 -76.9 7 8 A Y E -a 244 0A 137 236,-2.1 238,-2.5 -2,-0.4 2,-0.3 -0.983 4.6-177.4-128.9 146.0 -17.8 -21.5 -75.4 8 9 A T E -a 245 0A 107 -2,-0.4 2,-0.3 236,-0.2 238,-0.2 -0.921 6.2-177.5-145.6 118.3 -16.8 -18.1 -76.9 9 10 A V E -a 246 0A 44 236,-2.1 238,-1.4 -2,-0.3 5,-0.1 -0.861 26.6-103.0-122.8 156.9 -14.0 -15.9 -75.5 10 11 A V E > -a 247 0A 78 -2,-0.3 3,-1.6 236,-0.2 238,-0.2 -0.275 27.1-116.9 -77.5 153.8 -12.6 -12.5 -76.3 11 12 A K G > S+ 0 0 57 236,-1.2 3,-2.0 1,-0.3 4,-0.3 0.933 114.6 57.8 -53.1 -49.1 -9.3 -11.8 -78.1 12 13 A N G 3 S+ 0 0 149 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.640 108.0 49.1 -60.4 -13.3 -7.8 -10.1 -75.0 13 14 A D G <> S+ 0 0 90 -3,-1.6 4,-1.0 1,-0.1 3,-0.3 0.069 77.4 103.3-114.2 25.2 -8.4 -13.3 -73.1 14 15 A W H <> + 0 0 11 -3,-2.0 4,-2.5 1,-0.2 5,-0.4 0.885 65.4 70.5 -76.0 -37.3 -6.8 -15.9 -75.4 15 16 A K H > S+ 0 0 107 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.837 106.6 40.5 -46.4 -37.5 -3.5 -16.4 -73.5 16 17 A K H > S+ 0 0 158 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.845 111.1 55.2 -84.2 -37.5 -5.5 -18.2 -70.8 17 18 A A H X S+ 0 0 12 -4,-1.0 4,-1.8 2,-0.2 5,-0.2 0.951 111.8 43.4 -60.5 -51.7 -7.9 -20.1 -73.0 18 19 A V H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 3,-0.2 0.922 109.7 59.7 -59.7 -44.6 -5.1 -21.7 -75.0 19 20 A K H X S+ 0 0 96 -4,-1.3 4,-2.6 -5,-0.4 -1,-0.2 0.899 109.0 42.7 -46.1 -46.0 -3.3 -22.3 -71.7 20 21 A Q H X S+ 0 0 129 -4,-2.0 4,-1.4 2,-0.3 -1,-0.2 0.720 109.8 54.1 -87.0 -18.9 -6.2 -24.4 -70.5 21 22 A L H X S+ 0 0 13 -4,-1.8 4,-1.3 -3,-0.2 -1,-0.2 0.820 110.8 51.8 -72.6 -30.1 -6.6 -26.2 -73.8 22 23 A Q H >X S+ 0 0 29 -4,-2.8 4,-3.3 -5,-0.2 3,-0.7 0.975 107.5 47.8 -64.8 -55.6 -2.9 -27.0 -73.2 23 24 A D H 3X S+ 0 0 58 -4,-2.6 4,-2.5 1,-0.3 6,-0.3 0.876 107.9 57.6 -56.1 -37.2 -3.4 -28.3 -69.7 24 25 A G H 3<>S+ 0 0 7 -4,-1.4 6,-2.4 2,-0.2 5,-1.5 0.864 111.3 42.3 -59.4 -37.4 -6.2 -30.4 -71.1 25 26 A L H X<5S+ 0 0 0 -4,-1.3 3,-1.2 -3,-0.7 -2,-0.2 0.939 115.3 49.8 -69.9 -48.4 -3.7 -31.9 -73.5 26 27 A K H 3<5S+ 0 0 75 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.750 114.8 43.1 -63.7 -29.0 -1.0 -32.2 -70.8 27 28 A D T 3<5S- 0 0 26 -4,-2.5 65,-2.1 -5,-0.3 -1,-0.3 0.292 114.5-117.2-103.9 6.4 -3.3 -34.0 -68.3 28 29 A N T < 5S+ 0 0 33 -3,-1.2 -3,-0.2 63,-0.2 -4,-0.1 0.584 82.2 116.5 82.4 12.7 -4.7 -36.2 -71.0 29 30 A S < + 0 0 11 -5,-1.5 58,-2.6 -6,-0.3 2,-0.5 0.813 67.6 67.7 -78.0 -32.6 -8.4 -35.1 -71.0 30 31 A I E +B 86 0A 10 -6,-2.4 56,-0.3 56,-0.2 -2,-0.1 -0.778 54.2 178.6 -95.6 125.7 -8.2 -33.8 -74.6 31 32 A G E - 0 0 47 54,-2.6 2,-0.3 -2,-0.5 55,-0.2 0.818 68.7 -4.3 -91.3 -35.0 -7.7 -36.3 -77.3 32 33 A K E -B 85 0A 72 53,-1.5 53,-3.0 14,-0.1 2,-0.5 -0.974 50.1-156.8-161.7 138.9 -7.7 -33.9 -80.3 33 34 A I E -BC 84 45A 0 12,-2.3 12,-2.7 -2,-0.3 2,-0.5 -0.972 8.7-161.9-120.2 119.6 -8.2 -30.3 -81.2 34 35 A T E -BC 83 44A 32 49,-2.4 49,-3.3 -2,-0.5 2,-0.4 -0.867 17.1-156.0 -91.2 126.6 -9.2 -29.3 -84.7 35 36 A V E -BC 82 43A 0 8,-3.3 7,-2.5 -2,-0.5 8,-1.5 -0.896 10.6-171.8-109.8 136.4 -8.4 -25.6 -85.3 36 37 A S E -BC 81 41A 22 45,-2.3 45,-2.8 -2,-0.4 2,-0.7 -0.979 17.6-148.2-130.8 137.9 -10.1 -23.4 -87.8 37 38 A F E > S-BC 80 40A 52 3,-2.1 3,-3.8 -2,-0.4 43,-0.2 -0.929 81.8 -26.1-102.6 108.4 -9.6 -19.9 -89.1 38 39 A N T 3 S- 0 0 58 41,-1.4 -1,-0.1 -2,-0.7 42,-0.1 0.602 130.0 -55.7 45.8 46.2 -12.8 -18.1 -90.1 39 40 A D T 3 S+ 0 0 91 40,-0.0 2,-0.6 39,-0.0 -1,-0.5 -0.323 112.9 113.8-128.2 74.1 -13.6 -20.9 -90.5 40 41 A G E < S-C 37 0A 45 -3,-3.8 -3,-2.1 1,-0.0 -5,-0.0 -0.920 71.1-106.0-102.9 122.8 -11.4 -23.0 -92.8 41 42 A V E +C 36 0A 85 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.172 35.7 179.0 -53.0 127.3 -9.6 -25.7 -91.0 42 43 A V E - 0 0 62 -7,-2.5 2,-0.3 1,-0.3 -6,-0.2 0.792 58.1 -46.8 -93.4 -40.5 -5.9 -25.0 -90.6 43 44 A G E -C 35 0A 18 -8,-1.5 -8,-3.3 2,-0.0 2,-0.4 -0.992 43.2-105.2 179.2 172.3 -4.9 -28.1 -88.7 44 45 A E E -C 34 0A 106 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.957 23.2-156.2-121.7 135.2 -5.4 -30.8 -86.0 45 46 A V E +C 33 0A 0 -12,-2.7 -12,-2.3 -2,-0.4 14,-0.1 -0.903 28.0 139.1-111.5 137.6 -3.3 -31.2 -82.8 46 47 A A - 0 0 40 -2,-0.4 2,-0.1 -14,-0.2 -14,-0.1 -0.934 55.5 -93.6-170.1 148.1 -2.9 -34.4 -80.8 47 48 A P - 0 0 17 0, 0.0 3,-0.2 0, 0.0 9,-0.1 -0.506 31.4-135.7 -64.2 139.8 -0.3 -36.4 -79.0 48 49 A K S S+ 0 0 198 1,-0.3 2,-0.4 -2,-0.1 8,-0.0 0.871 100.7 16.2 -69.3 -35.2 1.3 -38.9 -81.4 49 50 A S S > S- 0 0 50 3,-0.2 3,-0.9 1,-0.1 -1,-0.3 -0.986 76.4-155.8-131.0 125.6 1.0 -41.4 -78.6 50 51 A A T 3 S+ 0 0 48 -2,-0.4 -2,-0.1 1,-0.2 -1,-0.1 0.627 86.2 68.6 -80.5 -11.8 -1.3 -40.4 -75.8 51 52 A N T 3 S+ 0 0 93 1,-0.0 2,-0.5 -4,-0.0 -1,-0.2 0.188 88.9 84.4 -89.7 18.2 0.3 -42.5 -73.1 52 53 A K <> - 0 0 90 -3,-0.9 4,-2.1 1,-0.1 -3,-0.2 -0.969 64.1-153.6-130.6 124.4 3.4 -40.4 -73.2 53 54 A K H > S+ 0 0 71 -2,-0.5 4,-3.0 1,-0.2 5,-0.3 0.882 98.5 57.7 -54.8 -45.3 4.2 -37.1 -71.4 54 55 A A H > S+ 0 0 70 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.944 108.4 46.3 -54.6 -50.0 6.6 -36.0 -74.0 55 56 A D H > S+ 0 0 36 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.890 111.6 51.1 -58.8 -43.7 3.9 -36.3 -76.8 56 57 A R H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.935 113.8 44.6 -63.5 -43.2 1.3 -34.5 -74.7 57 58 A D H X S+ 0 0 45 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.935 113.1 50.5 -64.4 -46.3 3.8 -31.7 -74.0 58 59 A A H X S+ 0 0 51 -4,-3.4 4,-2.6 -5,-0.3 -2,-0.2 0.938 110.9 50.5 -56.4 -42.6 4.8 -31.6 -77.7 59 60 A A H X S+ 0 0 3 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.889 109.9 49.4 -64.8 -39.3 1.2 -31.4 -78.7 60 61 A A H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.922 113.4 45.2 -62.6 -44.9 0.5 -28.5 -76.3 61 62 A E H X S+ 0 0 120 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.861 109.6 56.5 -73.5 -32.9 3.5 -26.5 -77.5 62 63 A K H X S+ 0 0 107 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.888 104.7 53.0 -56.9 -42.7 2.4 -27.4 -81.1 63 64 A L H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 5,-0.3 0.880 106.9 53.2 -62.1 -40.5 -1.0 -25.8 -80.3 64 65 A Y H >X S+ 0 0 75 -4,-1.7 4,-3.7 1,-0.2 3,-0.9 0.987 109.9 44.2 -59.0 -60.0 0.6 -22.6 -79.1 65 66 A N H 3X S+ 0 0 88 -4,-2.1 4,-0.6 1,-0.3 -1,-0.2 0.869 109.1 59.3 -57.3 -37.2 2.7 -22.0 -82.2 66 67 A L H 3< S+ 0 0 56 -4,-1.9 4,-0.3 -5,-0.2 -1,-0.3 0.851 125.4 15.0 -56.9 -41.5 -0.2 -22.8 -84.5 67 68 A V H < S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.791 102.6 71.8 -79.2 -31.2 -4.7 -14.7 -82.4 72 73 A D H 3< S+ 0 0 85 -4,-1.3 -2,-0.2 -5,-0.5 -1,-0.2 0.707 120.6 16.5 -59.9 -20.0 -2.0 -12.2 -81.5 73 74 A K T 3< S+ 0 0 150 -4,-0.9 -1,-0.3 -3,-0.3 2,-0.2 -0.158 85.3 174.3-144.9 41.4 -3.4 -9.9 -84.2 74 75 A L < - 0 0 3 -3,-1.6 3,-0.1 1,-0.1 -3,-0.1 -0.337 32.2-124.9 -51.9 116.0 -6.8 -11.4 -84.8 75 76 A G > - 0 0 30 -5,-0.2 3,-1.3 -2,-0.2 2,-0.3 0.040 35.5 -72.6 -60.9 174.4 -8.5 -9.1 -87.3 76 77 A D T 3 S+ 0 0 146 1,-0.3 -1,-0.2 171,-0.1 3,-0.1 -0.532 118.1 5.9 -73.0 130.0 -11.8 -7.4 -86.8 77 78 A G T 3 S+ 0 0 52 171,-0.6 -1,-0.3 -2,-0.3 2,-0.2 0.617 107.0 120.9 73.2 12.4 -14.8 -9.8 -87.1 78 79 A D < - 0 0 61 -3,-1.3 170,-0.6 -4,-0.1 2,-0.3 -0.546 39.1-174.8-103.2 170.7 -12.5 -12.7 -87.4 79 80 A Y E - D 0 247A 48 -2,-0.2 -41,-1.4 168,-0.2 2,-0.4 -0.992 25.8-138.1-159.6 161.7 -12.1 -15.9 -85.3 80 81 A V E -BD 37 246A 0 166,-1.3 166,-1.8 -2,-0.3 2,-0.4 -0.996 25.3-152.4-125.1 124.1 -10.3 -19.1 -84.5 81 82 A D E -BD 36 245A 12 -45,-2.8 -45,-2.3 -2,-0.4 2,-0.6 -0.816 4.5-160.6 -98.0 134.3 -12.4 -22.2 -83.7 82 83 A F E -BD 35 244A 2 162,-2.3 162,-2.4 -2,-0.4 2,-1.1 -0.948 2.0-163.2-112.5 108.4 -11.1 -25.0 -81.4 83 84 A S E -BD 34 243A 39 -49,-3.3 -49,-2.4 -2,-0.6 2,-0.8 -0.817 19.3-163.5 -86.4 100.7 -13.1 -28.2 -81.9 84 85 A V E -BD 33 242A 3 158,-2.7 158,-2.0 -2,-1.1 2,-0.6 -0.799 12.0-164.0 -97.3 107.9 -12.0 -29.9 -78.7 85 86 A D E +BD 32 241A 58 -53,-3.0 -54,-2.6 -2,-0.8 -53,-1.5 -0.828 27.8 163.7 -85.9 120.8 -12.6 -33.7 -78.5 86 87 A Y E -BD 30 240A 12 154,-2.2 154,-2.2 -2,-0.6 2,-0.2 -0.887 32.0-168.7-136.8 164.1 -12.2 -34.6 -74.8 87 88 A N E > - 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