==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-11 4ACY . COMPND 2 MOLECULE: ENDO-ALPHA-MANNOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR A.J.THOMPSON,R.J.WILLIAMS,Z.HAKKI,D.S.ALONZI,T.WENNEKES,T.M. . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 481 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 52 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.5 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 2 2 0 0 2 0 2 0 1 3 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 8 2 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 PARALLEL BRIDGES PER LADDER . 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 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 37 A T 0 0 98 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -62.5 34.1 -3.4 60.5 2 38 A L - 0 0 54 79,-0.1 2,-0.5 1,-0.1 79,-0.2 -0.427 360.0-142.0 -74.9 118.6 30.5 -4.8 60.4 3 39 A D E > -a 81 0A 7 77,-2.5 79,-2.0 -2,-0.4 3,-1.0 -0.660 19.3-169.9 -98.0 122.2 30.5 -8.5 59.9 4 40 A D E 3 S+ 0 0 88 -2,-0.5 -1,-0.1 1,-0.2 77,-0.1 0.271 87.3 58.6 -88.4 12.1 27.9 -10.3 57.8 5 41 A H E 3 S+ 0 0 53 280,-0.0 281,-2.2 143,-0.0 2,-0.5 0.150 88.7 85.1-119.6 14.8 29.0 -13.8 58.9 6 42 A T E < - b 0 286A 0 -3,-1.0 77,-1.1 279,-0.2 2,-0.5 -0.985 59.8-171.8-120.6 126.0 28.3 -13.1 62.6 7 43 A I E -ab 83 287A 0 279,-2.5 281,-2.8 -2,-0.5 2,-0.2 -0.965 9.1-154.6-128.7 118.3 24.8 -13.6 63.8 8 44 A S E -ab 84 288A 0 75,-2.7 77,-3.1 -2,-0.5 2,-0.7 -0.626 23.2-121.4 -86.1 151.0 23.3 -12.8 67.2 9 45 A F E -a 85 0A 0 279,-2.6 282,-2.2 -2,-0.2 283,-1.1 -0.831 37.3-165.4 -89.7 115.3 20.3 -14.5 68.7 10 46 A Y E -a 86 0A 1 75,-2.6 77,-2.5 -2,-0.7 2,-0.5 -0.867 11.0-154.3-111.6 136.8 17.8 -11.7 69.3 11 47 A Y + 0 0 2 -2,-0.4 3,-0.2 75,-0.2 75,-0.1 -0.935 14.1 178.1-117.0 122.7 14.7 -11.9 71.4 12 48 A N + 0 0 14 -2,-0.5 86,-0.2 1,-0.2 87,-0.1 -0.067 55.2 101.5-111.5 31.7 11.7 -9.6 70.7 13 49 A W + 0 0 30 49,-0.1 2,-0.2 50,-0.1 -1,-0.2 0.360 48.9 111.5-102.8 7.4 9.4 -11.0 73.4 14 50 A Y + 0 0 2 -3,-0.2 49,-2.7 11,-0.1 50,-0.4 -0.563 37.8 168.1 -90.4 143.9 9.8 -8.3 76.1 15 51 A G B -J 24 0B 0 9,-2.0 9,-2.4 47,-0.3 11,-0.4 -0.979 13.2-165.3-150.7 157.1 7.0 -6.0 77.0 16 52 A N >> - 0 0 20 -2,-0.3 4,-3.1 7,-0.3 5,-0.8 -0.925 36.9-104.6-142.8 166.6 6.0 -3.5 79.7 17 53 A P H >5S+ 0 0 69 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.874 115.1 55.7 -60.7 -38.4 3.0 -1.6 81.0 18 54 A S H 45S+ 0 0 112 1,-0.2 5,-0.0 2,-0.1 -3,-0.0 0.882 125.2 18.4 -59.9 -44.3 4.0 1.7 79.4 19 55 A V H 45S+ 0 0 60 -3,-0.2 -1,-0.2 3,-0.1 42,-0.0 0.814 141.3 23.6 -98.2 -36.3 4.3 0.4 75.8 20 56 A D H <5S- 0 0 35 -4,-3.1 -2,-0.1 2,-0.2 3,-0.1 0.469 96.9-117.6-116.0 -8.4 2.3 -2.9 75.9 21 57 A G S < - 0 0 24 1,-0.1 3,-2.3 4,-0.1 -1,-0.1 -0.344 58.0 -82.9 -59.1 144.5 12.6 -29.5 88.1 34 70 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.346 115.5 8.3 -58.0 129.8 12.4 -32.3 85.5 35 71 A G T 3 S+ 0 0 4 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.392 104.8 120.6 83.9 0.1 10.2 -35.1 86.7 36 72 A H < - 0 0 18 -3,-2.3 -1,-0.3 464,-0.0 2,-0.2 -0.698 55.8-135.0-103.8 148.1 9.0 -33.3 89.8 37 73 A S + 0 0 13 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.1 -0.626 47.0 110.1 -88.4 155.0 5.6 -32.3 91.0 38 74 A G - 0 0 17 -2,-0.2 2,-0.3 -6,-0.1 424,-0.2 -0.923 66.1 -69.9 165.4 176.6 4.8 -28.9 92.4 39 75 A D - 0 0 61 422,-2.0 2,-0.5 -2,-0.3 -2,-0.0 -0.720 51.4-113.5 -85.9 146.4 3.1 -25.6 91.8 40 76 A V - 0 0 79 -2,-0.3 -9,-0.2 1,-0.1 423,-0.1 -0.736 35.8-144.8 -82.0 123.0 4.5 -23.3 89.1 41 77 A G E -K 30 0C 14 -11,-1.2 -11,-1.8 -2,-0.5 2,-0.3 -0.078 8.6-139.6 -78.2 179.7 6.0 -20.2 90.7 42 78 A A E -K 29 0C 81 -13,-0.3 2,-0.5 -11,-0.0 -15,-0.0 -0.997 13.6-154.3-146.7 140.0 6.0 -16.7 89.3 43 79 A I E -K 28 0C 7 -15,-2.5 -15,-1.8 -2,-0.3 8,-0.2 -0.983 21.4-150.5-106.5 124.5 8.3 -13.7 89.1 44 80 A S - 0 0 43 -2,-0.5 -17,-0.2 -17,-0.2 6,-0.1 0.736 15.1-136.7 -71.3 -26.6 6.1 -10.6 88.8 45 81 A G S S+ 0 0 2 4,-1.9 3,-0.4 1,-0.3 2,-0.2 0.387 71.2 113.3 79.5 -2.8 8.3 -8.3 86.8 46 82 A L > + 0 0 90 3,-0.3 3,-1.9 1,-0.2 -1,-0.3 -0.597 63.7 23.8-100.4 159.7 7.2 -5.6 89.3 47 83 A N T 3 S- 0 0 144 1,-0.3 263,-0.3 -2,-0.2 262,-0.3 0.841 131.8 -64.1 55.2 37.1 9.1 -3.7 91.9 48 84 A D T 3 S+ 0 0 69 -3,-0.4 2,-0.9 1,-0.2 -1,-0.3 0.644 105.1 131.9 62.8 18.9 12.4 -4.3 90.0 49 85 A D < + 0 0 34 -3,-1.9 -4,-1.9 261,-0.1 -3,-0.3 -0.837 36.9 170.4-103.2 92.7 11.9 -8.1 90.7 50 86 A I - 0 0 0 -2,-0.9 2,-2.4 2,-0.2 -23,-0.2 -0.761 45.7-102.9-121.1 157.6 12.4 -9.5 87.2 51 87 A A S S+ 0 0 0 -25,-2.0 2,-0.3 -2,-0.3 203,-0.1 -0.274 89.9 70.4 -81.4 57.5 12.9 -12.9 85.6 52 88 A C S S- 0 0 0 -2,-2.4 -2,-0.2 -26,-0.1 243,-0.2 -0.972 74.8-127.3-163.0 156.1 16.6 -12.9 85.0 53 89 A N S S+ 0 0 5 241,-0.6 261,-3.2 197,-0.4 2,-0.3 0.621 97.4 49.7 -85.8 -18.2 19.8 -13.1 87.1 54 90 A F B S-l 314 0D 9 240,-0.4 261,-0.1 259,-0.2 251,-0.1 -0.736 82.7-129.3-108.9 168.6 21.3 -9.9 85.6 55 91 A Y - 0 0 15 259,-0.5 249,-2.6 249,-0.5 2,-0.1 -0.977 23.5-118.9-125.1 127.0 19.6 -6.6 85.2 56 92 A P B > -M 303 0E 0 0, 0.0 3,-1.7 0, 0.0 247,-0.3 -0.335 6.1-137.2 -68.4 141.8 19.4 -4.7 81.9 57 93 A E T 3 S+ 0 0 94 245,-2.3 246,-0.1 1,-0.3 3,-0.1 0.886 111.6 51.9 -52.1 -39.9 20.9 -1.2 81.5 58 94 A L T 3 S- 0 0 36 244,-0.4 -1,-0.3 1,-0.3 245,-0.1 0.367 106.2-142.9 -84.9 6.6 17.7 -0.4 79.5 59 95 A G < - 0 0 15 -3,-1.7 2,-2.0 1,-0.2 -1,-0.3 -0.279 60.5 -15.4 70.6-153.7 15.5 -1.7 82.4 60 96 A T S S- 0 0 32 -3,-0.1 -1,-0.2 -15,-0.1 -34,-0.0 -0.547 91.8-178.4 -82.8 72.4 12.3 -3.6 81.8 61 97 A Y - 0 0 4 -2,-2.0 2,-0.5 1,-0.1 -35,-0.1 -0.234 26.7-121.4 -78.7 162.5 12.1 -2.6 78.3 62 98 A S > - 0 0 0 1,-0.1 3,-1.6 -47,-0.1 -47,-0.3 -0.889 4.1-147.5-102.3 134.5 9.6 -3.2 75.5 63 99 A S T 3 S+ 0 0 0 -49,-2.7 -48,-0.1 -2,-0.5 -1,-0.1 0.655 102.3 60.0 -67.3 -16.4 10.6 -5.0 72.3 64 100 A N T 3 S+ 0 0 43 -50,-0.4 -1,-0.3 37,-0.0 -49,-0.1 0.263 78.8 105.7 -94.6 10.9 7.9 -2.8 70.7 65 101 A D X> - 0 0 44 -3,-1.6 4,-2.4 1,-0.1 3,-0.6 -0.834 61.8-152.4 -95.7 112.8 9.6 0.5 71.7 66 102 A P H 3> S+ 0 0 64 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.825 96.3 55.9 -56.0 -32.3 11.3 2.1 68.7 67 103 A E H 3> S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.888 108.6 46.4 -66.2 -39.6 13.8 3.8 71.0 68 104 A I H <> S+ 0 0 13 -3,-0.6 4,-3.1 -6,-0.2 5,-0.2 0.930 112.8 50.0 -63.8 -46.7 14.8 0.4 72.4 69 105 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.941 110.5 50.0 -60.6 -46.7 15.1 -1.1 68.9 70 106 A R H X S+ 0 0 104 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.932 112.7 47.3 -54.8 -46.9 17.2 1.9 67.8 71 107 A K H X S+ 0 0 84 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.892 109.7 52.6 -63.9 -39.9 19.5 1.4 70.8 72 108 A H H X S+ 0 0 0 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.908 109.5 49.3 -62.2 -41.8 19.7 -2.4 70.2 73 109 A I H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.936 109.2 52.1 -63.4 -45.3 20.8 -1.9 66.6 74 110 A R H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 106.7 54.9 -57.9 -35.3 23.4 0.7 67.8 75 111 A X H X S+ 0 0 19 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.859 105.7 51.2 -68.1 -35.5 24.7 -2.0 70.2 76 112 A H H X>S+ 0 0 2 -4,-1.7 5,-2.0 -3,-0.2 4,-0.8 0.913 107.7 52.7 -65.8 -40.9 25.1 -4.4 67.4 77 113 A I H ><5S+ 0 0 62 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.939 108.6 50.7 -58.0 -44.8 27.1 -1.7 65.5 78 114 A K H 3<5S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.1 45.5 -56.7 -40.5 29.3 -1.4 68.6 79 115 A A H 3<5S- 0 0 0 -4,-1.9 253,-0.3 2,-0.1 -1,-0.2 0.510 108.6-125.4 -82.0 -5.0 29.8 -5.2 68.6 80 116 A N T <<5 + 0 0 36 -3,-1.0 -77,-2.5 -4,-0.8 2,-0.7 0.706 61.2 146.7 63.7 22.7 30.5 -5.3 64.9 81 117 A V E < -a 3 0A 0 -5,-2.0 -1,-0.2 -79,-0.2 -2,-0.1 -0.810 28.2-174.9 -93.0 113.6 27.7 -7.9 64.6 82 118 A G E + 0 0 2 -79,-2.0 30,-2.5 -2,-0.7 2,-0.4 0.523 61.1 54.7 -89.1 -4.8 26.0 -7.4 61.2 83 119 A V E -ac 7 112A 0 -77,-1.1 -75,-2.7 -80,-0.3 2,-0.4 -0.995 55.6-167.6-137.0 135.3 23.1 -9.9 61.5 84 120 A L E -ac 8 113A 0 28,-2.2 30,-3.1 -2,-0.4 2,-0.7 -0.962 12.0-152.2-116.1 135.0 20.4 -10.5 64.1 85 121 A S E -ac 9 114A 0 -77,-3.1 -75,-2.6 -2,-0.4 2,-0.4 -0.934 21.6-148.4-106.8 107.0 18.4 -13.7 64.1 86 122 A V E -ac 10 115A 0 28,-2.7 30,-2.7 -2,-0.7 -75,-0.2 -0.629 18.7-108.4 -84.3 132.7 15.0 -12.8 65.6 87 123 A T E - 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0 0 0 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.447 38.2-141.6 -82.5 164.9 22.6 -4.4 59.6 112 148 A K E -c 83 0A 71 -30,-2.5 -28,-2.2 -2,-0.1 2,-0.4 -0.898 4.1-145.4-130.9 157.8 20.5 -7.5 58.6 113 149 A V E +cd 84 145A 0 31,-2.6 33,-2.5 -2,-0.3 2,-0.2 -0.981 18.1 169.9-126.9 127.8 17.8 -9.6 60.0 114 150 A C E -c 85 0A 3 -30,-3.1 -28,-2.7 -2,-0.4 2,-0.4 -0.697 31.9-103.7-122.4-174.9 17.2 -13.4 59.7 115 151 A F E -ce 86 154A 1 38,-1.0 40,-1.9 -30,-0.3 2,-0.6 -0.902 11.0-155.9-126.5 141.0 14.8 -15.6 61.5 116 152 A H E -ce 87 155A 0 -30,-2.7 -28,-2.6 -2,-0.4 2,-0.6 -0.936 23.2-145.2-112.7 101.3 15.0 -18.2 64.3 117 153 A I E -ce 88 156A 1 38,-3.1 40,-2.0 -2,-0.6 -28,-0.2 -0.608 19.9-159.0 -79.0 116.3 12.1 -20.6 64.0 118 154 A E - 0 0 2 -30,-2.9 2,-2.0 -2,-0.6 262,-0.1 -0.335 32.5 -89.5 -94.3 169.7 11.0 -21.7 67.4 119 155 A P + 0 0 17 0, 0.0 262,-2.2 0, 0.0 3,-0.1 -0.493 60.0 175.9 -80.3 73.3 8.9 -24.7 68.6 120 156 A F > - 0 0 16 -2,-2.0 3,-1.9 -32,-0.2 -30,-0.1 -0.326 43.5 -74.3 -76.6 158.4 5.5 -23.1 68.3 121 157 A N T 3 S+ 0 0 99 1,-0.3 -1,-0.2 -32,-0.2 261,-0.0 -0.319 119.6 11.3 -55.1 128.1 2.3 -25.0 68.9 122 158 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -3,-0.1 5,-0.3 0.620 84.1 172.4 78.2 15.1 1.5 -27.3 66.0 123 159 A R < + 0 0 32 -3,-1.9 -1,-0.2 4,-0.1 3,-0.1 -0.376 12.1 143.1 -59.4 130.3 4.9 -27.0 64.4 124 160 A S > - 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