==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-MAY-05 1ZKP . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN BA1088; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS STR.; . AUTHOR J.S.BRUNZELLE,G.MINASOV,L.SHUVALOVA,F.R.COLLART,W.F.ANDERSON . 998 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 710 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 145 14.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 82 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 4 10 2 1 3 0 3 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 4 8 7 5 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 . 4 0 8 0 11 5 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 . 0 4 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 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 -6 A L 0 0 167 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.0 -29.2 12.6 2.2 2 -5 A Y + 0 0 226 2,-0.1 2,-0.5 151,-0.0 0, 0.0 -0.167 360.0 138.6-120.8 36.8 -25.5 12.0 1.4 3 -4 A F - 0 0 78 128,-0.1 2,-0.1 1,-0.0 149,-0.0 -0.738 51.9-123.6 -84.4 129.5 -24.3 15.5 0.4 4 -3 A Q - 0 0 141 -2,-0.5 3,-0.4 149,-0.1 2,-0.2 -0.407 14.5-131.6 -76.9 145.5 -20.9 16.1 1.9 5 -2 A S S S+ 0 0 35 1,-0.2 148,-0.1 -2,-0.1 -1,-0.1 -0.464 87.6 31.2 -81.5 163.4 -20.0 19.1 4.2 6 -1 A N S S+ 0 0 115 146,-0.3 -1,-0.2 -2,-0.2 147,-0.1 0.791 92.5 100.3 58.4 32.0 -17.0 21.2 3.6 7 0 A A + 0 0 44 -3,-0.4 27,-0.6 145,-0.2 2,-0.4 0.003 49.9 110.1-135.1 27.3 -17.2 20.7 -0.2 8 1 A X E -A 33 0A 2 25,-0.2 243,-2.9 144,-0.1 2,-0.4 -0.891 45.1-166.1-109.0 136.7 -18.9 23.9 -1.3 9 2 A K E -AB 32 250A 44 23,-2.5 23,-2.8 -2,-0.4 2,-0.5 -0.973 0.3-166.3-121.5 134.7 -17.1 26.6 -3.2 10 3 A X E -AB 31 249A 0 239,-2.9 239,-2.8 -2,-0.4 2,-0.5 -0.991 4.2-171.5-122.8 123.8 -18.5 30.2 -3.7 11 4 A T E -AB 30 248A 6 19,-2.6 19,-3.0 -2,-0.5 2,-0.6 -0.971 23.3-128.8-115.5 127.9 -17.0 32.5 -6.3 12 5 A V E +A 29 0A 0 235,-2.5 234,-2.7 -2,-0.5 17,-0.2 -0.626 30.9 170.6 -72.7 117.7 -17.9 36.2 -6.5 13 6 A V E + 0 0 0 15,-2.3 2,-0.3 -2,-0.6 16,-0.2 0.859 69.9 1.1 -93.0 -48.8 -18.9 36.9 -10.1 14 7 A G E +A 28 0A 0 14,-2.4 14,-1.8 10,-0.1 -1,-0.4 -0.982 55.5 166.3-141.2 153.3 -20.3 40.4 -9.6 15 8 A F + 0 0 6 10,-1.8 204,-1.7 -2,-0.3 203,-0.9 0.414 35.1 117.9-147.9 -5.9 -20.6 42.6 -6.5 16 9 A W B -hi 26 219B 29 9,-2.1 11,-0.7 202,-0.3 2,-0.3 -0.517 60.3-123.5 -75.0 140.1 -21.4 46.3 -7.4 17 10 A G S S- 0 0 1 202,-2.3 2,-2.3 -2,-0.2 -1,-0.1 -0.637 80.4 -13.5 -79.2 137.6 -24.6 47.8 -6.2 18 11 A G S S+ 0 0 6 -2,-0.3 562,-0.2 202,-0.0 561,-0.2 -0.225 133.2 10.7 78.1 -55.0 -27.0 49.2 -8.8 19 12 A F S S- 0 0 7 -2,-2.3 2,-0.2 560,-0.1 6,-0.1 -0.971 84.2-100.0-153.1 156.2 -24.7 49.3 -11.8 20 13 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.529 24.8-130.5 -83.0 147.5 -21.2 47.9 -12.6 21 14 A E > - 0 0 60 4,-0.2 3,-1.9 -2,-0.2 -5,-0.1 -0.336 62.0 -48.3 -75.9 174.2 -17.9 49.7 -12.5 22 15 A A T 3 S- 0 0 45 1,-0.3 526,-0.2 528,-0.2 -1,-0.2 -0.173 124.5 -6.1 -53.1 128.3 -15.6 49.4 -15.5 23 16 A G T 3 S+ 0 0 22 524,-1.9 -1,-0.3 1,-0.2 2,-0.1 0.603 118.3 89.8 67.1 13.3 -15.0 45.8 -16.7 24 17 A E < - 0 0 52 -3,-1.9 2,-0.3 523,-0.1 -1,-0.2 -0.367 63.8-118.9-126.2-159.1 -17.0 44.3 -13.8 25 18 A A - 0 0 0 -2,-0.1 -9,-2.1 -12,-0.1 -10,-1.8 -0.953 11.0-119.6-146.1 160.1 -20.5 43.2 -12.8 26 19 A T B S-h 16 0B 0 18,-2.4 17,-0.2 -2,-0.3 -9,-0.2 -0.181 75.7 -19.6 -87.7-169.7 -23.4 43.7 -10.4 27 20 A S S S+ 0 0 0 -11,-0.7 16,-2.4 43,-0.4 -12,-0.2 0.029 77.6 129.1 -47.1 122.5 -24.8 40.9 -8.1 28 21 A G E -A 14 0A 0 -14,-1.8 -14,-2.4 14,-0.2 -15,-2.3 -0.765 26.3-175.9-171.4 128.1 -23.9 37.4 -9.1 29 22 A Y E -AC 12 40A 1 11,-2.1 11,-3.1 12,-0.4 2,-0.6 -0.995 16.1-144.8-134.2 125.5 -22.4 34.6 -7.0 30 23 A L E -AC 11 39A 2 -19,-3.0 -19,-2.6 -2,-0.4 2,-0.5 -0.824 13.9-168.6 -97.7 120.7 -21.4 31.1 -8.2 31 24 A F E -AC 10 38A 0 7,-3.2 7,-3.0 -2,-0.6 2,-0.4 -0.914 6.8-174.9-106.4 131.6 -22.0 28.2 -5.8 32 25 A E E +AC 9 37A 39 -23,-2.8 -23,-2.5 -2,-0.5 2,-0.3 -0.983 12.1 166.4-130.7 136.9 -20.5 24.8 -6.6 33 26 A H E > S-AC 8 36A 9 3,-1.6 3,-2.4 -2,-0.4 -25,-0.2 -0.927 75.2 -22.9-150.3 121.6 -20.8 21.5 -4.9 34 27 A D T 3 S- 0 0 153 -27,-0.6 3,-0.1 -2,-0.3 -26,-0.1 0.858 128.4 -45.8 40.3 50.9 -19.7 18.1 -6.4 35 28 A G T 3 S+ 0 0 52 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.411 107.7 126.0 81.3 -2.4 -20.0 19.5 -10.0 36 29 A F E < -C 33 0A 47 -3,-2.4 -3,-1.6 24,-0.0 2,-0.6 -0.818 46.2-156.5 -91.3 125.7 -23.4 21.2 -9.5 37 30 A R E -C 32 0A 58 -2,-0.5 23,-2.6 21,-0.4 24,-1.5 -0.911 12.3-178.6-110.4 110.9 -23.2 24.9 -10.5 38 31 A L E -Cd 31 61A 0 -7,-3.0 -7,-3.2 -2,-0.6 2,-0.6 -0.947 13.8-152.8-109.8 122.5 -25.8 27.2 -9.0 39 32 A L E -Cd 30 62A 2 22,-2.6 24,-2.6 -2,-0.5 2,-0.7 -0.861 5.0-156.6 -96.3 121.7 -25.8 30.9 -9.9 40 33 A V E -Cd 29 63A 0 -11,-3.1 -11,-2.1 -2,-0.6 24,-0.2 -0.889 67.4 -13.1-100.4 112.3 -27.3 33.2 -7.2 41 34 A D - 0 0 0 22,-2.8 -12,-0.4 -2,-0.7 31,-0.2 0.309 62.4-140.9 66.1 156.7 -28.5 36.4 -8.9 42 35 A C + 0 0 1 29,-2.9 32,-2.0 -14,-0.1 33,-0.4 -0.441 34.2 162.4-152.5 64.2 -27.7 37.3 -12.5 43 36 A G > - 0 0 0 -16,-2.4 3,-1.5 27,-0.3 4,-0.4 0.208 47.8 -44.0 -80.5-164.8 -27.1 41.1 -12.8 44 37 A S T 3 S+ 0 0 0 1,-0.3 -18,-2.4 2,-0.1 -1,-0.2 -0.468 126.1 7.3 -68.8 130.8 -25.4 43.3 -15.3 45 38 A G T 3> S+ 0 0 1 -20,-0.2 4,-2.3 -2,-0.2 -1,-0.3 0.390 95.9 116.5 79.6 -0.2 -22.1 42.0 -16.7 46 39 A V H <> S+ 0 0 0 -3,-1.5 4,-3.2 2,-0.2 5,-0.2 0.896 70.8 50.4 -71.3 -40.9 -22.6 38.7 -14.9 47 40 A L H > S+ 0 0 2 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.927 113.5 47.5 -64.8 -40.8 -22.8 36.5 -17.9 48 41 A A H 4 S+ 0 0 3 1,-0.2 474,-1.8 2,-0.2 3,-0.4 0.931 117.6 41.7 -60.3 -46.9 -19.5 38.1 -19.3 49 42 A Q H >< S+ 0 0 8 -4,-2.3 3,-2.1 1,-0.2 4,-0.3 0.873 105.5 64.1 -70.3 -36.1 -17.8 37.7 -15.9 50 43 A L H >X S+ 0 0 1 -4,-3.2 3,-2.3 1,-0.3 4,-2.2 0.823 90.7 66.8 -57.3 -33.7 -19.2 34.2 -15.2 51 44 A Q T 3< S+ 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 470,-0.2 0.510 83.1 72.7 -76.6 -1.6 -17.3 32.8 -18.2 52 45 A K T <4 S+ 0 0 118 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.690 116.0 22.9 -69.7 -20.7 -14.0 33.5 -16.5 53 46 A Y T <4 S- 0 0 76 -3,-2.3 2,-0.3 1,-0.4 -2,-0.2 0.761 132.3 -0.8-116.4 -46.9 -15.0 30.5 -14.3 54 47 A I < - 0 0 9 -4,-2.2 -1,-0.4 -17,-0.0 5,-0.0 -0.926 69.4-105.1-145.2 165.7 -17.5 28.2 -16.1 55 48 A T >> - 0 0 67 -2,-0.3 4,-0.6 -3,-0.1 3,-0.5 -0.505 35.0-110.1 -88.4 162.6 -19.3 28.1 -19.5 56 49 A P G >4 S+ 0 0 9 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.827 121.2 57.6 -60.1 -30.0 -23.0 28.9 -19.9 57 50 A S G 34 S+ 0 0 41 1,-0.2 25,-0.0 24,-0.1 24,-0.0 0.826 97.8 62.8 -65.8 -31.8 -23.6 25.1 -20.6 58 51 A D G <4 S+ 0 0 56 -3,-0.5 -21,-0.4 -22,-0.0 2,-0.2 0.669 77.3 104.5 -68.5 -20.9 -22.0 24.4 -17.2 59 52 A I << - 0 0 2 -3,-0.8 -21,-0.1 -4,-0.6 3,-0.1 -0.492 44.6-179.1 -67.1 130.0 -24.8 26.2 -15.3 60 53 A D - 0 0 61 -23,-2.6 2,-0.3 1,-0.4 -22,-0.2 0.729 63.8 -7.7 -99.3 -30.4 -27.2 23.8 -13.6 61 54 A A E -d 38 0A 0 -24,-1.5 -22,-2.6 34,-0.1 -1,-0.4 -0.976 53.8-147.9-161.7 156.9 -29.6 26.2 -12.0 62 55 A V E -de 39 97A 0 34,-1.8 36,-3.3 -2,-0.3 2,-0.4 -0.978 10.7-167.9-126.5 142.3 -30.2 29.9 -11.2 63 56 A V E -de 40 98A 0 -24,-2.6 -22,-2.8 -2,-0.3 2,-0.4 -0.999 9.0-154.3-132.1 138.0 -31.9 31.4 -8.2 64 57 A L - 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0 0 40 -5,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 -0.272 65.4 -67.3 134.4 137.3 -25.4 20.2 -29.0 91 84 A Q - 0 0 152 -2,-0.1 -5,-0.1 -4,-0.1 -8,-0.1 -0.166 47.2-154.6 -54.5 131.0 -28.7 20.2 -27.2 92 85 A L - 0 0 29 -10,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.740 23.2-102.7 -98.7 154.6 -28.6 21.3 -23.5 93 86 A P - 0 0 99 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.389 52.5 -82.2 -69.8 156.6 -31.1 20.3 -20.8 94 87 A E - 0 0 94 1,-0.1 22,-0.2 22,-0.1 21,-0.2 -0.386 46.0-131.2 -60.0 130.9 -33.7 22.9 -19.8 95 88 A L E - f 0 116A 1 20,-2.5 22,-2.4 -3,-0.1 2,-0.3 -0.802 14.9-141.6 -89.8 116.0 -32.2 25.4 -17.3 96 89 A P E - f 0 117A 24 0, 0.0 -34,-1.8 0, 0.0 2,-0.5 -0.627 14.1-167.2 -77.3 135.3 -34.4 25.9 -14.2 97 90 A I E -ef 62 118A 0 20,-2.8 22,-2.5 -2,-0.3 2,-0.5 -0.978 10.3-150.4-124.5 113.8 -34.5 29.5 -13.0 98 91 A Y E +ef 63 119A 33 -36,-3.3 -34,-2.5 -2,-0.5 2,-0.3 -0.730 29.4 149.1 -91.7 125.9 -36.0 29.8 -9.5 99 92 A G E - f 0 120A 0 20,-1.8 22,-1.8 -2,-0.5 2,-0.2 -0.943 44.9 -94.9-146.8 170.1 -37.7 33.1 -8.6 100 93 A H - 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