==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-MAY-08 2VT0 . COMPND 2 MOLECULE: GLUCOSYLCERAMIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.BRUMSHTEIN,H.M.GREENBLATT,Y.SHAALTIEL,D.AVIEZER,I.SILMAN, . 983 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 658 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 13.9 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 . 50 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 10.1 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 2 2 0 4 4 2 0 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 4 4 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 0 6 6 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 E 0 0 105 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 179.2 -2.8 -19.4 -70.2 2 0 A F - 0 0 189 1,-0.1 2,-0.4 0, 0.0 26,-0.0 -0.575 360.0 -98.9 -76.1 147.2 0.5 -18.1 -68.7 3 1 A A - 0 0 73 -2,-0.2 25,-0.2 23,-0.1 23,-0.1 -0.612 38.8-164.5 -61.0 121.4 0.8 -17.9 -64.9 4 2 A R - 0 0 79 -2,-0.4 23,-2.2 23,-0.4 3,-0.1 -0.945 20.4-125.9-109.1 130.7 0.2 -14.1 -63.9 5 3 A P - 0 0 95 0, 0.0 2,-0.1 0, 0.0 23,-0.0 -0.272 28.8 -82.5 -81.1 169.3 1.3 -13.4 -60.4 6 4 A a - 0 0 26 40,-0.1 12,-0.1 38,-0.1 14,-0.1 -0.371 30.6-142.6 -61.4 131.2 -0.6 -11.8 -57.5 7 5 A I - 0 0 76 12,-0.4 12,-2.8 -3,-0.1 2,-0.1 -0.881 32.3-146.8 -90.2 105.5 -0.7 -8.0 -57.5 8 6 A P E +A 18 0A 82 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.407 23.8 178.1 -85.4 146.5 -0.4 -7.6 -53.8 9 7 A K E -A 17 0A 80 8,-2.2 8,-2.6 -2,-0.1 2,-0.3 -0.988 15.9-146.5-140.8 137.0 -2.0 -4.8 -51.8 10 8 A S E -A 16 0A 72 -2,-0.4 6,-0.1 6,-0.2 343,-0.1 -0.721 13.9-176.2 -96.7 144.7 -1.9 -4.2 -48.1 11 9 A F - 0 0 70 4,-0.5 341,-0.1 341,-0.4 -1,-0.1 0.105 67.0 -87.3-120.0 22.0 -4.8 -2.6 -46.1 12 10 A G S S+ 0 0 66 1,-0.3 2,-0.1 3,-0.1 341,-0.1 0.470 95.8 112.7 84.9 5.5 -2.9 -2.6 -42.8 13 11 A Y S S- 0 0 82 339,-0.5 -1,-0.3 2,-0.4 -2,-0.1 -0.342 88.0 -76.6 -97.8-166.9 -3.9 -6.1 -41.6 14 12 A S S S+ 0 0 58 -2,-0.1 2,-0.2 -3,-0.1 340,-0.2 0.723 106.2 8.5 -70.8 -19.1 -1.6 -9.1 -41.2 15 13 A S S S- 0 0 6 338,-1.2 -4,-0.5 337,-0.2 -2,-0.4 -0.773 79.1 -91.2-143.6-171.2 -1.2 -10.0 -44.9 16 14 A V E -A 10 0A 29 26,-0.4 2,-0.2 -2,-0.2 -6,-0.2 -0.658 20.8-136.9-103.4 160.6 -2.0 -8.7 -48.5 17 15 A V E -A 9 0A 0 -8,-2.6 -8,-2.2 -2,-0.2 2,-0.5 -0.682 25.7-117.1-101.1 164.5 -4.9 -9.2 -51.0 18 16 A a E -AB 8 411A 0 393,-2.0 393,-2.5 -2,-0.2 2,-0.4 -0.945 27.7-133.7-106.2 128.3 -4.3 -9.8 -54.7 19 17 A V E + B 0 410A 30 -12,-2.8 -12,-0.4 -2,-0.5 2,-0.3 -0.681 26.8 177.9 -89.9 127.0 -5.7 -7.1 -56.9 20 18 A b E + B 0 409A 0 389,-2.3 389,-2.2 -2,-0.4 5,-0.2 -0.937 5.3 161.5-129.6 145.3 -7.8 -8.1 -60.0 21 19 A N - 0 0 57 3,-2.4 387,-0.2 -2,-0.3 3,-0.1 -0.689 56.6 -61.1-147.0-164.5 -9.5 -5.8 -62.5 22 20 A A S S+ 0 0 26 385,-0.5 3,-0.1 1,-0.2 78,-0.1 0.749 131.2 23.7 -63.9 -25.7 -11.0 -5.9 -66.1 23 21 A T S S+ 0 0 112 1,-0.2 2,-0.4 75,-0.0 -1,-0.2 0.512 119.0 51.3-120.0 -6.2 -7.8 -6.9 -67.8 24 22 A Y + 0 0 52 -3,-0.1 -3,-2.4 2,-0.0 2,-0.3 -0.982 47.2 155.3-138.0 126.1 -5.6 -8.6 -65.1 25 23 A b - 0 0 3 -2,-0.4 -21,-0.2 -5,-0.2 -5,-0.1 -0.987 44.6-109.3-142.7 142.4 -6.1 -11.4 -62.7 26 24 A D + 0 0 17 -2,-0.3 2,-0.3 -7,-0.1 -20,-0.1 -0.348 50.0 163.2 -62.5 149.2 -3.5 -13.7 -61.1 27 25 A S 0 0 26 -23,-2.2 -23,-0.4 84,-0.0 84,-0.2 -0.956 360.0 360.0-158.4 173.8 -3.7 -17.3 -62.4 28 26 A F 0 0 68 82,-1.7 -24,-0.0 -2,-0.3 19,-0.0 -0.696 360.0 360.0 -99.7 360.0 -1.8 -20.6 -62.7 29 ! 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 30 32 A P 0 0 46 0, 0.0 463,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 145.7 5.6 -33.4 -61.4 31 33 A A > - 0 0 70 2,-0.1 3,-2.2 4,-0.1 462,-0.1 -0.150 360.0 -61.8 -48.9 151.3 7.9 -35.8 -63.3 32 34 A L T 3 S+ 0 0 91 1,-0.3 -1,-0.1 460,-0.1 3,-0.1 -0.300 120.0 12.2 -57.3 158.1 8.6 -39.1 -61.7 33 35 A G T 3 S+ 0 0 51 460,-0.2 21,-2.1 1,-0.2 2,-0.3 0.099 105.9 93.0 -88.8 75.9 10.1 -39.3 -58.8 34 36 A T E < -E 53 0B 39 -3,-2.2 459,-0.4 19,-0.2 2,-0.3 -0.835 61.8-134.7-113.5 167.2 9.9 -35.6 -57.9 35 37 A F E -E 52 0B 2 17,-2.7 17,-1.6 -2,-0.3 2,-0.4 -0.876 9.3-133.8-113.3 151.7 7.2 -33.9 -55.8 36 38 A S E -EF 51 491B 7 455,-2.6 455,-2.4 -2,-0.3 2,-0.4 -0.901 17.8-164.1 -96.9 143.4 5.3 -30.6 -56.4 37 39 A R E -EF 50 490B 38 13,-2.8 13,-1.7 -2,-0.4 2,-0.5 -0.994 5.6-165.1-122.5 120.9 4.9 -28.1 -53.5 38 40 A Y E -EF 49 489B 35 451,-3.0 451,-2.3 -2,-0.4 2,-0.4 -0.942 18.7-168.6 -99.5 129.5 2.4 -25.2 -53.6 39 41 A E E -EF 48 488B 29 9,-2.0 9,-3.2 -2,-0.5 2,-0.4 -0.940 17.8-179.1-125.3 138.4 3.1 -22.6 -50.9 40 42 A S E - F 0 487B 0 447,-2.2 447,-2.3 -2,-0.4 2,-0.3 -0.998 14.3-174.1-128.4 138.5 1.3 -19.6 -49.4 41 43 A T E > - F 0 486B 7 4,-2.0 3,-1.4 -2,-0.4 445,-0.2 -0.917 39.1-123.5-134.4 155.1 2.6 -17.4 -46.7 42 44 A R T 3 S+ 0 0 105 443,-2.0 -26,-0.4 -2,-0.3 -1,-0.1 0.895 111.8 64.6 -54.9 -40.7 1.7 -14.6 -44.5 43 45 A S T 3 S- 0 0 104 442,-0.3 -1,-0.3 1,-0.1 443,-0.1 0.643 130.4 -84.1 -65.7 -14.8 4.6 -12.7 -45.9 44 46 A G S < S+ 0 0 28 -3,-1.4 2,-0.2 1,-0.3 -2,-0.1 0.400 79.0 136.1 133.6 -6.2 3.0 -12.7 -49.4 45 47 A R - 0 0 109 1,-0.0 -4,-2.0 3,-0.0 2,-0.5 -0.531 35.3-159.1 -74.1 143.3 3.6 -15.9 -51.4 46 48 A R - 0 0 23 -6,-0.2 -6,-0.2 -2,-0.2 -40,-0.1 -0.925 64.0 -41.6-129.1 106.4 0.4 -17.1 -53.1 47 49 A M S S- 0 0 9 -2,-0.5 2,-0.3 1,-0.2 -7,-0.2 0.879 80.8-174.9 39.8 49.8 0.2 -20.8 -54.1 48 50 A E E -E 39 0B 85 -9,-3.2 -9,-2.0 1,-0.0 2,-0.3 -0.640 17.2-132.9 -78.4 130.6 3.9 -20.7 -55.4 49 51 A L E +E 38 0B 97 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.617 35.2 155.7 -86.4 135.2 5.0 -23.8 -57.2 50 52 A S E -E 37 0B 47 -13,-1.7 -13,-2.8 -2,-0.3 2,-0.3 -0.946 24.9-137.1-146.1 169.3 8.4 -25.5 -56.4 51 53 A M E +E 36 0B 100 -2,-0.3 -15,-0.2 -15,-0.2 -17,-0.0 -0.913 15.4 179.9-135.1 160.0 9.8 -29.0 -56.7 52 54 A G E -E 35 0B 9 -17,-1.6 -17,-2.7 -2,-0.3 2,-0.3 -0.943 30.0-101.6-151.2 161.8 11.8 -31.4 -54.9 53 55 A P E -E 34 0B 77 0, 0.0 2,-0.7 0, 0.0 426,-0.5 -0.693 25.8-129.2 -88.7 145.1 13.2 -35.0 -55.1 54 56 A I - 0 0 27 -21,-2.1 424,-0.2 -2,-0.3 2,-0.2 -0.868 32.1-147.8 -84.5 111.9 11.7 -38.0 -53.4 55 57 A Q B -G 477 0B 83 422,-2.7 422,-3.3 -2,-0.7 -22,-0.0 -0.514 13.0-140.1 -76.6 153.9 14.7 -39.6 -51.5 56 58 A A S S+ 0 0 77 420,-0.2 2,-0.2 -2,-0.2 -1,-0.1 0.811 82.7 34.8 -77.2 -33.8 15.1 -43.4 -50.9 57 59 A N - 0 0 131 420,-0.1 2,-0.3 419,-0.0 420,-0.1 -0.777 60.0-167.0-124.1 164.6 16.4 -43.1 -47.4 58 60 A H + 0 0 51 -2,-0.2 2,-0.4 418,-0.0 411,-0.0 -0.951 6.2 176.0-151.9 136.0 16.0 -40.9 -44.3 59 61 A T + 0 0 142 -2,-0.3 2,-0.2 2,-0.0 3,-0.1 -0.990 36.0 76.2-135.0 145.0 17.9 -40.5 -41.0 60 62 A G S S- 0 0 53 -2,-0.4 -2,-0.0 1,-0.1 0, 0.0 -0.669 71.8-105.1 139.7 169.6 17.4 -38.0 -38.1 61 63 A T S S+ 0 0 137 -2,-0.2 3,-0.1 2,-0.0 -1,-0.1 0.032 73.7 123.3-112.3 19.6 15.1 -37.5 -35.2 62 64 A G S S- 0 0 40 1,-0.2 406,-0.1 -3,-0.1 2,-0.1 -0.208 78.8 -64.5 -75.5 172.1 13.1 -34.6 -36.8 63 65 A L E -h 468 0B 6 404,-0.6 406,-1.9 373,-0.1 2,-0.4 -0.371 55.3-166.6 -57.8 130.5 9.3 -34.6 -37.2 64 66 A L E -h 469 0B 35 404,-0.2 373,-2.4 -3,-0.1 2,-0.5 -0.986 9.5-161.4-120.9 130.9 8.3 -37.4 -39.6 65 67 A L E -hI 470 436B 7 404,-2.8 406,-3.2 -2,-0.4 2,-0.5 -0.976 15.1-158.1-109.3 120.7 4.7 -37.7 -41.0 66 68 A T E -hI 471 435B 29 369,-3.0 369,-2.4 -2,-0.5 2,-0.2 -0.905 8.3-138.4-110.9 123.3 4.0 -41.2 -42.4 67 69 A L E - I 0 434B 2 404,-3.2 367,-0.2 -2,-0.5 3,-0.1 -0.533 6.8-160.9 -67.8 143.0 1.4 -41.9 -45.0 68 70 A Q E > + I 0 433B 63 365,-2.3 3,-2.0 -2,-0.2 365,-1.4 -0.734 13.4 178.0-123.2 77.8 -0.7 -45.1 -44.4 69 71 A P E 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 379,-0.0 0.643 76.5 57.6 -63.3 -16.6 -2.1 -45.5 -47.9 70 72 A E E 3 S+ 0 0 117 -3,-0.1 2,-0.8 362,-0.1 -3,-0.0 0.581 84.1 84.7 -90.7 -17.7 -3.9 -48.7 -47.0 71 73 A Q E < S- 0 0 89 -3,-2.0 362,-1.2 362,-0.1 2,-0.4 -0.815 70.8-171.4 -78.6 108.1 -6.0 -47.0 -44.2 72 74 A K E + I 0 432B 93 -2,-0.8 360,-0.2 360,-0.2 3,-0.1 -0.889 13.2 166.6-113.3 136.7 -8.8 -45.7 -46.4 73 75 A F E - 0 0 73 358,-3.4 -1,-0.1 -2,-0.4 2,-0.1 0.091 44.7 -14.3-122.8-129.3 -11.6 -43.3 -45.2 74 76 A Q E - 0 0 21 295,-0.2 357,-2.4 356,-0.1 2,-0.4 -0.365 56.3-123.2 -82.3 153.6 -14.2 -41.1 -46.9 75 77 A K E - I 0 430B 132 355,-0.2 2,-0.3 297,-0.1 355,-0.2 -0.756 32.1-115.8 -88.6 142.1 -14.4 -40.2 -50.5 76 78 A V - 0 0 4 353,-3.2 352,-3.5 -2,-0.4 299,-0.2 -0.590 24.3-174.0 -83.6 131.5 -14.5 -36.5 -51.3 77 79 A K - 0 0 27 297,-3.1 2,-0.3 -2,-0.3 298,-0.2 0.871 51.2-111.9 -83.8 -48.6 -17.5 -34.9 -52.9 78 80 A G E -n 375 0C 0 296,-1.3 298,-1.6 348,-0.1 2,-0.3 -0.986 20.1 -81.3 150.7-163.4 -15.9 -31.4 -53.3 79 81 A F E +n 376 0C 1 -2,-0.3 36,-2.4 296,-0.2 37,-1.2 -0.964 46.7 120.5-144.1 145.0 -15.6 -27.7 -52.4 80 82 A G E -no 377 116C 0 296,-1.5 298,-3.1 -2,-0.3 2,-0.2 -0.938 39.4-109.9-177.5-152.5 -17.3 -24.5 -53.4 81 83 A G E - o 0 117C 0 35,-1.5 37,-2.1 -2,-0.3 2,-0.4 -0.850 35.7 -77.8-153.5-175.9 -19.3 -21.5 -52.2 82 84 A A E -no 380 118C 0 297,-3.3 299,-2.1 -2,-0.2 2,-1.3 -0.786 17.8-148.9-107.1 135.6 -22.8 -19.9 -52.3 83 85 A M + 0 0 0 35,-2.8 297,-0.1 -2,-0.4 76,-0.1 -0.645 37.7 168.6 -93.9 76.4 -24.4 -18.0 -55.2 84 86 A T > - 0 0 0 -2,-1.3 4,-2.9 35,-0.1 5,-0.2 -0.310 52.1-104.7 -72.1 166.9 -26.6 -15.7 -53.0 85 87 A D H > S+ 0 0 4 41,-0.5 4,-2.7 1,-0.2 5,-0.2 0.902 125.2 51.8 -53.3 -43.2 -28.5 -12.6 -54.3 86 88 A A H > S+ 0 0 0 40,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.904 109.5 47.4 -66.4 -42.5 -25.7 -10.5 -52.7 87 89 A A H > S+ 0 0 0 39,-0.3 4,-2.4 2,-0.2 5,-0.2 0.948 113.5 48.7 -64.0 -46.6 -22.9 -12.5 -54.4 88 90 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.912 111.7 49.1 -58.0 -46.2 -24.8 -12.2 -57.8 89 91 A L H X S+ 0 0 58 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.896 112.4 48.6 -58.1 -44.2 -25.3 -8.4 -57.4 90 92 A N H < S+ 0 0 11 -4,-2.2 3,-0.4 -5,-0.2 4,-0.3 0.919 113.4 44.6 -60.1 -47.8 -21.7 -7.9 -56.5 91 93 A I H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.915 112.6 51.8 -67.0 -42.3 -20.3 -9.9 -59.4 92 94 A L H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.645 96.1 70.8 -71.8 -15.9 -22.7 -8.3 -62.0 93 95 A A T 3< S+ 0 0 33 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.648 87.6 82.3 -69.0 -21.9 -21.6 -4.9 -60.7 94 96 A L S < S- 0 0 5 -3,-1.7 310,-0.1 -4,-0.3 311,-0.0 -0.497 97.0 -97.6 -80.1 158.1 -18.3 -5.6 -62.5 95 97 A S >> - 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