==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-OCT-10 3P2N . COMPND 2 MOLECULE: 3,6-ANHYDRO-ALPHA-L-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOBELLIA GALACTANIVORANS; . AUTHOR E.REBUFFET,T.BARBEYRON,M.CZJZEK,G.MICHEL . 724 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 220 30.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 . 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 . 62 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0 0 2 1 1 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 . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 11 4 6 4 1 7 4 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 . 8 0 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 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 38 A T 0 0 172 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.0 9.9 10.0 -16.4 2 39 A F - 0 0 93 4,-0.0 24,-0.0 5,-0.0 13,-0.0 -0.795 360.0-130.0 175.5 146.2 13.1 10.2 -18.7 3 40 A T > - 0 0 67 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.548 33.2-109.8 -94.6 170.4 14.9 12.4 -21.3 4 41 A P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.800 121.0 53.6 -61.1 -32.6 16.3 11.3 -24.7 5 42 A E H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.916 108.4 47.5 -68.7 -47.6 19.8 11.8 -23.2 6 43 A Q H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 6,-0.2 0.865 110.8 52.0 -59.5 -43.1 19.1 9.6 -20.3 7 44 A I H X>S+ 0 0 25 -4,-1.8 5,-1.8 1,-0.2 4,-0.9 0.902 112.8 45.5 -61.5 -41.9 17.7 6.9 -22.5 8 45 A D H <5S+ 0 0 37 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.885 112.3 50.7 -68.7 -42.2 20.8 7.0 -24.7 9 46 A H H <5S+ 0 0 73 -4,-2.5 592,-0.2 1,-0.2 -2,-0.2 0.919 114.8 44.0 -61.9 -44.1 23.2 7.0 -21.6 10 47 A L H <5S- 0 0 12 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.619 104.6-129.5 -78.2 -9.4 21.3 4.0 -20.2 11 48 A G T <5 + 0 0 1 -4,-0.9 561,-2.5 -3,-0.4 562,-0.2 0.704 43.7 171.6 65.5 23.3 21.2 2.1 -23.6 12 49 A I < - 0 0 8 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.2 -0.475 21.1-159.9 -71.9 127.5 17.5 1.6 -23.0 13 50 A T + 0 0 44 616,-1.5 2,-0.2 1,-0.2 -1,-0.1 0.712 69.5 17.0 -90.3 -19.0 16.0 0.1 -26.3 14 51 A D > - 0 0 46 615,-0.4 3,-2.4 3,-0.2 -1,-0.2 -0.736 50.2-162.7-161.1 104.1 12.3 0.9 -26.0 15 52 A T T 3 S+ 0 0 47 1,-0.3 3,-0.3 -2,-0.2 -1,-0.1 0.685 96.0 59.2 -65.6 -16.0 10.6 3.4 -23.6 16 53 A N T 3 S+ 0 0 134 1,-0.2 -1,-0.3 611,-0.1 2,-0.2 0.513 110.6 43.7 -86.1 -5.6 7.2 1.6 -24.2 17 54 A H S < S+ 0 0 66 -3,-2.4 2,-0.5 610,-0.2 -1,-0.2 -0.624 74.7 174.2-137.1 76.9 8.7 -1.7 -22.9 18 55 A L - 0 0 33 -3,-0.3 610,-0.1 -2,-0.2 611,-0.1 -0.756 22.1-141.9 -89.9 124.9 10.7 -0.9 -19.8 19 56 A S > - 0 0 0 609,-0.5 4,-2.5 -2,-0.5 5,-0.2 -0.342 29.3-105.0 -75.4 165.6 12.1 -4.0 -17.9 20 57 A A H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.936 124.3 51.4 -55.2 -41.8 12.1 -4.0 -14.0 21 58 A A H > S+ 0 0 0 647,-0.3 4,-2.5 610,-0.2 -1,-0.2 0.897 108.8 49.9 -67.0 -36.4 15.9 -3.4 -14.2 22 59 A S H > S+ 0 0 3 608,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.888 107.2 54.9 -69.5 -39.5 15.5 -0.5 -16.6 23 60 A K H X S+ 0 0 116 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.894 109.6 46.6 -55.0 -44.1 12.9 1.1 -14.3 24 61 A R H >X S+ 0 0 44 -4,-2.1 3,-1.1 1,-0.2 4,-0.6 0.924 109.6 54.5 -62.7 -41.9 15.5 0.9 -11.4 25 62 A A H >< S+ 0 0 5 -4,-2.5 3,-0.8 1,-0.3 -2,-0.2 0.843 102.9 56.5 -62.8 -33.3 18.2 2.3 -13.7 26 63 A L H 3< S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.667 101.1 59.9 -71.7 -20.2 15.9 5.4 -14.5 27 64 A K H << S+ 0 0 164 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.619 79.9 105.2 -81.9 -13.4 15.6 6.1 -10.7 28 65 A W S << S- 0 0 53 -3,-0.8 2,-0.1 -4,-0.6 -3,-0.0 -0.426 87.8 -98.4 -62.2 140.3 19.3 6.6 -10.3 29 66 A P > - 0 0 72 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.373 27.1-152.9 -60.8 132.6 20.3 10.3 -9.9 30 67 A T T 3 S+ 0 0 113 1,-0.2 -2,-0.1 -2,-0.1 -3,-0.0 0.672 90.2 56.3 -83.7 -17.6 21.4 11.8 -13.2 31 68 A D T 3 S+ 0 0 146 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 0.304 79.4 105.6 -99.3 8.8 23.7 14.4 -11.8 32 69 A L < - 0 0 24 -3,-0.8 572,-0.4 1,-0.1 277,-0.0 -0.820 57.4-163.0 -92.3 119.4 25.8 11.9 -9.8 33 70 A G - 0 0 29 -2,-0.6 3,-0.3 570,-0.1 -1,-0.1 0.102 32.1 -95.8 -86.9-158.8 29.1 11.6 -11.6 34 71 A N S > S+ 0 0 51 1,-0.1 3,-1.8 568,-0.1 326,-0.3 0.274 89.0 106.0-100.6 11.2 31.8 8.9 -11.3 35 72 A E T 3 S+ 0 0 61 1,-0.3 298,-0.5 324,-0.1 -1,-0.1 0.552 76.9 54.9 -79.1 -5.2 34.1 10.7 -8.8 36 73 A W T 3 S+ 0 0 13 273,-0.4 2,-0.6 -3,-0.3 -1,-0.3 0.401 86.7 102.3 -94.9 -1.7 33.0 8.4 -5.8 37 74 A F < + 0 0 4 -3,-1.8 323,-0.8 272,-0.1 2,-0.3 -0.712 49.2 162.1 -93.8 120.5 34.0 5.3 -7.8 38 75 A I E -A 359 0A 1 -2,-0.6 2,-0.4 321,-0.2 321,-0.2 -0.932 28.3-150.6-137.0 160.1 37.3 3.8 -6.8 39 76 A Q E -A 358 0A 78 319,-2.8 319,-2.2 -2,-0.3 2,-0.3 -0.989 20.4-131.0-130.4 139.2 39.4 0.5 -7.1 40 77 A F E -A 357 0A 35 -2,-0.4 317,-0.3 317,-0.2 3,-0.1 -0.665 14.5-137.5 -90.0 143.7 42.0 -0.8 -4.6 41 78 A G - 0 0 19 315,-2.3 315,-0.1 -2,-0.3 275,-0.1 -0.109 47.7 -64.4 -83.2-173.7 45.4 -2.0 -5.6 42 79 A P - 0 0 91 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.450 60.7-101.8 -71.3 148.5 47.0 -5.1 -4.1 43 80 A L - 0 0 35 312,-0.1 312,-0.2 -3,-0.1 274,-0.0 -0.498 41.0-151.0 -64.8 139.6 47.7 -4.9 -0.3 44 81 A Q E -B 354 0B 86 310,-3.1 310,-2.9 -2,-0.2 2,-0.0 -0.922 10.5-116.4-121.6 145.5 51.4 -4.2 0.5 45 82 A P E -B 353 0B 76 0, 0.0 2,-0.2 0, 0.0 308,-0.1 -0.337 24.6-129.6 -78.3 161.5 53.5 -5.2 3.4 46 83 A L - 0 0 6 306,-0.6 2,-0.2 4,-0.4 6,-0.2 -0.619 17.3-136.2-101.1 158.8 55.1 -2.7 5.8 47 84 A K E > +e 112 0C 135 64,-3.2 66,-2.2 -2,-0.2 3,-0.9 -0.608 64.5 28.4-111.3 175.1 58.7 -2.6 6.9 48 85 A G E > S-e 113 0C 46 64,-0.3 3,-1.5 1,-0.2 66,-0.2 -0.493 128.6 -15.3 71.2-144.9 60.4 -2.1 10.3 49 86 A D T 3 S+ 0 0 73 64,-2.1 -1,-0.2 1,-0.3 65,-0.1 0.658 131.8 67.5 -70.0 -13.6 58.3 -3.3 13.4 50 87 A L T < S+ 0 0 2 -3,-0.9 -4,-0.4 63,-0.6 302,-0.3 0.434 73.4 107.3 -91.7 -0.1 55.1 -3.4 11.3 51 88 A A S < S- 0 0 40 -3,-1.5 -4,-0.1 62,-0.2 301,-0.1 -0.452 93.2 -76.1 -60.5 150.2 56.3 -6.3 9.2 52 89 A Y - 0 0 78 -6,-0.2 2,-0.4 -2,-0.1 -1,-0.2 -0.165 53.5-165.6 -41.6 142.4 54.5 -9.6 10.1 53 90 A E > - 0 0 84 3,-0.5 3,-2.1 297,-0.2 297,-0.1 -0.924 20.0-125.2-141.6 113.7 55.9 -11.0 13.3 54 91 A E T 3 S+ 0 0 131 -2,-0.4 3,-0.1 1,-0.3 -2,-0.0 -0.335 98.0 23.1 -55.7 132.7 55.3 -14.6 14.4 55 92 A G T 3 S+ 0 0 22 1,-0.2 25,-2.1 25,-0.1 2,-0.4 0.296 108.5 90.1 96.6 -8.6 53.8 -14.7 18.0 56 93 A V E < -F 79 0D 13 -3,-2.1 2,-0.5 23,-0.2 -3,-0.5 -0.979 59.3-153.2-127.6 133.9 52.4 -11.1 17.8 57 94 A V E +F 78 0D 0 21,-3.0 21,-1.4 -2,-0.4 2,-0.4 -0.877 18.0 171.6 -96.2 126.1 49.0 -9.7 16.6 58 95 A R E +F 77 0D 12 292,-1.7 2,-0.3 -2,-0.5 19,-0.2 -0.948 27.2 134.2-130.6 121.0 49.2 -6.1 15.3 59 96 A R E +F 76 0D 15 17,-1.7 17,-2.6 -2,-0.4 76,-0.2 -0.930 30.8 50.0-154.6 174.0 45.8 -5.1 13.8 60 97 A D - 0 0 16 -2,-0.3 76,-0.5 15,-0.2 -1,-0.2 0.942 68.0-153.6 54.2 58.1 43.0 -2.6 13.4 61 98 A P - 0 0 4 0, 0.0 14,-0.2 0, 0.0 -1,-0.1 -0.363 6.1-132.2 -66.4 139.4 45.1 0.5 12.7 62 99 A S - 0 0 0 12,-2.9 278,-0.2 1,-0.2 75,-0.2 -0.134 42.5 -69.3 -63.5 175.5 43.6 3.9 13.6 63 100 A A - 0 0 0 258,-0.2 11,-0.4 75,-0.1 2,-0.4 -0.325 55.9-118.2 -56.9 155.4 43.6 6.9 11.2 64 101 A I B +j 323 0E 0 258,-2.3 260,-1.2 9,-0.1 261,-0.3 -0.855 32.8 178.5-105.0 135.8 47.1 8.3 10.6 65 102 A I E -G 72 0D 22 7,-1.2 7,-2.5 -2,-0.4 2,-0.4 -0.839 23.2-126.1-127.8 166.9 48.0 11.9 11.5 66 103 A K E +G 71 0D 94 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 36.3 151.5-120.3 129.2 51.3 13.7 11.1 67 104 A E E > +G 70 0D 44 3,-2.2 3,-2.4 -2,-0.4 -2,-0.0 -0.968 64.5 15.6-147.2 152.5 53.1 15.5 14.0 68 105 A N T 3 S- 0 0 107 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.844 131.3 -59.6 57.9 35.6 56.8 16.3 14.7 69 106 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.566 119.1 101.6 68.6 9.6 57.7 15.5 11.0 70 107 A K E < S-G 67 0D 52 -3,-2.4 -3,-2.2 39,-0.0 2,-0.3 -0.927 72.2-122.8-131.9 147.0 56.3 11.9 11.4 71 108 A Y E -GH 66 107D 37 36,-3.2 36,-1.6 -2,-0.3 2,-0.4 -0.684 31.8-159.4 -78.8 141.5 53.2 9.8 10.6 72 109 A Y E +GH 65 106D 0 -7,-2.5 -7,-1.2 -2,-0.3 2,-0.3 -0.963 12.8 177.7-118.9 142.0 51.7 8.2 13.8 73 110 A V E - H 0 105D 0 32,-2.2 32,-2.8 -2,-0.4 2,-0.4 -0.989 14.4-151.3-141.2 145.8 49.4 5.3 13.9 74 111 A W E + H 0 104D 0 -11,-0.4 -12,-2.9 -2,-0.3 2,-0.3 -0.913 24.0 168.1-109.4 149.2 47.8 3.4 16.9 75 112 A Y E - H 0 103D 0 28,-3.0 28,-2.6 -2,-0.4 2,-0.4 -0.957 38.7 -92.8-156.0 160.3 46.9 -0.2 16.9 76 113 A S E -FH 59 102D 0 -17,-2.6 -17,-1.7 -2,-0.3 2,-0.4 -0.683 41.3-173.5 -72.7 140.1 45.8 -3.3 18.8 77 114 A K E +FH 58 101D 31 24,-2.6 24,-2.3 -2,-0.4 2,-0.3 -0.995 14.5 149.4-141.4 125.7 48.7 -5.5 20.0 78 115 A S E -F 57 0D 5 -21,-1.4 -21,-3.0 -2,-0.4 2,-0.3 -0.925 26.5-140.1-139.0 171.5 48.6 -8.9 21.7 79 116 A T E +F 56 0D 94 20,-0.4 -23,-0.2 -2,-0.3 -24,-0.1 -0.898 52.4 37.1-129.5 164.8 50.8 -11.9 21.8 80 117 A G S S- 0 0 23 -25,-2.1 2,-0.1 -2,-0.3 -25,-0.1 0.010 87.3 -54.9 87.3 162.2 50.3 -15.7 21.9 81 118 A P - 0 0 64 0, 0.0 2,-0.6 0, 0.0 12,-0.2 -0.329 48.7-117.2 -74.5 158.1 47.9 -18.0 20.1 82 119 A T - 0 0 31 1,-0.1 12,-0.2 12,-0.1 -2,-0.1 -0.894 23.1-176.1 -97.1 120.6 44.1 -17.7 20.2 83 120 A Q - 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