==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-12 2YOL . COMPND 2 MOLECULE: SERINE PROTEASE SUBUNIT NS2B, SERINE PROTEASE NS3 . SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; . AUTHOR C.HAASE,R.HILGENFELD . 213 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 . 1 0.5 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 . 25 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 5 2 2 1 0 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 0 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 47 A S 0 0 87 0, 0.0 2,-0.1 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 34.1 60.6 -26.1 11.4 2 48 A H + 0 0 51 106,-0.1 2,-0.4 56,-0.1 56,-0.0 -0.537 360.0 156.6-146.7 59.3 59.6 -24.6 8.1 3 49 A M + 0 0 131 -2,-0.1 2,-0.3 101,-0.1 99,-0.1 -0.768 12.3 161.7-121.4 135.7 58.8 -27.5 5.9 4 50 A T - 0 0 35 -2,-0.4 100,-0.1 2,-0.1 -2,-0.1 -0.965 51.9-108.2-142.0 160.1 56.6 -28.1 2.8 5 51 A D S S+ 0 0 132 -2,-0.3 68,-0.5 67,-0.1 2,-0.3 0.780 105.5 57.9 -50.7 -31.1 56.2 -30.5 0.0 6 52 A M E +A 72 0A 18 96,-0.5 98,-2.2 66,-0.1 2,-0.3 -0.830 58.4 165.0-117.1 147.7 57.7 -27.7 -2.1 7 53 A W E -Ab 71 104A 45 64,-2.0 64,-3.9 -2,-0.3 2,-0.3 -0.931 23.7-129.8-147.0 167.5 60.9 -25.7 -2.2 8 54 A I E -A 70 0A 10 96,-2.0 2,-0.4 -2,-0.3 98,-0.3 -0.901 9.4-156.7-125.4 151.8 62.9 -23.4 -4.5 9 55 A E E -A 69 0A 93 60,-2.1 60,-2.4 -2,-0.3 2,-0.3 -0.984 21.4-127.1-132.5 122.3 66.5 -23.4 -5.7 10 56 A R E +A 68 0A 106 -2,-0.4 58,-0.3 58,-0.2 3,-0.1 -0.507 40.0 161.4 -66.7 128.1 68.3 -20.3 -7.0 11 57 A T E + 0 0 46 56,-2.9 2,-0.3 1,-0.4 140,-0.2 0.582 49.3 5.3-130.8 -18.3 69.8 -21.4 -10.3 12 58 A A E -A 67 0A 22 55,-1.7 55,-3.2 131,-0.0 -1,-0.4 -0.992 65.7-100.4-162.8 163.9 70.7 -18.4 -12.5 13 59 A D - 0 0 96 -2,-0.3 2,-0.9 53,-0.2 53,-0.1 -0.567 39.0-111.0 -83.0 153.7 70.9 -14.6 -12.8 14 60 A I + 0 0 34 -2,-0.2 2,-0.3 2,-0.0 177,-0.0 -0.787 64.1 139.5 -85.7 105.1 68.4 -12.5 -14.5 15 61 A T - 0 0 43 -2,-0.9 2,-0.7 175,-0.0 170,-0.1 -0.976 58.5-117.6-147.3 154.9 70.2 -11.3 -17.6 16 62 A W - 0 0 50 -2,-0.3 2,-0.4 171,-0.2 -2,-0.0 -0.904 35.9-151.4 -92.7 116.7 70.0 -10.6 -21.3 17 63 A E - 0 0 77 -2,-0.7 3,-0.4 1,-0.1 135,-0.0 -0.750 10.4-162.8 -89.2 137.2 72.5 -13.0 -23.0 18 64 A S S S+ 0 0 114 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.804 88.9 57.1 -92.6 -32.2 74.0 -11.9 -26.3 19 65 A D S S+ 0 0 134 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.213 84.6 142.1 -75.2 14.2 75.3 -15.2 -27.6 20 66 A A - 0 0 14 -3,-0.4 134,-0.2 1,-0.1 2,-0.2 -0.357 57.3-111.9 -71.9 137.3 71.6 -16.3 -27.3 21 67 A E E -j 154 0B 109 132,-0.8 134,-2.8 -2,-0.1 2,-0.2 -0.416 27.6-133.3 -69.6 129.3 70.1 -18.6 -29.9 22 68 A I E +j 155 0B 111 132,-0.2 2,-0.3 -2,-0.2 134,-0.2 -0.633 45.9 129.1 -86.9 150.3 67.4 -17.0 -32.1 23 69 A T + 0 0 49 132,-1.8 134,-0.5 -2,-0.2 149,-0.1 -0.929 20.1 64.9-176.7-176.4 64.2 -19.0 -32.6 24 70 A G - 0 0 34 -2,-0.3 2,-0.3 132,-0.1 149,-0.1 -0.099 65.1-106.0 64.6-166.9 60.4 -19.2 -32.5 25 71 A S - 0 0 56 131,-0.0 2,-0.9 147,-0.0 147,-0.4 -0.988 18.0-108.4-159.4 157.9 58.1 -17.2 -34.8 26 72 A S + 0 0 63 -2,-0.3 2,-0.2 132,-0.2 145,-0.1 -0.728 42.0 174.9-102.5 95.0 55.8 -14.2 -34.6 27 73 A E - 0 0 80 -2,-0.9 133,-3.1 143,-0.2 2,-0.5 -0.620 24.0-149.3 -97.4 151.1 52.1 -15.1 -34.9 28 74 A R E +o 160 0C 159 131,-0.2 2,-0.3 -2,-0.2 133,-0.2 -0.979 29.4 167.5-110.2 131.6 48.9 -13.1 -34.6 29 75 A V E -o 161 0C 23 131,-2.1 133,-3.6 -2,-0.5 2,-0.7 -0.999 36.8-122.0-146.6 150.4 46.0 -15.0 -33.2 30 76 A D E +o 162 0C 94 -2,-0.3 12,-0.7 131,-0.2 2,-0.3 -0.789 46.0 160.3 -91.7 110.7 42.5 -14.3 -31.9 31 77 A V E -S 41 0D 7 131,-1.5 2,-0.4 -2,-0.7 10,-0.2 -0.812 29.5-153.5-130.5 169.3 42.0 -15.6 -28.3 32 78 A R E -S 40 0D 134 8,-2.0 8,-1.8 -2,-0.3 2,-0.8 -0.965 16.3-138.2-145.0 123.1 39.9 -15.2 -25.2 33 79 A L E -S 39 0D 16 -2,-0.4 6,-0.2 6,-0.2 132,-0.0 -0.729 24.2-152.3 -82.5 113.1 41.0 -15.9 -21.6 34 80 A D - 0 0 17 4,-2.3 3,-0.5 -2,-0.8 -1,-0.0 -0.149 31.9 -97.9 -72.3 178.4 38.1 -17.7 -19.8 35 81 A D S S+ 0 0 128 1,-0.2 83,-0.1 2,-0.1 -1,-0.1 0.461 120.6 63.4 -84.3 -1.1 37.6 -17.4 -16.0 36 82 A D S S- 0 0 119 2,-0.2 -1,-0.2 82,-0.1 84,-0.1 0.780 119.6-105.8 -81.0 -34.6 39.4 -20.7 -15.4 37 83 A G S S+ 0 0 6 -3,-0.5 2,-0.5 1,-0.3 -2,-0.1 0.468 78.9 128.7 114.9 11.7 42.6 -19.3 -16.7 38 84 A N - 0 0 61 159,-0.1 -4,-2.3 178,-0.0 -1,-0.3 -0.880 53.0-138.1-101.1 125.0 42.6 -21.1 -20.1 39 85 A F E -S 33 0D 10 -2,-0.5 2,-0.3 159,-0.5 -6,-0.2 -0.582 22.9-162.2 -73.3 143.0 43.0 -19.2 -23.3 40 86 A Q E -S 32 0D 47 -8,-1.8 -8,-2.0 -2,-0.2 2,-0.1 -0.953 10.3-135.6-126.1 146.0 40.7 -20.3 -26.0 41 87 A L E > -S 31 0D 26 -2,-0.3 2,-1.7 -10,-0.2 3,-0.5 -0.355 48.9 -77.4 -84.0 176.1 40.8 -19.7 -29.8 42 88 A M T 3 S- 0 0 159 -12,-0.7 -1,-0.1 1,-0.3 -11,-0.1 -0.594 124.1 -0.2 -75.1 78.6 37.8 -18.7 -32.0 43 89 A N T 3 S- 0 0 166 -2,-1.7 -1,-0.3 1,-0.0 -3,-0.0 0.841 93.6-150.2 93.9 75.0 36.3 -22.3 -32.0 44 90 A D < 0 0 61 -3,-0.5 -4,-0.0 1,-0.1 -1,-0.0 -0.428 360.0 360.0 -82.9 136.8 38.7 -24.5 -29.9 45 91 A P 0 0 141 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.818 360.0 360.0 -95.8 360.0 39.4 -28.3 -30.3 46 ! 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 47 1002 A G 0 0 74 0, 0.0 69,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 175.6 42.1 -12.9 -7.7 48 1003 A V - 0 0 108 67,-0.3 67,-1.3 1,-0.1 2,-0.2 -0.430 360.0-134.2 -94.1 154.5 42.3 -12.9 -3.9 49 1004 A L B -C 114 0A 128 65,-0.2 2,-0.4 -2,-0.1 65,-0.2 -0.617 22.8-123.2 -97.2 164.8 44.8 -11.6 -1.3 50 1005 A W - 0 0 101 63,-1.4 61,-0.0 -2,-0.2 0, 0.0 -0.922 4.8-148.5-114.5 136.0 46.1 -13.5 1.8 51 1006 A D 0 0 158 -2,-0.4 -1,-0.1 1,-0.1 62,-0.0 0.778 360.0 360.0 -67.0 -29.5 45.9 -12.6 5.5 52 1007 A T 0 0 53 60,-0.1 -1,-0.1 61,-0.1 61,-0.1 0.246 360.0 360.0 25.1 360.0 49.3 -14.4 6.1 53 ! 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 54 1009 A S 0 0 103 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.3 50.5 -12.7 11.8 55 1010 A P - 0 0 128 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.329 360.0-151.3 -57.4 96.1 53.4 -14.0 14.1 56 1011 A K - 0 0 92 -2,-0.8 4,-0.1 2,-0.1 -4,-0.0 -0.300 18.0-132.2 -76.1 153.6 54.6 -17.0 12.2 57 1012 A E S S+ 0 0 172 2,-0.1 2,-0.3 -56,-0.0 -1,-0.1 0.333 87.2 47.4 -84.6 5.6 56.2 -20.1 13.8 58 1013 A Y S S- 0 0 42 51,-0.1 -2,-0.1 -56,-0.0 50,-0.1 -0.957 91.1 -91.0-145.8 156.2 59.2 -20.1 11.2 59 1014 A K - 0 0 130 48,-0.4 50,-2.1 -2,-0.3 2,-0.2 -0.156 48.4 -99.7 -62.3 160.6 61.7 -17.8 9.7 60 1015 A K B -d 109 0A 136 48,-0.3 50,-0.2 1,-0.1 48,-0.1 -0.590 49.2 -98.4 -78.0 151.1 60.9 -15.9 6.4 61 1016 A G - 0 0 12 48,-1.0 48,-0.2 47,-0.2 45,-0.2 0.167 36.1 -93.7 -63.0-175.5 62.4 -17.5 3.3 62 1017 A D - 0 0 76 43,-0.2 44,-0.1 46,-0.2 -2,-0.1 0.946 40.3-178.0 -71.8 -54.4 65.6 -16.5 1.5 63 1018 A T + 0 0 39 1,-0.2 26,-0.4 25,-0.0 -1,-0.1 0.600 14.9 163.1 59.7 16.4 64.4 -14.1 -1.3 64 1019 A T - 0 0 69 1,-0.1 -1,-0.2 24,-0.1 22,-0.1 -0.434 48.7 -99.3 -56.5 137.5 67.8 -13.4 -2.9 65 1020 A T S S+ 0 0 74 -2,-0.1 2,-0.3 20,-0.1 22,-0.2 -0.278 76.9 72.4 -58.2 142.3 67.2 -11.8 -6.4 66 1021 A G E S- E 0 86A 0 20,-2.6 20,-3.2 -53,-0.1 2,-0.3 -0.846 80.7 -48.4 143.6-175.2 67.5 -14.2 -9.3 67 1022 A V E -AE 12 85A 0 -55,-3.2 -56,-2.9 -2,-0.3 -55,-1.7 -0.737 54.6-165.7 -98.0 141.3 65.9 -17.1 -11.3 68 1023 A Y E -AE 10 84A 2 16,-2.7 16,-1.6 -2,-0.3 2,-0.4 -0.870 22.1-135.0-132.4 152.8 64.7 -20.2 -9.5 69 1024 A R E -AE 9 83A 34 -60,-2.4 -60,-2.1 -2,-0.3 2,-0.6 -0.849 22.3-140.1 -99.8 142.7 63.6 -23.8 -9.9 70 1025 A I E -AE 8 82A 0 12,-3.7 11,-2.0 -2,-0.4 12,-1.5 -0.939 27.6-165.6-106.2 117.7 60.5 -24.9 -8.0 71 1026 A M E +AE 7 80A 19 -64,-3.9 -64,-2.0 -2,-0.6 2,-0.3 -0.703 19.2 154.8-108.1 152.7 61.0 -28.4 -6.6 72 1027 A T E -AE 6 79A 12 7,-2.2 7,-3.0 -2,-0.3 2,-0.4 -0.960 32.8-117.2-160.9 168.4 58.9 -31.1 -5.2 73 1028 A R E - E 0 78A 163 -68,-0.5 5,-0.3 -2,-0.3 2,-0.1 -0.927 23.1-177.2-116.9 138.3 58.9 -34.9 -4.7 74 1029 A G E > - E 0 77A 38 3,-2.8 3,-1.4 -2,-0.4 5,-0.0 -0.342 54.6 -73.1-107.7-161.9 56.5 -37.5 -6.2 75 1030 A L T 3 S+ 0 0 180 1,-0.3 3,-0.1 -2,-0.1 -2,-0.0 0.847 134.3 48.6 -66.6 -31.2 56.4 -41.3 -5.7 76 1031 A L T 3 S- 0 0 181 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.178 123.6 -99.9 -92.4 17.9 59.5 -41.8 -7.8 77 1032 A G E < S+E 74 0A 30 -3,-1.4 -3,-2.8 2,-0.0 -1,-0.3 -0.559 70.7 0.3 97.5-162.6 61.4 -39.0 -6.0 78 1033 A S E +E 73 0A 66 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.3 -0.127 53.7 165.0 -73.8 154.9 62.1 -35.4 -6.9 79 1034 A Y E -E 72 0A 126 -7,-3.0 -7,-2.2 99,-0.0 2,-0.8 -0.975 41.9-101.0-157.6 158.0 61.0 -33.4 -9.9 80 1035 A Q E -E 71 0A 16 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.764 29.2-175.3 -87.4 113.2 60.9 -29.7 -10.9 81 1036 A A E - 0 0 16 -11,-2.0 2,-0.3 -2,-0.8 99,-0.2 0.868 61.4 -45.8 -74.7 -41.3 57.3 -28.5 -10.6 82 1037 A G E -E 70 0A 0 -12,-1.5 -12,-3.7 97,-0.1 2,-0.3 -0.899 52.8-111.0-164.2-164.7 58.0 -25.0 -12.1 83 1038 A A E +E 69 0A 0 97,-3.1 11,-0.5 -14,-0.3 2,-0.3 -0.863 28.3 166.6-135.5 173.2 60.2 -22.0 -12.2 84 1039 A G E -EF 68 93A 0 -16,-1.6 -16,-2.7 -2,-0.3 2,-0.4 -0.974 28.9-102.0-169.6-179.1 60.0 -18.3 -11.1 85 1040 A V E -EF 67 92A 0 7,-2.2 7,-3.4 -2,-0.3 2,-0.6 -0.961 12.9-148.8-123.6 141.0 61.8 -15.1 -10.4 86 1041 A M E +EF 66 91A 0 -20,-3.2 -20,-2.6 -2,-0.4 2,-0.3 -0.949 33.3 161.0-105.0 117.4 62.9 -13.5 -7.2 87 1042 A V E > - 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