==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-12 4B1M . COMPND 2 MOLECULE: LEVANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR F.CUSKIN,J.E.FLINT,C.MORLAND,A.BASLE,B.HENRISSAT,P.M.COUNTIN . 489 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 274 56.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 2.5 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 . 35 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 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 . 3 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 . 1 2 2 1 3 11 7 3 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 1 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 1 513 A H 0 0 236 0, 0.0 2,-0.2 0, 0.0 238,-0.0 0.000 360.0 360.0 360.0 154.3 -4.8 17.7 21.3 2 514 A M + 0 0 41 304,-0.0 2,-0.3 2,-0.0 304,-0.1 -0.427 360.0 165.7 -64.9 128.2 -1.8 15.5 20.4 3 515 A T - 0 0 103 302,-0.4 3,-0.0 -2,-0.2 0, 0.0 -0.954 20.9-151.6-135.7 156.2 -0.8 15.7 16.8 4 516 A T - 0 0 49 -2,-0.3 301,-0.1 2,-0.2 19,-0.1 -0.989 19.0-139.2-127.5 144.3 2.4 14.5 14.9 5 517 A P S S+ 0 0 41 0, 0.0 2,-0.5 0, 0.0 22,-0.1 0.584 78.8 102.5 -74.2 -10.5 3.9 15.9 11.7 6 518 A F - 0 0 14 20,-0.2 2,-0.5 153,-0.1 -2,-0.2 -0.672 65.2-150.6 -73.4 124.0 4.6 12.3 10.7 7 519 A M + 0 0 114 -2,-0.5 154,-2.0 151,-0.1 153,-0.8 -0.864 37.2 124.4-106.1 126.8 2.0 11.2 8.2 8 520 A S B -a 161 0A 42 -2,-0.5 154,-0.2 152,-0.2 42,-0.0 -0.976 57.9-133.4-166.3 155.9 1.1 7.5 8.0 9 521 A N S S+ 0 0 94 152,-1.1 2,-0.3 -2,-0.3 153,-0.1 0.149 85.8 85.0-102.0 18.9 -1.8 5.1 8.2 10 522 A M + 0 0 8 151,-0.4 2,-0.2 31,-0.1 3,-0.1 -0.911 55.0 179.6-121.6 148.8 0.1 2.9 10.7 11 523 A T + 0 0 102 -2,-0.3 29,-1.9 1,-0.1 30,-0.6 -0.560 48.2 69.6-131.6-172.5 0.4 3.2 14.5 12 524 A G - 0 0 41 27,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.845 60.8-172.1 69.0 31.4 2.0 1.5 17.4 13 525 A W - 0 0 28 26,-0.2 2,-0.5 -3,-0.1 26,-0.2 -0.456 1.9-171.7 -68.2 120.6 5.6 2.5 16.5 14 526 A T E -B 38 0B 93 24,-2.8 24,-2.3 -2,-0.3 2,-0.4 -0.965 20.0-131.7-120.4 121.3 8.0 0.7 18.8 15 527 A T E -B 37 0B 27 -2,-0.5 22,-0.2 22,-0.2 3,-0.1 -0.596 20.5-178.1 -73.2 120.2 11.8 1.6 18.8 16 528 A V - 0 0 52 20,-2.7 2,-0.3 -2,-0.4 -1,-0.2 0.909 67.9 -39.3 -79.8 -51.1 13.9 -1.6 18.6 17 529 A N S S+ 0 0 67 19,-1.4 -1,-0.4 2,-0.0 19,-0.3 -0.926 100.4 54.6-162.3 179.9 17.1 0.4 18.7 18 530 A G S S- 0 0 28 -2,-0.3 2,-0.5 17,-0.1 13,-0.2 -0.369 91.9 -57.9 79.5-165.0 18.7 3.6 17.4 19 531 A T E +C 30 0B 24 11,-1.8 11,-1.5 247,-0.1 2,-0.4 -0.982 57.9 176.1-121.2 117.5 17.3 7.1 17.8 20 532 A W E +C 29 0B 4 245,-1.5 2,-0.3 -2,-0.5 9,-0.2 -0.984 6.1 155.2-130.9 132.3 13.8 7.6 16.4 21 533 A A E -C 28 0B 4 7,-2.3 7,-2.9 -2,-0.4 2,-0.6 -0.966 41.8-116.2-147.9 160.5 11.7 10.8 16.6 22 534 A D E +C 27 0B 8 -2,-0.3 282,-3.1 5,-0.2 283,-0.5 -0.930 42.8 173.3-102.3 119.2 8.9 12.6 14.8 23 535 A T E > -C 26 0B 5 3,-3.3 3,-1.6 -2,-0.6 280,-0.0 -0.678 51.9 -89.6-113.0 175.8 10.1 15.9 13.5 24 536 A I T 3 S+ 0 0 114 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.746 128.3 51.6 -56.9 -22.2 8.6 18.5 11.3 25 537 A E T 3 S- 0 0 92 1,-0.3 2,-0.3 -19,-0.0 -1,-0.3 0.626 122.7 -90.5 -90.2 -12.5 10.0 16.6 8.3 26 538 A G E < S-C 23 0B 0 -3,-1.6 -3,-3.3 133,-0.1 2,-0.6 -0.947 73.6 -19.6 134.6-163.0 8.7 13.2 9.2 27 539 A K E -CD 22 158B 7 131,-2.7 131,-2.8 -2,-0.3 2,-0.4 -0.788 65.1-159.2 -85.1 120.9 9.9 10.2 11.2 28 540 A Q E -CD 21 157B 34 -7,-2.9 -7,-2.3 -2,-0.6 2,-0.3 -0.879 10.9-176.1-103.6 136.1 13.7 10.5 11.6 29 541 A G E +CD 20 156B 0 127,-2.5 127,-2.5 -2,-0.4 2,-0.3 -0.949 2.9 179.7-122.0 149.5 16.0 7.6 12.4 30 542 A R E +CD 19 155B 74 -11,-1.5 -11,-1.8 -2,-0.3 2,-0.3 -0.975 14.5 133.5-151.0 141.4 19.7 7.6 13.1 31 543 A S E - D 0 154B 18 123,-1.6 123,-1.4 -2,-0.3 4,-0.1 -0.941 48.4-128.9-171.5 157.5 22.4 5.1 13.9 32 544 A D E S+ 0 0 113 -2,-0.3 -1,-0.1 121,-0.2 27,-0.1 0.863 100.7 29.6 -80.4 -40.0 25.9 4.0 12.9 33 545 A G E S- 0 0 39 1,-0.2 120,-1.5 119,-0.1 2,-0.3 -0.078 118.7 -52.3 -92.8-158.2 24.9 0.4 12.5 34 546 A D E + D 0 152B 51 118,-0.2 2,-0.3 119,-0.1 118,-0.2 -0.643 59.8 178.6 -74.6 139.6 21.5 -1.0 11.5 35 547 A S E - D 0 151B 0 116,-2.5 116,-1.7 -2,-0.3 2,-0.3 -0.960 6.0-161.9-143.8 160.7 18.5 0.3 13.6 36 548 A F E - D 0 150B 19 -19,-0.3 -20,-2.7 -2,-0.3 -19,-1.4 -0.981 17.8-168.1-145.9 146.7 14.8 -0.4 13.4 37 549 A I E -BD 15 149B 1 112,-2.3 112,-2.7 -2,-0.3 2,-0.4 -0.991 20.0-157.7-133.1 139.2 11.4 0.8 14.4 38 550 A L E -BD 14 148B 2 -24,-2.3 -24,-2.8 -2,-0.4 110,-0.3 -0.971 7.1-143.1-120.8 137.0 8.3 -1.5 14.0 39 551 A S E - 0 0 0 108,-2.8 -27,-0.2 -2,-0.4 108,-0.2 -0.489 25.4-121.9 -81.4 157.9 4.6 -0.6 13.7 40 552 A S E S+ 0 0 71 -29,-1.9 -28,-0.1 -2,-0.2 -1,-0.1 0.665 84.2 108.1 -69.5 -19.6 2.0 -2.8 15.3 41 553 A A E - 0 0 21 -30,-0.6 106,-1.7 106,-0.1 2,-0.3 -0.343 49.9-179.6 -60.9 144.0 0.6 -3.1 11.7 42 554 A S E + D 0 146B 75 104,-0.2 2,-0.3 26,-0.1 104,-0.2 -0.930 8.3 148.8-144.2 160.2 1.1 -6.5 10.1 43 555 A G E - D 0 145B 19 102,-2.2 102,-2.1 -2,-0.3 3,-0.1 -0.992 38.1-138.3-175.1 179.2 0.3 -8.3 6.9 44 556 A S S S+ 0 0 51 1,-0.5 2,-0.4 -2,-0.3 -1,-0.1 0.675 90.0 24.9-117.2 -65.3 1.1 -10.7 4.2 45 557 A D S S+ 0 0 61 76,-0.1 -1,-0.5 74,-0.0 2,-0.3 -0.892 83.0 119.2-110.4 139.9 0.3 -9.2 0.8 46 558 A F E -E 120 0B 2 74,-1.9 74,-2.7 -2,-0.4 2,-0.5 -0.987 60.6-102.8-176.9 166.5 0.4 -5.4 0.4 47 559 A T E -EF 119 164B 34 117,-2.1 117,-2.2 -2,-0.3 2,-0.4 -0.986 39.4-177.4-108.2 127.9 1.7 -2.2 -1.1 48 560 A Y E +EF 118 163B 0 70,-2.9 70,-3.2 -2,-0.5 2,-0.3 -0.994 10.4 161.3-128.9 127.0 4.0 -0.5 1.3 49 561 A E E +EF 117 162B 47 113,-2.4 113,-2.4 -2,-0.4 2,-0.3 -0.964 12.8 170.6-148.5 162.8 5.7 2.8 0.5 50 562 A S E -E 116 0B 0 66,-2.1 66,-2.8 -2,-0.3 2,-0.4 -0.973 36.8-110.8-161.0 152.7 7.4 5.9 1.9 51 563 A D E -EF 115 159B 20 108,-2.9 108,-1.7 -2,-0.3 2,-0.4 -0.780 39.5-165.5 -77.7 138.4 9.3 9.0 1.0 52 564 A I E +EF 114 158B 0 62,-2.9 62,-2.6 -2,-0.4 2,-0.4 -0.997 13.1 180.0-133.2 124.3 12.9 8.5 2.1 53 565 A T E - F 0 157B 18 104,-2.3 104,-2.7 -2,-0.4 2,-0.4 -0.986 17.2-148.6-124.1 118.4 15.4 11.3 2.4 54 566 A I E - F 0 156B 0 58,-0.5 57,-3.7 55,-0.4 58,-0.3 -0.731 20.6-154.3 -84.1 132.0 19.0 10.5 3.6 55 567 A K E - 0 0 48 100,-3.2 100,-0.3 -2,-0.4 5,-0.1 -0.292 28.9 -92.2 -99.7-174.5 20.5 13.4 5.5 56 568 A D E S+ 0 0 85 -2,-0.1 100,-0.1 98,-0.1 -2,-0.0 0.645 86.8 100.3 -73.5 -19.0 24.1 14.5 6.2 57 569 A G E > S+ 0 0 27 98,-0.1 3,-1.9 2,-0.1 98,-0.5 -0.001 75.4 0.7 -73.4 172.6 24.7 12.7 9.4 58 570 A N E 3 S- F 0 154B 68 1,-0.2 96,-0.2 96,-0.2 -26,-0.1 -0.241 125.1 -31.2 54.1-134.2 26.5 9.5 10.4 59 571 A G E 3 S- 0 0 17 94,-0.6 -1,-0.2 -27,-0.1 95,-0.2 0.190 78.3-113.5-104.6 16.8 28.0 7.7 7.3 60 572 A R E < S+ 0 0 122 -3,-1.9 24,-0.2 -5,-0.1 94,-0.2 0.903 70.4 145.0 53.7 49.0 25.4 8.8 4.7 61 573 A G E - 0 0 0 92,-1.9 22,-2.5 1,-0.2 23,-0.7 0.821 43.6 -42.9 -87.3-107.8 24.3 5.2 4.4 62 574 A A E -GF 82 152B 0 90,-2.4 90,-2.4 20,-0.3 2,-0.4 -0.909 27.4-155.3-138.1 154.3 20.8 3.9 3.8 63 575 A G E -GF 81 151B 0 18,-2.2 18,-2.4 -2,-0.3 2,-0.3 -0.988 28.5-173.4-126.8 142.2 17.2 4.2 4.7 64 576 A A E -GF 80 150B 0 86,-2.8 86,-2.2 -2,-0.4 2,-0.4 -0.968 31.5-130.6-141.5 149.6 14.8 1.3 4.3 65 577 A L E -GF 79 149B 0 14,-2.8 14,-2.2 -2,-0.3 2,-0.4 -0.786 30.5-159.4 -81.4 136.0 11.3 -0.1 4.4 66 578 A M E +GF 78 148B 0 82,-2.7 82,-2.9 -2,-0.4 2,-0.3 -0.969 17.1 168.1-119.6 142.4 11.1 -3.3 6.5 67 579 A F E +G 77 0B 0 10,-2.6 10,-2.7 -2,-0.4 80,-0.2 -0.958 51.8 31.1-154.9 162.9 8.3 -5.8 6.1 68 580 A R E S+ 0 0 6 77,-0.5 76,-0.2 -2,-0.3 2,-0.2 0.879 87.6 163.6 47.1 47.1 7.1 -9.3 7.0 69 581 A S E - 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