==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAR-11 3R6F . COMPND 2 MOLECULE: HIT FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ENCEPHALITOZOON CUNICULI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9318.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 15.4 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A E 0 0 165 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 160.0 25.4 25.7 44.1 2 3 A G - 0 0 59 1,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.853 360.0 -43.8-132.7 176.7 27.6 23.7 41.7 3 4 A C > - 0 0 33 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.067 44.2-147.2 -49.2 123.9 27.1 21.4 38.7 4 5 A I H > S+ 0 0 81 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.881 96.8 47.9 -61.6 -40.0 24.2 18.9 39.2 5 6 A F H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 113.0 46.8 -73.1 -39.1 25.8 16.2 37.1 6 7 A C H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 115.5 48.4 -60.5 -45.3 29.2 16.5 38.8 7 8 A T H X S+ 0 0 31 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.939 111.9 48.2 -58.4 -52.1 27.4 16.5 42.2 8 9 A L H X S+ 0 0 56 -4,-3.2 4,-1.4 2,-0.2 5,-0.5 0.866 113.2 47.1 -60.3 -38.3 25.3 13.5 41.3 9 10 A Y H < S+ 0 0 74 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.956 113.3 49.3 -66.7 -45.9 28.3 11.5 40.1 10 11 A R H < S+ 0 0 174 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.899 110.3 49.9 -57.2 -45.7 30.2 12.5 43.3 11 12 A K H < S- 0 0 156 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.820 95.7-153.5 -63.9 -33.1 27.3 11.4 45.5 12 13 A G < + 0 0 44 -4,-1.4 3,-0.4 1,-0.2 2,-0.3 0.592 42.6 136.2 72.3 13.2 27.3 8.1 43.6 13 14 A A + 0 0 54 -5,-0.5 -1,-0.2 1,-0.2 3,-0.1 -0.694 64.8 7.2 -93.7 146.5 23.6 7.4 44.2 14 15 A N S S+ 0 0 148 -2,-0.3 12,-0.4 1,-0.2 2,-0.4 0.570 78.1 154.0 66.4 13.0 21.1 6.2 41.7 15 16 A I - 0 0 41 -3,-0.4 -1,-0.2 1,-0.2 10,-0.2 -0.624 22.4-172.7 -73.0 124.7 23.8 5.6 39.0 16 17 A I + 0 0 71 8,-2.1 2,-0.3 -2,-0.4 -1,-0.2 0.729 64.5 7.3 -94.5 -24.7 22.4 2.9 36.7 17 18 A Y E -A 24 0A 77 7,-0.8 7,-2.3 2,-0.0 2,-0.3 -0.989 62.8-173.7-158.9 148.9 25.4 2.2 34.5 18 19 A E E +A 23 0A 90 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.997 6.6 178.9-149.1 145.2 29.0 3.3 34.4 19 20 A T - 0 0 40 3,-2.4 -2,-0.0 -2,-0.3 38,-0.0 -0.717 54.6 -84.5-128.0-176.7 32.0 3.0 32.1 20 21 A D S S+ 0 0 132 -2,-0.2 3,-0.0 1,-0.2 21,-0.0 0.889 128.4 20.4 -55.9 -37.5 35.5 4.4 32.5 21 22 A R S S+ 0 0 102 35,-0.2 20,-3.2 20,-0.1 21,-0.5 0.639 122.7 45.9-108.3 -18.1 34.4 7.7 31.0 22 23 A L E - B 0 40A 1 18,-0.3 -3,-2.4 19,-0.1 2,-0.3 -0.755 50.1-165.1-129.4 163.0 30.6 7.8 31.3 23 24 A F E -AB 18 39A 2 16,-2.6 16,-3.2 -2,-0.2 2,-0.4 -0.968 14.5-140.6-145.0 160.3 27.7 7.3 33.7 24 25 A A E -AB 17 38A 0 -7,-2.3 -8,-2.1 -2,-0.3 -7,-0.8 -0.949 14.7-177.7-125.3 144.0 24.0 6.9 33.2 25 26 A L E - B 0 37A 13 12,-1.6 12,-2.7 -2,-0.4 2,-0.3 -0.978 31.2-117.6-134.8 147.0 21.0 8.2 35.2 26 27 A I E - B 0 36A 90 -12,-0.4 2,-0.3 -2,-0.3 10,-0.3 -0.675 47.3-104.5 -76.4 136.3 17.2 7.8 34.8 27 28 A D - 0 0 29 8,-2.5 7,-0.2 -2,-0.3 8,-0.1 -0.529 21.0-151.9 -71.7 129.7 15.8 11.3 34.2 28 29 A R S S+ 0 0 195 1,-0.3 -1,-0.1 -2,-0.3 8,-0.0 0.678 96.6 38.7 -73.5 -20.0 14.0 12.6 37.3 29 30 A Y S S- 0 0 190 6,-0.0 -1,-0.3 3,-0.0 2,-0.0 -0.621 92.3-166.4-128.8 70.6 11.7 14.7 35.1 30 31 A P - 0 0 73 0, 0.0 3,-0.1 0, 0.0 64,-0.0 -0.273 31.7-156.9 -75.8 142.4 11.0 12.4 32.1 31 32 A L S S+ 0 0 92 1,-0.3 71,-0.3 70,-0.1 2,-0.3 0.708 89.5 1.5 -72.6 -23.6 9.4 13.3 28.8 32 33 A S S > S- 0 0 2 69,-0.1 3,-2.3 64,-0.1 -1,-0.3 -0.983 97.8 -71.9-162.4 157.3 8.5 9.6 28.6 33 34 A K T 3 S+ 0 0 167 -2,-0.3 3,-0.1 1,-0.3 68,-0.0 -0.370 120.6 18.0 -62.7 121.5 8.8 6.4 30.6 34 35 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.3 -2,-0.2 59,-0.1 0.319 79.8 160.5 98.0 -3.7 12.4 5.2 30.6 35 36 A H < + 0 0 4 -3,-2.3 -8,-2.5 60,-0.1 -1,-0.3 -0.310 19.2 173.9 -47.8 117.1 13.9 8.6 29.5 36 37 A F E -BC 26 93A 0 57,-2.2 57,-3.0 -10,-0.3 2,-0.4 -0.844 25.7-131.8-130.8 173.5 17.5 8.3 30.6 37 38 A L E -BC 25 92A 8 -12,-2.7 -12,-1.6 -2,-0.3 2,-0.5 -0.958 1.6-155.3-128.8 134.1 20.8 10.3 30.3 38 39 A V E -BC 24 91A 0 53,-2.4 53,-3.0 -2,-0.4 -14,-0.2 -0.977 26.9-176.3-111.7 124.5 24.3 9.2 29.2 39 40 A I E -B 23 0A 0 -16,-3.2 -16,-2.6 -2,-0.5 51,-0.2 -0.977 26.1-128.4-132.1 125.7 26.8 11.6 30.8 40 41 A P E -B 22 0A 0 0, 0.0 -18,-0.3 0, 0.0 15,-0.1 -0.474 20.2-134.7 -67.1 144.1 30.6 11.9 30.5 41 42 A K S S+ 0 0 50 -20,-3.2 -19,-0.1 13,-0.2 2,-0.1 0.889 86.4 82.8 -65.6 -36.1 32.2 12.1 33.9 42 43 A A S S- 0 0 27 -21,-0.5 2,-0.6 12,-0.3 47,-0.1 -0.415 82.1-127.8 -74.4 143.4 34.4 15.0 32.7 43 44 A H + 0 0 85 -2,-0.1 45,-0.1 45,-0.1 -1,-0.1 -0.863 44.6 136.0-102.6 115.9 32.7 18.4 32.9 44 45 A H - 0 0 49 -2,-0.6 45,-1.9 1,-0.1 6,-0.1 -0.958 50.0-128.1-142.6 152.0 32.5 20.9 30.0 45 46 A P S S+ 0 0 41 0, 0.0 2,-0.3 0, 0.0 43,-0.2 0.869 87.8 34.4 -62.1 -41.8 29.5 23.0 28.9 46 47 A Y S > S- 0 0 77 41,-0.1 3,-2.0 34,-0.1 4,-0.4 -0.865 77.7-118.1-126.0 152.8 29.5 22.0 25.1 47 48 A L G > S+ 0 0 67 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.868 113.1 57.1 -55.0 -41.0 30.3 18.9 23.0 48 49 A H G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.572 94.6 68.0 -71.9 -6.8 33.1 20.7 21.2 49 50 A N G < S+ 0 0 64 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.601 87.2 88.7 -82.7 -15.2 34.8 21.5 24.5 50 51 A Y S < S- 0 0 18 -3,-1.7 -6,-0.0 -4,-0.4 -7,-0.0 -0.599 72.4-135.9 -85.3 144.3 35.5 17.7 25.0 51 52 A K >> - 0 0 46 -2,-0.2 3,-0.9 1,-0.1 4,-0.6 -0.632 35.0-107.3 -78.9 156.2 38.6 15.8 23.8 52 53 A P G >4 S+ 0 0 116 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.805 119.7 61.1 -47.5 -37.7 37.7 12.4 22.1 53 54 A E G >4 S+ 0 0 49 1,-0.2 3,-0.8 2,-0.2 -3,-0.0 0.850 102.8 49.1 -63.2 -37.0 39.2 10.7 25.3 54 55 A E G <4 S+ 0 0 51 -3,-0.9 -12,-0.3 1,-0.2 -1,-0.2 0.630 115.7 44.4 -77.9 -14.4 36.6 12.4 27.5 55 56 A L G X< S+ 0 0 37 -3,-0.7 3,-1.2 -4,-0.6 -1,-0.2 0.143 80.0 147.1-114.1 14.2 33.7 11.3 25.1 56 57 A S T < + 0 0 72 -3,-0.8 -35,-0.2 1,-0.2 -3,-0.1 -0.356 67.3 2.5 -63.6 125.1 34.8 7.7 24.5 57 58 A G T 3> S+ 0 0 25 -2,-0.1 4,-2.5 -36,-0.1 5,-0.2 0.542 76.3 136.9 86.8 15.1 32.0 5.3 24.0 58 59 A V H <> S+ 0 0 10 -3,-1.2 4,-2.5 1,-0.2 5,-0.2 0.951 79.0 40.9 -58.9 -52.0 28.8 7.4 24.1 59 60 A L H > S+ 0 0 122 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.873 114.9 52.5 -67.7 -35.1 27.0 5.8 21.2 60 61 A D H > S+ 0 0 125 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.896 111.4 47.8 -61.6 -43.0 28.1 2.3 22.3 61 62 A T H X S+ 0 0 10 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.879 110.8 50.4 -69.6 -38.1 26.8 2.9 25.8 62 63 A I H X S+ 0 0 2 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.956 112.4 47.2 -60.2 -51.2 23.5 4.2 24.4 63 64 A R H X S+ 0 0 38 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.925 111.6 52.0 -53.3 -48.0 23.2 1.1 22.2 64 65 A H H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.942 113.5 42.6 -57.5 -48.8 24.0 -1.1 25.1 65 66 A L H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.905 109.9 53.5 -68.7 -44.0 21.3 0.5 27.4 66 67 A V H X>S+ 0 0 6 -4,-2.9 5,-2.4 2,-0.2 4,-0.7 0.878 112.0 48.8 -58.6 -35.4 18.5 0.7 24.8 67 68 A Q H ><5S+ 0 0 150 -4,-1.9 3,-0.6 -5,-0.3 -2,-0.2 0.943 112.6 46.0 -68.0 -46.2 19.1 -3.1 24.2 68 69 A K H 3<5S+ 0 0 152 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.862 117.2 45.6 -61.6 -35.4 19.1 -3.9 28.0 69 70 A F H 3<5S- 0 0 79 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.576 109.1-124.4 -85.8 -10.6 15.9 -1.7 28.4 70 71 A G T <<5 + 0 0 59 -4,-0.7 2,-0.5 -3,-0.6 -3,-0.2 0.781 52.4 158.9 72.1 27.5 14.2 -3.2 25.3 71 72 A F < + 0 0 44 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.728 14.3 164.2 -86.3 125.1 13.7 0.2 23.6 72 73 A E + 0 0 173 -2,-0.5 2,-0.5 1,-0.3 -1,-0.2 0.679 68.9 46.2-105.8 -27.0 13.1 -0.0 19.9 73 74 A R S S+ 0 0 158 23,-0.2 23,-2.8 2,-0.0 2,-0.3 -0.977 76.9 120.5-123.7 123.0 11.8 3.5 19.2 74 75 A Y E -D 95 0A 82 -2,-0.5 2,-0.4 21,-0.3 19,-0.0 -0.977 47.8-120.3-170.7 162.5 13.5 6.4 20.8 75 76 A N E -D 94 0A 58 19,-2.1 19,-2.7 -2,-0.3 2,-0.5 -0.946 12.4-146.3-119.0 143.5 15.3 9.7 20.1 76 77 A I E +D 93 0A 79 -2,-0.4 2,-0.4 17,-0.2 17,-0.2 -0.941 25.7 179.0-103.2 132.3 18.8 10.7 21.0 77 78 A L E +D 92 0A 54 15,-2.2 15,-3.2 -2,-0.5 2,-0.4 -0.994 14.5 178.3-139.8 131.0 19.2 14.4 21.8 78 79 A Q - 0 0 39 -2,-0.4 2,-0.5 13,-0.2 13,-0.1 -0.997 15.6-153.0-135.1 131.5 22.1 16.6 22.9 79 80 A N - 0 0 26 11,-0.5 2,-0.5 -2,-0.4 11,-0.2 -0.886 13.5-178.1-115.7 124.0 21.8 20.3 23.5 80 81 A N S S- 0 0 62 -2,-0.5 -34,-0.1 -34,-0.1 7,-0.1 -0.870 76.0 -36.1-120.4 93.2 24.5 23.0 23.1 81 82 A G S S+ 0 0 53 -2,-0.5 -35,-0.0 -36,-0.2 6,-0.0 0.647 122.3 78.1 77.4 14.6 23.3 26.5 24.1 82 83 A N S S+ 0 0 149 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.550 113.4 0.0-109.6 -91.5 19.8 26.3 22.7 83 84 A H S S+ 0 0 151 -3,-0.0 2,-0.6 2,-0.0 -4,-0.1 -0.549 96.7 141.0 -97.1 61.8 17.4 24.3 25.0 84 85 A Q + 0 0 22 -2,-0.9 3,-0.1 1,-0.1 -4,-0.0 -0.935 23.1 167.1-113.8 113.9 20.2 23.7 27.5 85 86 A E S S+ 0 0 93 -2,-0.6 2,-0.5 1,-0.2 -1,-0.1 0.840 70.6 46.8 -87.1 -39.0 19.4 23.9 31.2 86 87 A V S S- 0 0 35 2,-0.1 2,-1.8 4,-0.1 -1,-0.2 -0.919 72.3-142.9-117.6 124.5 22.6 22.2 32.6 87 88 A F S S+ 0 0 98 -2,-0.5 2,-0.3 -3,-0.1 -41,-0.1 -0.328 75.6 87.1 -88.5 56.6 26.1 23.2 31.4 88 89 A H S S- 0 0 0 -2,-1.8 -2,-0.1 -43,-0.2 -45,-0.1 -0.912 91.6-102.4-149.7 120.0 27.7 19.8 31.5 89 90 A V + 0 0 0 -45,-1.9 2,-0.3 -2,-0.3 -43,-0.1 -0.178 49.9 167.8 -51.8 131.2 27.3 17.7 28.3 90 91 A H - 0 0 16 -11,-0.2 2,-0.6 -51,-0.2 -11,-0.5 -0.965 28.8-138.4-149.7 138.3 24.6 15.0 28.6 91 92 A F E -C 38 0A 23 -53,-3.0 -53,-2.4 -2,-0.3 2,-0.3 -0.847 16.8-146.7-100.2 121.0 22.9 12.9 26.0 92 93 A H E -CD 37 77A 26 -15,-3.2 -15,-2.2 -2,-0.6 2,-0.5 -0.688 8.5-166.2 -81.9 136.3 19.1 12.4 26.4 93 94 A V E -CD 36 76A 0 -57,-3.0 -57,-2.2 -2,-0.3 -17,-0.2 -0.973 13.7-174.0-122.8 113.0 17.7 9.0 25.3 94 95 A I E - D 0 75A 0 -19,-2.7 -19,-2.1 -2,-0.5 9,-0.3 -0.911 14.8-139.8-122.4 105.1 14.0 9.4 25.1 95 96 A P E - D 0 74A 4 0, 0.0 2,-0.8 0, 0.0 -21,-0.3 -0.291 15.3-124.7 -65.3 145.2 11.8 6.4 24.4 96 97 A F + 0 0 65 -23,-2.8 -23,-0.2 1,-0.2 6,-0.2 -0.829 43.3 157.6 -83.1 112.6 8.8 6.7 22.1 97 98 A V - 0 0 69 4,-2.4 2,-0.3 -2,-0.8 5,-0.2 0.818 62.8 -33.6 -97.5 -58.3 5.9 5.5 24.2 98 99 A S B > S-E 101 0B 51 3,-2.1 3,-1.7 1,-0.0 -1,-0.5 -0.888 71.4 -78.5-150.7-179.8 2.9 7.1 22.5 99 100 A A T 3 S+ 0 0 72 1,-0.3 3,-0.2 -2,-0.3 -1,-0.0 0.825 132.6 36.8 -56.5 -35.6 1.8 10.2 20.6 100 101 A D T 3 S+ 0 0 138 1,-0.2 -1,-0.3 4,-0.0 2,-0.2 0.204 116.6 57.5-102.4 15.1 1.5 12.2 23.8 101 102 A E B < S+E 98 0B 70 -3,-1.7 -4,-2.4 2,-0.1 -3,-2.1 -0.715 90.3 69.4-144.5 86.2 4.5 10.5 25.5 102 103 A R S S- 0 0 96 -71,-0.3 2,-0.4 -2,-0.2 -6,-0.2 -0.952 94.9 -57.1-178.8 171.1 7.6 11.0 23.3 103 104 A L - 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