==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 24-AUG-09 3IS1 . COMPND 2 MOLECULE: URO-ADHERENCE FACTOR A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR Y.TANAKA,E.MATSUOKA,Y.SHOUJI,M.KURODA,I.TANAKA,M.YAO . 393 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 277 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 158 40.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 54 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 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 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 3 5 1 3 6 1 1 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 1 2 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 1 392 X N 0 0 205 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.5 29.5 25.0 -8.3 2 393 X Q - 0 0 113 1,-0.1 3,-0.1 0, 0.0 51,-0.1 -0.731 360.0-149.5-115.2 154.8 31.8 25.8 -5.4 3 394 X S S S- 0 0 79 49,-0.3 2,-0.2 -2,-0.3 50,-0.2 0.662 87.2 -15.8 -87.7 -22.3 32.1 28.3 -2.6 4 395 X G S S- 0 0 23 48,-0.4 2,-0.2 50,-0.0 49,-0.2 -0.875 84.1 -71.0-160.9-170.4 35.9 28.0 -2.5 5 396 X R - 0 0 120 -2,-0.2 49,-2.0 -3,-0.1 2,-0.6 -0.608 51.0 -91.8 -98.7 158.9 38.8 25.8 -3.7 6 397 X N B +a 54 0A 66 -2,-0.2 3,-0.2 47,-0.2 49,-0.2 -0.589 42.5 179.1 -65.0 112.9 39.9 22.3 -2.5 7 398 X V >> + 0 0 0 47,-3.2 3,-1.2 -2,-0.6 4,-0.5 -0.077 37.3 124.5-113.8 33.6 42.5 23.1 0.2 8 399 X N G >4 S+ 0 0 21 1,-0.3 3,-1.0 46,-0.2 -1,-0.2 0.880 77.8 53.2 -52.1 -42.4 43.4 19.5 1.2 9 400 X H G 34 S+ 0 0 126 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.630 108.0 51.8 -70.8 -15.1 47.1 20.4 0.5 10 401 X L G <4 S+ 0 0 20 -3,-1.2 36,-2.5 1,-0.1 2,-0.6 0.426 95.1 78.8-101.3 -4.0 46.7 23.5 2.8 11 402 X V E << -H 45 0B 1 -3,-1.0 2,-0.7 -4,-0.5 34,-0.2 -0.937 66.4-160.0-110.3 114.6 45.3 21.5 5.8 12 403 X F E +H 44 0B 102 32,-2.8 32,-2.5 -2,-0.6 2,-0.3 -0.849 23.0 171.9-100.9 115.1 48.0 19.6 7.7 13 404 X A E -H 43 0B 20 -2,-0.7 2,-0.4 30,-0.2 30,-0.2 -0.904 30.9-157.8-131.8 149.9 46.5 16.8 9.8 14 405 X N E -H 42 0B 125 28,-2.8 28,-2.7 -2,-0.3 2,-0.3 -0.996 22.8-167.4-121.1 132.4 47.3 13.9 12.0 15 406 X T E +H 41 0B 22 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.912 11.3 169.9-125.3 149.2 44.7 11.1 12.4 16 407 X S E -H 40 0B 49 24,-1.9 24,-2.7 -2,-0.3 2,-0.3 -0.969 23.5-126.4-148.9 160.3 44.2 8.2 14.8 17 408 X Y E -H 39 0B 21 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.847 13.1-167.7-110.0 148.5 41.5 5.6 15.7 18 409 X E E -H 38 0B 57 20,-2.3 20,-3.0 -2,-0.3 2,-0.5 -0.976 18.9-137.4-133.0 123.1 40.1 4.6 19.1 19 410 X I E -H 37 0B 22 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.675 27.7-170.5 -75.9 119.9 37.9 1.5 19.5 20 411 X L E +H 36 0B 33 16,-3.1 16,-1.6 -2,-0.5 10,-0.3 -0.712 36.1 45.5-107.7 163.1 35.0 2.3 21.8 21 412 X G S > S- 0 0 29 14,-0.3 3,-1.3 -2,-0.2 13,-0.2 -0.521 104.0 -38.3 105.5-170.5 32.4 0.1 23.5 22 413 X G T 3 S+ 0 0 33 11,-2.9 3,-0.2 8,-0.3 -1,-0.2 0.459 126.0 65.0 -73.7 -1.8 32.4 -3.2 25.4 23 414 X G T > > + 0 0 0 -3,-0.3 5,-2.0 10,-0.2 3,-1.5 0.280 64.4 106.1-105.0 8.5 35.1 -4.7 23.2 24 415 X K G X 5S+ 0 0 110 -3,-1.3 3,-1.3 1,-0.3 -1,-0.2 0.892 79.1 54.8 -48.2 -46.9 37.9 -2.3 24.2 25 416 X K G 3 5S+ 0 0 192 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.619 111.8 43.7 -65.7 -16.7 39.5 -5.1 26.2 26 417 X Y G < 5S- 0 0 154 -3,-1.5 -1,-0.3 2,-0.3 -2,-0.2 0.353 109.2-116.9-112.2 3.4 39.6 -7.4 23.2 27 418 X N T < 5S+ 0 0 100 -3,-1.3 122,-0.5 -4,-0.5 2,-0.3 0.874 79.1 115.1 56.1 42.2 40.8 -4.9 20.6 28 419 X Q E > -b 151 0A 35 -2,-1.0 5,-2.4 -10,-0.3 3,-1.4 -0.706 8.9-167.1 -83.0 96.0 31.8 -5.1 19.6 31 422 X M T 3 5S+ 0 0 6 120,-2.7 3,-0.2 -2,-1.2 121,-0.2 0.606 84.9 39.5 -66.4 -15.9 28.9 -4.1 17.3 32 423 X T T 3 5S+ 0 0 60 119,-0.4 -1,-0.3 1,-0.1 261,-0.2 0.364 108.1 63.4-113.1 0.2 26.2 -5.4 19.8 33 424 X M T < 5S- 0 0 95 -3,-1.4 -11,-2.9 0, 0.0 -10,-0.2 -0.346 128.3 -84.2-117.1 48.7 27.9 -4.1 22.9 34 425 X D T 5S+ 0 0 119 -3,-0.2 -3,-0.2 -13,-0.2 2,-0.1 0.669 77.5 164.7 63.6 21.4 27.8 -0.4 22.1 35 426 X G < + 0 0 0 -5,-2.4 2,-0.3 -14,-0.1 -14,-0.3 -0.392 4.7 154.3 -74.8 145.6 31.0 -0.7 20.0 36 427 X K E -H 20 0B 36 -16,-1.6 -16,-3.1 -2,-0.1 2,-0.6 -0.975 41.8-111.2-163.5 157.1 32.1 2.0 17.5 37 428 X L E -HI 19 119B 0 82,-2.1 82,-2.4 -2,-0.3 2,-0.5 -0.879 27.6-154.9-101.0 115.7 35.2 3.4 15.8 38 429 X K E -HI 18 118B 57 -20,-3.0 -20,-2.3 -2,-0.6 2,-0.6 -0.772 3.3-156.8 -89.5 128.6 36.3 6.9 16.9 39 430 X I E -HI 17 117B 0 78,-2.9 78,-2.1 -2,-0.5 2,-0.5 -0.938 7.7-165.2-108.2 117.7 38.3 8.9 14.5 40 431 X K E -HI 16 116B 72 -24,-2.7 -24,-1.9 -2,-0.6 2,-0.5 -0.903 4.3-171.7-107.2 126.6 40.4 11.7 16.0 41 432 X I E -HI 15 115B 1 74,-2.7 74,-1.9 -2,-0.5 2,-0.4 -0.959 9.3-168.6-124.4 114.9 41.9 14.4 13.8 42 433 X D E -HI 14 114B 89 -28,-2.7 -28,-2.8 -2,-0.5 2,-0.3 -0.865 26.0-179.1 -93.3 134.0 44.4 17.1 14.9 43 434 X Y E -HI 13 113B 6 70,-2.5 70,-1.4 -2,-0.4 2,-0.4 -0.976 29.5-164.0-142.6 150.6 44.8 19.8 12.3 44 435 X T E -HI 12 112B 67 -32,-2.5 -32,-2.8 -2,-0.3 2,-0.4 -0.981 18.0-151.1-124.9 140.6 46.5 23.0 11.3 45 436 X V E -HI 11 111B 3 66,-2.2 66,-0.5 -2,-0.4 -34,-0.2 -0.962 19.8-117.1-117.9 131.7 45.3 25.2 8.5 46 437 X D > - 0 0 59 -36,-2.5 3,-1.8 -2,-0.4 -36,-0.1 -0.293 22.5-121.8 -63.0 145.6 47.5 27.4 6.3 47 438 X D T 3 S+ 0 0 82 1,-0.3 -1,-0.1 59,-0.0 -37,-0.0 0.687 107.0 70.4 -64.4 -20.2 46.9 31.2 6.5 48 439 X S T 3 S+ 0 0 58 -38,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.565 75.1 105.9 -75.2 -9.5 46.3 31.4 2.8 49 440 X V < - 0 0 0 -3,-1.8 2,-0.2 -39,-0.1 3,-0.0 -0.552 55.1-167.8 -71.6 133.4 43.0 29.5 3.3 50 441 X V > - 0 0 63 -2,-0.3 3,-1.9 1,-0.1 51,-0.2 -0.730 33.8 -68.0-119.3 168.3 39.9 31.8 2.9 51 442 X E T 3 S+ 0 0 53 1,-0.2 51,-0.2 -2,-0.2 52,-0.1 -0.312 120.5 29.1 -54.1 131.2 36.2 31.6 3.7 52 443 X G T 3 S+ 0 0 9 49,-2.6 -48,-0.4 1,-0.4 -49,-0.3 0.006 89.4 122.1 102.2 -27.5 34.5 29.1 1.3 53 444 X D < - 0 0 3 -3,-1.9 48,-3.1 -50,-0.2 -1,-0.4 -0.283 45.4-162.5 -60.3 154.3 37.6 26.9 0.9 54 445 X Y E -aC 6 100A 32 -49,-2.0 -47,-3.2 46,-0.3 2,-0.3 -0.983 19.8-156.2-143.8 150.5 37.1 23.3 1.9 55 446 X F E - C 0 99A 2 44,-1.8 44,-3.1 -2,-0.3 2,-0.3 -0.878 22.9-134.3-119.3 162.3 38.9 20.1 2.9 56 447 X T E - C 0 98A 25 -2,-0.3 84,-2.5 42,-0.2 2,-0.4 -0.808 12.7-158.0-118.1 153.0 37.6 16.6 2.6 57 448 X V E -DC 139 97A 0 40,-2.7 40,-2.7 -2,-0.3 2,-0.7 -0.935 15.1-161.8-124.9 106.8 37.5 13.4 4.6 58 449 X D E -DC 138 96A 60 80,-2.8 80,-3.0 -2,-0.4 38,-0.2 -0.816 4.4-160.0 -88.1 114.9 37.0 10.4 2.4 59 450 X F > - 0 0 1 36,-2.4 4,-1.0 -2,-0.7 3,-0.4 0.404 29.6-147.3 -81.1 3.4 35.7 7.5 4.6 60 451 X G T 4 - 0 0 25 35,-0.3 -1,-0.2 34,-0.2 77,-0.1 -0.316 38.6 -49.0 73.1-145.7 36.8 4.9 2.0 61 452 X K T 4 S+ 0 0 148 75,-0.4 -1,-0.2 -3,-0.1 61,-0.1 0.664 124.5 46.8-103.8 -19.4 35.0 1.7 1.4 62 453 X Y T 4 S+ 0 0 61 -3,-0.4 60,-2.6 74,-0.3 2,-0.2 0.780 105.2 36.5-102.6 -31.0 34.5 0.1 4.8 63 454 X I E < -J 121 0B 0 -4,-1.0 -4,-0.0 58,-0.3 56,-0.0 -0.773 51.5-163.0-125.2 166.9 33.1 2.7 7.3 64 455 X H E -J 120 0B 2 56,-2.2 56,-2.3 2,-0.3 2,-0.0 -0.975 34.8 -97.8-141.8 151.9 30.8 5.7 7.4 65 456 X P E S+J 119 0B 0 0, 0.0 54,-0.2 0, 0.0 9,-0.1 -0.362 91.7 35.2 -68.6 156.5 30.3 8.6 9.9 66 457 X G S S- 0 0 7 52,-2.8 54,-0.3 6,-0.1 -2,-0.3 -0.167 76.4-127.2 81.4 172.8 27.6 8.1 12.5 67 458 X T S S- 0 0 6 2,-0.2 53,-0.1 52,-0.1 5,-0.0 0.386 70.8 -13.1-121.5-103.8 26.6 4.7 14.0 68 459 X S S S+ 0 0 11 97,-0.1 98,-2.5 2,-0.0 2,-0.5 0.547 109.8 84.2 -87.6 -9.9 23.2 3.0 14.2 69 460 X R B S-k 166 0C 25 96,-0.2 -2,-0.2 2,-0.1 98,-0.2 -0.853 73.4-114.3-110.8 127.3 21.1 6.0 13.2 70 461 X K S S+ 0 0 70 96,-3.1 98,-0.3 -2,-0.5 2,-0.1 -0.746 83.6 46.5-103.6 152.0 20.2 7.2 9.7 71 462 X P S S- 0 0 69 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.572 84.0-133.0 -78.1 156.7 20.7 9.5 7.9 72 463 X Y + 0 0 46 -2,-0.1 2,-0.3 -6,-0.1 18,-0.2 -0.479 31.6 172.9 -77.1 145.0 24.4 9.8 8.5 73 464 X R - 0 0 48 -2,-0.2 2,-0.3 16,-0.1 16,-0.1 -0.980 25.1-137.9-148.0 155.8 25.9 13.3 9.2 74 465 X V - 0 0 12 -2,-0.3 2,-0.2 14,-0.1 16,-0.1 -0.826 26.9-120.6-111.2 157.7 29.1 15.0 10.2 75 466 X N - 0 0 117 -2,-0.3 14,-0.1 1,-0.1 2,-0.1 -0.602 26.3-101.3 -95.0 156.5 29.3 17.9 12.7 76 467 X N - 0 0 33 -2,-0.2 2,-0.4 12,-0.2 11,-0.2 -0.403 39.5-116.7 -64.8 151.0 30.7 21.4 12.2 77 468 X I E -E 86 0A 2 9,-2.6 8,-2.5 -2,-0.1 9,-1.5 -0.817 36.5-176.3 -95.8 133.8 34.2 22.0 13.6 78 469 X H E -E 84 0A 83 -2,-0.4 36,-0.4 6,-0.3 6,-0.2 -0.787 20.7-122.3-122.8 165.3 34.6 24.5 16.4 79 470 X D > - 0 0 30 4,-1.9 3,-1.4 -2,-0.3 34,-0.1 -0.258 50.4 -79.6 -90.8-171.3 37.4 26.1 18.4 80 471 X A T 3 S+ 0 0 105 1,-0.3 33,-0.0 2,-0.1 -1,-0.0 0.704 132.4 47.2 -64.4 -21.6 37.9 26.0 22.2 81 472 X N T 3 S- 0 0 139 2,-0.1 -1,-0.3 248,-0.0 0, 0.0 0.333 122.5-101.0-103.0 4.3 35.3 28.8 22.6 82 473 X G < + 0 0 34 -3,-1.4 2,-0.3 1,-0.3 247,-0.2 0.519 70.0 149.4 89.9 6.9 32.7 27.3 20.3 83 474 X R - 0 0 46 1,-0.1 -4,-1.9 246,-0.1 2,-0.6 -0.570 53.2-113.6 -72.7 133.1 33.5 29.5 17.3 84 475 X T E +E 78 0A 3 -2,-0.3 20,-0.4 -6,-0.2 -6,-0.3 -0.587 36.6 174.4 -76.2 114.7 32.7 27.6 14.0 85 476 X I E S+ 0 0 0 -8,-2.5 17,-2.2 -2,-0.6 2,-0.3 0.885 70.3 5.4 -81.5 -45.1 35.9 27.0 12.1 86 477 X A E -EF 77 101A 0 -9,-1.5 -9,-2.6 15,-0.3 2,-0.4 -1.000 67.2-125.0-146.3 141.8 34.3 24.9 9.4 87 478 X I E - 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