==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-11 3VGH . COMPND 2 MOLECULE: MALTO-OLIGOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR N.OKAZAKI,T.TAMADA,M.D.FEESE,M.KATO,Y.MIURA,T.KOMEDA,K.KOBAY . 554 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 369 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 4 0.7 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 . 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 . 47 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 20.8 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 1 2 1 1 0 0 1 1 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 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 . 0 6 4 2 3 1 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 . 5 0 1 2 0 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 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 4 A Y 0 0 8 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 165.6 -12.3 41.1 9.7 2 5 A K E -A 9 0A 95 7,-1.5 7,-2.1 0, 0.0 2,-0.4 -0.862 360.0-137.5-149.3 108.4 -12.2 44.9 9.7 3 6 A I E +A 8 0A 64 -2,-0.3 5,-0.2 5,-0.2 4,-0.0 -0.535 28.0 174.6 -72.3 119.3 -14.8 47.1 11.5 4 7 A D - 0 0 109 3,-2.1 4,-0.1 -2,-0.4 -1,-0.1 0.731 57.0 -37.0 -91.4-111.8 -15.7 50.1 9.4 5 8 A G S S- 0 0 63 0, 0.0 -2,-0.0 0, 0.0 40,-0.0 0.820 117.4 -39.7 -78.9-100.8 -18.5 52.6 10.4 6 9 A N S S+ 0 0 124 42,-0.0 2,-0.1 -3,-0.0 -3,-0.0 0.522 133.4 74.4 -96.0 -15.4 -21.3 50.6 12.1 7 10 A E S S- 0 0 70 39,-0.1 -3,-2.1 -4,-0.0 2,-0.3 -0.378 70.6-145.7 -92.1 171.4 -20.7 47.9 9.5 8 11 A V E -AB 3 44A 1 36,-3.0 36,-2.6 -5,-0.2 2,-0.5 -0.998 5.8-138.4-146.2 137.0 -17.9 45.3 9.2 9 12 A I E -AB 2 43A 44 -7,-2.1 -7,-1.5 -2,-0.3 2,-0.6 -0.834 12.5-154.4-101.3 126.2 -16.1 43.7 6.2 10 13 A F E - B 0 42A 0 32,-2.3 32,-1.0 -2,-0.5 2,-0.5 -0.888 13.3-173.3-101.6 120.5 -15.3 40.0 6.3 11 14 A T E + B 0 41A 39 -2,-0.6 2,-0.4 30,-0.2 30,-0.2 -0.960 7.6 172.9-120.7 125.6 -12.3 39.0 4.2 12 15 A L E - B 0 40A 4 28,-2.2 28,-2.9 -2,-0.5 2,-0.7 -0.975 21.8-148.0-135.3 118.5 -11.3 35.4 3.6 13 16 A W E + B 0 39A 12 -2,-0.4 26,-0.2 26,-0.2 25,-0.1 -0.781 35.8 148.3 -87.5 114.2 -8.6 34.2 1.2 14 17 A A > + 0 0 0 24,-3.2 3,-1.5 -2,-0.7 187,-0.2 -0.516 11.6 166.2-148.0 73.8 -9.5 30.8 -0.2 15 18 A P T 3 S+ 0 0 20 0, 0.0 186,-0.2 0, 0.0 -1,-0.1 0.802 79.3 59.4 -62.1 -31.9 -8.4 30.1 -3.8 16 19 A Y T 3 S+ 0 0 128 184,-2.7 2,-0.3 22,-0.1 185,-0.2 0.647 94.2 88.7 -67.4 -15.2 -9.0 26.3 -3.5 17 20 A Q < - 0 0 17 -3,-1.5 3,-0.2 183,-0.5 -3,-0.1 -0.676 59.8-160.8 -97.3 138.5 -12.7 27.1 -2.8 18 21 A K S S- 0 0 179 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.905 82.3 -8.6 -75.2 -48.2 -15.5 27.6 -5.3 19 22 A S - 0 0 42 14,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.941 63.6-164.7-155.7 131.9 -17.8 29.5 -2.9 20 23 A V - 0 0 0 -2,-0.3 12,-1.6 12,-0.3 2,-0.4 -0.893 7.4-152.8-117.5 148.2 -17.7 30.2 0.8 21 24 A K E -DE 31 56B 62 35,-1.8 35,-2.5 -2,-0.3 2,-0.4 -0.950 16.1-127.2-119.0 141.9 -20.5 31.4 3.2 22 25 A L E -DE 30 55B 0 8,-2.9 8,-2.6 -2,-0.4 2,-0.6 -0.728 21.2-160.6 -80.7 131.4 -20.2 33.4 6.4 23 26 A K E -DE 29 54B 50 31,-2.8 31,-1.4 -2,-0.4 2,-0.5 -0.811 6.7-172.2-118.8 89.8 -22.1 31.8 9.2 24 27 A V E - E 0 53B 3 4,-1.3 3,-0.5 -2,-0.6 29,-0.2 -0.735 25.3-135.7 -77.3 124.9 -22.9 34.2 12.1 25 28 A L S S+ 0 0 74 27,-1.4 -1,-0.1 -2,-0.5 28,-0.1 0.850 95.6 30.4 -58.0 -50.4 -24.2 31.9 14.8 26 29 A E S S+ 0 0 179 26,-0.3 -1,-0.3 -3,-0.0 2,-0.1 0.546 125.1 48.6 -89.1 -10.1 -27.3 33.8 16.1 27 30 A K S S- 0 0 86 -3,-0.5 2,-0.0 1,-0.2 20,-0.0 -0.213 97.5 -76.1-106.6-156.7 -28.0 35.4 12.7 28 31 A G - 0 0 33 -2,-0.1 -4,-1.3 1,-0.1 2,-0.4 -0.090 43.9 -84.3 -95.1-170.2 -28.1 33.8 9.2 29 32 A L E -D 23 0B 104 -6,-0.2 2,-0.4 -4,-0.0 -6,-0.2 -0.805 40.7-159.5 -92.3 142.7 -25.9 32.4 6.5 30 33 A Y E -D 22 0B 64 -8,-2.6 -8,-2.9 -2,-0.4 2,-0.2 -0.984 13.5-131.3-132.5 122.8 -24.4 34.9 4.1 31 34 A E E -D 21 0B 107 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.463 24.6-141.2 -68.4 138.1 -23.0 34.3 0.6 32 35 A M - 0 0 9 -12,-1.6 2,-0.3 -2,-0.2 -12,-0.3 -0.832 10.8-123.2-105.7 142.5 -19.6 35.8 -0.0 33 36 A E E -C 41 0A 148 8,-2.6 8,-2.4 -2,-0.4 2,-0.4 -0.635 25.5-141.3 -85.1 142.3 -18.6 37.4 -3.3 34 37 A R E -C 40 0A 97 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.874 10.2-160.6-112.2 130.1 -15.4 36.1 -5.0 35 38 A D > - 0 0 70 4,-2.2 3,-1.3 -2,-0.4 4,-0.1 -0.589 38.8 -98.8 -99.4 172.1 -12.7 38.0 -6.8 36 39 A E T 3 S+ 0 0 187 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.703 118.2 59.0 -67.7 -23.5 -10.2 36.5 -9.3 37 40 A K T 3 S- 0 0 121 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.711 123.0 -98.4 -75.1 -22.9 -7.3 36.2 -6.8 38 41 A G S < S+ 0 0 0 -3,-1.3 -24,-3.2 1,-0.3 2,-0.4 0.587 74.6 143.8 110.2 19.3 -9.4 33.9 -4.5 39 42 A Y E -B 13 0A 31 -26,-0.2 -4,-2.2 -4,-0.1 2,-0.4 -0.772 34.9-154.4 -92.3 132.1 -10.6 36.5 -2.0 40 43 A F E +BC 12 34A 1 -28,-2.9 -28,-2.2 -2,-0.4 2,-0.3 -0.907 20.5 175.7-107.6 132.7 -14.1 36.2 -0.5 41 44 A T E +BC 11 33A 42 -8,-2.4 -8,-2.6 -2,-0.4 2,-0.3 -0.981 18.6 163.9-140.9 146.2 -15.9 39.3 0.8 42 45 A I E -B 10 0A 36 -32,-1.0 -32,-2.3 -2,-0.3 2,-0.6 -0.904 26.0-140.5-152.6 139.0 -19.1 40.7 2.3 43 46 A T E -B 9 0A 76 -2,-0.3 2,-0.4 -34,-0.2 -34,-0.2 -0.878 25.5-171.5 -95.3 123.3 -19.9 43.9 4.1 44 47 A L E -B 8 0A 12 -36,-2.6 -36,-3.0 -2,-0.6 -2,-0.0 -0.940 20.0-175.2-119.3 140.4 -22.4 43.3 6.9 45 48 A N S S+ 0 0 101 -2,-0.4 -1,-0.1 -38,-0.3 -36,-0.0 0.611 79.4 63.6-106.8 -18.9 -24.1 46.0 9.0 46 49 A N S S+ 0 0 65 -38,-0.1 2,-0.2 2,-0.0 -1,-0.1 0.561 79.7 105.2 -83.8 -11.0 -26.0 43.8 11.6 47 50 A V + 0 0 11 -39,-0.1 2,-0.3 4,-0.0 -3,-0.0 -0.500 45.8 175.1 -79.6 140.1 -22.8 42.4 13.1 48 51 A K > - 0 0 132 -2,-0.2 3,-2.3 33,-0.0 2,-0.5 -0.962 34.8 -63.4-141.1 151.5 -21.6 43.6 16.5 49 52 A V T 3 S+ 0 0 43 1,-0.3 33,-0.1 -2,-0.3 3,-0.1 -0.702 115.1 24.7 -69.4 124.6 -18.8 42.8 19.1 50 53 A R T 3 S+ 0 0 167 31,-0.5 -1,-0.3 -2,-0.5 2,-0.1 -0.235 80.6 134.1-127.1 84.3 -18.9 40.2 20.2 51 54 A D < - 0 0 31 -3,-2.3 30,-2.1 29,-0.1 2,-0.3 -0.442 46.7-125.8 -77.1 152.1 -20.7 37.8 17.9 52 55 A R E + F 0 80B 89 28,-0.2 -27,-1.4 -2,-0.1 2,-0.3 -0.687 32.7 173.2 -94.7 153.4 -19.4 34.4 17.0 53 56 A Y E -EF 24 79B 2 26,-2.0 26,-2.8 -2,-0.3 12,-0.3 -0.991 17.2-175.6-155.8 159.3 -18.8 33.1 13.4 54 57 A K E -E 23 0B 29 -31,-1.4 -31,-2.8 -2,-0.3 2,-0.4 -0.888 27.1-117.5-141.3 172.7 -17.5 30.4 11.2 55 58 A Y E -EG 22 63B 0 8,-3.0 8,-2.9 -2,-0.3 2,-0.5 -0.958 18.1-147.8-115.3 139.3 -17.0 29.9 7.4 56 59 A V E -EG 21 62B 16 -35,-2.5 -35,-1.8 -2,-0.4 6,-0.2 -0.932 18.8-154.4-111.3 120.1 -18.8 27.1 5.5 57 60 A L > - 0 0 5 4,-2.4 3,-2.0 -2,-0.5 -37,-0.1 -0.056 38.4 -90.4 -83.5-179.6 -16.9 25.6 2.5 58 61 A D T 3 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.1 -38,-0.1 0.801 128.6 65.7 -54.8 -30.8 -17.9 23.9 -0.7 59 62 A D T 3 S- 0 0 107 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.604 110.8-126.0 -62.7 -17.8 -17.6 20.9 1.5 60 63 A A S < S+ 0 0 75 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.243 71.8 131.6 73.2 -7.9 -20.5 22.1 3.6 61 64 A S - 0 0 36 -5,-0.1 -4,-2.4 1,-0.1 2,-0.5 -0.427 55.6-129.5 -73.8 149.0 -18.0 21.7 6.5 62 65 A E E +G 56 0B 86 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.875 27.6 177.2-109.7 128.3 -17.5 24.6 8.9 63 66 A I E -G 55 0B 3 -8,-2.9 -8,-3.0 -2,-0.5 2,-0.1 -0.907 29.0-108.8-127.9 153.9 -14.2 26.1 9.9 64 67 A P - 0 0 1 0, 0.0 -10,-0.1 0, 0.0 132,-0.1 -0.460 48.6 -86.6 -75.7 154.9 -12.9 29.0 12.1 65 68 A D > - 0 0 2 -12,-0.3 3,-2.3 1,-0.2 -53,-0.0 -0.454 31.5-148.3 -58.8 117.3 -11.5 32.2 10.6 66 69 A P T 3 S+ 0 0 7 0, 0.0 89,-0.4 0, 0.0 88,-0.3 0.750 102.7 49.3 -63.4 -22.0 -7.7 31.5 10.1 67 70 A A T 3 S+ 0 0 19 87,-0.1 -2,-0.1 86,-0.1 86,-0.1 0.105 87.4 156.1 -98.6 19.1 -7.2 35.2 10.8 68 71 A S < - 0 0 0 -3,-2.3 87,-0.3 1,-0.1 3,-0.1 -0.069 36.8-158.6 -48.1 140.6 -9.3 35.0 14.0 69 72 A R S S+ 0 0 27 11,-0.4 88,-0.9 1,-0.3 2,-0.3 0.588 80.6 20.5 -96.3 -14.5 -8.7 37.6 16.7 70 73 A Y - 0 0 51 10,-0.2 10,-1.7 86,-0.2 -1,-0.3 -0.915 54.6-169.0-159.1 128.9 -10.3 35.4 19.4 71 74 A Q > + 0 0 0 86,-0.4 3,-1.5 -2,-0.3 88,-0.4 -0.791 12.3 178.5-121.1 83.5 -10.9 31.7 19.7 72 75 A P T 3 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.755 79.9 37.6 -63.5 -31.8 -13.2 31.4 22.8 73 76 A E T 3 S- 0 0 123 5,-0.5 3,-0.4 1,-0.4 4,-0.2 -0.088 117.8-101.1-114.2 33.6 -13.7 27.6 22.6 74 77 A G X - 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0 0 9 -20,-0.4 3,-0.8 1,-0.3 2,-0.1 0.528 28.6-150.9-100.9 -10.0 30.7 38.4 12.8 359 362 A G T 3 - 0 0 48 1,-0.2 -1,-0.3 -21,-0.1 0, 0.0 -0.393 54.6 -30.8 74.9-150.5 32.9 41.4 12.1 360 363 A E T 3 S+ 0 0 185 -2,-0.1 -1,-0.2 2,-0.0 130,-0.1 0.187 87.1 140.4 -93.7 14.3 33.0 44.6 14.1 361 364 A L < - 0 0 26 -3,-0.8 -3,-0.1 1,-0.1 -71,-0.0 -0.323 53.4-117.3 -55.4 136.0 29.3 44.5 15.2 362 365 A D > - 0 0 77 1,-0.1 3,-1.4 127,-0.0 127,-0.2 -0.198 26.9 -97.0 -76.9 172.3 28.9 45.5 18.8 363 366 A G G > S+ 0 0 0 125,-3.1 3,-1.5 1,-0.3 44,-0.6 0.715 111.2 73.0 -64.5 -25.8 27.6 43.3 21.6 364 367 A a G 3 S+ 0 0 2 1,-0.3 -1,-0.3 124,-0.2 42,-0.1 0.345 81.0 73.2 -81.5 10.8 24.0 44.5 21.5 365 368 A N G < S+ 0 0 23 -3,-1.4 -63,-1.5 123,-0.1 2,-0.3 0.283 97.7 59.4 -91.1 5.6 23.3 42.6 18.2 366 369 A F E < -n 302 0C 0 -3,-1.5 41,-3.1 -65,-0.3 2,-0.4 -0.988 66.4-151.9-138.7 142.1 23.4 39.4 20.2 367 370 A V E -no 303 407C 0 -65,-2.1 -63,-2.1 -2,-0.3 2,-0.3 -0.958 17.8-172.7-117.0 136.2 21.4 37.9 23.1 368 371 A V E + o 0 408C 1 39,-3.3 41,-2.5 -2,-0.4 2,-0.3 -0.801 9.4 163.4-126.7 167.1 22.9 35.4 25.6 369 372 A Y - 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