==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-MAR-06 2GGV . COMPND 2 MOLECULE: NON-STRUCTURAL PROTEIN 2B; . SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; . AUTHOR A.E.ALESHIN,S.A.SHIRYAEV,A.Y.STRONGIN,R.C.LIDDINGTON . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11497.0 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 . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 34.7 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 . 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 . 19 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.3 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 6 1 3 1 0 1 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 0 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 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 50 A T 0 0 71 0, 0.0 93,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-156.9 2.9 37.0 13.9 2 51 A D + 0 0 108 91,-0.3 62,-1.5 1,-0.1 2,-0.3 0.812 360.0 22.5 -78.2 -30.2 6.1 35.4 12.5 3 52 A M E -Ab 63 94A 12 90,-0.7 92,-2.1 60,-0.2 2,-0.3 -0.907 62.1-175.4-142.8 155.4 4.3 33.8 9.5 4 53 A W E -Ab 62 95A 43 58,-2.3 58,-2.8 -2,-0.3 2,-0.3 -0.933 18.5-125.2-150.4 167.8 1.1 34.2 7.5 5 54 A I E -A 61 0A 11 90,-2.1 2,-0.4 -2,-0.3 92,-0.4 -0.904 12.3-163.4-123.8 151.1 -0.8 32.4 4.7 6 55 A E E -A 60 0A 87 54,-1.9 54,-2.3 -2,-0.3 2,-0.3 -0.995 25.3-122.2-136.4 126.1 -2.1 33.6 1.3 7 56 A R E +A 59 0A 63 -2,-0.4 52,-0.3 52,-0.2 3,-0.1 -0.507 38.3 164.2 -68.4 129.1 -4.7 31.9 -0.9 8 57 A T E + 0 0 4 50,-3.7 2,-0.3 1,-0.3 134,-0.3 0.539 54.4 6.9-127.8 -12.6 -3.1 31.1 -4.2 9 58 A A E -A 58 0A 0 49,-1.5 49,-3.0 17,-0.1 -1,-0.3 -0.988 64.2-109.8-162.3 159.7 -5.3 28.5 -5.9 10 59 A D - 0 0 42 -2,-0.3 2,-0.8 47,-0.2 47,-0.1 -0.564 42.8-107.0 -82.0 163.6 -8.5 26.5 -5.9 11 60 A I + 0 0 36 -2,-0.2 2,-0.3 45,-0.0 171,-0.0 -0.826 64.9 125.1 -92.9 107.2 -8.3 22.8 -5.2 12 61 A S - 0 0 28 -2,-0.8 2,-0.3 169,-0.0 168,-0.1 -0.994 61.4-113.8-157.4 155.1 -9.1 20.9 -8.5 13 62 A W - 0 0 36 -2,-0.3 2,-0.5 165,-0.2 164,-0.1 -0.684 40.9-139.1 -75.6 142.9 -7.9 18.3 -11.0 14 63 A E >> - 0 0 38 -2,-0.3 4,-1.2 1,-0.1 3,-0.7 -0.950 11.0-152.9-114.9 121.1 -7.2 20.2 -14.2 15 64 A S H 3> S+ 0 0 82 -2,-0.5 4,-1.4 1,-0.2 3,-0.4 0.878 97.0 56.8 -50.9 -45.2 -8.2 18.7 -17.6 16 65 A D H 3> S+ 0 0 92 1,-0.3 4,-1.6 2,-0.2 6,-0.3 0.787 103.3 53.4 -64.6 -29.7 -5.4 20.5 -19.4 17 66 A A H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 129,-0.3 0.826 104.8 56.6 -67.7 -35.1 -2.8 19.0 -17.2 18 67 A E H < S+ 0 0 110 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.891 110.2 44.5 -62.0 -39.9 -4.2 15.5 -18.1 19 68 A I H < S+ 0 0 133 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.857 131.0 18.1 -78.6 -37.4 -3.6 16.2 -21.8 20 69 A T H < S- 0 0 107 -4,-1.6 -2,-0.2 0, 0.0 -3,-0.2 0.508 99.3-116.4-113.7 -10.6 -0.1 17.7 -21.7 21 70 A G S < S+ 0 0 27 -4,-2.3 125,-2.8 -5,-0.2 2,-0.3 0.046 93.6 46.0 99.0 -26.5 1.2 16.6 -18.3 22 71 A S E +I 145 0B 58 -6,-0.3 2,-0.4 123,-0.2 123,-0.2 -0.951 60.4 172.7-152.5 125.0 1.6 20.2 -16.9 23 72 A S E -I 144 0B 24 121,-2.6 121,-2.9 -2,-0.3 -6,-0.1 -0.990 31.3-125.7-139.0 132.8 -0.8 23.1 -17.0 24 73 A E E -I 143 0B 109 -2,-0.4 119,-0.3 119,-0.3 2,-0.1 -0.442 41.9-111.6 -63.2 141.3 -0.7 26.5 -15.4 25 74 A R - 0 0 4 117,-2.4 2,-0.4 -2,-0.1 15,-0.1 -0.470 15.3-148.5 -78.0 153.6 -4.0 27.0 -13.4 26 75 A V + 0 0 104 -2,-0.1 2,-0.8 2,-0.1 -1,-0.1 -0.648 35.5 153.3-119.0 71.9 -6.6 29.6 -14.5 27 76 A D + 0 0 8 -2,-0.4 12,-1.2 -19,-0.1 13,-0.6 -0.865 22.5 178.0-102.0 102.8 -8.1 30.7 -11.1 28 77 A V E -P 38 0C 42 -2,-0.8 2,-0.4 10,-0.2 10,-0.2 -0.809 23.5-162.6-115.8 146.3 -9.4 34.2 -11.6 29 78 A R E -P 37 0C 122 8,-2.2 8,-3.1 -2,-0.3 2,-0.4 -0.955 14.1-150.4-117.6 147.0 -11.2 36.8 -9.5 30 79 A L E -P 36 0C 99 -2,-0.4 6,-0.2 6,-0.2 -2,-0.0 -0.961 4.8-145.2-118.7 128.7 -13.0 39.8 -11.1 31 80 A D > - 0 0 90 4,-2.5 3,-1.2 -2,-0.4 6,-0.0 0.002 49.5 -74.1 -74.2-166.5 -13.5 43.2 -9.4 32 81 A D T 3 S+ 0 0 170 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.862 132.0 49.3 -60.7 -38.1 -16.6 45.3 -10.0 33 82 A D T 3 S- 0 0 135 2,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.502 122.2 -99.4 -80.6 -5.2 -15.8 46.3 -13.5 34 83 A G S < S+ 0 0 37 -3,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.567 72.6 151.1 92.8 11.7 -14.9 42.7 -14.7 35 84 A N - 0 0 96 1,-0.1 -4,-2.5 0, 0.0 -1,-0.3 -0.615 42.1-122.1 -78.6 139.4 -11.2 43.2 -14.3 36 85 A F E -P 30 0C 146 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.527 19.7-167.4 -82.9 139.4 -9.1 40.1 -13.6 37 86 A Q E -P 29 0C 109 -8,-3.1 -8,-2.2 -2,-0.2 2,-1.0 -0.994 22.0-136.8-114.7 135.2 -6.9 39.4 -10.6 38 87 A L E > -P 28 0C 54 -2,-0.4 3,-1.2 -10,-0.2 6,-0.2 -0.784 18.9-175.7 -96.5 100.3 -4.7 36.4 -11.0 39 88 A M T 3 S+ 0 0 21 -12,-1.2 -1,-0.2 -2,-1.0 -11,-0.1 0.843 80.8 61.5 -57.0 -37.6 -4.7 34.5 -7.7 40 89 A N T 3 S+ 0 0 0 -13,-0.6 102,-1.7 -15,-0.1 -1,-0.2 0.602 80.6 104.3 -70.0 -17.5 -2.1 32.0 -9.1 41 90 A D X - 0 0 62 -3,-1.2 3,-0.7 100,-0.2 100,-0.1 -0.514 69.1-141.1 -73.2 133.0 0.6 34.6 -9.6 42 91 A P T 3 S+ 0 0 53 0, 0.0 97,-0.1 0, 0.0 -1,-0.1 0.591 104.6 43.6 -68.9 -10.6 3.4 34.8 -7.0 43 92 A G T 3 0 0 65 1,-0.1 -3,-0.0 96,-0.1 -2,-0.0 0.555 360.0 360.0-107.3 -13.3 3.4 38.6 -7.2 44 93 A A < 0 0 77 -3,-0.7 -5,-0.1 -6,-0.2 -1,-0.1 0.778 360.0 360.0 -28.9 360.0 -0.4 39.1 -7.1 45 !* 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 46 10 B P 0 0 139 0, 0.0 2,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.3 -5.7 44.6 19.6 47 11 B K + 0 0 167 1,-0.2 3,-0.2 2,-0.1 2,-0.0 -0.379 360.0 122.5 -84.9 65.9 -8.1 42.0 18.2 48 12 B E + 0 0 99 -2,-2.0 -1,-0.2 1,-0.1 51,-0.1 -0.495 45.3 102.1-107.4 54.9 -6.1 38.7 17.5 49 13 B Y + 0 0 207 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 0.187 69.7 81.4-111.8 12.3 -8.4 36.7 19.8 50 14 B K S S- 0 0 104 -3,-0.2 50,-2.4 48,-0.2 2,-0.2 -0.848 85.4 -98.1-129.8 155.3 -10.2 35.2 16.9 51 15 B K B -c 100 0A 112 -2,-0.3 50,-0.2 48,-0.2 3,-0.1 -0.480 45.5-131.9 -70.6 134.9 -10.0 32.5 14.3 52 16 B G - 0 0 9 48,-2.1 45,-0.2 1,-0.2 48,-0.2 -0.023 41.0 -54.2 -77.6-176.3 -8.6 33.7 10.9 53 17 B D + 0 0 70 43,-2.1 -1,-0.2 46,-0.2 44,-0.0 -0.361 47.2 177.5 -61.9 130.7 -9.8 33.2 7.4 54 18 B T + 0 0 34 -3,-0.1 26,-0.5 -2,-0.1 27,-0.1 -0.018 13.6 162.1-127.9 34.8 -10.2 29.5 6.5 55 19 B T - 0 0 76 1,-0.1 22,-0.1 25,-0.1 -2,-0.0 -0.282 50.9-101.6 -52.6 131.4 -11.6 29.7 2.9 56 20 B T S S+ 0 0 79 20,-0.1 2,-0.3 -49,-0.0 22,-0.2 -0.274 77.9 86.4 -56.8 137.2 -11.1 26.3 1.1 57 21 B G E S- D 0 77A 0 20,-1.7 20,-3.2 -47,-0.1 2,-0.4 -0.949 77.5 -62.6 158.9-174.7 -8.1 26.5 -1.2 58 22 B V E -AD 9 76A 0 -49,-3.0 -50,-3.7 -2,-0.3 -49,-1.5 -0.874 50.6-165.2-108.9 134.9 -4.4 26.2 -1.7 59 23 B Y E -AD 7 75A 3 16,-2.6 16,-2.2 -2,-0.4 2,-0.4 -0.943 21.4-135.6-128.4 147.2 -2.1 28.5 0.2 60 24 B R E -AD 6 74A 9 -54,-2.3 -54,-1.9 -2,-0.4 2,-0.7 -0.774 23.4-139.0 -90.3 138.7 1.5 29.7 0.3 61 25 B I E -AD 5 73A 0 12,-3.3 11,-2.6 -2,-0.4 12,-1.4 -0.922 27.0-172.2-102.5 116.8 3.0 29.9 3.7 62 26 B M E +AD 4 71A 27 -58,-2.8 -58,-2.3 -2,-0.7 2,-0.3 -0.762 8.4 177.9-107.7 151.9 5.1 33.1 4.0 63 27 B T E -AD 3 70A 15 7,-2.4 7,-2.3 -2,-0.3 2,-0.4 -0.978 30.5-104.0-146.1 162.8 7.4 34.4 6.7 64 28 B R E - D 0 69A 170 -62,-1.5 5,-0.2 -2,-0.3 2,-0.2 -0.735 32.4-177.2 -86.5 129.1 9.7 37.4 7.4 65 29 B G - 0 0 37 3,-3.7 5,-0.0 -2,-0.4 3,-0.0 -0.425 48.8 -84.2-100.2-170.7 13.5 37.0 7.1 66 30 B L S S+ 0 0 175 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.868 126.8 29.2 -61.2 -40.8 16.1 39.7 7.9 67 31 B L S S- 0 0 173 1,-0.2 2,-0.3 2,-0.0 -1,-0.2 0.491 129.5 -50.0-105.8 -6.0 15.8 41.4 4.5 68 32 B G S S- 0 0 41 2,-0.0 -3,-3.7 -5,-0.0 2,-0.3 -0.984 74.1 -45.7 162.0-161.5 12.2 40.7 3.5 69 33 B S E +D 64 0A 61 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.714 44.2 175.9-106.3 153.7 9.6 38.0 3.1 70 34 B Y E -D 63 0A 126 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.6 -0.975 37.2 -97.1-149.4 162.9 9.9 34.5 1.5 71 35 B Q E -D 62 0A 20 -2,-0.3 -9,-0.3 -9,-0.2 3,-0.1 -0.740 29.8-178.8 -85.5 118.0 7.8 31.4 1.0 72 36 B A E - 0 0 23 -11,-2.6 2,-0.3 -2,-0.6 -10,-0.2 0.678 62.8 -51.6 -85.5 -24.4 8.5 28.7 3.7 73 37 B G E -D 61 0A 0 -12,-1.4 -12,-3.3 97,-0.1 2,-0.3 -0.966 54.0-100.1 176.2-166.2 6.1 26.2 2.3 74 38 B A E +D 60 0A 0 97,-2.3 11,-0.5 -2,-0.3 2,-0.3 -0.871 29.0 174.4-137.3 172.3 2.6 25.5 1.1 75 39 B G E -D 59 0A 0 -16,-2.2 -16,-2.6 -2,-0.3 2,-0.4 -0.960 24.8-111.3-167.4-177.8 -0.5 23.9 2.4 76 40 B V E -DE 58 83A 0 7,-2.4 7,-3.0 -2,-0.3 2,-0.6 -0.990 13.1-147.8-136.3 134.8 -4.2 23.2 1.9 77 41 B M E +DE 57 82A 0 -20,-3.2 -20,-1.7 -2,-0.4 2,-0.4 -0.890 29.3 161.2-103.8 114.1 -7.4 24.5 3.6 78 42 B V E > - 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