==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-MAY-13 4KSN . COMPND 2 MOLECULE: SDBC; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR J.OSIPIUK,E.EVDOKIMOVA,A.SAVCHENKO,A.JOACHIMIAK,MIDWEST CENT . 243 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14976.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 55.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 37.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 6 1 4 0 1 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 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 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 1 337 A D 0 0 144 0, 0.0 2,-0.1 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 98.4 28.6 45.7 25.3 2 338 A T - 0 0 99 62,-0.2 62,-1.8 63,-0.1 2,-0.3 -0.282 360.0-126.9 -76.3 129.6 27.3 42.3 26.6 3 339 A H E +A 63 0A 98 60,-0.2 60,-0.3 1,-0.2 -1,-0.1 -0.518 30.5 171.9 -74.4 126.8 29.1 40.6 29.5 4 340 A L E - 0 0 70 58,-3.3 2,-0.3 1,-0.4 59,-0.2 0.833 56.1 -19.3-103.9 -46.5 30.1 37.0 28.7 5 341 A A E -A 62 0A 27 57,-1.6 57,-2.6 2,-0.0 -1,-0.4 -0.958 53.1-122.4-159.0 164.9 32.2 35.7 31.6 6 342 A D E -A 61 0A 36 -2,-0.3 2,-0.3 55,-0.2 20,-0.3 -0.910 20.8-171.4-114.0 152.2 34.4 36.7 34.6 7 343 A L E -A 60 0A 27 53,-2.1 53,-3.2 -2,-0.3 2,-0.4 -0.865 12.6-141.4-134.5 161.2 38.0 35.8 35.2 8 344 A Y E -AB 59 24A 6 16,-2.5 16,-2.6 -2,-0.3 2,-0.6 -0.998 6.3-146.4-132.6 135.0 40.1 36.4 38.3 9 345 A L E -AB 58 23A 29 49,-2.7 49,-1.9 -2,-0.4 2,-0.5 -0.911 27.5-169.3 -96.7 116.8 43.7 37.5 38.8 10 346 A L E +AB 57 22A 0 12,-2.3 12,-2.1 -2,-0.6 2,-0.4 -0.943 11.2 175.0-117.1 133.3 44.8 35.7 41.9 11 347 A K E +AB 56 21A 66 45,-2.2 45,-2.9 -2,-0.5 2,-0.3 -0.989 3.7 173.9-141.2 137.6 48.0 36.4 43.7 12 348 A Y E -AB 55 20A 6 8,-2.0 8,-2.3 -2,-0.4 2,-0.4 -0.998 33.1-117.7-150.3 142.1 49.2 35.0 47.0 13 349 A D E - B 0 19A 104 41,-0.5 6,-0.2 -2,-0.3 -2,-0.0 -0.682 20.5-155.6 -78.4 129.3 52.4 35.1 49.2 14 350 A T - 0 0 12 4,-2.3 91,-0.3 -2,-0.4 -1,-0.2 0.927 35.0-114.7 -70.7 -46.6 53.8 31.6 49.5 15 351 A G S S+ 0 0 58 3,-0.5 4,-0.1 89,-0.1 89,-0.1 0.336 101.4 83.9 117.9 3.9 55.7 32.1 52.8 16 352 A L S S- 0 0 124 2,-0.4 3,-0.1 86,-0.0 -3,-0.0 0.019 115.5 -86.0-126.6 21.9 59.0 31.6 51.1 17 353 A G S S+ 0 0 77 1,-0.2 2,-0.4 0, 0.0 -4,-0.0 0.634 101.0 87.6 83.4 15.5 59.7 35.1 49.8 18 354 A V - 0 0 39 2,-0.0 -4,-2.3 -6,-0.0 -3,-0.5 -0.992 61.6-143.8-141.3 147.2 57.9 34.8 46.5 19 355 A Y E -B 13 0A 142 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.895 15.5-140.3-105.9 154.4 54.3 35.4 45.4 20 356 A E E -B 12 0A 2 -8,-2.3 -8,-2.0 -2,-0.3 2,-0.4 -0.849 12.5-158.3-116.1 145.0 52.5 33.3 42.8 21 357 A S E +B 11 0A 11 75,-0.3 75,-2.8 -2,-0.3 2,-0.3 -0.973 12.5 173.6-129.3 143.7 50.1 34.7 40.2 22 358 A F E -BC 10 95A 0 -12,-2.1 -12,-2.3 -2,-0.4 2,-0.5 -0.973 28.6-137.9-147.5 147.3 47.4 32.9 38.2 23 359 A I E -BC 9 94A 13 71,-2.4 71,-2.8 -2,-0.3 2,-0.3 -0.976 43.4-170.6-110.1 127.6 44.7 33.9 35.7 24 360 A C E -BC 8 93A 2 -16,-2.6 -16,-2.5 -2,-0.5 2,-0.5 -0.909 35.6-147.7-135.2 144.3 41.6 32.0 36.8 25 361 A K E - C 0 92A 64 67,-3.1 67,-2.8 -2,-0.3 2,-0.2 -0.967 35.5-127.1-105.7 123.3 38.1 30.9 35.9 26 362 A Y E - C 0 91A 15 -2,-0.5 2,-1.2 -20,-0.3 65,-0.3 -0.446 17.6-126.0 -70.2 131.8 36.0 30.4 39.0 27 363 A L + 0 0 20 63,-2.7 63,-0.3 -2,-0.2 2,-0.3 -0.710 66.0 94.5 -85.3 100.5 34.3 27.0 39.2 28 364 A E + 0 0 39 -2,-1.2 2,-0.2 160,-0.2 164,-0.0 -0.859 40.3 53.5-151.5-170.1 30.6 27.8 39.7 29 365 A D + 0 0 61 -2,-0.3 2,-2.5 1,-0.1 4,-0.1 -0.386 23.8 138.6 85.5-132.6 27.2 28.4 38.3 30 366 A S S S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.2 158,-0.0 -0.526 111.2 30.4 63.2 -59.5 25.2 26.2 36.1 31 367 A N S S- 0 0 96 -2,-2.5 -1,-0.2 2,-0.1 -3,-0.0 0.841 86.7-168.2 -88.3 -42.3 22.6 27.5 38.6 32 368 A D + 0 0 103 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.709 23.2 175.3 62.4 23.8 24.2 31.0 39.4 33 369 A Y - 0 0 177 -4,-0.1 -1,-0.1 1,-0.1 -4,-0.1 -0.132 41.6 -83.5 -62.4 155.3 21.8 31.4 42.4 34 370 A I - 0 0 131 1,-0.1 2,-0.4 13,-0.1 -1,-0.1 -0.244 53.2-136.1 -51.1 148.4 22.0 34.4 44.8 35 371 A A + 0 0 21 -3,-0.1 11,-2.7 8,-0.0 2,-0.2 -0.899 25.4 175.7-125.7 140.9 24.6 33.6 47.5 36 372 A S B -G 45 0B 41 -2,-0.4 9,-0.1 9,-0.3 7,-0.1 -0.742 46.5 -54.4-135.6 176.0 24.6 34.1 51.3 37 373 A H > - 0 0 28 5,-0.6 3,-0.5 7,-0.6 -1,-0.1 -0.386 37.6-149.3 -60.2 131.6 26.8 33.4 54.3 38 374 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.693 96.5 35.4 -72.7 -15.4 27.7 29.7 54.5 39 375 A Q T 3 S+ 0 0 124 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.277 110.3 63.4-122.8 8.9 27.9 29.9 58.4 40 376 A K S < S- 0 0 138 -3,-0.5 -4,-0.0 2,-0.2 -3,-0.0 -0.956 72.7-129.2-137.2 155.2 25.1 32.3 59.3 41 377 A L S S+ 0 0 176 -2,-0.3 -1,-0.1 -5,-0.0 -5,-0.0 0.700 72.2 112.6 -72.4 -26.1 21.3 32.4 59.0 42 378 A S - 0 0 50 1,-0.1 -5,-0.6 -6,-0.0 -2,-0.2 -0.203 59.6-149.2 -52.5 141.2 21.2 35.9 57.3 43 379 A L + 0 0 144 -7,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.209 51.5 137.3 -91.3 11.7 20.1 36.1 53.7 44 380 A D - 0 0 121 1,-0.1 -7,-0.6 2,-0.0 2,-0.1 -0.365 66.5 -99.2 -58.8 139.9 22.4 39.1 53.2 45 381 A E B +G 36 0B 128 -9,-0.1 -9,-0.3 1,-0.1 -1,-0.1 -0.346 40.6 179.0 -67.3 134.3 24.1 38.7 49.9 46 382 A X - 0 0 47 -11,-2.7 -1,-0.1 -2,-0.1 4,-0.1 -0.740 24.8-143.4-134.4 83.4 27.7 37.4 50.0 47 383 A P - 0 0 83 0, 0.0 -13,-0.1 0, 0.0 -11,-0.0 -0.112 28.2 -89.6 -57.2 143.3 28.8 37.2 46.4 48 384 A R S S+ 0 0 68 2,-0.1 2,-0.1 1,-0.0 -22,-0.0 -0.737 100.7 52.6 -95.5 149.7 31.1 34.3 45.3 49 385 A P S S- 0 0 10 0, 0.0 2,-0.2 0, 0.0 40,-0.1 0.494 82.9-144.3 -75.0 149.1 33.9 33.7 45.1 50 386 A L - 0 0 13 -2,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.526 20.3-119.6 -72.6 151.1 34.4 34.7 48.7 51 387 A E - 0 0 125 -2,-0.2 2,-0.3 32,-0.0 5,-0.1 -0.597 17.5-142.9 -92.7 152.0 37.7 36.4 49.3 52 388 A S > - 0 0 11 3,-0.5 3,-0.7 -2,-0.2 31,-0.1 -0.821 18.2-129.4-105.9 157.5 40.5 35.2 51.6 53 389 A E T 3 S+ 0 0 198 -2,-0.3 -1,-0.1 1,-0.2 30,-0.1 0.738 110.9 48.0 -74.3 -23.2 42.8 37.4 53.7 54 390 A T T 3 S+ 0 0 75 28,-0.3 -41,-0.5 1,-0.1 2,-0.5 0.426 103.9 65.9 -97.0 0.5 45.8 35.6 52.2 55 391 A V E < -A 12 0A 6 -3,-0.7 -3,-0.5 -43,-0.1 2,-0.4 -0.970 69.6-144.4-128.5 125.1 44.8 35.7 48.5 56 392 A S E -A 11 0A 66 -45,-2.9 -45,-2.2 -2,-0.5 2,-0.4 -0.709 23.5-173.7 -82.3 132.1 44.6 38.9 46.4 57 393 A L E +A 10 0A 17 -2,-0.4 2,-0.4 -47,-0.2 -47,-0.2 -0.994 12.4 179.6-131.0 128.9 41.7 38.7 43.9 58 394 A R E -A 9 0A 136 -49,-1.9 -49,-2.7 -2,-0.4 2,-0.4 -0.997 23.2-134.5-124.5 137.0 40.9 41.1 41.1 59 395 A Q E -A 8 0A 44 -2,-0.4 125,-2.3 -51,-0.2 2,-0.3 -0.727 18.0-170.3 -95.0 136.7 38.0 40.5 38.8 60 396 A L E -AD 7 183A 15 -53,-3.2 -53,-2.1 -2,-0.4 2,-0.4 -0.879 12.2-141.5-117.1 155.5 38.1 40.9 35.1 61 397 A I E -AD 6 182A 27 121,-2.9 121,-2.5 -2,-0.3 2,-0.5 -0.918 2.0-152.0-121.5 146.2 35.2 40.8 32.7 62 398 A V E +AD 5 181A 6 -57,-2.6 -58,-3.3 -2,-0.4 -57,-1.6 -0.963 26.7 166.6-115.6 126.4 35.1 39.3 29.2 63 399 A S E -AD 3 180A 5 117,-2.4 117,-3.1 -2,-0.5 2,-0.5 -0.894 36.7 -98.3-138.2 167.2 32.6 40.9 26.9 64 400 A V E D 0 179A 17 -62,-1.8 115,-0.2 -2,-0.3 -62,-0.2 -0.776 360.0 360.0 -96.2 133.6 31.8 40.8 23.2 65 401 A L 0 0 138 113,-2.1 -1,-0.2 -2,-0.5 -63,-0.1 0.948 360.0 360.0 -70.5 360.0 33.1 43.6 20.9 66 !* 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 67 334 B G > 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -42.1 55.3 23.6 20.2 68 335 B Q H > + 0 0 66 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.784 360.0 53.5 -73.0 -31.4 52.9 26.5 20.7 69 336 B L H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.957 107.6 52.0 -64.0 -47.6 50.0 24.1 21.4 70 337 B D H 4 S+ 0 0 116 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.921 110.4 47.7 -55.5 -47.0 52.2 22.4 24.0 71 338 B T H >< S+ 0 0 96 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.882 110.1 51.8 -62.8 -41.0 52.9 25.8 25.7 72 339 B H H 3< S+ 0 0 44 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.2 46.4 -62.8 -33.1 49.2 26.8 25.6 73 340 B L T 3< S+ 0 0 22 -4,-2.0 3,-0.4 -3,-0.3 41,-0.3 0.386 101.1 91.6 -90.5 4.1 48.2 23.5 27.3 74 341 B A S < S+ 0 0 36 -3,-1.0 21,-0.1 -4,-0.4 39,-0.1 -0.465 74.0 29.3 -95.4 164.9 50.9 23.8 29.9 75 342 B D S S+ 0 0 63 1,-0.2 20,-2.7 -2,-0.2 2,-0.4 0.802 76.7 150.0 58.3 33.7 50.9 25.3 33.4 76 343 B L E +E 94 0A 34 36,-0.5 36,-3.1 -3,-0.4 2,-0.3 -0.850 20.0 178.8 -99.0 138.4 47.3 24.7 34.0 77 344 B Y E -EF 93 111A 9 16,-2.5 16,-3.1 -2,-0.4 2,-0.6 -0.947 36.0-132.2-140.6 143.8 46.1 24.1 37.6 78 345 B L E -EF 92 110A 15 32,-3.0 32,-2.4 -2,-0.3 2,-0.5 -0.948 36.5-165.3 -87.8 118.2 43.1 23.5 39.8 79 346 B L E -EF 91 109A 1 12,-2.5 12,-2.0 -2,-0.6 2,-0.4 -0.942 10.3-177.9-110.5 132.4 43.5 26.0 42.6 80 347 B K E -EF 90 108A 69 28,-2.6 28,-3.3 -2,-0.5 2,-0.4 -0.994 4.4-171.7-133.4 130.5 41.6 25.8 45.8 81 348 B Y E -EF 89 107A 0 8,-2.8 8,-2.5 -2,-0.4 2,-0.5 -0.922 27.2-117.6-126.8 150.6 41.7 28.2 48.7 82 349 B D E -E 88 0A 64 24,-2.4 -28,-0.3 -2,-0.4 6,-0.2 -0.709 18.8-162.3 -82.8 121.3 40.4 28.4 52.3 83 350 B T - 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