==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 17-SEP-12 4H4N . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN BA_2335; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR G.MINASOV,Z.WAWRZAK,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,S.GRIMS . 62 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4668.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 54.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 40.3 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 . 1 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 5 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.2 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+4), 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 . 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 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 . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 0 2 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 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 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 K 0 0 150 0, 0.0 3,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 83.7 -10.5 -16.9 18.0 2 4 A K - 0 0 177 1,-0.1 41,-0.1 43,-0.0 0, 0.0 -0.326 360.0 -83.1 -71.9 157.3 -9.5 -13.4 18.8 3 5 A P - 0 0 82 0, 0.0 2,-0.5 0, 0.0 41,-0.2 -0.289 37.0-146.7 -57.2 145.5 -9.1 -10.7 16.1 4 6 A I E -A 43 0A 22 39,-2.2 39,-2.7 -3,-0.1 2,-0.3 -0.993 16.3-144.1-113.9 128.4 -5.7 -10.7 14.2 5 7 A A E -A 42 0A 58 -2,-0.5 2,-0.4 37,-0.2 37,-0.2 -0.745 16.5-172.9 -98.2 144.3 -4.6 -7.2 13.2 6 8 A F E -A 41 0A 12 35,-2.4 35,-2.4 -2,-0.3 2,-0.6 -0.989 20.1-138.8-136.6 138.9 -2.8 -6.4 9.9 7 9 A K E -A 40 0A 156 -2,-0.4 33,-0.2 33,-0.2 -2,-0.0 -0.880 19.2-158.4 -96.8 121.1 -1.2 -3.3 8.6 8 10 A V E -A 39 0A 2 31,-3.3 31,-2.0 -2,-0.6 3,-0.1 -0.873 17.2-128.9-101.0 121.6 -2.0 -2.9 4.9 9 11 A P > - 0 0 44 0, 0.0 3,-0.8 0, 0.0 24,-0.1 -0.167 41.3 -72.8 -65.3 164.0 0.5 -0.6 3.1 10 12 A P T 3 S+ 0 0 45 0, 0.0 26,-0.2 0, 0.0 49,-0.1 -0.221 113.9 3.1 -53.8 140.2 -0.7 2.3 0.9 11 13 A N T 3 S+ 0 0 77 24,-2.2 48,-2.4 22,-0.3 2,-0.3 0.864 111.3 114.7 55.7 43.9 -2.2 1.4 -2.4 12 14 A S E < -BC 33 58B 12 21,-1.6 21,-2.7 -3,-0.8 2,-0.4 -0.902 62.5-132.7-143.4 164.3 -2.0 -2.3 -1.7 13 15 A K E -BC 32 57B 68 44,-2.7 44,-2.7 -2,-0.3 2,-0.5 -0.990 21.6-150.1-116.5 128.9 -3.7 -5.6 -1.1 14 16 A L E -BC 31 56B 6 17,-2.9 17,-2.2 -2,-0.4 2,-0.5 -0.901 8.6-160.1 -99.2 126.8 -2.5 -7.8 1.7 15 17 A K E -BC 30 55B 74 40,-3.0 40,-1.9 -2,-0.5 2,-0.5 -0.949 3.8-163.6-110.2 120.1 -2.9 -11.5 1.2 16 18 A V E -BC 29 54B 0 13,-3.0 13,-2.5 -2,-0.5 2,-0.5 -0.910 2.6-164.2-108.5 122.2 -2.9 -13.6 4.4 17 19 A T E -BC 28 53B 13 36,-2.7 36,-2.1 -2,-0.5 2,-0.4 -0.934 6.7-150.7-109.2 128.8 -2.3 -17.4 4.0 18 20 A F E -BC 27 52B 0 9,-2.7 8,-3.1 -2,-0.5 9,-0.9 -0.842 15.8-164.5 -99.1 134.8 -3.1 -19.8 6.8 19 21 A F E -BC 25 51B 34 32,-3.0 31,-2.9 -2,-0.4 32,-1.5 -0.864 6.9-143.0-121.5 151.9 -1.1 -23.0 7.1 20 22 A G > - 0 0 6 4,-2.2 3,-1.8 -2,-0.3 29,-0.1 -0.261 44.5 -76.3-101.8-169.5 -1.5 -26.2 8.9 21 23 A P T 3 S+ 0 0 92 0, 0.0 28,-0.0 0, 0.0 -2,-0.0 0.768 128.8 49.2 -63.7 -27.5 0.9 -28.6 10.7 22 24 A Y T 3 S- 0 0 197 2,-0.1 3,-0.1 3,-0.0 0, 0.0 0.012 121.2-102.7-100.2 20.7 2.2 -30.1 7.4 23 25 A N S < S+ 0 0 113 -3,-1.8 2,-0.2 1,-0.2 0, 0.0 0.642 74.8 147.9 68.1 15.8 2.8 -26.8 5.8 24 26 A E - 0 0 78 1,-0.1 -4,-2.2 2,-0.0 2,-0.5 -0.554 54.6-109.8 -82.2 147.1 -0.4 -27.1 3.8 25 27 A V E +B 19 0B 80 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.653 32.2 179.7 -76.5 124.0 -2.5 -24.1 2.8 26 28 A I E - 0 0 65 -8,-3.1 2,-0.3 -2,-0.5 -1,-0.2 0.887 61.3 -42.4 -86.4 -55.5 -5.8 -24.1 4.7 27 29 A T E -B 18 0B 56 -9,-0.9 -9,-2.7 20,-0.1 -1,-0.4 -0.962 49.4-125.9-163.7 174.8 -7.2 -20.9 3.2 28 30 A N E -B 17 0B 96 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.969 16.2-174.4-130.6 146.6 -6.4 -17.4 2.2 29 31 A V E -B 16 0B 38 -13,-2.5 -13,-3.0 -2,-0.3 2,-0.3 -0.924 10.0-159.6-131.9 161.9 -7.9 -14.0 3.1 30 32 A S E -B 15 0B 68 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.982 8.9-161.1-147.1 157.2 -7.2 -10.6 1.7 31 33 A I E -B 14 0B 15 -17,-2.2 -17,-2.9 -2,-0.3 2,-0.3 -0.998 12.2-147.6-139.4 129.0 -7.5 -6.9 2.6 32 34 A I E -B 13 0B 103 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.744 9.6-172.3-100.7 148.9 -7.4 -3.9 0.3 33 35 A N E +B 12 0B 5 -21,-2.7 -21,-1.6 -2,-0.3 -22,-0.3 -0.842 8.3 173.8-136.7 99.9 -6.1 -0.4 1.1 34 36 A Q + 0 0 128 -2,-0.3 -1,-0.1 -23,-0.2 -21,-0.1 0.531 52.1 101.7 -79.3 -10.4 -6.8 2.1 -1.6 35 37 A L S S- 0 0 72 2,-0.2 -24,-2.2 -23,-0.1 -23,-0.2 -0.276 78.7-124.4 -77.4 165.2 -5.5 5.0 0.5 36 38 A S S S+ 0 0 95 -26,-0.2 -1,-0.1 -25,-0.1 -2,-0.0 0.424 93.8 63.1 -87.0 0.9 -2.1 6.7 0.3 37 39 A T S S- 0 0 61 -28,-0.1 -26,-0.2 1,-0.0 -2,-0.2 -0.862 97.0 -93.0-122.3 154.8 -1.5 6.0 4.0 38 40 A P - 0 0 67 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.348 42.2-161.1 -67.2 150.7 -1.1 2.6 5.8 39 41 A K E -A 8 0A 85 -31,-2.0 -31,-3.3 -4,-0.1 2,-0.4 -0.999 11.5-138.0-138.8 137.9 -4.3 1.2 7.4 40 42 A C E +A 7 0A 98 -2,-0.4 2,-0.3 -33,-0.2 -33,-0.2 -0.766 24.4 174.7 -95.0 138.0 -4.9 -1.4 10.0 41 43 A Q E -A 6 0A 98 -35,-2.4 -35,-2.4 -2,-0.4 2,-0.3 -0.997 20.2-137.1-138.5 141.8 -7.6 -4.0 9.6 42 44 A T E -A 5 0A 60 -2,-0.3 2,-0.5 -37,-0.2 -37,-0.2 -0.743 3.0-148.4 -99.7 149.4 -8.6 -6.9 11.8 43 45 A I E +A 4 0A 22 -39,-2.7 -39,-2.2 -2,-0.3 3,-0.1 -0.979 20.8 170.9-109.5 122.1 -9.5 -10.4 10.6 44 46 A T + 0 0 81 -2,-0.5 2,-0.5 -41,-0.2 -1,-0.1 0.557 60.6 61.2-110.9 -13.8 -12.0 -12.0 13.0 45 47 A R + 0 0 217 2,-0.0 -1,-0.1 0, 0.0 -43,-0.0 -0.975 63.0 130.6-120.0 126.7 -13.1 -15.1 11.1 46 48 A Y - 0 0 28 -2,-0.5 3,-0.1 -3,-0.1 2,-0.0 -0.960 51.8-101.2-166.9 153.5 -10.5 -17.7 10.2 47 49 A P - 0 0 41 0, 0.0 -20,-0.1 0, 0.0 -21,-0.1 -0.307 55.1 -77.9 -75.7 164.4 -10.0 -21.4 10.5 48 50 A N + 0 0 132 -22,-0.0 2,-0.3 -30,-0.0 -30,-0.0 -0.407 67.7 178.4 -55.5 137.9 -8.0 -23.1 13.1 49 51 A Y - 0 0 85 1,-0.1 -29,-0.2 -3,-0.1 3,-0.1 -0.960 42.6-146.3-147.2 161.0 -4.4 -22.7 11.9 50 52 A T S S- 0 0 92 -31,-2.9 2,-0.3 1,-0.4 -30,-0.2 0.827 83.3 -19.9 -96.3 -47.0 -0.8 -23.4 12.8 51 53 A K E -C 19 0B 85 -32,-1.5 -32,-3.0 2,-0.0 -1,-0.4 -0.960 57.2-143.5-151.2 166.5 0.8 -20.2 11.3 52 54 A Y E -C 18 0B 88 -2,-0.3 2,-0.3 -34,-0.2 -34,-0.2 -0.937 8.1-163.6-126.5 159.7 0.0 -17.5 8.8 53 55 A E E -C 17 0B 93 -36,-2.1 -36,-2.7 -2,-0.3 2,-0.3 -0.941 12.0-141.7-133.4 159.3 2.2 -15.6 6.4 54 56 A T E -C 16 0B 69 -2,-0.3 2,-0.3 -38,-0.2 -38,-0.2 -0.913 11.3-170.5-125.1 152.9 1.5 -12.4 4.5 55 57 A E E -C 15 0B 85 -40,-1.9 -40,-3.0 -2,-0.3 2,-0.4 -0.990 14.0-143.5-135.9 146.3 2.2 -11.0 1.0 56 58 A V E -C 14 0B 72 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.922 18.6-179.3-112.1 133.5 1.7 -7.5 -0.3 57 59 A R E -C 13 0B 116 -44,-2.7 -44,-2.7 -2,-0.4 2,-0.2 -0.910 27.9-107.1-127.1 158.3 0.6 -6.8 -3.8 58 60 A S E -C 12 0B 80 -2,-0.3 -46,-0.3 -46,-0.2 -47,-0.1 -0.585 6.7-153.2 -87.7 144.9 0.0 -3.5 -5.6 59 61 A L + 0 0 71 -48,-2.4 -47,-0.2 -2,-0.2 -1,-0.1 0.150 63.2 114.4 -94.7 15.4 -3.4 -1.9 -6.5 60 62 A S S S- 0 0 89 -49,-0.3 -2,-0.0 1,-0.2 -49,-0.0 -0.313 81.3 -74.1 -74.2 170.1 -1.8 -0.0 -9.4 61 63 A S 0 0 120 1,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 -0.187 360.0 360.0 -63.9 158.9 -2.9 -0.9 -13.0 62 64 A C 0 0 194 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.480 360.0 360.0-100.6 360.0 -1.8 -4.2 -14.6