==== 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 HYDROLASE 06-NOV-06 2NT1 . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.L.LIEBERMAN,G.A.PETSKO,D.RINGE . 1988 4 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1333 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 209 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 274 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 18 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 120 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 191 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 380 19.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.3 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 6 2 4 7 3 0 8 6 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 6 11 8 6 4 2 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 . 7 4 10 4 0 12 12 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 4 0 0 0 4 4 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 1 A A 0 0 77 0, 0.0 25,-0.1 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 -79.5 -25.1 -5.1 74.8 2 2 A R - 0 0 114 21,-0.2 23,-1.4 1,-0.1 20,-0.0 -0.766 360.0-130.6 -98.7 134.9 -23.1 -8.3 73.9 3 3 A P - 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.179 32.7 -87.8 -70.8 163.5 -19.2 -8.6 73.8 4 4 A a - 0 0 29 44,-0.2 14,-0.1 20,-0.1 12,-0.1 -0.513 30.1-143.2 -62.7 131.3 -17.1 -10.0 71.0 5 5 A I - 0 0 76 12,-0.3 12,-2.7 -2,-0.2 2,-0.1 -0.899 28.9-141.2 -91.3 103.2 -16.4 -13.8 71.3 6 6 A P E +A 16 0A 86 0, 0.0 2,-0.3 0, 0.0 10,-0.2 -0.393 24.5 178.0 -72.9 144.0 -12.8 -14.1 70.0 7 7 A K E -A 15 0A 98 8,-1.9 8,-2.5 -2,-0.1 2,-0.4 -0.975 14.9-149.5-140.5 134.9 -11.4 -16.8 67.9 8 8 A S + 0 0 75 -2,-0.3 6,-0.1 6,-0.2 347,-0.1 -0.841 15.5 179.9 -99.2 133.7 -7.8 -17.1 66.5 9 9 A F S S- 0 0 80 345,-0.7 345,-0.1 4,-0.5 -1,-0.1 0.003 70.3 -84.4-114.2 21.5 -7.0 -18.9 63.1 10 10 A G S S+ 0 0 66 1,-0.3 2,-0.1 3,-0.1 345,-0.1 0.614 95.4 114.7 89.4 15.0 -3.3 -18.2 63.5 11 11 A Y S S- 0 0 75 343,-0.5 -1,-0.3 2,-0.5 345,-0.1 -0.388 85.3 -81.1-103.0-171.6 -3.1 -14.6 62.0 12 12 A S S S+ 0 0 58 -2,-0.1 2,-0.2 -3,-0.1 344,-0.2 0.762 105.7 12.8 -70.9 -23.7 -2.2 -11.4 63.9 13 13 A S S S- 0 0 6 342,-1.3 -4,-0.5 341,-0.1 -2,-0.5 -0.706 81.7 -89.6-134.2-170.8 -5.6 -10.9 65.5 14 14 A V - 0 0 26 30,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.653 19.6-137.5-100.6 156.0 -8.9 -12.4 66.2 15 15 A V E -A 7 0A 0 -8,-2.5 -8,-1.9 -2,-0.2 2,-0.5 -0.697 28.4-116.0 -92.6 162.1 -12.3 -12.7 64.5 16 16 A a E -AB 6 413A 0 397,-2.0 397,-2.3 -2,-0.3 2,-0.5 -0.912 28.3-134.2-100.9 125.5 -15.6 -12.3 66.4 17 17 A V E + B 0 412A 31 -12,-2.7 -12,-0.3 -2,-0.5 2,-0.3 -0.673 29.5 172.6 -88.1 124.1 -17.7 -15.5 66.4 18 18 A b E + B 0 411A 0 393,-2.5 393,-2.1 -2,-0.5 5,-0.2 -0.888 3.8 156.7-126.3 158.6 -21.4 -15.2 65.7 19 19 A N - 0 0 58 3,-2.2 391,-0.2 -2,-0.3 84,-0.1 -0.733 59.3 -57.8-157.9-156.8 -24.1 -17.8 65.1 20 20 A A S S+ 0 0 24 389,-0.5 3,-0.1 -2,-0.2 82,-0.1 0.716 131.3 28.4 -75.0 -21.6 -28.0 -18.2 65.3 21 21 A T S S+ 0 0 115 1,-0.2 2,-0.3 79,-0.0 -1,-0.2 0.509 120.1 42.7-116.7 -6.6 -28.2 -17.3 69.0 22 22 A Y + 0 0 42 2,-0.0 -3,-2.2 -20,-0.0 2,-0.3 -0.965 47.6 153.5-150.8 121.0 -25.3 -14.9 69.7 23 23 A b - 0 0 7 -2,-0.3 2,-0.2 -5,-0.2 -21,-0.2 -0.975 45.4-109.8-138.0 148.6 -23.7 -12.0 67.9 24 24 A D + 0 0 12 -2,-0.3 2,-0.2 -7,-0.1 -20,-0.1 -0.576 52.2 159.1 -67.2 137.1 -21.8 -9.1 69.5 25 25 A S - 0 0 46 -23,-1.4 2,-0.3 -2,-0.2 88,-0.2 -0.863 33.4-101.0-149.4-178.8 -23.7 -5.8 69.2 26 26 A F - 0 0 30 86,-2.1 -24,-0.0 -2,-0.2 85,-0.0 -0.837 24.7-117.9-113.3 152.0 -24.2 -2.3 70.6 27 27 A D - 0 0 108 -2,-0.3 3,-0.1 1,-0.1 86,-0.0 -0.498 60.9 -75.6 -72.7 152.8 -26.6 -0.6 73.0 28 28 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 84,-0.1 -0.269 69.3 -83.7 -52.9 140.8 -28.6 2.2 71.2 29 29 A P + 0 0 61 0, 0.0 2,-0.4 0, 0.0 83,-0.0 -0.235 54.6 175.4 -53.7 128.4 -26.3 5.3 70.8 30 30 A T - 0 0 108 -3,-0.1 -3,-0.0 -2,-0.0 0, 0.0 -0.975 9.2-163.8-143.8 120.3 -26.1 7.6 73.9 31 31 A F - 0 0 73 -2,-0.4 463,-0.1 1,-0.1 6,-0.0 -0.896 13.4-123.3-120.9 137.2 -23.8 10.6 74.1 32 32 A P - 0 0 26 0, 0.0 463,-0.3 0, 0.0 4,-0.1 -0.002 33.7 -76.4 -74.6 171.3 -22.6 12.7 77.2 33 33 A A > - 0 0 70 1,-0.2 3,-1.9 2,-0.1 462,-0.2 -0.078 61.2 -77.7 -60.9 159.8 -22.6 16.3 78.4 34 34 A L T 3 S+ 0 0 83 1,-0.2 -1,-0.2 460,-0.1 462,-0.1 -0.380 123.4 43.1 -50.2 136.5 -20.4 19.1 77.0 35 35 A G T 3 S+ 0 0 25 460,-0.4 21,-3.3 1,-0.3 2,-0.4 0.213 103.1 86.6 101.6 -9.6 -17.0 18.6 78.8 36 36 A T E < -E 55 0B 46 -3,-1.9 459,-0.6 19,-0.3 2,-0.3 -0.934 57.6-162.1-123.5 143.9 -17.1 14.8 78.2 37 37 A F E -EF 54 494B 6 17,-2.3 17,-1.4 -2,-0.4 2,-0.4 -0.860 12.4-137.8-117.1 159.8 -16.1 12.6 75.3 38 38 A S E -EF 53 493B 0 455,-2.6 455,-2.3 -2,-0.3 2,-0.5 -0.956 17.3-165.1-108.4 139.9 -16.8 9.1 74.1 39 39 A R E -EF 52 492B 41 13,-2.7 13,-2.0 -2,-0.4 2,-0.5 -0.988 6.4-163.4-123.6 125.6 -14.0 6.9 72.8 40 40 A Y E -EF 51 491B 15 451,-3.1 451,-2.3 -2,-0.5 2,-0.4 -0.959 18.6-166.5-103.2 128.4 -14.5 3.6 70.9 41 41 A E E +EF 50 490B 29 9,-2.3 9,-2.4 -2,-0.5 2,-0.4 -0.948 18.2 178.0-122.7 128.2 -11.3 1.5 70.8 42 42 A S E - F 0 489B 0 447,-2.5 447,-2.3 -2,-0.4 2,-0.3 -0.976 15.7-174.7-119.1 139.2 -10.3 -1.6 68.7 43 43 A T E > - F 0 488B 8 4,-1.9 3,-1.4 -2,-0.4 445,-0.2 -0.950 39.3-122.6-130.9 160.8 -6.9 -3.1 69.1 44 44 A R T 3 S+ 0 0 90 443,-2.4 -30,-0.3 442,-0.3 -1,-0.1 0.877 112.4 66.3 -62.5 -32.8 -4.8 -5.8 67.5 45 45 A S T 3 S- 0 0 105 442,-0.3 -1,-0.3 -32,-0.1 443,-0.1 0.629 130.2 -84.5 -66.7 -16.8 -4.6 -7.3 71.0 46 46 A G S < S+ 0 0 26 -3,-1.4 -2,-0.1 1,-0.3 2,-0.1 0.348 79.6 135.5 136.0 -9.5 -8.4 -8.1 70.9 47 47 A R - 0 0 119 1,-0.0 -4,-1.9 3,-0.0 2,-0.5 -0.455 35.2-160.3 -67.7 139.3 -10.5 -5.0 72.0 48 48 A R - 0 0 18 -6,-0.2 -6,-0.2 -2,-0.1 -44,-0.2 -0.855 62.8 -42.1-131.6 99.1 -13.5 -4.5 69.6 49 49 A M S S- 0 0 7 -2,-0.5 2,-0.4 1,-0.2 -7,-0.2 0.907 81.4-178.8 49.3 49.9 -15.2 -1.1 69.5 50 50 A E E -E 41 0B 85 -9,-2.4 -9,-2.3 1,-0.0 2,-0.3 -0.698 16.8-136.0 -85.3 133.3 -15.0 -0.9 73.3 51 51 A L E +E 40 0B 91 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.646 31.0 158.0 -97.0 133.2 -16.5 2.2 74.8 52 52 A S E -E 39 0B 49 -13,-2.0 -13,-2.7 -2,-0.3 2,-0.3 -0.935 21.4-147.6-136.3 169.6 -15.1 4.5 77.5 53 53 A M E +E 38 0B 93 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.892 21.3 156.5-124.9 159.2 -15.7 8.1 78.5 54 54 A G E -E 37 0B 16 -17,-1.4 -17,-2.3 -2,-0.3 2,-0.2 -0.955 36.2 -62.7-161.1-166.6 -13.6 10.8 79.9 55 55 A P E -E 36 0B 77 0, 0.0 2,-0.7 0, 0.0 426,-0.4 -0.577 16.6-150.8 -87.5 144.3 -13.0 14.6 80.4 56 56 A I - 0 0 14 -21,-3.3 424,-0.2 -2,-0.2 2,-0.2 -0.929 37.4-162.8-105.8 107.2 -12.3 17.4 78.1 57 57 A Q B -G 479 0B 66 422,-2.5 422,-3.5 -2,-0.7 420,-0.1 -0.508 29.7-131.3-100.4 156.2 -10.3 19.7 80.4 58 58 A A S S+ 0 0 80 420,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.766 89.2 64.1 -74.3 -29.3 -9.4 23.4 80.3 59 59 A N S S- 0 0 132 420,-0.1 2,-0.7 419,-0.0 -2,-0.2 -0.868 77.9-131.9-110.0 145.0 -5.7 22.8 81.0 60 60 A H + 0 0 76 -2,-0.4 -2,-0.0 1,-0.1 411,-0.0 -0.763 28.8 166.4 -94.2 106.3 -3.2 21.0 78.8 61 61 A T + 0 0 110 -2,-0.7 2,-0.3 418,-0.0 -1,-0.1 0.468 48.7 106.9 -95.7 -3.9 -1.0 18.3 80.5 62 62 A G + 0 0 21 1,-0.1 409,-0.1 2,-0.0 -2,-0.1 -0.579 38.9 177.0 -76.9 131.7 0.2 16.8 77.2 63 63 A T + 0 0 149 -2,-0.3 -1,-0.1 2,-0.0 3,-0.1 0.339 64.3 65.7-111.2 3.3 3.7 17.5 76.1 64 64 A G S S- 0 0 33 1,-0.3 406,-0.1 404,-0.0 -2,-0.0 0.023 100.4 -17.3-103.3-151.1 3.6 15.3 72.9 65 65 A L E -h 470 0B 5 404,-0.6 406,-1.8 -2,-0.0 2,-0.4 -0.266 57.2-161.4 -56.9 139.9 1.6 15.5 69.6 66 66 A L E -h 471 0B 31 404,-0.2 373,-2.4 -3,-0.1 2,-0.5 -0.985 6.4-160.5-122.3 130.9 -1.5 17.8 69.6 67 67 A L E -hI 472 438B 5 404,-2.6 406,-2.8 -2,-0.4 2,-0.6 -0.981 14.0-156.3-107.8 124.6 -4.3 17.6 67.0 68 68 A T E -hI 473 437B 25 369,-2.7 369,-3.5 -2,-0.5 2,-0.2 -0.933 10.5-135.4-109.3 120.8 -6.4 20.8 66.8 69 69 A L E - I 0 436B 0 404,-3.1 367,-0.2 -2,-0.6 3,-0.1 -0.512 16.1-168.6 -63.6 131.2 -9.9 20.7 65.5 70 70 A Q E > + I 0 435B 77 365,-2.5 3,-2.2 -2,-0.2 365,-1.4 -0.749 9.3 176.5-126.9 80.0 -10.5 23.6 63.1 71 71 A P E 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 379,-0.1 0.734 76.4 64.6 -63.5 -22.8 -14.3 23.6 62.6 72 72 A E E 3 S+ 0 0 164 1,-0.1 2,-0.9 -3,-0.1 -3,-0.0 0.550 84.3 82.0 -76.5 -8.0 -14.1 26.7 60.5 73 73 A Q E < S- 0 0 103 -3,-2.2 362,-1.7 362,-0.1 2,-0.3 -0.853 71.5-175.7-100.0 104.9 -12.1 24.8 57.9 74 74 A K E + I 0 434B 91 -2,-0.9 360,-0.2 360,-0.2 3,-0.1 -0.823 12.1 161.2-112.8 134.1 -15.0 23.0 56.0 75 75 A F E - 0 0 62 358,-2.7 2,-0.1 -2,-0.3 -1,-0.1 0.004 46.3 -14.9-125.8-137.5 -14.7 20.4 53.2 76 76 A Q E - 0 0 24 295,-0.2 357,-2.8 356,-0.1 2,-0.3 -0.389 56.1-126.5 -76.5 150.1 -16.9 17.8 51.5 77 77 A K E - I 0 432B 124 355,-0.2 2,-0.4 -2,-0.1 355,-0.2 -0.760 31.4-115.1 -91.9 144.6 -20.2 16.4 53.0 78 78 A V - 0 0 4 353,-2.7 352,-2.8 -2,-0.3 353,-0.4 -0.699 23.6-172.0 -92.8 129.4 -20.4 12.7 53.3 79 79 A K - 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