==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 12-APR-12 4AQ1 . COMPND 2 MOLECULE: SBSB PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR E.BARANOVA,H.REMAUT . 1596 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76009.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 962 60.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 516 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 17 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 137 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 7 1 4 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 PARALLEL BRIDGES PER LADDER . 17 8 14 19 9 11 5 6 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 15 9 6 0 4 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 1 202 A A 0 0 99 0, 0.0 75,-0.3 0, 0.0 78,-0.1 0.000 360.0 360.0 360.0 105.9 -45.4 -35.8 11.4 2 203 A V - 0 0 67 73,-0.1 19,-0.1 1,-0.1 78,-0.1 -0.898 360.0 -89.3-114.4 120.0 -45.3 -37.0 7.8 3 204 A P + 0 0 1 0, 0.0 2,-0.3 0, 0.0 79,-0.1 0.202 53.5 167.0 -21.5 115.5 -42.4 -36.5 5.4 4 205 A E - 0 0 100 18,-0.1 17,-2.0 77,-0.1 2,-0.7 -0.967 39.4-111.0-135.4 152.5 -42.6 -33.2 3.5 5 206 A I E +A 20 0A 38 -2,-0.3 15,-0.2 15,-0.2 3,-0.1 -0.757 37.8 167.6 -90.3 109.8 -40.0 -31.4 1.3 6 207 A V E + 0 0 68 13,-2.2 2,-0.3 -2,-0.7 14,-0.2 0.862 62.9 12.1 -89.9 -40.9 -38.9 -28.1 3.1 7 208 A E E -A 19 0A 110 12,-1.3 12,-2.3 2,-0.0 2,-0.3 -0.976 49.2-171.7-140.1 150.6 -35.8 -27.0 1.1 8 209 A V E +A 18 0A 21 -2,-0.3 2,-0.5 10,-0.2 81,-0.2 -0.866 18.7 172.8-143.4 105.9 -34.0 -28.0 -2.2 9 210 A T E -A 17 0A 52 8,-2.0 8,-2.5 -2,-0.3 2,-1.3 -0.970 34.6-132.3-122.8 121.0 -30.6 -26.4 -2.7 10 211 A A E -A 16 0A 23 79,-0.6 6,-0.2 -2,-0.5 81,-0.1 -0.595 24.7-176.1 -62.2 95.6 -28.1 -27.1 -5.5 11 212 A V E - 0 0 33 -2,-1.3 2,-0.2 4,-0.8 5,-0.2 0.681 69.7 -15.6 -72.3 -23.6 -24.9 -27.4 -3.3 12 213 A N E > S-A 15 0A 9 3,-1.6 3,-0.6 -3,-0.1 512,-0.2 -0.909 88.7 -76.9-157.9-171.0 -22.8 -27.9 -6.5 13 214 A S T 3 S+ 0 0 18 510,-1.8 47,-2.5 -2,-0.2 45,-0.1 0.604 129.0 27.2 -74.3 -11.4 -23.3 -28.7 -10.2 14 215 A T T 3 S+ 0 0 48 45,-0.2 42,-2.8 509,-0.2 2,-0.4 0.307 114.4 70.0-125.7 12.8 -23.9 -32.5 -9.7 15 216 A T E < -AB 12 55A 9 -3,-0.6 -3,-1.6 40,-0.2 -4,-0.8 -0.995 50.9-174.9-140.9 133.9 -25.3 -32.5 -6.1 16 217 A V E -AB 10 54A 0 38,-2.6 38,-2.5 -2,-0.4 2,-0.5 -0.987 16.6-144.1-132.9 131.1 -28.5 -31.3 -4.5 17 218 A K E -AB 9 53A 89 -8,-2.5 -8,-2.0 -2,-0.4 2,-0.5 -0.860 13.6-163.8 -93.1 124.5 -29.5 -31.3 -0.7 18 219 A V E -AB 8 52A 0 34,-2.6 34,-2.5 -2,-0.5 2,-0.4 -0.969 6.2-162.3-110.3 125.4 -33.1 -32.1 -0.0 19 220 A T E -AB 7 51A 30 -12,-2.3 -13,-2.2 -2,-0.5 -12,-1.3 -0.878 7.6-155.2-109.1 138.6 -34.3 -31.1 3.5 20 221 A F E -A 5 0A 3 30,-2.7 -15,-0.2 -2,-0.4 4,-0.0 -0.649 28.0-115.4-113.0 167.4 -37.5 -32.5 5.1 21 222 A N S S+ 0 0 86 -17,-2.0 2,-0.2 -2,-0.2 -16,-0.1 0.861 96.7 9.4 -58.1 -41.8 -40.1 -31.6 7.8 22 223 A T S S- 0 0 26 -18,-0.2 -2,-0.2 27,-0.1 2,-0.2 -0.661 95.6 -69.0-131.7 178.7 -39.1 -34.6 10.0 23 224 A Q - 0 0 89 -2,-0.2 53,-0.9 -20,-0.0 2,-0.3 -0.544 55.4-155.6 -68.3 143.6 -36.5 -37.3 10.5 24 225 A I B -D 75 0B 2 25,-1.8 51,-0.2 51,-0.2 2,-0.1 -0.813 13.9-101.7-126.3 166.2 -36.7 -40.1 7.8 25 226 A A - 0 0 19 49,-1.4 49,-0.2 -2,-0.3 51,-0.1 -0.429 59.2 -66.9 -84.1 160.1 -35.9 -43.7 7.2 26 227 A D - 0 0 131 -2,-0.1 2,-0.3 47,-0.1 -1,-0.2 -0.129 61.1-175.7 -58.3 137.9 -32.8 -45.0 5.3 27 228 A V - 0 0 22 -3,-0.1 18,-0.4 16,-0.1 2,-0.2 -0.844 15.2-175.7-137.4 154.6 -32.9 -44.2 1.6 28 229 A D > - 0 0 73 -2,-0.3 3,-2.0 16,-0.1 4,-0.2 -0.803 52.6 -68.7-139.2-171.3 -30.9 -44.8 -1.7 29 230 A F G > S+ 0 0 115 1,-0.3 3,-1.6 -2,-0.2 11,-0.1 0.760 120.3 68.2 -50.3 -32.4 -31.0 -43.8 -5.4 30 231 A T G 3 S+ 0 0 97 1,-0.3 -1,-0.3 13,-0.1 41,-0.1 0.674 92.6 63.5 -64.8 -18.8 -34.2 -45.8 -6.1 31 232 A N G < S+ 0 0 28 -3,-2.0 40,-2.4 39,-0.1 2,-0.3 0.530 100.7 53.3 -83.2 -8.6 -36.1 -43.3 -3.9 32 233 A F E < -E 70 0C 13 -3,-1.6 2,-0.3 38,-0.2 8,-0.2 -0.933 53.5-178.4-134.1 153.8 -35.4 -40.2 -6.1 33 234 A A E -E 69 0C 53 36,-1.4 36,-2.2 -2,-0.3 2,-0.3 -0.965 7.9-159.1-146.3 159.1 -35.8 -39.0 -9.7 34 235 A I E -E 68 0C 15 4,-0.5 34,-0.2 -2,-0.3 3,-0.1 -0.999 12.4-137.4-146.4 134.7 -35.0 -35.8 -11.7 35 236 A D S > S+ 0 0 65 32,-1.2 3,-0.9 -2,-0.3 34,-0.0 -0.040 71.9 65.3 -83.0-174.7 -36.4 -34.4 -14.9 36 237 A N T 3 S- 0 0 82 1,-0.2 -1,-0.2 30,-0.1 3,-0.1 0.817 126.5 -59.5 65.8 34.9 -34.7 -32.7 -18.0 37 238 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.2 -3,-0.1 2,-0.2 0.388 102.8 127.9 83.1 -1.6 -32.7 -35.9 -18.9 38 239 A L < - 0 0 7 -3,-0.9 -4,-0.5 -4,-0.1 2,-0.3 -0.590 41.0-157.6 -90.1 150.0 -30.8 -36.3 -15.7 39 240 A T - 0 0 86 -2,-0.2 18,-2.6 -6,-0.1 2,-0.4 -0.955 22.0-111.1-128.0 147.1 -30.7 -39.5 -13.7 40 241 A V E -C 56 0A 23 -2,-0.3 16,-0.2 -8,-0.2 3,-0.1 -0.633 27.6-179.9 -86.0 132.1 -29.9 -40.0 -10.0 41 242 A T E - 0 0 79 14,-2.9 2,-0.3 -2,-0.4 -12,-0.2 0.703 63.6 -4.0-101.4 -31.4 -26.7 -41.7 -9.2 42 243 A K E -C 55 0A 114 13,-1.1 13,-2.1 -13,-0.1 -1,-0.3 -0.975 49.0-161.4-171.4 148.9 -26.7 -41.8 -5.3 43 244 A A E -C 54 0A 9 -2,-0.3 2,-0.5 11,-0.2 11,-0.2 -0.937 12.9-175.9-150.1 117.4 -28.7 -40.7 -2.3 44 245 A T E -C 53 0A 67 9,-2.6 9,-2.5 -2,-0.3 2,-0.2 -0.972 18.3-139.6-128.8 119.0 -27.3 -40.5 1.2 45 246 A L E -C 52 0A 28 -2,-0.5 7,-0.2 -18,-0.4 -19,-0.0 -0.519 24.8-126.5 -71.0 137.0 -29.1 -39.6 4.5 46 247 A S > - 0 0 35 5,-2.3 3,-1.0 -2,-0.2 -1,-0.1 -0.222 25.6-106.5 -70.7 169.7 -27.2 -37.3 6.9 47 248 A R T 3 S+ 0 0 223 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.798 122.1 64.8 -66.5 -27.1 -26.6 -38.3 10.6 48 249 A D T 3 S- 0 0 87 1,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.314 98.7-143.5 -71.8 10.8 -29.3 -35.6 11.5 49 250 A K S < S+ 0 0 82 -3,-1.0 -25,-1.8 1,-0.2 -1,-0.1 0.456 77.5 101.3 24.9 16.7 -31.7 -37.9 9.5 50 251 A K S S+ 0 0 88 -27,-0.2 -30,-2.7 -31,-0.1 2,-0.3 0.566 77.6 31.4 -99.3 -14.3 -33.2 -34.6 8.3 51 252 A S E -B 19 0A 16 -32,-0.2 -5,-2.3 -27,-0.1 2,-0.4 -0.957 60.5-144.4-144.9 165.2 -31.7 -34.2 4.8 52 253 A V E -BC 18 45A 0 -34,-2.5 -34,-2.6 -2,-0.3 2,-0.6 -0.995 10.7-144.5-135.7 125.5 -30.5 -36.2 1.8 53 254 A E E -BC 17 44A 66 -9,-2.5 -9,-2.6 -2,-0.4 2,-0.5 -0.821 22.0-169.3 -88.7 124.2 -27.6 -35.5 -0.5 54 255 A V E -BC 16 43A 0 -38,-2.5 -38,-2.6 -2,-0.6 2,-0.4 -0.981 5.6-157.1-121.3 120.0 -28.6 -36.6 -4.0 55 256 A V E -BC 15 42A 31 -13,-2.1 -14,-2.9 -2,-0.5 -13,-1.1 -0.805 9.5-147.6-101.0 135.8 -25.9 -36.8 -6.7 56 257 A V E - C 0 40A 4 -42,-2.8 -16,-0.2 -2,-0.4 4,-0.1 -0.693 19.7-118.9-105.6 158.9 -27.0 -36.6 -10.4 57 258 A N S S+ 0 0 76 -18,-2.6 -17,-0.1 -2,-0.3 -1,-0.1 0.639 92.7 20.0 -68.7 -18.5 -25.3 -38.2 -13.3 58 259 A K S S- 0 0 121 -19,-0.2 -2,-0.1 -45,-0.1 -1,-0.0 -0.968 95.5 -80.1-158.1 144.8 -24.4 -35.1 -15.3 59 260 A P - 0 0 78 0, 0.0 -45,-0.2 0, 0.0 2,-0.1 -0.295 45.9-111.4 -63.4 139.7 -24.0 -31.3 -14.4 60 261 A F - 0 0 6 -47,-2.5 2,-0.3 -48,-0.1 -45,-0.0 -0.428 31.1-115.1 -58.5 136.7 -27.0 -29.1 -14.1 61 262 A T > - 0 0 92 -2,-0.1 3,-1.5 1,-0.1 29,-0.4 -0.585 40.6-102.1 -70.9 136.3 -27.4 -26.4 -16.8 62 263 A R T 3 S+ 0 0 93 -2,-0.3 29,-0.2 1,-0.2 3,-0.1 -0.455 103.2 8.9 -63.8 130.0 -27.1 -22.9 -15.2 63 264 A N T 3 S+ 0 0 99 27,-0.9 2,-0.4 1,-0.3 -1,-0.2 0.530 93.2 134.0 76.7 10.7 -30.5 -21.2 -14.7 64 265 A Q < - 0 0 77 -3,-1.5 26,-0.5 26,-0.2 2,-0.5 -0.768 54.0-132.7 -89.1 132.5 -32.5 -24.4 -15.6 65 266 A E E - F 0 89C 108 -2,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.764 28.4-174.5 -83.5 124.8 -35.4 -25.2 -13.3 66 267 A Y E - F 0 88C 3 22,-2.3 22,-1.8 -2,-0.5 2,-0.4 -0.791 16.7-141.6-112.6 159.7 -35.4 -28.9 -12.3 67 268 A T E - F 0 87C 23 -2,-0.3 -32,-1.2 20,-0.2 2,-0.3 -0.993 9.9-155.7-123.4 120.6 -38.0 -30.9 -10.3 68 269 A I E -EF 34 86C 0 18,-3.7 18,-2.3 -2,-0.4 2,-0.4 -0.734 8.9-157.2 -86.8 145.2 -36.9 -33.6 -7.8 69 270 A T E -EF 33 85C 38 -36,-2.2 -36,-1.4 -2,-0.3 2,-0.6 -0.994 1.4-159.0-125.6 124.6 -39.4 -36.3 -7.0 70 271 A A E -EF 32 84C 0 14,-2.1 14,-2.0 -2,-0.4 2,-0.3 -0.900 11.2-173.4-107.0 115.2 -39.2 -38.3 -3.8 71 272 A T + 0 0 87 -40,-2.4 11,-0.1 -2,-0.6 12,-0.1 -0.811 62.0 7.3-103.4 144.1 -41.0 -41.7 -3.7 72 273 A G S S+ 0 0 39 9,-0.4 2,-0.4 -2,-0.3 -1,-0.2 0.660 72.5 168.6 68.6 25.7 -41.4 -44.1 -0.7 73 274 A I - 0 0 1 -3,-0.2 8,-2.0 8,-0.2 2,-0.2 -0.584 20.0-152.3 -76.9 122.2 -40.1 -41.8 2.1 74 275 A K B -G 80 0D 103 -2,-0.4 -49,-1.4 6,-0.2 6,-0.2 -0.619 10.2-129.0 -92.9 154.5 -40.8 -43.2 5.6 75 276 A N B > -D 24 0B 26 4,-1.4 3,-0.7 -2,-0.2 -51,-0.2 -0.398 53.1 -50.9 -97.1 176.1 -41.2 -41.0 8.7 76 277 A L T 3 S- 0 0 101 -53,-0.9 -2,-0.1 -75,-0.3 -74,-0.1 0.565 120.1 -35.4 -5.7 -74.4 -39.7 -41.1 12.1 77 278 A K T 3 S+ 0 0 165 -52,-0.1 -1,-0.3 -54,-0.0 -53,-0.1 0.115 129.4 31.5-153.1 28.3 -40.5 -44.8 12.6 78 279 A G S < S+ 0 0 36 -3,-0.7 2,-0.2 1,-0.3 -2,-0.1 0.304 85.2 52.7-143.7 -87.7 -43.9 -45.5 10.9 79 280 A E - 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