==== 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 CELL ADHESION 24-AUG-09 3IRZ . COMPND 2 MOLECULE: URO-ADHERENCE FACTOR A; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS SAPROPHYTICUS SUBSP. . AUTHOR Y.TANAKA,Y.SHOUJI,E.MATSUOKA,M.KURODA,I.TANAKA,M.YAO . 398 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18956.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 39.4 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 . 51 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), 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 . 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 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 3 2 5 3 1 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 2 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 1 393 A Q 0 0 166 0, 0.0 3,-0.1 0, 0.0 51,-0.1 0.000 360.0 360.0 360.0 132.3 6.5 -2.6 -20.6 2 394 A S - 0 0 74 49,-0.3 2,-0.3 1,-0.1 50,-0.2 0.605 360.0 -32.0 -80.5 -17.8 8.5 -4.7 -23.0 3 395 A G S S- 0 0 25 48,-0.2 2,-0.2 50,-0.0 49,-0.2 -0.926 83.5 -56.9-175.7-163.7 6.2 -7.6 -22.7 4 396 A R - 0 0 113 -2,-0.3 49,-2.5 -3,-0.1 2,-0.6 -0.621 49.2 -96.2-103.7 162.0 3.9 -9.3 -20.2 5 397 A N B -a 53 0A 65 -2,-0.2 3,-0.2 47,-0.2 49,-0.2 -0.642 40.2-179.3 -66.9 116.1 4.3 -10.8 -16.8 6 398 A V > + 0 0 0 47,-3.2 3,-2.2 -2,-0.6 4,-0.3 -0.081 37.1 127.4-115.3 32.5 4.7 -14.5 -17.5 7 399 A N G > S+ 0 0 25 1,-0.3 3,-1.0 46,-0.2 -1,-0.2 0.848 75.5 58.0 -51.3 -35.4 5.0 -15.8 -14.0 8 400 A H G 3 S+ 0 0 120 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.544 107.8 46.1 -74.9 -6.1 2.3 -18.2 -15.0 9 401 A L G < S+ 0 0 23 -3,-2.2 36,-2.8 1,-0.1 2,-0.5 0.225 98.3 76.7-119.0 7.5 4.4 -19.6 -17.8 10 402 A V E < -H 44 0B 1 -3,-1.0 2,-0.7 -4,-0.3 34,-0.2 -0.986 66.8-158.2-122.5 121.5 7.7 -20.0 -15.9 11 403 A F E -H 43 0B 90 32,-2.7 32,-1.4 -2,-0.5 2,-0.4 -0.872 16.4-175.7-113.1 106.9 7.8 -23.0 -13.7 12 404 A A E -H 42 0B 8 -2,-0.7 2,-0.4 126,-0.3 30,-0.2 -0.851 20.0-165.0-115.6 137.8 10.4 -22.7 -10.9 13 405 A N E -H 41 0B 118 28,-2.8 28,-2.7 -2,-0.4 2,-0.3 -0.979 21.9-165.0-116.8 131.5 11.6 -25.0 -8.2 14 406 A T E +H 40 0B 25 -2,-0.4 2,-0.3 26,-0.2 26,-0.2 -0.858 16.1 169.1-123.8 147.1 13.6 -23.4 -5.4 15 407 A S E -H 39 0B 42 24,-1.8 24,-3.0 -2,-0.3 2,-0.3 -0.968 23.1-131.7-145.2 164.8 15.9 -24.4 -2.6 16 408 A Y E -H 38 0B 24 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.857 13.4-168.5-114.1 151.2 18.2 -22.6 -0.2 17 409 A E E -H 37 0B 63 20,-2.3 20,-3.1 -2,-0.3 2,-0.4 -0.991 18.3-136.0-137.3 129.8 21.8 -23.5 0.7 18 410 A I E -H 36 0B 23 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.717 24.4-165.4 -85.2 131.0 23.7 -21.9 3.6 19 411 A L E +H 35 0B 42 16,-2.5 16,-1.1 -2,-0.4 10,-0.4 -0.790 38.0 29.5-108.8 158.5 27.2 -20.9 2.8 20 412 A G S > S- 0 0 19 -2,-0.3 3,-2.0 14,-0.2 4,-0.3 -0.386 102.7 -23.5 101.0-170.4 30.1 -19.9 5.1 21 413 A G T 3 S+ 0 0 21 11,-3.3 3,-0.2 8,-0.3 -1,-0.2 0.595 128.7 50.2 -59.6 -21.7 31.5 -20.6 8.5 22 414 A G T > >S+ 0 0 0 -3,-0.3 5,-2.1 5,-0.3 3,-1.3 0.350 74.4 105.1 -97.9 3.2 28.2 -21.7 10.1 23 415 A K G X 5S+ 0 0 92 -3,-2.0 3,-1.6 1,-0.3 -1,-0.1 0.883 79.2 53.9 -53.7 -39.8 27.1 -24.2 7.4 24 416 A K G 3 5S+ 0 0 132 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.781 113.8 44.0 -64.6 -25.4 28.0 -27.2 9.7 25 417 A Y G < 5S- 0 0 149 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.254 115.2-115.7-102.3 7.8 25.8 -25.6 12.4 26 418 A N T < 5S+ 0 0 109 -3,-1.6 122,-0.6 -4,-0.3 2,-0.4 0.872 77.1 119.9 57.9 40.0 23.0 -24.8 9.9 27 419 A Q E < -b 148 0A 34 -5,-2.1 2,-0.9 -7,-0.1 -5,-0.3 -0.982 69.5-123.9-132.0 146.2 23.5 -21.0 10.5 28 420 A V E -b 149 0A 0 120,-3.2 122,-2.6 -2,-0.4 2,-1.2 -0.805 26.4-153.5 -86.0 106.4 24.4 -18.1 8.3 29 421 A F E > > -b 150 0A 40 -2,-0.9 3,-2.3 -10,-0.4 5,-1.9 -0.715 7.0-164.2 -85.2 94.4 27.5 -16.7 10.1 30 422 A M T 3 5S+ 0 0 8 120,-2.5 3,-0.2 -2,-1.2 121,-0.2 0.639 86.0 42.0 -59.4 -20.7 27.3 -13.1 8.9 31 423 A T T 3 5S+ 0 0 66 119,-0.5 -1,-0.3 1,-0.2 120,-0.1 0.206 110.0 61.0-112.7 16.2 30.8 -12.2 9.9 32 424 A M T < 5S- 0 0 106 -3,-2.3 -11,-3.3 0, 0.0 -3,-0.2 -0.404 129.4 -71.7-137.3 62.0 32.4 -15.5 8.5 33 425 A D T 5S+ 0 0 138 -13,-0.2 -3,-0.2 1,-0.2 2,-0.1 0.608 82.6 162.9 63.7 11.2 31.6 -15.7 4.8 34 426 A G < + 0 0 2 -5,-1.9 2,-0.3 -14,-0.1 -14,-0.2 -0.413 0.5 147.1 -66.6 131.3 28.0 -16.4 5.7 35 427 A K E -H 19 0B 66 -16,-1.1 -16,-2.5 -2,-0.1 2,-0.6 -0.961 46.0-120.4-151.5 160.3 25.4 -15.9 2.9 36 428 A L E -HI 18 118B 1 82,-2.3 82,-1.4 -2,-0.3 2,-0.5 -0.929 27.2-153.8-104.1 115.5 22.1 -17.5 1.9 37 429 A K E -HI 17 117B 58 -20,-3.1 -20,-2.3 -2,-0.6 2,-0.5 -0.793 2.9-156.5 -91.1 130.1 22.3 -19.0 -1.6 38 430 A I E -HI 16 116B 0 78,-3.2 78,-2.2 -2,-0.5 2,-0.5 -0.925 8.0-163.2-107.9 125.3 19.0 -19.3 -3.4 39 431 A K E -HI 15 115B 70 -24,-3.0 -24,-1.8 -2,-0.5 2,-0.5 -0.943 6.6-173.7-117.4 122.2 19.0 -21.9 -6.1 40 432 A I E -HI 14 114B 1 74,-3.1 74,-2.4 -2,-0.5 2,-0.4 -0.973 10.1-171.9-124.4 125.7 16.3 -21.9 -8.8 41 433 A D E +HI 13 113B 89 -28,-2.7 -28,-2.8 -2,-0.5 2,-0.3 -0.948 24.0 173.7-109.2 133.7 15.6 -24.5 -11.6 42 434 A Y E -HI 12 112B 5 70,-2.9 70,-2.2 -2,-0.4 2,-0.3 -0.940 28.5-156.4-142.1 160.4 13.0 -23.5 -14.1 43 435 A T E -HI 11 111B 52 -32,-1.4 -32,-2.7 -2,-0.3 2,-0.4 -0.944 18.3-146.8-129.6 156.5 11.2 -24.3 -17.4 44 436 A V E -H 10 0B 9 66,-2.4 66,-0.4 -2,-0.3 -34,-0.2 -0.980 18.2-117.0-129.9 130.2 9.6 -21.8 -19.7 45 437 A D > - 0 0 67 -36,-2.8 3,-1.8 -2,-0.4 -36,-0.1 -0.380 27.1-122.0 -61.0 144.3 6.5 -22.3 -21.9 46 438 A D T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.1 -37,-0.0 0.702 106.6 71.5 -63.8 -18.7 7.2 -22.0 -25.6 47 439 A S T 3 S+ 0 0 58 -38,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.544 73.2 107.1 -77.5 -7.6 4.6 -19.1 -25.9 48 440 A V < - 0 0 2 -3,-1.8 2,-0.3 -39,-0.2 3,-0.0 -0.542 54.6-167.5 -71.1 136.7 7.0 -16.8 -24.0 49 441 A V > - 0 0 56 -2,-0.2 3,-2.3 1,-0.1 51,-0.2 -0.788 33.1 -67.0-124.0 164.3 8.6 -14.1 -26.2 50 442 A E T 3 S+ 0 0 55 -2,-0.3 51,-0.2 1,-0.2 52,-0.1 -0.284 120.7 26.0 -49.3 131.4 11.3 -11.6 -26.1 51 443 A G T 3 S+ 0 0 7 49,-2.5 -49,-0.3 1,-0.4 -1,-0.2 0.099 89.2 121.6 95.0 -21.4 10.5 -8.8 -23.6 52 444 A D < - 0 0 3 -3,-2.3 48,-2.9 -49,-0.2 -1,-0.4 -0.363 47.1-161.1 -62.1 159.2 8.2 -11.0 -21.4 53 445 A Y E -aC 5 99A 30 -49,-2.5 -47,-3.2 46,-0.3 2,-0.3 -0.982 20.9-156.9-145.7 153.0 9.4 -11.2 -17.8 54 446 A F E - C 0 98A 1 44,-2.2 44,-3.1 -2,-0.3 2,-0.3 -0.849 21.7-138.2-120.5 168.0 9.1 -13.1 -14.6 55 447 A T E - C 0 97A 29 -2,-0.3 84,-2.9 42,-0.2 2,-0.4 -0.864 12.9-156.1-127.3 157.2 9.7 -11.9 -11.1 56 448 A V E -DC 138 96A 0 40,-2.5 40,-3.0 -2,-0.3 2,-0.7 -0.976 14.5-159.3-129.2 117.0 11.4 -12.9 -7.8 57 449 A D E -DC 137 95A 60 80,-2.6 80,-2.2 -2,-0.4 38,-0.2 -0.881 3.6-159.3 -97.1 117.7 10.0 -11.2 -4.7 58 450 A F > - 0 0 1 36,-2.6 4,-0.8 -2,-0.7 3,-0.4 0.480 29.8-152.1 -80.9 -2.8 12.5 -11.4 -1.9 59 451 A G T 4 - 0 0 24 35,-0.3 -1,-0.2 34,-0.3 77,-0.1 -0.325 39.6 -38.7 74.3-146.3 9.9 -10.7 0.7 60 452 A K T 4 S+ 0 0 149 75,-0.4 -1,-0.2 1,-0.1 61,-0.1 0.742 124.5 39.1 -93.5 -29.1 10.5 -9.1 4.1 61 453 A Y T 4 S+ 0 0 55 -3,-0.4 60,-2.2 74,-0.3 2,-0.3 0.665 105.2 40.8-109.7 -19.9 13.8 -10.4 5.5 62 454 A I E < -J 120 0B 0 -4,-0.8 -1,-0.0 58,-0.3 56,-0.0 -0.888 50.6-160.8-131.2 160.5 16.4 -10.7 2.8 63 455 A H E -J 119 0B 2 56,-2.5 56,-2.0 -2,-0.3 2,-0.1 -0.941 35.9 -98.1-130.7 156.3 17.7 -8.8 -0.3 64 456 A P E S+J 118 0B 1 0, 0.0 54,-0.3 0, 0.0 9,-0.1 -0.419 90.1 27.0 -71.0 158.0 19.8 -10.1 -3.2 65 457 A G S S- 0 0 22 52,-2.9 54,-0.3 6,-0.1 -2,-0.2 -0.178 77.0-117.4 81.3-178.5 23.5 -9.4 -2.9 66 458 A T S S- 0 0 35 2,-0.2 53,-0.1 52,-0.1 -31,-0.0 0.401 74.4 -9.5-125.5-101.7 25.6 -9.0 0.3 67 459 A S S S+ 0 0 19 97,-0.1 98,-2.3 2,-0.0 2,-0.4 0.859 104.6 82.2 -82.4 -38.3 27.5 -5.9 1.4 68 460 A R B S-k 165 0C 60 96,-0.2 98,-0.2 98,-0.0 -2,-0.2 -0.551 74.2-129.8 -75.0 128.8 27.5 -3.5 -1.5 69 461 A K S S+ 0 0 78 96,-2.8 98,-0.4 -2,-0.4 2,-0.1 -0.882 82.0 53.5-123.0 157.0 24.4 -1.4 -2.0 70 462 A P S S- 0 0 107 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.576 92.9-131.3 -53.6 147.6 22.3 -0.5 -4.0 71 463 A Y - 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