==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-FEB-00 1EHA . COMPND 2 MOLECULE: GLYCOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR M.D.FEESE,Y.KATO,T.TAMADA,M.KATO,T.KOMEDA,K.KOBAYASHI, . 557 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21278.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 62 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 2 1 1 0 1 0 1 2 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 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 PARALLEL BRIDGES PER LADDER . 5 6 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 3 0 1 0 0 1 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 1 A T 0 0 121 0, 0.0 4,-0.1 0, 0.0 234,-0.1 0.000 360.0 360.0 360.0 95.6 -6.9 44.0 6.5 2 2 A F + 0 0 14 2,-0.3 68,-0.2 12,-0.1 14,-0.2 0.226 360.0 41.3-171.4 -37.7 -7.5 40.2 6.6 3 3 A A S S- 0 0 6 1,-0.4 2,-0.3 67,-0.2 68,-0.1 0.905 117.4 -52.1 -85.2 -81.5 -9.7 39.4 9.5 4 4 A Y - 0 0 3 66,-0.2 -1,-0.4 9,-0.2 -2,-0.3 -0.873 43.4-144.9-151.3 171.9 -12.4 42.0 9.7 5 5 A K E -A 12 0A 34 7,-0.9 7,-1.2 -2,-0.3 2,-0.6 -0.710 7.1-148.3-157.2 101.6 -12.7 45.8 9.8 6 6 A I E +A 11 0A 35 5,-0.2 5,-0.3 -2,-0.2 42,-0.1 -0.584 22.1 177.7 -73.0 116.3 -15.2 47.8 11.7 7 7 A D - 0 0 116 3,-6.1 -1,-0.1 -2,-0.6 4,-0.1 0.807 60.8 -48.4 -78.9-108.1 -15.9 51.0 9.8 8 8 A G S S- 0 0 58 0, 0.0 -2,-0.0 0, 0.0 40,-0.0 0.749 123.8 -25.2 -94.3 -86.0 -18.5 53.2 11.3 9 9 A N S S+ 0 0 96 -3,-0.1 2,-0.3 2,-0.0 -3,-0.0 0.345 129.2 89.2-105.3 -2.0 -21.3 51.0 12.1 10 10 A E - 0 0 68 39,-0.1 -3,-6.1 41,-0.0 2,-0.4 -0.769 56.1-162.8-112.8 150.0 -20.2 48.7 9.4 11 11 A V E -AB 6 47A 0 36,-4.4 36,-5.3 -2,-0.3 -5,-0.2 -0.984 6.2-149.4-133.0 137.8 -17.8 45.7 9.2 12 12 A I E -AB 5 46A 39 -7,-1.2 -7,-0.9 -2,-0.4 34,-0.2 -0.517 4.4-151.6 -96.4 163.3 -16.0 43.8 6.4 13 13 A F - 0 0 1 32,-2.1 -9,-0.2 -9,-0.2 33,-0.1 -0.363 16.5-174.5-137.7 61.6 -14.9 40.1 6.1 14 14 A T + 0 0 26 30,-0.2 30,-0.2 31,-0.1 -12,-0.1 -0.019 5.7 179.2 -50.3 156.7 -11.9 39.7 3.9 15 15 A L E -C 43 0B 5 28,-1.0 28,-2.1 53,-0.0 2,-0.4 -0.394 25.7-144.9-174.3 94.6 -10.8 36.1 3.2 16 16 A W E +C 42 0B 0 26,-0.3 26,-0.3 -14,-0.2 3,-0.1 -0.330 40.2 147.3 -54.9 104.0 -8.0 34.8 1.1 17 17 A A > + 0 0 0 24,-3.2 3,-5.6 -2,-0.4 25,-0.2 0.039 8.5 160.2-141.4 39.3 -9.4 31.6 -0.4 18 18 A P T 3 S+ 0 0 13 0, 0.0 186,-0.2 0, 0.0 -1,-0.1 0.758 79.9 53.3 -20.7 -63.8 -7.9 31.0 -3.8 19 19 A Y T 3 S+ 0 0 121 184,-0.9 2,-0.3 -3,-0.1 185,-0.2 0.613 95.7 92.7 -56.8 -14.2 -8.8 27.3 -3.6 20 20 A Q < - 0 0 14 -3,-5.6 3,-0.1 183,-0.5 -3,-0.1 -0.614 45.1-179.9 -91.5 151.0 -12.4 28.2 -2.9 21 21 A K S S+ 0 0 167 1,-0.3 2,-0.4 -2,-0.3 16,-0.2 0.738 81.3 24.1-106.2 -39.7 -15.3 28.6 -5.3 22 22 A S + 0 0 35 14,-0.1 2,-0.4 21,-0.0 -1,-0.3 -0.966 67.6 179.7-134.7 118.5 -18.0 29.4 -2.7 23 23 A V - 0 0 4 -2,-0.4 12,-2.9 12,-0.3 2,-0.5 -0.914 10.4-154.5-119.8 141.4 -17.4 30.9 0.8 24 24 A K B -D 59 0C 52 35,-2.2 35,-2.2 -2,-0.4 10,-0.2 -0.895 9.6-145.4-127.5 117.0 -20.0 31.7 3.4 25 25 A L - 0 0 0 -2,-0.5 8,-2.8 33,-0.2 33,-0.1 -0.279 22.5-169.3 -61.1 149.0 -19.9 34.2 6.2 26 26 A K B -F 32 0D 50 6,-0.3 31,-1.2 31,-0.1 6,-0.3 -0.481 16.5-164.4-150.5 82.8 -21.7 32.8 9.1 27 27 A V B -G 56 0E 3 4,-1.1 29,-0.2 29,-0.2 -2,-0.0 -0.454 26.0-137.4 -59.8 130.1 -22.6 34.9 12.1 28 28 A L S S+ 0 0 60 27,-2.5 -1,-0.2 1,-0.1 28,-0.1 0.826 98.8 28.6 -63.4 -32.3 -23.5 32.2 14.6 29 29 A E S S+ 0 0 137 26,-0.4 -1,-0.1 2,-0.1 -2,-0.1 0.891 128.9 39.0 -91.1 -51.5 -26.5 34.0 15.9 30 30 A K S S- 0 0 81 1,-0.2 2,-0.2 -4,-0.0 -2,-0.1 0.942 105.6 -83.2 -63.8 -97.7 -27.4 36.0 12.8 31 31 A G - 0 0 22 0, 0.0 -4,-1.1 0, 0.0 2,-0.4 -0.760 33.6 -76.2-154.4-160.6 -27.0 34.0 9.6 32 32 A L B +F 26 0D 64 -6,-0.3 -6,-0.3 -2,-0.2 2,-0.2 -0.929 42.8 179.6-118.0 141.7 -25.0 32.7 6.7 33 33 A Y - 0 0 68 -8,-2.8 2,-0.5 -2,-0.4 12,-0.0 -0.694 27.1-104.2-135.4-177.6 -23.8 34.7 3.7 34 34 A E - 0 0 135 -10,-0.2 -10,-0.2 -2,-0.2 2,-0.2 -0.950 29.0-135.6-121.8 119.3 -21.9 34.7 0.4 35 35 A M - 0 0 11 -12,-2.9 2,-1.5 -2,-0.5 -12,-0.3 -0.462 21.2-116.8 -75.1 142.3 -18.5 36.1 -0.0 36 36 A E - 0 0 143 8,-4.4 2,-0.4 -2,-0.2 -1,-0.1 -0.621 33.2-145.7 -78.3 85.2 -17.6 38.2 -3.0 37 37 A R - 0 0 99 -2,-1.5 2,-0.3 -16,-0.2 6,-0.2 -0.376 12.2-158.3 -60.9 117.3 -14.9 36.1 -4.7 38 38 A D > - 0 0 49 4,-0.7 3,-2.1 -2,-0.4 4,-0.1 -0.655 28.8-112.2 -94.2 150.5 -12.4 38.3 -6.2 39 39 A E T 3 S+ 0 0 147 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.1 0.838 117.1 62.3 -48.9 -41.7 -10.2 36.9 -9.0 40 40 A K T 3 S- 0 0 116 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.779 127.2-100.5 -59.2 -22.2 -7.1 37.0 -6.8 41 41 A G S < S+ 0 0 0 -3,-2.1 -24,-3.2 1,-0.1 2,-1.0 0.428 77.0 139.6 116.2 8.5 -9.0 34.5 -4.6 42 42 A Y E -C 16 0B 49 -26,-0.3 -4,-0.7 -25,-0.2 -26,-0.3 -0.701 35.5-159.2 -89.5 97.7 -10.3 36.8 -1.8 43 43 A F E +C 15 0B 0 -28,-2.1 -28,-1.0 -2,-1.0 2,-0.3 -0.188 23.0 177.9 -65.5 164.6 -13.8 36.0 -0.8 44 44 A T - 0 0 41 -30,-0.2 -8,-4.4 -21,-0.2 2,-0.3 -0.957 23.8-179.5-172.8 149.4 -15.6 38.9 1.0 45 45 A I - 0 0 23 -2,-0.3 -32,-2.1 -10,-0.2 2,-0.4 -0.952 18.1-137.1-146.3 164.9 -18.7 40.4 2.6 46 46 A T E -B 12 0A 76 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.3 -0.991 21.2-172.7-130.9 129.8 -19.8 43.6 4.3 47 47 A L E +B 11 0A 19 -36,-5.3 -36,-4.4 -2,-0.4 -2,-0.0 -0.864 29.4 154.5-126.5 160.6 -21.8 43.9 7.5 48 48 A N S S+ 0 0 75 -2,-0.3 -1,-0.1 -38,-0.3 -36,-0.1 0.352 76.3 71.5-146.7 -30.6 -23.6 46.6 9.5 49 49 A N S S+ 0 0 76 -38,-0.1 3,-0.3 2,-0.1 2,-0.2 0.836 94.5 81.9 -60.8 -30.1 -26.3 44.6 11.4 50 50 A V + 0 0 2 1,-0.2 -39,-0.1 -39,-0.1 3,-0.0 -0.454 25.7 123.6 -80.6 149.0 -23.3 43.3 13.2 51 51 A K + 0 0 90 -2,-0.2 -1,-0.2 -41,-0.1 -2,-0.1 -0.124 53.1 137.0-166.7 -32.3 -21.5 45.0 16.0 52 52 A V S S- 0 0 42 -3,-0.3 2,-4.2 1,-0.2 32,-0.3 0.196 70.0-128.2 -29.4 122.4 -22.1 41.9 17.8 53 53 A R + 0 0 129 30,-0.1 2,-0.3 -3,-0.0 -1,-0.2 -0.409 64.8 164.1 -74.2 68.7 -19.4 40.4 19.8 54 54 A D - 0 0 5 -2,-4.2 30,-1.4 31,-0.1 2,-0.2 -0.647 42.9-127.6-101.7 150.3 -20.4 37.5 17.7 55 55 A R E - H 0 83E 79 -2,-0.3 -27,-2.5 28,-0.2 -26,-0.4 -0.542 32.4-178.0 -88.1 156.7 -18.8 34.2 16.9 56 56 A Y E -GH 27 82E 0 26,-1.2 26,-2.6 -29,-0.2 12,-0.4 -0.972 18.5-161.3-160.8 147.2 -18.5 33.2 13.2 57 57 A K - 0 0 45 -31,-1.2 2,-0.5 -2,-0.3 -31,-0.1 -0.971 21.6-130.2-128.0 141.1 -17.3 30.5 11.1 58 58 A Y E - E 0 66C 2 8,-4.7 8,-1.9 -2,-0.4 2,-0.6 -0.805 22.6-155.8 -91.1 125.9 -16.4 30.6 7.4 59 59 A V E -DE 24 65C 18 -35,-2.2 -35,-2.2 -2,-0.5 6,-0.2 -0.928 15.9-168.7-110.5 117.0 -18.1 27.8 5.6 60 60 A L > - 0 0 5 4,-2.1 3,-0.8 -2,-0.6 -37,-0.2 0.024 36.9 -78.4 -88.1-168.7 -16.5 26.8 2.4 61 61 A D T 3 S+ 0 0 59 1,-0.2 -41,-0.1 2,-0.2 -38,-0.0 0.985 119.8 60.8 -51.2 -75.8 -17.2 24.7 -0.7 62 62 A D T 3 S- 0 0 99 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.516 121.2-104.7 -31.5 -20.1 -16.6 21.2 0.8 63 63 A A S < S+ 0 0 80 -3,-0.8 2,-0.4 1,-0.3 -1,-0.2 0.760 76.6 137.8 88.4 36.6 -19.5 22.1 3.2 64 64 A S - 0 0 42 -4,-0.1 -4,-2.1 2,-0.0 2,-0.4 -0.911 48.0-139.8-118.5 140.7 -17.3 22.7 6.2 65 65 A E E +E 59 0C 96 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.769 32.2 162.8 -94.9 140.8 -17.4 25.4 8.8 66 66 A I E -E 58 0C 10 -8,-1.9 -8,-4.7 -2,-0.4 2,-0.3 -0.950 32.2 -99.7-151.4 168.4 -14.1 26.9 9.9 67 67 A P - 0 0 3 0, 0.0 -10,-0.1 0, 0.0 132,-0.1 -0.750 40.9 -92.2-107.0 145.9 -12.7 30.0 11.7 68 68 A D > - 0 0 2 -12,-0.4 3,-4.0 -2,-0.3 15,-0.1 -0.197 29.6-150.7 -48.9 104.1 -11.1 33.2 10.5 69 69 A P T 3 S+ 0 0 10 0, 0.0 89,-0.5 0, 0.0 90,-0.2 0.721 102.5 54.6 -58.6 -13.4 -7.4 32.5 10.4 70 70 A A T 3 S+ 0 0 1 -68,-0.2 -67,-0.2 88,-0.1 -66,-0.2 0.220 88.8 166.8-100.6 18.7 -6.9 36.1 11.1 71 71 A S < - 0 0 0 -3,-4.0 3,-0.2 1,-0.2 13,-0.1 0.042 35.0-152.4 -31.7 123.6 -9.1 35.4 14.0 72 72 A R S S- 0 0 25 11,-0.4 88,-1.1 1,-0.3 2,-0.3 0.945 79.6 -8.3 -71.8 -40.4 -8.9 38.2 16.2 73 73 A Y - 0 0 46 10,-0.5 10,-0.4 86,-0.3 -1,-0.3 -0.972 56.5-144.6-158.4 136.2 -9.7 35.9 19.0 74 74 A Q - 0 0 0 86,-0.4 8,-0.2 -2,-0.3 88,-0.1 -0.783 16.4-174.2-103.3 87.8 -10.8 32.3 19.4 75 75 A P S S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.938 73.0 29.1 -45.9 -62.9 -13.2 32.3 22.3 76 76 A E S S- 0 0 110 5,-0.4 4,-0.3 -3,-0.1 86,-0.1 -0.033 117.1 -36.7 -86.3-159.8 -13.6 28.6 22.3 77 77 A G S > S- 0 0 38 2,-0.2 3,-1.6 1,-0.2 -1,-0.1 0.467 75.9 -81.9 -40.7-171.8 -11.1 26.0 21.2 78 78 A V T 3 S+ 0 0 8 1,-0.3 -1,-0.2 -3,-0.1 4,-0.0 0.242 142.4 49.4 -81.7 17.2 -8.7 26.3 18.3 79 79 A H T 3 S+ 0 0 87 2,-0.1 -1,-0.3 -13,-0.1 -2,-0.2 0.043 87.9 118.8-134.2 1.9 -12.0 25.2 16.6 80 80 A G S < S- 0 0 1 -3,-1.6 3,-0.1 -4,-0.3 2,-0.1 -0.337 79.6 -90.6 -70.7 161.6 -14.0 27.8 18.3 81 81 A P - 0 0 7 0, 0.0 -5,-0.4 0, 0.0 -24,-0.2 -0.376 45.0-112.3 -68.3 149.0 -15.7 30.2 16.3 82 82 A S E -H 56 0E 0 -26,-2.6 -26,-1.2 -8,-0.2 2,-0.3 -0.226 41.8-142.2 -73.4-177.3 -13.7 33.3 15.6 83 83 A Q E -H 55 0E 36 -10,-0.4 -10,-0.5 -28,-0.2 -11,-0.4 -0.996 12.1-112.1-158.3 153.9 -15.0 36.5 17.2 84 84 A I + 0 0 3 -30,-1.4 2,-0.3 -2,-0.3 -13,-0.0 -0.501 37.9 167.1 -79.0 144.2 -15.5 40.2 17.1 85 85 A I - 0 0 21 -2,-0.2 -31,-0.1 1,-0.1 2,-0.1 -0.794 36.6 -81.3-143.9 177.1 -13.6 42.4 19.4 86 86 A Q - 0 0 97 -2,-0.3 2,-0.9 1,-0.1 3,-0.2 -0.272 39.9-106.5 -83.0 174.7 -13.0 46.1 19.7 87 87 A E - 0 0 52 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.772 27.0-171.6-104.2 83.7 -10.5 48.2 17.8 88 88 A S + 0 0 13 -2,-0.9 2,-3.1 1,-0.2 -1,-0.2 0.898 25.0 162.9 -35.7 -48.9 -7.8 48.9 20.4 89 89 A K + 0 0 135 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 -0.100 31.9 100.6 57.8 -42.4 -6.5 51.2 17.7 90 90 A E + 0 0 134 -2,-3.1 155,-0.3 -3,-0.2 2,-0.3 -0.606 34.0 125.7 -87.3 139.2 -4.2 53.3 20.0 91 91 A F - 0 0 56 -2,-0.3 2,-0.4 153,-0.1 151,-0.1 -0.910 48.4 -93.3-165.2 178.1 -0.5 53.0 20.4 92 92 A N - 0 0 94 2,-0.3 2,-1.7 -2,-0.3 -2,-0.0 -0.855 25.0-113.0-122.0 152.8 2.5 55.4 20.2 93 93 A N S S+ 0 0 75 -2,-0.4 2,-0.3 2,-0.0 -1,-0.0 0.168 92.5 7.0 -58.8 22.7 5.0 56.5 17.8 94 94 A E - 0 0 119 -2,-1.7 2,-0.4 151,-0.0 -2,-0.3 -0.990 66.1-102.0-177.2-175.7 7.7 54.8 19.8 95 95 A T - 0 0 13 182,-0.3 88,-0.0 -2,-0.3 152,-0.0 -0.986 15.6-149.4-133.4 134.3 9.2 52.7 22.5 96 96 A F S S+ 0 0 106 -2,-0.4 2,-0.9 86,-0.1 -1,-0.1 0.726 73.3 111.7 -71.9 -21.5 10.9 54.2 25.6 97 97 A L - 0 0 12 85,-0.1 2,-0.3 -3,-0.0 -2,-0.1 -0.345 55.1-166.3 -58.1 92.2 12.9 51.1 25.2 98 98 A K - 0 0 30 -2,-0.9 -2,-0.1 1,-0.1 -1,-0.0 -0.676 24.2-125.7 -85.1 141.4 16.4 52.2 24.3 99 99 A K S S+ 0 0 84 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.886 101.2 55.5 -51.8 -54.6 18.5 49.3 23.1 100 100 A E S S+ 0 0 92 1,-0.2 2,-2.5 390,-0.1 -1,-0.2 0.954 97.7 63.6 -46.7 -65.2 21.5 49.7 25.5 101 101 A D S S+ 0 0 82 1,-0.1 2,-0.4 389,-0.1 -1,-0.2 -0.395 79.5 146.8 -62.6 85.0 19.5 49.5 28.6 102 102 A L + 0 0 10 -2,-2.5 2,-0.5 2,-0.1 -1,-0.1 -0.841 17.5 154.4-137.8 108.0 18.4 46.0 27.9 103 103 A I - 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