==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-SEP-06 2IJO . COMPND 2 MOLECULE: POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; . AUTHOR A.E.ALESHIN,S.A.SHIRYAEV,A.Y.STRONGIN,R.C.LIDDINGTON . 265 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12705.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 31.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 24 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 RESIDUES PER ALPHA HELIX . 1 1 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 PARALLEL BRIDGES PER LADDER . 3 3 6 2 1 1 1 0 1 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 1 0 1 1 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 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 49 A S 0 0 138 0, 0.0 2,-0.2 0, 0.0 91,-0.1 0.000 360.0 360.0 360.0-168.8 -16.3 6.3 -16.8 2 50 A T - 0 0 30 2,-0.1 91,-0.1 89,-0.1 3,-0.1 -0.629 360.0-135.3-117.8 176.0 -16.0 5.5 -13.1 3 51 A D S S+ 0 0 138 89,-0.4 60,-0.7 -2,-0.2 2,-0.3 0.439 85.7 53.9-109.9 -4.8 -13.1 4.7 -10.7 4 52 A M E +Ab 62 93A 20 88,-0.5 90,-2.0 58,-0.2 2,-0.3 -0.958 55.8 174.7-133.4 151.5 -14.8 1.8 -9.0 5 53 A W E -Ab 61 94A 64 56,-1.6 56,-3.2 -2,-0.3 2,-0.3 -0.907 21.2-126.1-144.2 170.8 -16.5 -1.5 -10.0 6 54 A I E -Ab 60 95A 8 88,-2.5 90,-0.6 -2,-0.3 2,-0.4 -0.913 12.4-167.3-125.1 153.0 -18.0 -4.5 -8.3 7 55 A E E -A 59 0A 88 52,-1.6 52,-1.9 -2,-0.3 88,-0.0 -0.980 27.8-120.5-140.5 122.5 -17.5 -8.3 -8.6 8 56 A R E +A 58 0A 96 -2,-0.4 50,-0.3 50,-0.2 3,-0.1 -0.363 35.1 170.4 -59.5 140.2 -19.8 -11.0 -7.2 9 57 A T E - 0 0 42 48,-3.1 132,-0.3 1,-0.4 2,-0.3 0.473 54.3 -10.4-131.9 -10.5 -17.8 -13.1 -4.8 10 58 A A E -A 57 0A 21 47,-1.2 47,-2.4 130,-0.1 -1,-0.4 -0.985 67.6 -89.6-174.9 174.4 -20.3 -15.3 -3.0 11 59 A D - 0 0 101 -2,-0.3 2,-1.2 45,-0.2 45,-0.1 -0.607 44.3-104.8 -96.4 160.9 -24.0 -16.2 -2.2 12 60 A I + 0 0 37 -2,-0.2 2,-0.3 169,-0.0 169,-0.0 -0.726 67.9 138.2 -87.4 96.1 -26.0 -14.7 0.7 13 61 A S - 0 0 41 -2,-1.2 2,-0.3 167,-0.0 162,-0.1 -0.961 54.1-120.1-143.8 161.2 -26.1 -17.6 3.1 14 62 A W - 0 0 72 -2,-0.3 2,-0.6 163,-0.2 3,-0.1 -0.732 25.8-146.6 -94.0 142.2 -25.8 -18.7 6.7 15 63 A E > - 0 0 71 -2,-0.3 3,-2.3 1,-0.1 -2,-0.0 -0.932 5.0-159.5-117.2 109.1 -23.0 -21.3 7.5 16 64 A S T 3 S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.788 94.8 50.2 -55.0 -30.1 -23.9 -23.7 10.2 17 65 A D T 3 S+ 0 0 128 -3,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.225 81.6 137.8 -94.6 13.9 -20.2 -24.4 10.8 18 66 A A < - 0 0 14 -3,-2.3 126,-0.2 1,-0.1 -4,-0.0 -0.323 60.8-106.6 -62.9 140.5 -19.3 -20.8 11.1 19 67 A E E -j 144 0B 119 124,-0.7 126,-3.8 1,-0.1 2,-0.5 -0.301 30.9-135.3 -64.2 149.6 -16.8 -19.9 13.8 20 68 A I E +j 145 0B 103 124,-0.2 2,-0.3 -3,-0.1 126,-0.2 -0.935 40.5 133.7-113.3 132.8 -18.3 -18.1 16.8 21 69 A T + 0 0 62 124,-2.3 126,-0.3 -2,-0.5 141,-0.1 -0.955 21.0 67.5-161.7 178.0 -16.6 -15.1 18.4 22 70 A G - 0 0 38 -2,-0.3 125,-0.3 124,-0.1 2,-0.2 0.189 62.6-104.7 81.4 155.5 -16.9 -11.5 19.7 23 71 A S - 0 0 50 139,-0.4 139,-0.8 123,-0.1 126,-0.2 -0.508 14.8-131.2-107.9 178.4 -18.8 -10.3 22.8 24 72 A S + 0 0 50 -2,-0.2 2,-0.1 124,-0.1 137,-0.1 -0.411 39.2 156.2-133.2 62.6 -22.1 -8.5 23.3 25 73 A E - 0 0 79 124,-0.1 125,-1.6 1,-0.0 2,-0.4 -0.459 40.9-119.8 -84.8 159.5 -21.6 -5.5 25.6 26 74 A R E -o 150 0C 187 123,-0.2 2,-0.4 -2,-0.1 125,-0.2 -0.849 31.0-171.3-100.3 133.5 -23.9 -2.5 25.6 27 75 A V E -o 151 0C 16 123,-3.2 125,-3.3 -2,-0.4 2,-0.6 -0.986 21.3-130.4-130.9 137.7 -22.3 0.9 24.8 28 76 A D E +o 152 0C 78 -2,-0.4 13,-0.8 123,-0.2 12,-0.7 -0.763 42.6 156.3 -88.5 117.7 -23.7 4.4 25.0 29 77 A V E -S 39 0D 0 123,-1.9 2,-0.3 -2,-0.6 10,-0.2 -0.900 33.6-140.5-138.2 167.4 -23.1 6.4 21.8 30 78 A R E -S 38 0D 135 8,-2.6 8,-3.7 -2,-0.3 2,-0.7 -0.939 17.4-134.3-126.1 146.3 -24.4 9.3 19.8 31 79 A L E -S 37 0D 53 -2,-0.3 6,-0.2 6,-0.2 77,-0.0 -0.889 25.9-152.8-105.0 106.6 -24.7 9.5 16.0 32 80 A D > - 0 0 16 4,-2.8 3,-1.8 -2,-0.7 4,-0.0 -0.147 31.5 -98.4 -72.4 173.2 -23.4 12.8 14.7 33 81 A D T 3 S+ 0 0 128 1,-0.3 75,-0.1 2,-0.1 -1,-0.1 0.580 119.9 67.0 -67.9 -10.3 -24.4 14.5 11.5 34 82 A D T 3 S- 0 0 110 2,-0.2 -1,-0.3 74,-0.1 217,-0.1 0.448 119.2-108.4 -88.0 -1.5 -21.4 13.1 9.7 35 83 A G S < S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.605 80.2 128.3 84.2 12.5 -22.9 9.7 10.1 36 84 A N - 0 0 6 -4,-0.0 -4,-2.8 190,-0.0 2,-0.4 -0.809 58.8-120.8-107.3 143.9 -20.3 8.7 12.7 37 85 A F E -S 31 0D 15 151,-0.4 2,-0.4 -2,-0.3 -6,-0.2 -0.647 23.2-159.3 -86.1 133.6 -20.8 7.3 16.1 38 86 A Q E > -S 30 0D 55 -8,-3.7 -8,-2.6 -2,-0.4 3,-0.6 -0.903 14.8-125.4-112.2 139.3 -19.5 9.1 19.2 39 87 A L E 3 S+S 29 0D 51 -2,-0.4 -10,-0.2 -10,-0.2 -1,-0.0 -0.147 86.2 34.2 -76.7 173.0 -18.9 7.6 22.6 40 88 A M T 3 0 0 180 -12,-0.7 -11,-0.2 1,-0.2 -1,-0.2 0.475 360.0 360.0 61.2 2.0 -20.2 8.5 26.1 41 89 A N < 0 0 77 -13,-0.8 -1,-0.2 -3,-0.6 -12,-0.2 0.947 360.0 360.0 60.6 360.0 -23.4 9.5 24.3 42 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 43 1 B G 0 0 104 0, 0.0 65,-0.6 0, 0.0 66,-0.4 0.000 360.0 360.0 360.0 38.4 -30.4 14.2 5.7 44 2 B G - 0 0 49 62,-0.2 2,-0.4 63,-0.1 62,-0.2 -0.837 360.0-132.5-140.3 176.7 -30.5 12.1 2.5 45 3 B V E -C 105 0A 53 60,-2.8 60,-1.7 -2,-0.3 2,-0.3 -0.998 10.4-153.6-140.1 133.5 -30.2 12.5 -1.3 46 4 B L E C 104 0A 91 -2,-0.4 58,-0.2 58,-0.2 57,-0.1 -0.822 360.0 360.0-106.5 145.7 -32.4 11.0 -4.1 47 5 B W 0 0 83 56,-3.1 56,-0.1 -2,-0.3 58,-0.1 0.003 360.0 360.0 73.2 360.0 -31.1 10.3 -7.6 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 14 B K 0 0 190 0, 0.0 50,-3.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.5 -25.8 0.6 -20.2 50 15 B K B -d 99 0A 120 48,-0.3 50,-0.2 1,-0.1 48,-0.2 -0.651 360.0-129.2 -80.5 128.3 -27.3 -1.0 -17.1 51 16 B G - 0 0 7 48,-2.1 45,-0.2 -2,-0.4 48,-0.1 -0.163 32.0 -76.5 -75.0 169.4 -24.9 -3.2 -15.1 52 17 B D - 0 0 66 43,-2.2 -1,-0.1 46,-0.2 44,-0.0 -0.302 37.0-175.6 -63.8 147.2 -25.3 -6.7 -13.9 53 18 B T + 0 0 45 -3,-0.1 26,-0.6 23,-0.0 27,-0.1 0.015 16.5 161.3-134.9 27.6 -27.5 -7.2 -10.8 54 19 B T - 0 0 73 1,-0.1 22,-0.2 25,-0.1 -2,-0.0 -0.309 51.6-102.6 -54.1 125.2 -27.1 -10.9 -10.1 55 20 B T S S+ 0 0 76 20,-0.1 2,-0.3 -47,-0.0 22,-0.2 -0.167 75.7 77.8 -50.0 139.8 -28.2 -11.5 -6.4 56 21 B G E S- E 0 76A 0 20,-2.3 20,-3.5 -45,-0.1 2,-0.4 -0.916 78.8 -49.9 150.9-177.3 -25.2 -11.9 -4.1 57 22 B V E -AE 10 75A 0 -47,-2.4 -48,-3.1 -2,-0.3 -47,-1.2 -0.799 53.3-164.6 -95.3 133.4 -22.3 -10.6 -2.1 58 23 B Y E -AE 8 74A 1 16,-2.7 16,-1.7 -2,-0.4 2,-0.4 -0.846 20.7-136.3-124.0 158.2 -19.9 -8.3 -3.8 59 24 B R E -AE 7 73A 29 -52,-1.9 -52,-1.6 -2,-0.3 2,-0.7 -0.889 21.8-139.1-105.6 136.5 -16.5 -6.7 -3.5 60 25 B I E -AE 6 72A 0 12,-2.8 11,-2.9 -2,-0.4 12,-1.6 -0.901 28.9-169.0 -99.0 114.2 -16.2 -3.0 -4.3 61 26 B M E +AE 5 70A 26 -56,-3.2 -56,-1.6 -2,-0.7 2,-0.3 -0.631 15.2 167.2-104.5 162.7 -12.9 -2.6 -6.2 62 27 B T E -AE 4 69A 15 7,-2.1 7,-2.8 -58,-0.2 2,-0.4 -0.934 30.2-111.1-158.8 171.1 -10.9 0.5 -7.3 63 28 B R E - E 0 68A 156 -60,-0.7 5,-0.3 -2,-0.3 2,-0.2 -0.947 18.0-157.8-119.6 136.8 -7.4 1.2 -8.7 64 29 B G E > - E 0 67A 21 3,-3.9 3,-1.3 -2,-0.4 195,-0.1 -0.629 44.0 -99.0-100.7 165.0 -4.6 3.0 -7.0 65 30 B L T 3 S+ 0 0 122 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.764 127.1 39.9 -54.0 -19.1 -1.8 4.6 -9.0 66 31 B L T 3 S- 0 0 146 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 -0.350 124.9 -28.2-130.0 56.2 -0.1 1.4 -8.1 67 32 B G E < -E 64 0A 28 -3,-1.3 -3,-3.9 2,-0.0 2,-0.4 -0.434 65.8 -81.0 124.3 161.8 -2.4 -1.6 -8.4 68 33 B S E +E 63 0A 59 -5,-0.3 2,-0.3 -2,-0.1 -5,-0.2 -0.820 51.3 164.2-102.1 139.2 -6.0 -2.7 -8.1 69 34 B Y E -E 62 0A 45 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.5 -0.970 40.4 -92.1-152.8 167.5 -7.6 -3.4 -4.7 70 35 B Q E +E 61 0A 8 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.704 28.4 177.4 -85.4 121.6 -10.8 -3.9 -2.7 71 36 B A E - 0 0 0 -11,-2.9 158,-2.5 -2,-0.5 2,-0.3 0.700 63.8 -53.3 -93.3 -25.7 -12.2 -0.7 -1.1 72 37 B G E -E 60 0A 0 -12,-1.6 -12,-2.8 156,-0.2 2,-0.3 -0.906 54.7-107.7-178.8-151.9 -15.2 -2.4 0.5 73 38 B A E +E 59 0A 0 97,-2.2 11,-0.4 -14,-0.3 2,-0.3 -0.890 21.1 177.0-155.1-177.9 -18.2 -4.6 -0.2 74 39 B G E -E 58 0A 0 -16,-1.7 -16,-2.7 -2,-0.3 2,-0.4 -0.968 27.7-101.7-175.5-177.6 -21.9 -4.7 -0.5 75 40 B V E -EF 57 82A 0 7,-2.4 7,-3.2 -2,-0.3 2,-0.6 -0.988 15.0-146.2-133.2 135.9 -24.9 -6.9 -1.3 76 41 B M E +EF 56 81A 0 -20,-3.5 -20,-2.3 -2,-0.4 2,-0.4 -0.879 29.5 166.0 -99.4 118.3 -27.0 -7.2 -4.4 77 42 B V E > - F 0 80A 24 3,-3.2 3,-1.7 -2,-0.6 42,-0.2 -0.991 63.1 -11.4-138.9 129.2 -30.7 -7.9 -3.6 78 43 B E T 3 S- 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.902 130.2 -49.8 50.4 48.8 -33.7 -7.7 -5.9 79 44 B G T 3 S+ 0 0 25 -26,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.550 119.0 109.3 71.6 7.7 -31.8 -5.9 -8.6 80 45 B V E < -F 77 0A 2 -3,-1.7 -3,-3.2 -27,-0.1 2,-0.6 -0.950 59.8-143.0-122.6 137.0 -30.4 -3.4 -6.1 81 46 B F E -FG 76 114A 0 33,-2.0 33,-2.3 -2,-0.4 2,-0.4 -0.858 20.2-167.3 -98.8 122.1 -26.9 -2.9 -4.8 82 47 B H E +FG 75 113A 0 -7,-3.2 -7,-2.4 -2,-0.6 2,-0.3 -0.875 21.2 136.4-111.0 140.2 -26.6 -1.9 -1.1 83 48 B T E - G 0 112A 0 29,-2.3 29,-2.2 -2,-0.4 2,-0.3 -0.917 54.4 -72.3-161.8-177.8 -23.5 -0.7 0.7 84 49 B L >> - 0 0 0 -11,-0.4 3,-1.6 -2,-0.3 4,-0.7 -0.675 38.1-124.4 -89.5 145.9 -22.4 1.9 3.2 85 50 B W H >> S+ 0 0 56 -2,-0.3 4,-2.6 21,-0.3 3,-0.7 0.878 106.1 60.6 -54.9 -40.5 -22.2 5.5 2.0 86 51 B H H 34 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.2 142,-0.1 0.547 91.7 66.5 -70.9 -5.4 -18.5 5.8 3.0 87 52 B T H <4 S+ 0 0 4 -3,-1.6 -1,-0.2 -14,-0.1 -2,-0.2 0.876 126.1 4.3 -80.8 -37.6 -17.2 3.1 0.7 88 53 B T H X< S- 0 0 8 -4,-0.7 3,-1.2 -3,-0.7 -2,-0.2 0.538 84.4-135.4-120.6 -16.0 -18.0 4.9 -2.5 89 54 B K T 3< S- 0 0 95 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.871 75.0 -56.7 59.6 34.8 -19.3 8.3 -1.4 90 55 B G T 3 S+ 0 0 20 -5,-0.4 -1,-0.2 1,-0.2 2,-0.1 0.606 95.5 150.3 75.3 11.5 -22.1 8.0 -4.0 91 56 B A < - 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