==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 16-JAN-06 2FP7 . COMPND 2 MOLECULE: SERINE PROTEASE SUBUNIT NS2B; . SOURCE 2 ORGANISM_SCIENTIFIC: WEST NILE VIRUS; . AUTHOR N.SCHIERING,A.D'ARCY,P.ERBEL . 190 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 35.3 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 20 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 2 5 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 E 0 0 246 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.9 38.6 28.0 12.1 2 50 A T - 0 0 37 1,-0.1 75,-0.1 2,-0.1 48,-0.0 -0.576 360.0-163.1 -83.4 151.7 37.9 31.1 10.0 3 51 A D + 0 0 113 -2,-0.2 2,-0.3 73,-0.1 -1,-0.1 0.125 63.9 93.2-114.6 20.7 38.6 31.2 6.3 4 52 A M + 0 0 17 72,-0.4 74,-2.1 46,-0.2 2,-0.3 -0.828 45.0 166.4-114.2 148.9 38.4 35.0 6.1 5 53 A W E -Ab 49 78A 75 44,-2.3 44,-3.3 -2,-0.3 2,-0.3 -0.955 26.8-121.7-149.5 170.3 41.1 37.7 6.4 6 54 A I E -A 48 0A 11 72,-2.2 2,-0.4 -2,-0.3 42,-0.2 -0.891 15.9-166.9-118.3 149.9 41.7 41.4 5.8 7 55 A E E -A 47 0A 88 40,-2.2 40,-2.8 -2,-0.3 2,-0.2 -0.992 23.8-125.1-136.0 125.4 44.3 43.1 3.6 8 56 A R E +A 46 0A 101 -2,-0.4 38,-0.3 38,-0.2 3,-0.1 -0.512 35.5 164.9 -72.3 139.6 45.1 46.8 3.7 9 57 A T E - 0 0 46 36,-3.3 2,-0.3 1,-0.4 116,-0.2 0.638 51.1 -3.1-128.2 -26.9 44.7 48.5 0.3 10 58 A A E -A 45 0A 18 35,-1.5 35,-3.4 114,-0.1 -1,-0.4 -0.993 65.8 -93.4-162.8 162.7 44.6 52.3 0.7 11 59 A D - 0 0 105 -2,-0.3 2,-0.9 33,-0.2 33,-0.1 -0.413 44.1-109.1 -72.4 157.2 44.6 55.4 2.8 12 60 A I + 0 0 35 -2,-0.1 2,-0.3 31,-0.1 -1,-0.1 -0.810 66.3 137.4 -87.9 106.2 41.3 56.9 3.9 13 61 A T - 0 0 72 -2,-0.9 2,-0.4 151,-0.0 150,-0.1 -0.979 57.4-113.4-148.8 160.2 41.2 60.1 1.9 14 62 A W - 0 0 49 -2,-0.3 2,-0.6 147,-0.2 146,-0.0 -0.813 31.8-140.6 -89.3 134.0 39.2 62.5 -0.3 15 63 A E > - 0 0 56 -2,-0.4 3,-1.4 1,-0.1 -2,-0.0 -0.887 3.6-155.3 -99.4 119.5 40.3 62.6 -3.9 16 64 A S T 3 S+ 0 0 120 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.784 93.4 50.7 -65.8 -22.6 40.2 66.1 -5.4 17 65 A D T 3 S+ 0 0 134 2,-0.0 -1,-0.2 111,-0.0 -2,-0.0 0.418 79.6 141.6 -94.6 4.4 39.9 64.7 -9.0 18 66 A A < - 0 0 13 -3,-1.4 110,-0.2 1,-0.1 2,-0.2 -0.049 56.5-110.8 -51.3 140.1 37.0 62.3 -8.3 19 67 A E E -h 128 0B 127 108,-0.7 110,-3.0 1,-0.0 2,-0.5 -0.493 28.2-132.4 -62.7 139.5 34.2 61.9 -11.0 20 68 A I E +h 129 0B 110 108,-0.2 2,-0.3 -2,-0.2 110,-0.2 -0.875 43.1 148.2 -99.1 129.7 30.9 63.3 -9.9 21 69 A T + 0 0 55 108,-2.6 110,-0.3 -2,-0.5 125,-0.1 -0.901 20.1 47.5-150.1 171.1 28.0 60.9 -10.5 22 70 A G - 0 0 45 -2,-0.3 2,-0.3 108,-0.1 109,-0.1 -0.086 63.2 -97.0 85.4 177.5 24.6 59.8 -9.3 23 71 A S - 0 0 47 123,-0.1 2,-0.9 107,-0.1 123,-0.6 -0.882 23.0-112.2-134.6 163.7 21.4 61.5 -8.2 24 72 A S - 0 0 65 -2,-0.3 2,-0.2 108,-0.2 121,-0.1 -0.804 42.9-179.3-100.9 92.9 19.7 62.6 -5.0 25 73 A E - 0 0 86 -2,-0.9 109,-2.3 119,-0.2 2,-0.5 -0.549 19.1-149.1 -90.4 157.9 16.6 60.4 -4.6 26 74 A R E +m 134 0C 146 107,-0.2 2,-0.4 -2,-0.2 109,-0.2 -0.962 26.1 168.2-130.4 112.6 14.1 60.6 -1.8 27 75 A V E -m 135 0C 16 107,-2.1 109,-3.1 -2,-0.5 2,-0.5 -0.972 35.0-126.5-133.9 136.2 12.4 57.3 -1.0 28 76 A D E +m 136 0C 74 -2,-0.4 12,-1.9 12,-0.3 2,-0.3 -0.714 43.5 161.2 -78.3 126.0 10.2 56.1 1.9 29 77 A V E -Q 39 0D 0 107,-2.0 2,-0.4 -2,-0.5 10,-0.2 -0.968 29.7-148.4-139.8 155.7 11.7 52.9 3.4 30 78 A R E -Q 38 0D 120 8,-2.4 8,-3.3 -2,-0.3 2,-0.6 -0.962 17.2-135.0-119.4 149.3 11.5 50.9 6.6 31 79 A L E -Q 37 0D 39 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.908 24.4-146.9-101.4 116.5 14.3 48.9 8.1 32 80 A D > - 0 0 19 4,-2.6 3,-2.1 -2,-0.6 4,-0.0 -0.323 28.9 -97.4 -80.0 169.0 13.1 45.4 9.2 33 81 A D T 3 S+ 0 0 129 1,-0.3 59,-0.1 2,-0.1 60,-0.1 0.629 122.5 54.2 -65.0 -15.9 14.5 43.5 12.1 34 82 A D T 3 S- 0 0 78 2,-0.2 -1,-0.3 58,-0.1 58,-0.1 0.228 123.9-101.0-101.9 14.7 16.9 41.4 10.0 35 83 A G S < S+ 0 0 0 -3,-2.1 2,-0.6 1,-0.3 -2,-0.1 0.610 76.3 137.9 85.5 15.2 18.4 44.6 8.6 36 84 A N - 0 0 38 135,-0.1 -4,-2.6 157,-0.0 -1,-0.3 -0.827 49.3-135.1 -95.4 122.8 16.7 44.6 5.2 37 85 A F E -Q 31 0D 7 -2,-0.6 2,-0.4 135,-0.5 -6,-0.2 -0.573 22.3-157.9 -69.5 136.6 15.4 48.0 3.9 38 86 A Q E -Q 30 0D 61 -8,-3.3 -8,-2.4 -2,-0.3 2,-0.1 -0.985 14.9-122.8-122.5 129.2 11.9 47.7 2.5 39 87 A L E Q 29 0D 74 -2,-0.4 -10,-0.2 -10,-0.2 136,-0.0 -0.403 360.0 360.0 -63.7 142.4 10.3 50.1 0.0 40 88 A M 0 0 137 -12,-1.9 -12,-0.3 -2,-0.1 -1,-0.0 -0.914 360.0 360.0-115.1 360.0 7.0 51.7 1.2 41 !* 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 42 19 B T 0 0 101 0, 0.0 18,-0.2 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 130.2 47.0 50.1 10.8 43 20 B T + 0 0 80 16,-0.1 2,-0.3 -35,-0.0 18,-0.2 -0.222 360.0 74.5 -56.4 133.8 44.5 52.8 10.0 44 21 B G E S- C 0 60A 0 16,-2.0 16,-2.7 -33,-0.1 2,-0.4 -0.965 80.4 -45.7 157.8-170.3 43.1 52.6 6.5 45 22 B V E -AC 10 59A 0 -35,-3.4 -36,-3.3 -2,-0.3 -35,-1.5 -0.805 53.0-168.4 -97.3 134.6 40.9 51.0 3.9 46 23 B Y E -AC 8 58A 12 12,-2.8 12,-2.0 -2,-0.4 2,-0.4 -0.899 20.9-134.7-127.4 149.9 40.8 47.1 3.7 47 24 B R E -AC 7 57A 26 -40,-2.8 -40,-2.2 -2,-0.3 2,-0.6 -0.833 21.0-138.7 -94.8 140.5 39.6 44.3 1.5 48 25 B I E -AC 6 56A 0 8,-3.0 7,-2.4 -2,-0.4 8,-1.6 -0.927 29.0-169.2 -99.4 118.3 37.8 41.4 3.2 49 26 B M E AC 5 54A 20 -44,-3.3 -44,-2.3 -2,-0.6 5,-0.2 -0.738 360.0 360.0-111.2 154.1 39.0 38.2 1.6 50 27 B T 0 0 29 3,-2.3 3,-2.1 -2,-0.3 -46,-0.2 -0.797 360.0 360.0-151.1 360.0 37.9 34.6 1.8 51 ! 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 52 33 B S 0 0 128 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 153.0 40.7 33.5 -3.1 53 34 B Y - 0 0 152 -3,-2.1 -3,-2.3 68,-0.0 2,-0.7 -0.967 360.0 -99.6-145.8 161.4 38.1 36.2 -3.6 54 35 B Q E +C 49 0A 18 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.710 29.3 177.2 -90.4 116.1 36.9 39.5 -2.1 55 36 B A E - 0 0 19 -7,-2.4 2,-0.3 -2,-0.7 99,-0.2 0.708 62.9 -55.0 -87.3 -24.4 33.8 39.2 0.1 56 37 B G E -C 48 0A 0 -8,-1.6 -8,-3.0 97,-0.1 2,-0.3 -0.947 52.4-106.0 175.4-159.3 33.7 42.8 1.1 57 38 B A E +C 47 0A 0 97,-2.3 11,-0.4 -10,-0.3 2,-0.3 -0.896 26.8 165.3-148.4 174.7 35.6 45.8 2.5 58 39 B G E -C 46 0A 0 -12,-2.0 -12,-2.8 -2,-0.3 2,-0.4 -0.967 29.0-100.2-174.6-172.5 35.9 47.9 5.6 59 40 B V E -CD 45 66A 0 7,-2.0 7,-2.9 -2,-0.3 2,-0.6 -0.989 11.8-144.4-132.8 140.2 38.0 50.4 7.5 60 41 B M E +CD 44 65A 11 -16,-2.7 -16,-2.0 -2,-0.4 2,-0.4 -0.910 30.9 166.3 -95.2 121.7 40.4 50.3 10.4 61 42 B V E > - D 0 64A 25 3,-2.5 3,-1.6 -2,-0.6 42,-0.1 -0.993 66.4 -9.2-138.4 129.4 40.1 53.4 12.6 62 43 B E T 3 S- 0 0 104 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.853 130.0 -54.3 51.1 40.7 41.6 53.9 16.1 63 44 B G T 3 S+ 0 0 55 1,-0.2 2,-0.4 37,-0.0 -1,-0.3 0.597 115.8 110.8 73.8 14.8 42.5 50.2 16.1 64 45 B V E < -D 61 0A 3 -3,-1.6 -3,-2.5 33,-0.0 2,-0.5 -0.973 60.8-138.8-122.3 134.8 39.0 48.9 15.4 65 46 B F E -DE 60 98A 0 33,-2.3 33,-2.3 -2,-0.4 2,-0.4 -0.825 21.6-164.9 -95.4 126.9 37.9 47.2 12.1 66 47 B H E +DE 59 97A 0 -7,-2.9 -7,-2.0 -2,-0.5 2,-0.3 -0.917 21.6 137.3-118.7 131.6 34.5 48.4 10.9 67 48 B T E - E 0 96A 0 29,-2.6 29,-2.1 -2,-0.4 2,-0.3 -0.864 55.5 -74.4-150.7-178.0 32.3 46.7 8.2 68 49 B L E >> - E 0 95A 0 -11,-0.4 3,-1.3 -2,-0.3 4,-0.6 -0.713 41.3-124.5 -82.4 144.8 28.7 45.7 7.4 69 50 B W H >> S+ 0 0 68 25,-0.6 4,-2.9 -2,-0.3 3,-1.1 0.906 106.4 59.7 -52.9 -45.0 27.5 42.7 9.4 70 51 B H H 34 S+ 0 0 36 1,-0.2 -1,-0.2 24,-0.2 25,-0.1 0.617 89.5 69.6 -68.8 -13.7 26.5 40.8 6.2 71 52 B T H <4 S+ 0 0 13 -3,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.842 125.6 3.9 -71.2 -34.1 30.0 40.7 4.7 72 53 B T H X< S- 0 0 11 -3,-1.1 3,-1.3 -4,-0.6 -2,-0.2 0.573 82.3-137.7-122.2 -22.0 31.4 38.3 7.4 73 54 B K T 3< S- 0 0 155 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.785 78.4 -54.5 56.3 31.3 28.3 37.4 9.5 74 55 B G T 3 S+ 0 0 17 -5,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.509 93.1 155.2 84.6 7.6 30.7 37.7 12.5 75 56 B A < - 0 0 33 -3,-1.3 -1,-0.3 1,-0.1 -2,-0.1 -0.364 51.2-102.1 -61.3 142.8 33.3 35.3 11.3 76 57 B A - 0 0 18 9,-0.1 2,-0.5 10,-0.1 -72,-0.4 -0.260 34.4-138.2 -62.4 156.5 36.8 36.0 12.8 77 58 B L E - F 0 84A 0 7,-2.5 7,-3.4 -74,-0.1 -72,-0.3 -0.981 2.0-140.6-126.1 122.1 39.3 37.8 10.6 78 59 B M E +bF 5 83A 83 -74,-2.1 -72,-2.2 -2,-0.5 2,-0.3 -0.580 32.5 171.4 -73.4 143.4 43.0 37.0 10.3 79 60 B S E > - 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