==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-10 2XWD . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,M.AGUILAR-MONCAYO,J.M.BENITO,C.ORTIZ MELLET, . 985 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35025.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 667 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 60 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 4 0 2 3 2 0 4 3 2 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 4 3 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 PARALLEL BRIDGES PER LADDER . 3 3 4 2 2 6 4 0 0 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 . 0 0 0 2 0 0 0 2 2 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 0 A F 0 0 228 0, 0.0 2,-1.0 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 139.9 -9.6 -17.8 -28.3 2 1 A A - 0 0 80 23,-0.1 25,-0.2 1,-0.0 23,-0.1 -0.653 360.0-171.6 -76.9 103.2 -8.9 -17.3 -24.7 3 2 A R - 0 0 95 -2,-1.0 23,-2.4 21,-0.1 2,-0.0 -0.844 22.6-127.0 -89.6 128.8 -9.6 -13.6 -23.8 4 3 A P - 0 0 93 0, 0.0 23,-0.0 0, 0.0 -1,-0.0 -0.308 27.5 -84.8 -82.7 165.0 -8.5 -12.8 -20.3 5 4 A a - 0 0 24 40,-0.2 14,-0.1 38,-0.1 12,-0.1 -0.355 29.9-138.9 -58.5 133.4 -10.4 -11.2 -17.4 6 5 A I - 0 0 79 12,-0.3 12,-2.6 2,-0.0 -1,-0.1 -0.856 31.9-144.5 -87.7 96.1 -10.6 -7.3 -17.4 7 6 A P E +A 17 0A 85 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.353 25.6 173.6 -70.8 141.7 -10.1 -6.8 -13.7 8 7 A K E -A 16 0A 90 8,-2.0 8,-2.8 -2,-0.1 2,-0.3 -0.974 17.8-147.4-143.7 136.4 -11.8 -4.0 -11.7 9 8 A S - 0 0 73 -2,-0.3 6,-0.1 6,-0.2 343,-0.1 -0.738 13.0-176.5 -99.8 145.1 -11.8 -3.4 -8.0 10 9 A F - 0 0 73 4,-0.5 341,-0.1 341,-0.4 -1,-0.1 0.168 67.3 -81.9-125.1 15.4 -14.8 -1.9 -6.1 11 10 A G S S+ 0 0 66 1,-0.3 2,-0.1 3,-0.1 341,-0.1 0.325 97.7 106.7 102.1 -3.4 -13.2 -1.8 -2.7 12 11 A Y S S- 0 0 65 339,-0.5 -1,-0.3 2,-0.3 341,-0.1 -0.232 87.8 -76.2 -99.2-167.4 -13.7 -5.3 -1.5 13 12 A S S S+ 0 0 59 -2,-0.1 2,-0.2 -3,-0.1 340,-0.2 0.708 105.7 9.2 -72.7 -21.9 -11.4 -8.3 -1.2 14 13 A S S S- 0 0 6 338,-1.2 -4,-0.5 337,-0.1 -2,-0.3 -0.767 81.2 -93.1-143.8-174.4 -11.0 -9.3 -4.9 15 14 A V - 0 0 29 26,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.584 21.4-134.7-104.6 164.3 -11.9 -8.0 -8.3 16 15 A V E -A 8 0A 0 -8,-2.8 -8,-2.0 -2,-0.2 2,-0.6 -0.765 25.8-117.0-103.1 162.7 -14.8 -8.5 -10.8 17 16 A a E -AB 7 410A 0 393,-2.3 393,-2.8 -2,-0.3 2,-0.5 -0.916 27.7-136.6-102.8 125.1 -14.3 -9.1 -14.5 18 17 A V E - B 0 409A 28 -12,-2.6 2,-0.3 -2,-0.6 -12,-0.3 -0.689 23.8-178.5 -88.9 123.8 -15.7 -6.4 -16.7 19 18 A b E + B 0 408A 0 389,-2.6 389,-2.3 -2,-0.5 5,-0.2 -0.895 6.2 164.3-119.6 148.9 -17.7 -7.4 -19.7 20 19 A N - 0 0 58 3,-2.8 3,-0.3 -2,-0.3 387,-0.2 -0.721 54.5 -65.5-145.7-163.5 -19.4 -5.2 -22.4 21 20 A A S S+ 0 0 28 385,-0.4 3,-0.1 1,-0.2 79,-0.1 0.788 130.7 26.2 -67.8 -28.0 -20.9 -5.3 -25.9 22 21 A T S S+ 0 0 109 1,-0.2 2,-0.4 75,-0.0 -1,-0.2 0.437 121.3 49.0-112.1 -3.9 -17.6 -6.1 -27.6 23 22 A Y + 0 0 52 -3,-0.3 -3,-2.8 2,-0.0 2,-0.3 -0.929 45.0 151.0-150.4 122.2 -15.6 -7.9 -24.9 24 23 A b - 0 0 5 -2,-0.4 -21,-0.1 -5,-0.2 -5,-0.1 -0.973 45.6-107.1-136.1 152.2 -16.0 -10.6 -22.4 25 24 A D + 0 0 16 -2,-0.3 2,-0.3 -23,-0.1 -20,-0.1 -0.472 51.4 154.3 -74.5 151.2 -13.4 -13.0 -20.9 26 25 A S 0 0 27 -23,-2.4 84,-0.2 -2,-0.1 -23,-0.1 -0.959 360.0 360.0-162.8 179.5 -13.4 -16.7 -22.1 27 26 A F 0 0 67 82,-1.5 -24,-0.1 -2,-0.3 19,-0.0 -0.640 360.0 360.0-108.8 360.0 -11.7 -20.0 -22.8 28 ! 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 29 32 A P 0 0 78 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-149.8 -4.7 -32.9 -21.9 30 33 A A > - 0 0 59 1,-0.0 3,-1.0 4,-0.0 462,-0.3 -0.694 360.0 -87.7-103.7 166.2 -1.7 -35.1 -22.9 31 34 A L T 3 S+ 0 0 93 -2,-0.2 3,-0.1 1,-0.2 462,-0.1 -0.509 113.2 23.3 -81.1 150.9 -1.0 -38.5 -21.2 32 35 A G T 3 S+ 0 0 47 460,-0.3 21,-3.7 1,-0.3 2,-0.3 0.544 112.6 103.9 69.1 8.8 1.1 -38.7 -18.0 33 36 A T E < -E 52 0B 35 -3,-1.0 459,-0.5 19,-0.3 2,-0.3 -0.917 56.4-157.5-123.1 142.6 -0.0 -35.1 -17.7 34 37 A F E -E 51 0B 2 17,-2.7 17,-1.5 -2,-0.3 2,-0.4 -0.876 11.3-138.7-112.0 153.9 -2.6 -33.2 -15.5 35 38 A S E -EF 50 490B 6 455,-2.7 455,-2.2 -2,-0.3 2,-0.4 -0.876 15.1-165.1-103.5 145.0 -4.4 -29.9 -16.1 36 39 A R E -EF 49 489B 36 13,-2.7 13,-1.6 -2,-0.4 2,-0.4 -0.993 5.3-163.4-126.0 133.1 -4.9 -27.4 -13.2 37 40 A Y E -EF 48 488B 33 451,-2.2 451,-2.0 -2,-0.4 2,-0.4 -0.989 18.2-165.8-115.0 132.3 -7.4 -24.4 -13.3 38 41 A E E -EF 47 487B 27 9,-1.9 9,-2.2 -2,-0.4 2,-0.4 -0.949 19.2-179.3-128.1 134.2 -6.7 -21.9 -10.6 39 42 A S E - F 0 486B 0 447,-2.5 447,-2.8 -2,-0.4 2,-0.3 -0.999 15.2-179.0-128.6 131.5 -8.6 -19.0 -9.2 40 43 A T > - 0 0 10 4,-1.3 3,-1.3 -2,-0.4 444,-0.1 -0.855 40.0-119.9-124.0 160.0 -7.1 -16.8 -6.4 41 44 A R T 3 S+ 0 0 111 442,-0.4 -26,-0.3 -2,-0.3 -1,-0.1 0.852 110.8 68.2 -63.8 -32.0 -8.2 -13.8 -4.4 42 45 A S T 3 S- 0 0 100 -28,-0.1 -1,-0.3 1,-0.1 -28,-0.0 0.630 129.4 -85.0 -70.2 -12.8 -5.2 -12.0 -5.8 43 46 A G S < S+ 0 0 28 -3,-1.3 2,-0.2 1,-0.3 -2,-0.1 0.385 77.2 141.4 132.5 -2.0 -6.9 -12.0 -9.2 44 47 A R - 0 0 113 1,-0.1 -4,-1.3 3,-0.0 2,-0.5 -0.531 33.2-159.6 -73.4 136.1 -6.2 -15.2 -11.1 45 48 A R - 0 0 23 -2,-0.2 -6,-0.2 -6,-0.2 -40,-0.2 -0.865 62.7 -44.4-125.1 100.7 -9.4 -16.3 -13.0 46 49 A M S S- 0 0 8 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.871 80.4-176.2 41.0 48.6 -9.6 -20.0 -14.1 47 50 A E E -E 38 0B 92 -9,-2.2 -9,-1.9 1,-0.1 2,-0.3 -0.566 16.9-132.8 -74.8 132.9 -5.9 -19.9 -15.3 48 51 A L E +E 37 0B 88 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.600 33.2 157.9 -90.0 141.1 -4.7 -23.1 -17.0 49 52 A S E -E 36 0B 43 -13,-1.6 -13,-2.7 -2,-0.3 2,-0.3 -0.962 23.4-141.5-152.4 161.5 -1.4 -24.9 -16.2 50 53 A M E +E 35 0B 109 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.801 15.6 177.0-125.7 165.9 -0.1 -28.4 -16.6 51 54 A G E -E 34 0B 15 -17,-1.5 -17,-2.7 -2,-0.3 2,-0.2 -0.980 33.2 -92.8-163.4 160.4 2.1 -30.8 -14.6 52 55 A P E -E 33 0B 75 0, 0.0 2,-0.8 0, 0.0 426,-0.5 -0.586 24.5-130.3 -88.1 145.3 3.4 -34.3 -14.8 53 56 A I - 0 0 23 -21,-3.7 424,-0.2 -2,-0.2 2,-0.1 -0.847 36.9-148.8 -84.2 115.9 1.8 -37.3 -13.2 54 57 A Q B -G 476 0B 94 422,-3.0 422,-3.1 -2,-0.8 420,-0.1 -0.458 12.5-139.1 -89.0 161.1 4.8 -38.8 -11.4 55 58 A A S S+ 0 0 80 420,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.864 81.1 30.5 -90.4 -41.9 5.4 -42.5 -10.7 56 59 A N - 0 0 140 420,-0.1 2,-0.3 419,-0.1 420,-0.2 -0.736 63.1-166.3-116.0 162.6 6.8 -42.5 -7.2 57 60 A H - 0 0 48 -2,-0.3 2,-0.4 418,-0.1 411,-0.0 -0.985 5.2-179.5-148.9 147.1 6.2 -40.2 -4.2 58 61 A T + 0 0 135 -2,-0.3 2,-0.2 0, 0.0 3,-0.1 -0.993 32.3 70.5-146.4 136.0 8.0 -39.8 -0.9 59 62 A G S S- 0 0 53 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.709 70.6 -99.4 143.7 173.2 7.4 -37.5 2.1 60 63 A T S S+ 0 0 139 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.121 74.6 122.8-108.3 14.8 5.2 -36.8 5.0 61 64 A G S S- 0 0 41 1,-0.2 2,-0.2 -3,-0.1 406,-0.1 -0.184 79.4 -66.0 -69.2 170.3 3.3 -33.9 3.4 62 65 A L E -h 467 0B 9 404,-0.6 406,-1.8 374,-0.1 2,-0.4 -0.443 57.1-165.9 -59.2 127.2 -0.5 -33.9 3.1 63 66 A L E -h 468 0B 35 404,-0.2 373,-2.7 -2,-0.2 2,-0.6 -0.980 11.7-161.6-121.7 127.3 -1.6 -36.7 0.7 64 67 A L E -hI 469 435B 6 404,-3.2 406,-2.7 -2,-0.4 2,-0.6 -0.940 14.4-160.1-109.2 113.9 -5.1 -37.0 -0.8 65 68 A T E -hI 470 434B 26 369,-2.7 369,-2.2 -2,-0.6 406,-0.2 -0.831 9.4-136.9-104.2 124.3 -5.7 -40.5 -2.1 66 69 A L E - I 0 433B 1 404,-3.2 367,-0.3 -2,-0.6 366,-0.1 -0.491 8.6-162.9 -68.5 144.9 -8.4 -41.3 -4.7 67 70 A Q E > + I 0 432B 55 365,-2.5 3,-2.0 -2,-0.2 365,-1.2 -0.696 14.2 173.1-124.9 76.6 -10.6 -44.3 -4.2 68 71 A P E 3 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 365,-0.0 0.553 74.9 62.7 -68.6 -6.0 -12.1 -44.8 -7.7 69 72 A E E 3 S+ 0 0 129 1,-0.1 2,-0.9 -3,-0.1 -3,-0.0 0.552 84.5 82.7 -92.5 -13.2 -13.7 -48.1 -6.6 70 73 A Q E < S- 0 0 91 -3,-2.0 362,-1.2 362,-0.1 2,-0.4 -0.839 70.3-171.0 -89.5 102.9 -15.9 -46.3 -4.0 71 74 A K E + I 0 431B 98 -2,-0.9 360,-0.2 360,-0.2 2,-0.1 -0.831 12.5 163.6-103.1 136.8 -18.7 -45.1 -6.2 72 75 A F E - 0 0 70 358,-2.6 -1,-0.1 -2,-0.4 359,-0.1 -0.033 45.7 -11.8-122.9-134.8 -21.4 -42.7 -4.9 73 76 A Q E - 0 0 19 295,-0.2 357,-2.5 356,-0.1 2,-0.3 -0.332 57.2-126.3 -72.8 149.1 -24.0 -40.4 -6.5 74 77 A K E - I 0 429B 136 355,-0.2 2,-0.4 297,-0.1 355,-0.2 -0.754 32.1-114.1 -87.8 142.8 -24.2 -39.5 -10.2 75 78 A V - 0 0 4 353,-3.1 352,-2.3 -2,-0.3 353,-0.2 -0.599 24.9-173.7 -87.5 129.5 -24.3 -35.8 -11.0 76 79 A K - 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