==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JAN-09 3FVQ . COMPND 2 MOLECULE: FE(3+) IONS IMPORT ATP-BINDING PROTEIN FBPC; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR S.NEWSTEAD,P.BILTON,E.P.CARPENTER,D.CAMPOPIANO,S.IWATA . 691 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 161 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 2.0 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 . 53 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 18.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 0 0 4 4 0 2 0 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 4 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 3 3 5 4 5 5 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 . 0 0 0 4 4 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 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 3 A A 0 0 14 0, 0.0 27,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 138.4 -12.5 -26.1 4.9 2 4 A A - 0 0 23 25,-0.2 60,-3.1 26,-0.1 2,-0.4 -0.651 360.0-157.7 -91.9 157.6 -14.7 -24.8 2.1 3 5 A L E -AB 25 61A 4 22,-2.6 22,-2.4 -2,-0.2 2,-0.4 -0.998 9.1-169.3-138.2 139.4 -18.5 -24.7 2.5 4 6 A H E -AB 24 60A 101 56,-3.0 56,-2.9 -2,-0.4 2,-0.4 -0.969 3.3-177.9-133.5 122.4 -21.3 -24.6 -0.1 5 7 A I E -AB 23 59A 8 18,-2.8 18,-1.8 -2,-0.4 2,-0.5 -0.949 12.0-168.5-113.6 134.3 -25.0 -23.9 0.7 6 8 A G E - B 0 58A 24 52,-2.5 52,-2.1 -2,-0.4 16,-0.2 -0.952 59.8 -34.2-136.0 116.4 -27.4 -24.1 -2.3 7 9 A H E S+ 0 0 126 -2,-0.5 2,-0.3 13,-0.2 15,-0.2 0.828 82.0 179.5 42.6 46.7 -31.0 -22.9 -2.4 8 10 A L E +A 21 0A 0 13,-3.3 13,-3.4 50,-0.1 2,-0.3 -0.605 6.0 172.5 -84.6 133.4 -31.6 -23.9 1.3 9 11 A S E + B 0 56A 32 47,-1.8 46,-2.6 -2,-0.3 47,-1.2 -0.946 12.0 179.0-134.5 162.9 -34.9 -23.4 3.0 10 12 A K E -A 18 0A 30 8,-2.4 7,-2.7 -2,-0.3 8,-2.4 -0.924 2.6-176.8-163.1 129.8 -36.7 -24.2 6.3 11 13 A S E -A 16 0A 42 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.923 18.2-141.9-119.9 152.9 -40.1 -23.5 7.8 12 14 A F E > S-A 15 0A 76 3,-3.2 3,-6.3 -2,-0.3 -2,-0.0 -0.872 75.0 -32.0-105.9 148.7 -41.3 -24.4 11.3 13 15 A Q T 3 S- 0 0 174 -2,-0.4 -2,-0.1 1,-0.3 0, 0.0 -0.123 130.5 -36.9 42.3-128.3 -44.9 -25.5 11.6 14 16 A N T 3 S+ 0 0 153 2,-0.1 -1,-0.3 -3,-0.1 0, 0.0 0.005 117.3 114.8-109.5 36.7 -46.1 -23.3 8.8 15 17 A T E < -A 12 0A 36 -3,-6.3 -3,-3.2 0, 0.0 2,-0.1 -0.871 61.1-142.6-106.2 100.4 -43.7 -20.5 9.7 16 18 A P E +A 11 0A 91 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.436 31.9 159.8 -60.5 140.9 -41.1 -19.8 7.0 17 19 A V E + 0 0 31 -7,-2.7 2,-0.4 1,-0.4 -6,-0.2 0.538 63.7 34.8-135.6 -31.9 -37.6 -18.9 8.6 18 20 A L E -A 10 0A 3 -8,-2.4 -8,-2.4 25,-0.1 2,-0.5 -0.996 68.8-168.2-129.4 132.8 -34.9 -19.6 5.9 19 21 A N E - 0 0 54 194,-2.5 196,-0.3 -2,-0.4 -10,-0.2 -0.901 61.2 -37.9-133.8 99.2 -35.8 -18.8 2.3 20 22 A D E S- 0 0 83 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 0.890 74.2-173.7 56.3 50.0 -33.7 -19.9 -0.6 21 23 A I E +A 8 0A 0 -13,-3.4 -13,-3.3 -15,-0.1 2,-0.4 -0.624 10.5 177.0 -75.0 127.5 -30.3 -19.3 1.1 22 24 A S E + 0 0 51 -2,-0.4 2,-0.3 -15,-0.2 -16,-0.2 -0.981 13.4 154.8-123.0 143.3 -27.3 -19.7 -1.2 23 25 A L E -A 5 0A 15 -18,-1.8 -18,-2.8 -2,-0.4 2,-0.4 -0.945 21.4-159.2-171.4 136.9 -23.9 -19.0 0.4 24 26 A S E -A 4 0A 32 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.974 3.6-166.6-135.2 145.9 -20.4 -20.0 -0.2 25 27 A L E -A 3 0A 1 -22,-2.4 -22,-2.6 -2,-0.4 3,-0.1 -0.987 12.6-147.8-134.2 120.7 -17.2 -20.0 1.8 26 28 A D > - 0 0 94 -2,-0.4 3,-2.6 -24,-0.2 -24,-0.0 -0.546 46.7 -73.7 -79.5 155.2 -13.7 -20.6 0.4 27 29 A P T 3 S+ 0 0 95 0, 0.0 -25,-0.2 0, 0.0 -1,-0.1 -0.173 119.7 5.1 -49.1 128.4 -11.0 -22.3 2.5 28 30 A G T 3 S+ 0 0 19 -27,-0.4 160,-0.1 128,-0.3 2,-0.1 0.512 93.9 143.9 75.3 1.6 -9.7 -20.0 5.3 29 31 A E < - 0 0 15 -3,-2.6 161,-2.0 -28,-0.2 2,-0.6 -0.488 44.9-141.9 -70.5 146.1 -12.3 -17.3 4.4 30 32 A I E -e 190 0B 0 159,-0.2 175,-3.0 -2,-0.1 176,-1.3 -0.942 23.4-174.1-110.3 110.5 -13.7 -15.4 7.4 31 33 A L E -ef 191 206B 2 159,-2.5 161,-2.9 -2,-0.6 2,-0.4 -0.865 11.7-157.8-105.9 136.0 -17.4 -14.7 6.8 32 34 A F E -ef 192 207B 0 174,-2.2 176,-2.9 -2,-0.4 2,-0.5 -0.944 4.4-158.4-107.5 137.7 -19.6 -12.6 9.1 33 35 A I E +ef 193 208B 2 159,-2.7 161,-1.4 -2,-0.4 2,-0.3 -0.967 21.0 168.7-111.2 124.4 -23.4 -13.1 9.0 34 36 A I E + f 0 209B 3 174,-2.6 176,-3.1 -2,-0.5 2,-0.2 -0.910 7.7 130.3-133.8 161.9 -25.4 -10.2 10.2 35 37 A G E - f 0 210B 2 159,-0.4 176,-0.2 -2,-0.3 3,-0.1 -0.841 55.2 -61.1 165.8 159.1 -29.1 -9.2 10.2 36 38 A A S > S- 0 0 43 174,-0.6 3,-2.1 -2,-0.2 4,-0.2 -0.075 70.9 -74.8 -58.6 158.3 -31.9 -8.0 12.3 37 39 A S T 3 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.1 474,-0.1 -0.278 120.6 19.3 -58.8 135.9 -33.2 -10.0 15.3 38 40 A G T 3 S+ 0 0 36 -3,-0.1 -1,-0.3 173,-0.0 -2,-0.1 0.439 85.1 123.5 88.2 2.5 -35.3 -13.0 14.1 39 41 A C S < S- 0 0 6 -3,-2.1 174,-1.4 173,-0.1 172,-0.1 0.620 85.9 -97.8 -76.9 -12.5 -33.9 -13.0 10.6 40 42 A G S > S+ 0 0 6 -4,-0.2 4,-2.2 172,-0.1 5,-0.2 0.566 77.7 133.2 115.1 12.1 -32.6 -16.6 10.7 41 43 A K H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.935 79.7 39.9 -59.0 -49.2 -28.9 -16.4 11.6 42 44 A T H > S+ 0 0 35 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.870 112.8 56.6 -71.6 -34.2 -28.8 -19.1 14.3 43 45 A T H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 106.3 51.2 -63.4 -42.4 -31.3 -21.3 12.3 44 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.962 111.5 47.0 -55.2 -56.0 -28.8 -21.2 9.3 45 47 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 6,-0.2 0.900 110.3 52.4 -52.2 -45.7 -25.9 -22.3 11.6 46 48 A R H X>S+ 0 0 78 -4,-3.0 6,-1.5 1,-0.2 5,-1.4 0.890 108.6 50.8 -60.8 -39.3 -28.0 -25.1 13.2 47 49 A C H <5S+ 0 0 0 -4,-2.3 -1,-0.2 4,-0.2 -2,-0.2 0.909 111.0 49.0 -65.2 -39.7 -28.8 -26.4 9.7 48 50 A L H <5S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 113.7 45.7 -59.9 -45.2 -25.1 -26.4 8.8 49 51 A A H <5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.2 29,-0.2 0.615 115.8-115.3 -79.2 -13.1 -24.2 -28.2 12.1 50 52 A G T <5S+ 0 0 20 -4,-1.2 25,-0.3 2,-0.3 -3,-0.2 0.469 85.0 117.1 91.6 3.7 -27.0 -30.7 11.6 51 53 A F S S-BC 3 64A 6 3,-2.9 3,-2.4 -2,-0.4 -58,-0.2 -0.981 75.4 -18.0-129.3 125.5 -18.4 -29.3 3.2 62 64 A S T 3 S- 0 0 83 -60,-3.1 -1,-0.1 -2,-0.4 -59,-0.1 0.829 130.8 -49.3 38.9 41.8 -14.9 -29.5 1.7 63 65 A G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -61,-0.1 -1,-0.3 0.306 116.0 113.5 93.6 -10.6 -16.4 -30.9 -1.5 64 66 A K E < S-C 61 0A 111 -3,-2.4 -3,-2.9 2,-0.0 2,-0.3 -0.872 70.0-124.5-101.7 122.1 -18.5 -33.6 0.3 65 67 A T E +C 60 0A 66 -2,-0.6 -5,-0.3 -5,-0.3 3,-0.1 -0.454 35.0 169.9 -59.7 116.7 -22.2 -33.4 0.1 66 68 A I E + 0 0 3 -7,-3.0 7,-2.2 1,-0.3 2,-0.4 0.658 66.1 29.3-107.6 -21.4 -23.5 -33.4 3.8 67 69 A F E S+CD 59 72A 12 -8,-2.6 -8,-2.3 5,-0.2 -1,-0.3 -0.985 74.3 116.6-139.2 135.2 -27.1 -32.5 3.2 68 70 A S S S- 0 0 5 3,-2.5 3,-0.4 -2,-0.4 -10,-0.1 -0.956 77.3 -70.5-168.7-179.4 -29.4 -33.1 0.2 69 71 A K S S+ 0 0 198 -2,-0.3 -11,-0.0 1,-0.2 -1,-0.0 0.874 135.7 29.9 -53.4 -32.5 -32.5 -34.9 -0.9 70 72 A N S S+ 0 0 139 1,-0.0 2,-0.3 -3,-0.0 -1,-0.2 0.464 119.0 52.7-108.9 -1.9 -30.5 -38.2 -0.5 71 73 A T + 0 0 36 -3,-0.4 -3,-2.5 2,-0.0 -5,-0.1 -0.961 40.6 164.8-138.6 149.5 -28.0 -37.4 2.3 72 74 A N B -D 67 0A 68 -2,-0.3 -5,-0.2 -5,-0.2 -6,-0.1 -0.390 24.1-153.1-164.7 76.9 -28.1 -36.1 5.8 73 75 A L - 0 0 21 -7,-2.2 5,-0.1 1,-0.1 -2,-0.0 -0.301 25.0-113.6 -61.5 136.0 -25.0 -36.7 7.9 74 76 A P >> - 0 0 70 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.245 31.1-103.9 -64.0 156.2 -25.5 -36.9 11.6 75 77 A V G >4 S+ 0 0 50 -25,-0.3 3,-2.1 1,-0.3 -24,-0.1 0.902 118.3 56.4 -44.6 -57.5 -24.1 -34.1 13.7 76 78 A R G 34 S+ 0 0 248 1,-0.3 -1,-0.3 -26,-0.1 -26,-0.0 0.669 105.6 54.1 -56.1 -19.1 -21.1 -36.1 15.1 77 79 A E G <4 S+ 0 0 110 -3,-1.7 2,-0.5 2,-0.1 -1,-0.3 0.603 82.7 96.6 -93.2 -12.7 -20.0 -36.8 11.5 78 80 A R S << S- 0 0 11 -3,-2.1 2,-2.1 -4,-0.6 -12,-0.0 -0.676 73.4-137.0 -82.7 124.0 -19.8 -33.3 10.3 79 81 A R + 0 0 214 -2,-0.5 2,-0.3 -18,-0.1 78,-0.2 -0.444 66.4 95.8 -87.3 72.5 -16.3 -32.0 10.5 80 82 A L - 0 0 28 -2,-2.1 2,-0.3 76,-0.1 78,-0.2 -0.968 66.0-126.9-145.0 160.6 -16.9 -28.6 11.9 81 83 A G E -g 158 0B 15 76,-3.0 78,-2.4 -2,-0.3 2,-0.3 -0.821 23.3-166.0-103.3 153.6 -16.9 -26.9 15.3 82 84 A Y E -g 159 0B 32 -2,-0.3 2,-0.7 76,-0.2 78,-0.2 -0.918 12.4-160.7-146.6 115.6 -20.0 -24.9 16.4 83 85 A L E -g 160 0B 9 76,-3.2 78,-2.4 -2,-0.3 2,-0.1 -0.881 26.4-138.8 -94.2 113.1 -20.2 -22.5 19.4 84 86 A V > - 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