==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-08 3E90 . COMPND 2 MOLECULE: NS2B COFACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; . AUTHOR J.L.MARTIN,G.ROBIN . 430 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 33.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 . 41 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 . 4 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 PARALLEL BRIDGES PER LADDER . 3 6 11 2 4 2 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 . 2 0 0 2 2 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 51 A D 0 0 152 0, 0.0 74,-0.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 15.5 30.6 63.9 -12.6 2 52 A M E +Ab 74 105A 16 102,-0.6 104,-2.0 72,-0.2 2,-0.3 -0.988 360.0 175.5-126.9 136.2 27.5 65.1 -10.7 3 53 A W E -Ab 73 106A 49 70,-1.8 70,-2.9 -2,-0.4 2,-0.4 -0.819 19.1-131.8-132.6 173.9 25.5 68.2 -11.4 4 54 A I E -A 72 0A 10 102,-2.0 2,-0.4 -2,-0.3 104,-0.4 -0.976 8.8-163.1-132.3 145.2 22.4 70.0 -10.1 5 55 A E E -A 71 0A 91 66,-1.9 66,-2.5 -2,-0.4 2,-0.0 -0.992 24.9-123.7-128.8 126.8 19.3 71.5 -11.8 6 56 A R E +A 70 0A 102 -2,-0.4 64,-0.2 64,-0.2 3,-0.1 -0.393 36.2 165.8 -65.4 143.6 16.9 73.9 -10.2 7 57 A T E + 0 0 47 62,-2.6 2,-0.3 1,-0.4 146,-0.3 0.435 52.4 8.0-141.5 -3.0 13.4 72.6 -10.4 8 58 A A E -A 69 0A 19 61,-1.1 61,-2.8 139,-0.0 -1,-0.4 -0.968 66.0-102.9-174.8 158.4 11.2 74.5 -8.0 9 59 A D - 0 0 103 -2,-0.3 2,-0.8 59,-0.2 59,-0.1 -0.418 41.0-110.1 -83.0 165.0 10.8 77.4 -5.6 10 60 A I + 0 0 35 -2,-0.1 2,-0.3 78,-0.1 183,-0.1 -0.875 67.2 116.7 -97.9 109.7 10.9 76.9 -1.8 11 61 A S - 0 0 38 -2,-0.8 2,-0.4 181,-0.1 176,-0.1 -0.992 64.8 -97.8-170.2 162.6 7.3 77.5 -0.5 12 62 A W - 0 0 51 -2,-0.3 2,-0.6 177,-0.2 3,-0.1 -0.716 33.4-147.6 -87.2 130.5 4.2 76.3 1.1 13 63 A E > - 0 0 81 -2,-0.4 3,-1.5 1,-0.1 144,-0.0 -0.908 2.6-154.0-104.6 117.5 1.4 75.3 -1.3 14 64 A S T 3 S+ 0 0 100 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.832 95.5 46.3 -56.6 -37.2 -2.1 76.0 0.1 15 65 A D T 3 S+ 0 0 130 -3,-0.1 -1,-0.3 141,-0.0 2,-0.2 -0.078 83.2 146.7 -99.9 35.5 -3.7 73.3 -2.1 16 66 A A < - 0 0 13 -3,-1.5 140,-0.2 1,-0.1 141,-0.0 -0.465 54.0-101.6 -75.0 141.9 -1.1 70.6 -1.3 17 67 A E E -j 156 0B 102 138,-1.4 140,-3.1 -2,-0.2 2,-0.4 -0.241 32.2-129.9 -61.3 145.5 -2.2 67.0 -1.2 18 68 A I E +j 157 0B 126 138,-0.2 2,-0.3 140,-0.0 140,-0.2 -0.841 38.4 149.9-102.6 135.4 -2.7 65.3 2.3 19 69 A T + 0 0 55 138,-1.8 140,-0.2 -2,-0.4 155,-0.1 -0.989 24.1 39.4-163.3 150.4 -1.1 62.0 3.1 20 70 A G - 0 0 42 -2,-0.3 139,-0.4 138,-0.1 2,-0.3 0.273 58.7-103.5 91.4 148.0 0.3 59.9 5.9 21 71 A S - 0 0 55 153,-0.1 2,-0.7 137,-0.1 153,-0.4 -0.720 32.9-112.6-103.8 154.2 -0.4 59.0 9.5 22 72 A S - 0 0 55 -2,-0.3 2,-0.3 138,-0.1 151,-0.1 -0.792 42.2-171.9 -89.8 114.9 1.5 60.4 12.5 23 73 A E - 0 0 75 -2,-0.7 139,-2.8 149,-0.4 2,-0.5 -0.714 24.0-145.4-109.1 159.8 3.4 57.5 14.1 24 74 A R E +o 162 0C 159 -2,-0.3 2,-0.4 137,-0.2 139,-0.2 -0.951 30.8 176.8-122.5 105.7 5.4 57.1 17.4 25 75 A V E -o 163 0C 8 137,-2.5 139,-3.8 -2,-0.5 2,-0.4 -0.931 27.6-136.0-121.2 136.4 8.3 54.8 16.8 26 76 A D E +o 164 0C 95 -2,-0.4 12,-0.4 137,-0.2 2,-0.3 -0.726 40.5 155.8 -86.3 130.4 11.2 53.6 19.0 27 77 A V - 0 0 1 137,-2.1 2,-0.3 -2,-0.4 10,-0.2 -0.857 34.0-141.0-144.0 178.5 14.5 53.7 17.2 28 78 A R E -S 36 0D 144 8,-0.8 8,-2.3 -2,-0.3 2,-0.5 -0.955 15.5-140.8-139.7 151.8 18.3 53.9 17.7 29 79 A L E -S 35 0D 52 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.973 19.8-152.7-119.8 118.0 20.8 55.7 15.6 30 80 A D > - 0 0 14 4,-2.3 3,-2.0 -2,-0.5 17,-0.1 -0.272 33.2 -97.5 -85.0 175.5 24.1 54.0 14.9 31 81 A D T 3 S+ 0 0 86 15,-0.5 89,-0.2 1,-0.3 16,-0.1 0.603 122.8 59.7 -67.4 -10.3 27.5 55.5 14.2 32 82 A D T 3 S- 0 0 17 14,-0.3 -1,-0.3 2,-0.1 15,-0.1 0.379 121.0-106.1 -96.3 2.7 26.9 54.9 10.5 33 83 A G S < S+ 0 0 2 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.767 72.3 142.7 80.5 26.4 23.8 57.1 10.5 34 84 A N - 0 0 19 8,-0.1 -4,-2.3 -4,-0.1 2,-0.3 -0.873 45.5-140.3-103.2 129.3 21.3 54.2 10.3 35 85 A F E -S 29 0D 10 -2,-0.5 2,-0.4 165,-0.4 -6,-0.2 -0.639 24.7-155.2 -80.6 144.9 18.0 54.4 12.2 36 86 A Q E -S 28 0D 19 -8,-2.3 -8,-0.8 -2,-0.3 2,-0.2 -0.984 13.5-151.4-130.6 133.2 17.2 51.0 13.6 37 87 A L > - 0 0 14 -2,-0.4 3,-1.4 -10,-0.2 -10,-0.1 -0.574 40.5-104.7 -87.1 162.0 13.9 49.4 14.6 38 88 A M T 3 S+ 0 0 156 -12,-0.4 5,-0.1 1,-0.3 -1,-0.1 0.898 118.0 41.8 -57.3 -43.1 14.2 46.8 17.4 39 89 A N T 3 S+ 0 0 148 3,-0.1 -1,-0.3 -3,-0.0 -3,-0.0 0.265 84.7 120.1 -91.3 14.1 13.8 43.8 15.1 40 90 A D S X S- 0 0 32 -3,-1.4 3,-2.3 1,-0.1 306,-0.1 -0.502 74.1-119.8 -75.3 147.9 16.0 45.0 12.2 41 91 A P T 3 S+ 0 0 51 0, 0.0 305,-0.1 0, 0.0 -1,-0.1 0.885 114.8 53.1 -52.8 -39.6 19.0 42.8 11.4 42 92 A G T 3 S+ 0 0 24 303,-0.1 2,-0.5 305,-0.1 -8,-0.1 0.343 75.2 127.7 -80.4 6.6 21.3 45.7 12.2 43 93 A A < + 0 0 44 -3,-2.3 -5,-0.1 1,-0.2 -8,-0.0 -0.517 54.0 60.6 -66.5 116.3 19.8 46.4 15.6 44 94 A G S S- 0 0 74 -2,-0.5 -1,-0.2 2,-0.0 -6,-0.0 0.664 104.9 -74.4 130.9 52.0 22.7 46.5 18.0 45 95 A G - 0 0 63 1,-0.1 2,-0.2 2,-0.0 -15,-0.1 0.362 53.4-177.2 54.3 166.5 25.4 49.1 17.3 46 96 A G 0 0 21 1,-0.0 -15,-0.5 355,-0.0 -14,-0.3 -0.682 360.0 360.0 165.0 140.0 27.9 49.1 14.5 47 97 A G 0 0 66 -2,-0.2 -1,-0.0 355,-0.1 -2,-0.0 0.634 360.0 360.0-128.5 360.0 30.9 50.8 12.9 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 0 B G 0 0 66 0, 0.0 71,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 57.9 31.1 59.1 12.0 50 1 B G - 0 0 56 69,-0.2 68,-0.2 1,-0.2 -19,-0.0 -0.954 360.0 -13.6-123.8 125.3 30.0 62.6 12.9 51 2 B G + 0 0 39 -2,-0.5 2,-0.2 1,-0.1 67,-0.2 0.621 51.1 171.2 68.3 139.1 31.2 65.9 11.6 52 3 B V - 0 0 78 65,-0.4 65,-1.4 -3,-0.1 2,-0.6 -0.808 28.2-131.3-177.5 134.1 34.2 66.9 9.4 53 4 B L B -C 116 0A 111 -2,-0.2 63,-0.2 63,-0.2 62,-0.1 -0.861 34.7-128.7 -97.6 120.0 35.3 70.1 7.6 54 5 B W - 0 0 85 61,-1.8 2,-0.6 -2,-0.6 59,-0.0 -0.161 4.0-128.5 -69.8 157.7 36.3 69.4 4.0 55 6 B D 0 0 163 1,-0.1 -1,-0.1 0, 0.0 60,-0.0 -0.927 360.0 360.0-107.6 113.6 39.5 70.3 2.1 56 7 B T 0 0 106 -2,-0.6 -1,-0.1 57,-0.1 59,-0.0 0.490 360.0 360.0-130.8 360.0 38.8 72.1 -1.2 57 ! 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 58 11 B K 0 0 239 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.5 44.4 77.0 -7.1 59 12 B E - 0 0 176 1,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.137 360.0-155.3 -87.7-173.5 40.8 78.3 -7.3 60 13 B Y - 0 0 93 51,-0.1 2,-0.6 -2,-0.0 50,-0.1 -0.874 36.0 -85.7-150.7 172.1 37.8 77.5 -9.5 61 14 B K - 0 0 126 -2,-0.3 50,-2.5 48,-0.2 2,-0.1 -0.812 46.3-121.9 -91.2 125.4 34.7 79.4 -10.5 62 15 B K B -d 111 0A 101 -2,-0.6 50,-0.2 48,-0.2 47,-0.1 -0.436 32.2-119.2 -66.8 135.6 32.0 79.0 -7.8 63 16 B G - 0 0 7 48,-2.3 2,-0.3 42,-0.2 45,-0.2 -0.117 39.5 -68.1 -71.9 171.4 28.8 77.5 -9.3 64 17 B D - 0 0 75 43,-2.7 -1,-0.2 46,-0.2 44,-0.1 -0.408 43.2-179.6 -61.3 117.7 25.3 78.9 -9.5 65 18 B T + 0 0 39 -2,-0.3 26,-0.4 -3,-0.1 -1,-0.1 -0.078 16.9 161.8-112.5 34.2 23.7 79.2 -6.0 66 19 B T - 0 0 71 1,-0.1 22,-0.2 25,-0.1 -2,-0.0 -0.331 50.2-100.4 -55.0 126.1 20.4 80.6 -7.0 67 20 B T S S+ 0 0 80 20,-0.1 2,-0.3 -2,-0.1 22,-0.2 -0.152 76.8 73.3 -51.1 139.3 17.9 80.1 -4.2 68 21 B G E S- E 0 88A 1 20,-2.3 20,-3.7 -59,-0.1 2,-0.4 -0.956 80.5 -51.5 152.0-170.0 15.6 77.1 -4.6 69 22 B V E -AE 8 87A 0 -61,-2.8 -62,-2.6 -2,-0.3 -61,-1.1 -0.883 54.1-162.8-104.9 134.7 15.0 73.4 -4.7 70 23 B Y E -AE 6 86A 4 16,-3.2 16,-2.0 -2,-0.4 2,-0.4 -0.871 20.7-133.4-126.3 157.1 17.3 71.3 -6.8 71 24 B R E -AE 5 85A 26 -66,-2.5 -66,-1.9 -2,-0.3 2,-0.8 -0.869 22.3-140.1-101.9 132.4 17.6 67.9 -8.4 72 25 B I E -AE 4 84A 0 12,-3.9 11,-1.8 -2,-0.4 12,-1.7 -0.857 29.1-172.6 -97.7 110.9 21.0 66.1 -8.0 73 26 B M E +AE 3 82A 23 -70,-2.9 -70,-1.8 -2,-0.8 2,-0.3 -0.633 12.6 169.8-104.2 160.7 21.8 64.5 -11.3 74 27 B T E -AE 2 81A 11 7,-2.0 7,-2.5 -72,-0.2 2,-0.5 -0.970 30.2-114.5-159.3 163.5 24.6 62.1 -12.4 75 28 B R E - E 0 80A 173 -74,-0.8 5,-0.3 -2,-0.3 2,-0.1 -0.930 32.0-180.0-112.0 130.9 25.5 59.9 -15.4 76 29 B G E > - E 0 79A 20 3,-3.5 3,-1.2 -2,-0.5 170,-0.1 -0.409 50.4 -83.2-112.2-169.2 25.7 56.1 -15.1 77 30 B L T 3 S+ 0 0 89 1,-0.3 342,-0.1 -2,-0.1 3,-0.1 0.607 131.1 46.5 -72.5 -9.9 26.5 53.3 -17.5 78 31 B L T 3 S- 0 0 53 1,-0.5 -1,-0.3 337,-0.0 2,-0.2 0.242 124.4 -85.8-115.7 11.6 22.9 53.5 -18.7 79 32 B G E < -E 76 0A 37 -3,-1.2 -3,-3.5 2,-0.0 -1,-0.5 -0.712 69.8 -28.7 115.9-169.6 22.6 57.3 -19.1 80 33 B S E +E 75 0A 77 -5,-0.3 2,-0.3 -2,-0.2 -5,-0.2 -0.573 61.0 161.2 -87.2 148.3 21.7 60.2 -16.8 81 34 B Y E -E 74 0A 35 -7,-2.5 -7,-2.0 -2,-0.2 2,-0.7 -0.940 43.3 -85.8-154.3 172.9 19.5 59.8 -13.7 82 35 B Q E +E 73 0A 8 -2,-0.3 -9,-0.2 -9,-0.2 3,-0.1 -0.786 29.8 179.8 -94.3 111.6 18.6 61.5 -10.4 83 36 B A E - 0 0 7 -11,-1.8 2,-0.3 -2,-0.7 97,-0.2 0.866 63.7 -58.8 -74.3 -37.0 20.8 60.6 -7.5 84 37 B G E -E 72 0A 0 -12,-1.7 -12,-3.9 97,-0.1 2,-0.3 -0.937 51.7 -99.4-178.2-161.6 18.9 62.8 -5.1 85 38 B A E +E 71 0A 0 97,-2.8 11,-0.4 -14,-0.3 2,-0.3 -0.867 25.5 176.2-140.8 173.9 17.7 66.3 -4.3 86 39 B G E -E 70 0A 0 -16,-2.0 -16,-3.2 -2,-0.3 2,-0.4 -0.977 26.5-110.2-168.7 174.1 18.6 69.3 -2.1 87 40 B V E -EF 69 94A 0 7,-2.1 7,-2.4 -2,-0.3 2,-0.6 -0.978 17.6-147.4-127.2 127.7 17.7 72.8 -1.2 88 41 B M E +EF 68 93A 0 -20,-3.7 -20,-2.3 -2,-0.4 2,-0.4 -0.822 29.7 161.7 -95.3 118.7 19.7 76.0 -2.0 89 42 B V E > - 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