==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-MAR-09 2WCG . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,M.AGUILAR,M.I.GARCIA-MORENO,C.O.MELLET, . 988 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34848.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 97 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 13.5 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 . 10 1.0 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 . 52 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 19.0 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 4 0 0 4 4 2 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 5 3 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 0 PARALLEL BRIDGES PER LADDER . 3 1 6 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 1 A A 0 0 111 0, 0.0 25,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 78.8 1.3 -18.0 -64.5 2 2 A R - 0 0 88 21,-0.2 23,-2.1 23,-0.1 3,-0.1 -0.892 360.0-121.9 -89.3 134.4 0.7 -14.3 -64.0 3 3 A P - 0 0 91 0, 0.0 23,-0.0 0, 0.0 -1,-0.0 -0.305 27.5 -87.7 -78.7 158.2 1.8 -13.4 -60.5 4 4 A a - 0 0 25 40,-0.2 14,-0.1 38,-0.1 12,-0.1 -0.322 29.5-139.6 -51.7 133.1 -0.2 -11.8 -57.7 5 5 A I - 0 0 75 12,-0.4 12,-3.2 -3,-0.1 -1,-0.1 -0.866 33.1-144.4 -94.8 102.6 -0.3 -8.0 -57.7 6 6 A P E +A 16 0A 82 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.303 24.8 177.5 -78.4 143.9 0.0 -7.5 -53.9 7 7 A K E -A 15 0A 89 8,-2.3 8,-2.4 -2,-0.1 2,-0.4 -0.972 15.3-149.4-143.9 131.7 -1.6 -4.8 -51.9 8 8 A S E -A 14 0A 72 -2,-0.4 6,-0.1 6,-0.2 343,-0.1 -0.775 13.7-177.0 -95.0 139.6 -1.6 -4.2 -48.2 9 9 A F - 0 0 74 4,-0.5 341,-0.1 341,-0.5 -1,-0.1 0.046 68.3 -86.1-114.7 21.0 -4.5 -2.5 -46.3 10 10 A G S S+ 0 0 63 1,-0.3 2,-0.1 3,-0.1 341,-0.1 0.522 95.4 112.0 89.5 6.7 -2.6 -2.6 -43.0 11 11 A Y S S- 0 0 76 339,-0.5 -1,-0.3 2,-0.4 341,-0.1 -0.261 87.5 -74.2 -97.5-163.9 -3.5 -6.1 -41.8 12 12 A S S S+ 0 0 60 -2,-0.1 2,-0.2 -3,-0.1 340,-0.2 0.727 106.6 6.5 -72.9 -20.4 -1.2 -9.1 -41.4 13 13 A S S S- 0 0 7 338,-1.5 -4,-0.5 337,-0.1 -2,-0.4 -0.707 79.9 -88.7-143.6-168.5 -0.8 -9.9 -45.1 14 14 A V E -A 8 0A 27 26,-0.3 2,-0.3 -2,-0.2 -6,-0.2 -0.688 20.6-138.5-108.7 159.6 -1.7 -8.8 -48.6 15 15 A V E -A 7 0A 0 -8,-2.4 -8,-2.3 -2,-0.2 2,-0.5 -0.715 26.9-116.7 -99.4 163.1 -4.5 -9.2 -51.1 16 16 A a E -AB 6 409A 0 393,-1.7 393,-2.5 -2,-0.3 2,-0.4 -0.938 27.3-135.6-102.4 124.1 -4.0 -9.8 -54.8 17 17 A V E + B 0 408A 28 -12,-3.2 -12,-0.4 -2,-0.5 2,-0.3 -0.641 26.9 176.5 -86.2 127.7 -5.4 -7.0 -57.0 18 18 A b E + B 0 407A 0 389,-2.2 389,-1.9 -2,-0.4 5,-0.2 -0.909 4.1 161.6-127.8 154.2 -7.3 -8.1 -60.1 19 19 A N - 0 0 60 3,-2.9 387,-0.2 -2,-0.3 3,-0.1 -0.758 56.1 -59.5-155.8-160.7 -9.2 -5.9 -62.7 20 20 A A S S+ 0 0 26 385,-0.4 79,-0.1 1,-0.2 3,-0.1 0.771 131.8 24.8 -69.8 -26.2 -10.6 -6.0 -66.2 21 21 A T S S+ 0 0 118 1,-0.2 2,-0.4 75,-0.0 -1,-0.2 0.488 120.2 50.8-114.3 -7.2 -7.3 -6.8 -67.9 22 22 A Y + 0 0 56 -3,-0.1 -3,-2.9 2,-0.0 2,-0.3 -0.992 46.5 151.0-140.8 129.0 -5.2 -8.5 -65.2 23 23 A b - 0 0 3 -2,-0.4 -21,-0.2 -5,-0.2 -5,-0.1 -0.965 45.0-108.5-149.1 145.8 -5.6 -11.3 -62.7 24 24 A D + 0 0 14 -2,-0.3 2,-0.3 -7,-0.1 -20,-0.1 -0.407 47.2 176.4 -67.6 145.0 -3.0 -13.7 -61.1 25 25 A S 0 0 38 -23,-2.1 84,-0.2 84,-0.1 -23,-0.1 -0.934 360.0 360.0-150.2 177.5 -3.3 -17.3 -62.5 26 26 A F 0 0 74 82,-2.0 83,-0.0 -2,-0.3 19,-0.0 -0.378 360.0 360.0 -89.5 360.0 -1.8 -20.7 -62.4 27 ! 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 28 32 A P 0 0 55 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 177.3 5.9 -33.3 -61.5 29 33 A A > - 0 0 71 4,-0.1 3,-0.6 1,-0.1 2,-0.3 0.271 360.0 -45.5 -65.9-151.2 8.7 -35.1 -63.5 30 34 A L T 3 S- 0 0 79 1,-0.3 -1,-0.1 460,-0.1 3,-0.1 -0.909 114.9 -7.7-135.4 157.7 9.9 -38.4 -61.8 31 35 A G T 3 S+ 0 0 53 -2,-0.3 21,-2.4 1,-0.2 2,-0.3 0.317 107.4 105.8 -75.1 86.4 10.7 -39.2 -58.8 32 36 A T E < -E 51 0B 35 -3,-0.6 459,-0.5 19,-0.2 2,-0.3 -0.855 59.0-137.0-113.9 160.6 10.4 -35.5 -57.9 33 37 A F E -E 50 0B 2 17,-2.6 17,-1.7 -2,-0.3 2,-0.4 -0.832 10.2-131.6-111.0 156.4 7.6 -34.0 -55.8 34 38 A S E -EF 49 489B 9 455,-2.8 455,-2.4 -2,-0.3 2,-0.4 -0.884 18.1-164.8-102.2 144.2 5.8 -30.6 -56.3 35 39 A R E -EF 48 488B 39 13,-2.7 13,-2.3 -2,-0.4 2,-0.4 -0.999 4.7-165.1-128.6 126.2 5.3 -28.2 -53.5 36 40 A Y E -EF 47 487B 36 451,-2.6 451,-2.0 -2,-0.4 2,-0.4 -0.970 17.6-169.7-104.8 134.6 2.9 -25.2 -53.6 37 41 A E E -EF 46 486B 21 9,-1.8 9,-2.6 -2,-0.4 2,-0.4 -0.966 19.0-178.1-133.9 139.7 3.5 -22.6 -50.9 38 42 A S E - F 0 485B 0 447,-2.0 447,-2.3 -2,-0.4 2,-0.3 -0.999 15.4-175.2-131.2 136.5 1.6 -19.6 -49.5 39 43 A T > - 0 0 9 4,-1.5 3,-1.4 -2,-0.4 444,-0.1 -0.856 39.5-119.6-131.0 159.0 3.1 -17.4 -46.7 40 44 A R T 3 S+ 0 0 111 442,-0.4 -26,-0.3 -2,-0.3 -1,-0.1 0.863 112.2 66.7 -62.4 -31.5 2.0 -14.5 -44.6 41 45 A S T 3 S- 0 0 103 -28,-0.1 -1,-0.3 1,-0.1 -28,-0.0 0.601 130.0 -83.8 -70.9 -12.4 5.0 -12.6 -46.1 42 46 A G S < S+ 0 0 26 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.419 77.4 140.9 129.6 -2.3 3.3 -12.7 -49.5 43 47 A R - 0 0 105 1,-0.1 -4,-1.5 3,-0.0 2,-0.5 -0.522 33.0-159.7 -70.6 136.4 3.9 -15.9 -51.3 44 48 A R - 0 0 23 -2,-0.2 -6,-0.2 -6,-0.2 -40,-0.2 -0.889 63.3 -45.6-124.8 99.5 0.8 -17.0 -53.2 45 49 A M S S- 0 0 10 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.862 80.1-173.8 38.8 49.0 0.6 -20.7 -54.2 46 50 A E E -E 37 0B 98 -9,-2.6 -9,-1.8 1,-0.1 2,-0.3 -0.547 15.8-133.4 -72.5 130.4 4.3 -20.6 -55.5 47 51 A L E +E 36 0B 98 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.677 35.2 153.7 -88.0 133.3 5.5 -23.8 -57.2 48 52 A S E -E 35 0B 46 -13,-2.3 -13,-2.7 -2,-0.3 2,-0.3 -0.918 24.3-141.3-146.6 174.6 8.8 -25.5 -56.4 49 53 A M E +E 34 0B 93 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.947 14.2 178.5-141.2 158.9 10.2 -29.0 -56.7 50 54 A G E -E 33 0B 13 -17,-1.7 -17,-2.6 -2,-0.3 2,-0.3 -0.931 32.8 -89.6-153.0 170.0 12.4 -31.4 -54.8 51 55 A P E -E 32 0B 75 0, 0.0 2,-0.6 0, 0.0 426,-0.5 -0.635 26.1-131.2 -89.1 140.5 13.8 -34.9 -55.0 52 56 A I - 0 0 29 -21,-2.4 2,-0.2 -2,-0.3 424,-0.2 -0.854 34.4-147.8 -85.1 122.8 12.1 -38.0 -53.5 53 57 A Q B -G 475 0B 89 422,-3.0 422,-3.0 -2,-0.6 420,-0.1 -0.652 15.8-142.0 -94.3 150.9 15.0 -39.7 -51.5 54 58 A A S S+ 0 0 77 -2,-0.2 2,-0.3 420,-0.2 -1,-0.1 0.821 83.7 33.6 -77.6 -34.3 15.5 -43.4 -50.9 55 59 A N - 0 0 127 420,-0.1 2,-0.3 419,-0.0 420,-0.2 -0.805 59.1-170.6-124.2 162.7 16.9 -43.0 -47.4 56 60 A H + 0 0 45 -2,-0.3 2,-0.3 418,-0.1 411,-0.0 -0.968 5.7 176.1-148.9 138.0 16.4 -40.8 -44.4 57 61 A T + 0 0 138 -2,-0.3 2,-0.2 2,-0.0 3,-0.1 -0.988 34.9 76.3-136.5 152.1 18.3 -40.5 -41.1 58 62 A G S S- 0 0 54 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.688 72.6-102.6 135.9 174.3 17.8 -38.1 -38.3 59 63 A T S S+ 0 0 139 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 -0.027 73.5 124.3-117.0 16.7 15.5 -37.6 -35.3 60 64 A G S S- 0 0 40 1,-0.2 406,-0.1 -3,-0.1 2,-0.1 -0.216 77.0 -63.1 -75.6 174.4 13.5 -34.7 -36.8 61 65 A L E -h 466 0B 12 404,-0.5 406,-1.8 374,-0.1 2,-0.4 -0.340 56.8-167.9 -56.4 128.8 9.7 -34.6 -37.2 62 66 A L E -h 467 0B 37 404,-0.2 373,-2.0 -3,-0.1 2,-0.5 -0.989 11.5-161.2-125.8 130.3 8.6 -37.4 -39.6 63 67 A L E -hI 468 434B 6 404,-2.8 406,-3.1 -2,-0.4 2,-0.6 -0.960 15.1-157.5-110.1 120.3 5.1 -37.7 -41.1 64 68 A T E -hI 469 433B 27 369,-3.1 369,-1.8 -2,-0.5 406,-0.2 -0.881 8.6-137.8-111.4 116.7 4.4 -41.2 -42.4 65 69 A L E - I 0 432B 1 404,-3.0 367,-0.2 -2,-0.6 366,-0.1 -0.401 8.5-164.8 -58.2 140.1 1.7 -42.0 -45.0 66 70 A Q E > + I 0 431B 67 365,-2.5 3,-1.8 3,-0.2 365,-1.3 -0.737 13.9 175.5-122.4 79.0 -0.4 -45.1 -44.4 67 71 A P E 3 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 365,-0.0 0.537 73.1 59.7 -69.9 -6.4 -1.8 -45.5 -47.9 68 72 A E E 3 S+ 0 0 93 1,-0.1 2,-0.9 -3,-0.1 -3,-0.0 0.529 84.4 86.4-100.2 -11.1 -3.6 -48.7 -47.1 69 73 A Q E < S- 0 0 98 -3,-1.8 362,-1.2 362,-0.1 2,-0.4 -0.831 70.3-169.0 -83.2 106.4 -5.6 -47.0 -44.4 70 74 A K E + I 0 430B 90 -2,-0.9 360,-0.2 360,-0.2 3,-0.1 -0.862 13.7 167.8-109.5 133.4 -8.5 -45.7 -46.5 71 75 A F E - 0 0 67 358,-3.2 -1,-0.1 -2,-0.4 359,-0.1 0.054 45.5 -19.6-117.8-136.8 -11.1 -43.3 -45.2 72 76 A Q E - 0 0 22 295,-0.2 357,-2.4 356,-0.1 2,-0.3 -0.336 55.9-123.6 -80.1 157.0 -13.8 -41.2 -46.9 73 77 A K E - I 0 428B 128 355,-0.2 2,-0.4 297,-0.1 355,-0.2 -0.731 31.6-114.1 -91.8 144.5 -14.0 -40.2 -50.6 74 78 A V - 0 0 4 353,-2.9 352,-3.4 -2,-0.3 353,-0.2 -0.642 24.1-174.3 -88.2 130.7 -14.2 -36.5 -51.4 75 79 A K - 0 0 29 297,-2.7 2,-0.3 -2,-0.4 298,-0.2 0.878 52.6-119.0 -79.6 -51.4 -17.2 -34.8 -53.0 76 80 A G E -n 373 0C 0 296,-1.3 298,-1.7 348,-0.1 2,-0.3 -0.954 18.9 -75.0 146.9-158.3 -15.4 -31.4 -53.3 77 81 A F E +n 374 0C 1 -2,-0.3 36,-2.5 296,-0.2 37,-1.1 -0.935 48.0 118.5-142.7 146.3 -15.2 -27.7 -52.5 78 82 A G E -no 375 114C 0 296,-1.3 298,-3.5 -2,-0.3 2,-0.2 -0.942 39.0-106.8-179.0-148.7 -16.9 -24.5 -53.5 79 83 A G E - o 0 115C 0 35,-1.4 37,-2.2 -2,-0.3 2,-0.4 -0.844 33.6 -78.8-157.8 179.8 -19.0 -21.5 -52.4 80 84 A A E -no 378 116C 0 297,-2.6 299,-2.3 -2,-0.2 2,-1.1 -0.800 15.9-150.4-108.7 135.5 -22.4 -19.9 -52.5 81 85 A M + 0 0 0 35,-2.6 297,-0.1 -2,-0.4 76,-0.1 -0.666 36.1 167.1 -96.7 75.2 -24.1 -18.0 -55.2 82 86 A T > - 0 0 0 -2,-1.1 4,-2.5 35,-0.1 5,-0.2 -0.245 53.5-102.3 -73.3 170.3 -26.3 -15.6 -53.0 83 87 A D H > S+ 0 0 3 41,-0.6 4,-2.8 2,-0.2 5,-0.3 0.916 125.4 53.3 -58.4 -42.0 -28.1 -12.6 -54.4 84 88 A A H > S+ 0 0 0 40,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.899 108.9 47.0 -66.9 -38.7 -25.3 -10.5 -52.8 85 89 A A H > S+ 0 0 0 39,-0.3 4,-2.6 2,-0.2 5,-0.3 0.943 114.2 48.3 -62.9 -49.9 -22.6 -12.5 -54.6 86 90 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.931 112.0 48.7 -56.7 -44.5 -24.4 -12.3 -57.9 87 91 A L H < S+ 0 0 56 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.873 112.4 49.0 -66.1 -37.7 -25.0 -8.5 -57.5 88 92 A N H >< S+ 0 0 15 -4,-2.0 3,-0.9 -5,-0.3 4,-0.3 0.930 113.2 45.0 -64.3 -45.8 -21.3 -7.9 -56.6 89 93 A I H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.938 111.4 53.3 -67.0 -44.5 -19.9 -9.9 -59.6 90 94 A L T 3< S+ 0 0 59 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.540 94.8 70.1 -68.8 -7.4 -22.3 -8.4 -62.0 91 95 A A T < S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.592 87.7 82.2 -86.8 -7.5 -21.3 -4.9 -61.0 92 96 A L S < S- 0 0 7 -3,-1.7 310,-0.1 -4,-0.3 311,-0.0 -0.519 97.6 -91.7 -82.3 158.3 -17.9 -5.5 -62.7 93 97 A S >> - 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