==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-AUG-11 3TAW . COMPND 2 MOLECULE: HYPOTHETICAL GLYCOSIDE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARABACTEROIDES DISTASONIS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 123 35.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 43 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 5 4 1 0 2 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 . 1 0 1 1 0 0 0 1 1 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 S > 0 0 125 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 137.0 32.0 18.3 62.7 2 39 A E T 3 + 0 0 161 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.717 360.0 43.2 -67.7 -22.8 30.5 21.7 61.9 3 40 A T T > S+ 0 0 42 1,-0.1 3,-1.8 2,-0.1 -1,-0.2 0.162 76.8 112.0-106.9 16.1 27.2 20.5 63.3 4 41 A A T < S+ 0 0 56 -3,-1.2 -1,-0.1 1,-0.3 4,-0.1 0.765 72.1 64.1 -55.4 -27.9 28.7 18.8 66.5 5 42 A W T 3 S+ 0 0 29 -3,-0.2 -1,-0.3 -4,-0.2 244,-0.1 0.633 86.2 94.0 -69.5 -19.5 26.9 21.5 68.5 6 43 A C S < S- 0 0 2 -3,-1.8 2,-1.2 1,-0.1 -3,-0.0 -0.363 80.4-120.7 -83.3 157.6 23.4 20.4 67.6 7 44 A L + 0 0 0 -2,-0.1 2,-0.1 340,-0.0 3,-0.1 -0.749 61.0 137.0 -95.5 87.8 21.1 18.1 69.5 8 45 A D + 0 0 54 -2,-1.2 337,-0.4 -4,-0.1 290,-0.0 -0.297 20.8 93.1-113.9-160.6 20.6 15.4 66.8 9 46 A G + 0 0 47 1,-0.2 335,-0.4 -2,-0.1 2,-0.2 0.616 57.0 159.4 81.9 13.0 20.6 11.6 67.0 10 47 A F + 0 0 30 287,-0.2 2,-0.4 333,-0.2 -1,-0.2 -0.471 14.9 178.9 -74.4 138.8 16.8 11.6 67.4 11 48 A E B -A 342 0A 145 331,-1.9 331,-2.5 -2,-0.2 3,-0.0 -0.998 30.8-124.2-138.1 134.8 14.9 8.4 66.6 12 49 A R - 0 0 62 -2,-0.4 329,-0.2 329,-0.2 3,-0.1 -0.659 40.3-113.2 -69.0 124.3 11.3 7.6 66.9 13 50 A P >> - 0 0 31 0, 0.0 3,-1.6 0, 0.0 4,-0.5 -0.440 47.8 -87.7 -63.3 137.7 11.0 4.5 69.0 14 51 A T T 34 S- 0 0 147 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.170 98.2 -15.2 -56.2 122.9 9.7 1.7 66.8 15 52 A G T 34 S+ 0 0 81 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.417 104.5 105.5 72.7 3.7 5.9 1.5 66.6 16 53 A V T <4 + 0 0 41 -3,-1.6 -2,-0.1 324,-0.1 -1,-0.1 0.731 50.9 134.7 -89.4 -27.4 5.1 3.7 69.7 17 54 A N < + 0 0 21 -4,-0.5 322,-0.1 323,-0.1 2,-0.1 -0.503 48.8 42.1 -84.5 150.3 3.9 6.9 68.0 18 55 A P - 0 0 19 0, 0.0 321,-0.3 0, 0.0 3,-0.1 0.565 63.2-177.9 -77.0 152.4 1.7 8.7 68.5 19 56 A V S S+ 0 0 23 319,-1.8 2,-0.4 1,-0.2 68,-0.3 0.623 72.5 40.2 -92.6 -18.2 1.9 8.7 72.2 20 57 A I B +B 338 0A 0 318,-1.5 318,-2.0 23,-0.2 -1,-0.2 -0.979 67.8 169.9-133.4 123.3 -1.2 11.0 72.8 21 58 A K - 0 0 115 -2,-0.4 316,-0.1 316,-0.2 21,-0.1 -0.869 42.0 -80.4-121.7 159.0 -4.3 10.7 70.8 22 59 A P - 0 0 36 0, 0.0 18,-0.2 0, 0.0 -1,-0.1 -0.171 44.9-171.9 -55.0 149.1 -7.8 12.4 71.2 23 60 A L - 0 0 73 16,-1.4 16,-0.4 2,-0.1 19,-0.1 -0.946 34.2-117.8-139.4 160.5 -10.3 10.9 73.7 24 61 A P + 0 0 95 0, 0.0 16,-0.1 0, 0.0 14,-0.1 0.259 58.9 150.5 -84.7 15.1 -14.0 11.6 74.5 25 62 A T - 0 0 28 12,-0.1 13,-0.7 14,-0.1 14,-0.6 -0.105 33.1-146.3 -51.1 136.7 -13.2 12.7 78.1 26 63 A K E +E 37 0B 122 11,-0.2 2,-0.3 12,-0.1 11,-0.2 -0.815 20.2 171.6-107.3 148.7 -15.6 15.2 79.6 27 64 A F E -E 36 0B 17 9,-2.0 9,-3.1 -2,-0.3 2,-0.9 -0.983 40.2-104.0-145.0 159.1 -14.9 18.0 82.1 28 65 A Y E -E 35 0B 145 -2,-0.3 7,-0.3 7,-0.3 -2,-0.0 -0.722 37.1-148.9 -86.2 108.4 -17.0 20.8 83.5 29 66 A C E >> -E 34 0B 0 5,-2.7 4,-2.0 -2,-0.9 5,-1.2 -0.650 10.5-159.4 -82.3 122.4 -15.8 24.0 81.7 30 67 A P T 45S+ 0 0 40 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 0.653 93.1 54.8 -76.1 -15.6 -16.0 27.2 83.8 31 68 A X T 45S+ 0 0 23 66,-0.4 67,-0.1 3,-0.1 -2,-0.0 0.911 122.1 26.8 -76.9 -50.1 -15.9 29.3 80.7 32 69 A R T 45S- 0 0 107 2,-0.2 3,-0.1 76,-0.0 -1,-0.1 0.673 96.9-136.8 -80.5 -22.6 -18.9 27.6 79.0 33 70 A E T <5S+ 0 0 111 -4,-2.0 2,-0.3 1,-0.3 -5,-0.1 0.964 72.5 99.3 52.7 56.6 -20.5 26.5 82.3 34 71 A D E -E 26 0B 14 -2,-0.4 3,-1.1 -11,-0.2 27,-0.4 -0.694 38.2-178.1 -84.2 87.5 -15.4 17.0 75.5 38 75 A W T 3 S+ 0 0 0 -2,-1.5 37,-0.2 -13,-0.7 -1,-0.2 0.550 72.2 29.4 -76.1 -12.2 -12.2 18.9 75.9 39 76 A E T 3 S+ 0 0 1 -14,-0.6 -16,-1.4 -16,-0.4 -1,-0.3 0.070 84.0 113.0-134.0 27.0 -9.8 16.6 74.0 40 77 A E S < S+ 0 0 97 -3,-1.1 23,-0.2 -18,-0.2 -2,-0.1 0.763 79.7 35.4 -74.7 -28.1 -12.1 15.0 71.5 41 78 A S S S- 0 0 24 21,-2.0 2,-0.3 1,-0.3 22,-0.2 0.925 121.1 -8.6 -96.9 -53.5 -10.7 16.5 68.3 42 79 A D E -F 62 0C 17 20,-1.2 20,-2.7 -21,-0.1 2,-0.4 -0.995 43.3-164.4-153.3 143.6 -6.9 16.9 68.4 43 80 A T E +F 61 0C 0 293,-1.9 18,-0.2 -2,-0.3 290,-0.2 -0.959 44.2 113.6-135.1 111.2 -4.1 16.5 70.9 44 81 A F E +F 60 0C 0 16,-2.9 16,-2.4 -2,-0.4 294,-0.2 -0.517 31.8 64.5-152.8-158.8 -0.9 18.1 69.8 45 82 A N E S- 0 0 4 292,-0.3 2,-0.3 14,-0.2 -1,-0.2 0.637 70.9-167.5 22.4 78.5 1.8 20.9 70.3 46 83 A P E - 0 0 0 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.648 25.8-146.2-102.6 147.8 3.0 19.8 73.8 47 84 A A E -F 58 0C 0 11,-2.6 11,-2.0 -2,-0.3 2,-0.3 -0.680 22.5-164.2 -92.1 157.3 5.1 21.2 76.6 48 85 A A E +F 57 0C 4 270,-0.3 272,-0.5 -2,-0.3 68,-0.3 -0.996 17.7 149.2-143.5 147.4 7.2 18.8 78.6 49 86 A T E -F 56 0C 14 7,-2.4 7,-3.0 -2,-0.3 2,-0.4 -0.895 41.3-102.6-155.4-176.4 9.0 19.0 81.9 50 87 A I E +F 55 0C 57 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 40.2 162.6-121.5 130.9 10.1 16.8 84.9 51 88 A Y E > -F 54 0C 70 3,-2.3 3,-1.9 -2,-0.4 -2,-0.1 -0.977 63.3 -4.0-148.8 135.6 8.2 16.9 88.1 52 89 A D T 3 S- 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.871 129.1 -51.7 49.3 46.6 8.1 14.4 91.1 53 90 A G T 3 S+ 0 0 55 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.397 119.5 93.1 79.1 -1.0 10.4 11.9 89.4 54 91 A K E < S-F 51 0C 79 -3,-1.9 -3,-2.3 29,-0.0 2,-0.3 -0.857 78.4-107.5-124.2 158.2 8.4 11.7 86.2 55 92 A I E -FG 50 81C 0 26,-2.5 26,-2.1 -2,-0.3 2,-0.5 -0.673 35.5-159.8 -74.5 133.6 8.2 13.2 82.7 56 93 A V E -FG 49 80C 1 -7,-3.0 -7,-2.4 -2,-0.3 2,-0.5 -0.990 6.3-167.9-117.4 126.5 5.1 15.4 82.5 57 94 A V E -FG 48 79C 1 22,-2.9 22,-2.1 -2,-0.5 2,-0.7 -0.974 5.2-164.4-110.3 126.9 3.7 16.3 79.1 58 95 A X E -F 47 0C 0 -11,-2.0 -11,-2.6 -2,-0.5 2,-0.2 -0.903 21.3-162.9-108.3 99.5 1.1 19.1 79.0 59 96 A Y E - 0 0 0 -2,-0.7 18,-2.4 -13,-0.2 2,-0.6 -0.552 23.2-114.2 -89.8 147.7 -0.5 18.6 75.6 60 97 A R E -FH 44 76C 13 -16,-2.4 -16,-2.9 -2,-0.2 2,-0.4 -0.711 39.1-168.2 -75.7 119.6 -2.6 21.1 73.6 61 98 A A E -FH 43 75C 0 14,-3.4 14,-2.1 -2,-0.6 2,-0.4 -0.940 5.5-161.9-115.9 135.4 -6.0 19.6 73.5 62 99 A E E -FH 42 74C 2 -20,-2.7 -21,-2.0 -2,-0.4 -20,-1.2 -0.945 7.5-144.9-117.4 136.5 -8.8 20.9 71.2 63 100 A D - 0 0 6 10,-1.5 3,-0.3 -2,-0.4 -25,-0.1 -0.229 28.0-111.8 -79.8 178.1 -12.5 20.2 71.5 64 101 A N S S+ 0 0 76 -27,-0.4 -26,-0.1 1,-0.2 3,-0.1 -0.087 73.6 125.3-102.9 34.0 -14.9 19.9 68.5 65 102 A S S S- 0 0 63 8,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.740 85.2 -3.4 -71.1 -19.0 -16.8 23.1 69.1 66 103 A A S S- 0 0 36 -3,-0.3 2,-0.4 2,-0.1 -1,-0.1 -0.963 73.2-113.4-156.6 169.5 -15.9 24.2 65.5 67 104 A Q + 0 0 137 -2,-0.3 2,-0.1 4,-0.1 -3,-0.0 -0.915 69.3 60.0-108.9 137.4 -13.9 23.0 62.5 68 105 A G S > S- 0 0 38 -2,-0.4 3,-2.2 2,-0.0 4,-0.3 -0.193 91.9 -64.9 123.9 144.8 -10.8 24.8 61.1 69 106 A I T 3 S+ 0 0 100 1,-0.3 -2,-0.1 240,-0.2 266,-0.0 -0.395 124.4 7.1 -58.6 127.1 -7.4 25.7 62.5 70 107 A G T 3 S+ 0 0 17 -2,-0.1 -1,-0.3 -4,-0.1 63,-0.1 0.494 100.6 108.6 79.9 9.0 -7.9 28.2 65.4 71 108 A S S < S+ 0 0 27 -3,-2.2 -2,-0.1 -5,-0.1 -4,-0.1 0.491 71.2 46.9 -93.6 -8.4 -11.7 27.8 65.4 72 109 A R S S- 0 0 4 -4,-0.3 2,-0.5 37,-0.1 -8,-0.1 -0.140 92.9 -75.5-120.4-156.7 -12.2 25.9 68.6 73 110 A T - 0 0 0 -7,-0.1 -10,-1.5 -2,-0.1 2,-0.4 -0.974 34.9-153.7-117.8 128.8 -11.0 26.0 72.3 74 111 A S E +Hi 62 110C 0 35,-2.6 37,-2.3 -2,-0.5 2,-0.3 -0.792 18.8 168.2 -99.6 137.8 -7.6 24.8 73.4 75 112 A R E -H 61 0C 0 -14,-2.1 -14,-3.4 -2,-0.4 2,-0.6 -0.925 33.2-111.4-139.6 159.2 -6.9 23.6 76.9 76 113 A L E -HJ 60 95C 0 19,-3.1 18,-2.0 -2,-0.3 19,-1.4 -0.884 24.1-152.8-106.1 126.8 -3.8 21.8 78.3 77 114 A G - 0 0 0 -18,-2.4 2,-0.4 -2,-0.6 14,-0.1 -0.209 10.3-134.4 -80.3 171.8 -3.8 18.2 79.4 78 115 A Y + 0 0 17 12,-0.3 12,-2.9 -20,-0.2 2,-0.4 -0.959 28.9 168.2-136.0 115.2 -1.6 16.6 82.1 79 116 A A E -GK 57 89C 0 -22,-2.1 -22,-2.9 -2,-0.4 2,-0.3 -0.993 14.4-158.9-133.3 136.4 0.1 13.3 81.3 80 117 A T E +GK 56 88C 20 8,-2.6 8,-2.7 -2,-0.4 2,-0.3 -0.841 10.6 177.0-117.2 154.2 2.9 11.5 83.2 81 118 A S E -G 55 0C 4 -26,-2.1 -26,-2.5 -2,-0.3 6,-0.1 -0.997 27.9-164.3-152.5 148.9 5.4 8.9 82.2 82 119 A T S S+ 0 0 78 4,-0.4 5,-0.1 -2,-0.3 -1,-0.1 0.410 100.5 36.0-108.2 -5.0 8.3 6.9 83.7 83 120 A D S S- 0 0 45 3,-0.4 4,-0.1 -28,-0.1 240,-0.0 0.377 103.7-119.3-123.6 -2.7 9.6 5.7 80.3 84 121 A G S S+ 0 0 0 2,-0.3 3,-0.1 -29,-0.1 -3,-0.0 0.395 101.9 62.5 81.1 -2.6 8.9 8.7 78.0 85 122 A I S S+ 0 0 36 1,-0.3 2,-0.5 255,-0.0 -1,-0.1 0.738 89.2 57.6-122.7 -49.1 6.6 6.7 75.8 86 123 A H S S- 0 0 132 -66,-0.0 -3,-0.4 2,-0.0 -4,-0.4 -0.849 71.6-163.8 -96.5 124.1 3.6 5.4 77.8 87 124 A F - 0 0 34 -2,-0.5 2,-0.6 -68,-0.3 -6,-0.2 -0.861 20.5-149.1-116.8 141.3 1.6 8.1 79.5 88 125 A E E -K 80 0C 135 -8,-2.7 -8,-2.6 -2,-0.4 2,-0.4 -0.942 29.5-154.4-103.9 119.5 -1.0 8.2 82.2 89 126 A R E -K 79 0C 56 -2,-0.6 -10,-0.2 -10,-0.2 2,-0.2 -0.812 11.3-126.0-107.8 136.0 -3.4 11.1 81.5 90 127 A D - 0 0 53 -12,-2.9 -12,-0.3 -2,-0.4 4,-0.1 -0.459 12.3-140.5 -67.4 147.4 -5.6 13.2 83.8 91 128 A T S S+ 0 0 102 -2,-0.2 -1,-0.1 -14,-0.1 -2,-0.0 0.674 89.0 61.0 -82.2 -22.3 -9.3 13.3 82.9 92 129 A K S S- 0 0 97 -14,-0.1 -14,-0.1 -65,-0.1 -2,-0.1 -0.929 93.3-115.6-103.4 133.1 -9.4 17.0 83.8 93 130 A P - 0 0 0 0, 0.0 -16,-0.3 0, 0.0 3,-0.1 -0.335 15.1-146.3 -61.0 147.8 -7.3 19.5 82.0 94 131 A A S S+ 0 0 10 -18,-2.0 2,-0.3 1,-0.2 55,-0.2 0.619 83.1 30.8 -91.4 -14.7 -4.6 21.2 84.2 95 132 A F B S+J 76 0C 4 -19,-1.4 -19,-3.1 16,-0.1 -1,-0.2 -0.992 73.8 137.6-148.6 135.0 -4.8 24.6 82.4 96 133 A Y - 0 0 63 -2,-0.3 -21,-0.1 -21,-0.2 2,-0.1 -0.982 53.7 -78.5-169.6 159.8 -7.7 26.2 80.6 97 134 A P + 0 0 2 0, 0.0 -66,-0.4 0, 0.0 2,-0.3 -0.445 56.5 160.5 -71.2 151.4 -9.6 29.5 80.0 98 135 A A - 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