==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 02-JUN-11 3S9X . COMPND 2 MOLECULE: ASCH DOMAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE TMA 21; . AUTHOR B.NOCEK,X.XU,H.CUI,R.JEDRZEJCZAK,A.EDWARDS,A.SAVCHENKO,B.C.M . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 16.4 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 0.6 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 . 4 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 1 0 1 0 0 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 1 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 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 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 -4 A L 0 0 183 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -26.7 10.1 28.3 14.3 2 -3 A Y + 0 0 141 1,-0.2 30,-0.2 2,-0.1 3,-0.1 0.665 360.0 23.1 -92.9 -14.3 12.9 25.7 14.8 3 -2 A F > + 0 0 22 1,-0.1 3,-1.7 28,-0.1 -1,-0.2 -0.052 66.6 136.0-146.4 39.2 15.7 27.7 16.2 4 -1 A Q T 3 S+ 0 0 143 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.812 78.6 51.4 -60.0 -31.8 14.5 30.9 17.8 5 0 A G T 3 S+ 0 0 80 -3,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.467 79.4 122.1 -86.7 1.6 16.7 30.5 20.8 6 1 A X S < S- 0 0 27 -3,-1.7 5,-0.1 1,-0.1 -3,-0.1 -0.272 79.7 -89.5 -65.6 146.7 20.0 30.0 18.9 7 2 A E > - 0 0 88 1,-0.1 4,-2.8 27,-0.1 3,-0.5 -0.217 43.7-117.1 -56.0 136.0 22.8 32.5 19.7 8 3 A E H > S+ 0 0 139 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.796 108.3 52.7 -56.7 -42.8 22.4 35.4 17.3 9 4 A R H > S+ 0 0 121 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.939 116.5 41.0 -59.9 -44.0 25.6 35.2 15.3 10 5 A S H > S+ 0 0 2 -3,-0.5 4,-2.8 2,-0.2 -2,-0.2 0.892 112.5 55.3 -71.1 -36.9 24.9 31.6 14.5 11 6 A Q H X S+ 0 0 48 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.936 108.8 48.5 -58.1 -47.0 21.2 32.2 13.9 12 7 A L H X S+ 0 0 104 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.891 111.9 48.6 -58.7 -44.6 22.0 34.8 11.3 13 8 A F H X S+ 0 0 29 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.919 111.4 49.4 -63.8 -46.1 24.6 32.6 9.6 14 9 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.911 108.3 53.7 -60.3 -40.3 22.1 29.7 9.5 15 10 A E H X S+ 0 0 95 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.861 104.9 55.8 -64.1 -33.4 19.5 32.0 8.0 16 11 A Q H X S+ 0 0 98 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.931 109.0 46.2 -62.0 -46.3 22.0 32.9 5.3 17 12 A Y H >< S+ 0 0 12 -4,-1.9 3,-1.1 2,-0.2 4,-0.5 0.942 112.3 49.9 -59.5 -52.7 22.4 29.3 4.4 18 13 A L H >< S+ 0 0 20 -4,-2.6 3,-0.8 1,-0.3 8,-0.2 0.889 111.3 49.2 -57.4 -33.6 18.6 28.6 4.4 19 14 A S H 3< S+ 0 0 100 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.673 102.7 62.4 -78.6 -12.7 18.0 31.6 2.2 20 15 A S T << S+ 0 0 73 -3,-1.1 2,-0.3 -4,-0.9 -1,-0.2 0.514 101.4 60.5 -93.0 -0.5 20.7 30.5 -0.3 21 16 A V S < S- 0 0 41 -3,-0.8 0, 0.0 -4,-0.5 0, 0.0 -0.768 97.6 -86.2-121.1 164.8 18.8 27.3 -1.1 22 17 A S > - 0 0 65 -2,-0.3 4,-2.8 1,-0.1 3,-0.4 -0.247 38.4-109.6 -68.5 161.2 15.4 26.7 -2.6 23 18 A R H > S+ 0 0 171 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 119.1 58.7 -59.4 -35.1 12.2 26.6 -0.5 24 19 A E H > S+ 0 0 159 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.902 111.7 39.7 -61.5 -43.9 12.0 22.9 -1.1 25 20 A V H >4 S+ 0 0 45 -3,-0.4 3,-0.9 2,-0.2 4,-0.5 0.929 115.9 48.3 -73.5 -45.3 15.4 22.3 0.3 26 21 A S H >< S+ 0 0 23 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.867 106.2 56.7 -67.1 -36.0 15.2 24.7 3.2 27 22 A E H 3< S+ 0 0 125 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.681 94.2 68.6 -74.2 -12.4 11.9 23.5 4.5 28 23 A K T << S+ 0 0 108 -3,-0.9 2,-0.3 -4,-0.5 -1,-0.3 0.718 78.9 96.3 -75.4 -23.9 13.0 19.9 4.8 29 24 A Y < + 0 0 9 -3,-1.2 49,-0.1 -4,-0.5 3,-0.1 -0.567 35.3 155.7 -74.0 132.3 15.3 20.8 7.7 30 25 A T + 0 0 79 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.383 54.9 65.2-130.7 -2.8 13.9 20.2 11.2 31 26 A S + 0 0 28 46,-0.3 48,-2.4 44,-0.1 2,-0.3 -0.996 58.1 164.2-138.3 121.4 17.0 19.7 13.5 32 27 A F E +a 79 0A 32 -2,-0.4 2,-0.3 -30,-0.2 48,-0.2 -0.981 7.7 164.4-142.0 146.4 19.5 22.4 14.2 33 28 A S E -a 80 0A 38 46,-1.9 48,-2.8 -2,-0.3 2,-0.3 -0.959 21.4-146.1-152.8 171.7 22.3 23.3 16.6 34 29 A A E +a 81 0A 28 -2,-0.3 2,-0.3 46,-0.2 48,-0.2 -0.978 40.5 123.9-142.4 122.8 25.3 25.7 17.0 35 30 A D E -a 82 0A 104 46,-2.3 48,-1.9 -2,-0.3 2,-0.2 -0.980 50.4-109.8-166.5 163.7 28.5 24.6 18.8 36 31 A Y - 0 0 85 -2,-0.3 2,-0.3 46,-0.2 48,-0.1 -0.627 35.2-116.4 -92.7 162.5 32.2 24.2 18.7 37 32 A F S S+ 0 0 25 46,-0.4 3,-0.2 7,-0.3 11,-0.2 -0.678 72.7 16.8 -96.0 153.8 34.0 20.9 18.5 38 33 A C S S- 0 0 50 -2,-0.3 -2,-0.1 1,-0.2 3,-0.0 0.000 81.7 -94.7 79.0-178.8 36.4 19.7 21.3 39 34 A A S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.220 96.4 56.1-122.4 12.5 36.8 20.9 24.9 40 35 A D S > S- 0 0 63 -3,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.973 80.2-117.5-144.2 156.7 39.7 23.3 24.5 41 36 A E H > S+ 0 0 95 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 0.887 109.0 52.3 -60.1 -47.0 40.4 26.4 22.4 42 37 A Y H > S+ 0 0 158 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.944 117.1 37.7 -59.3 -51.8 43.3 25.2 20.4 43 38 A N H > S+ 0 0 40 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.880 113.2 57.6 -71.3 -34.1 41.5 22.0 19.2 44 39 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -7,-0.3 0.925 112.7 40.9 -58.4 -43.1 38.1 23.8 18.8 45 40 A N H X S+ 0 0 57 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.899 115.4 48.8 -76.4 -43.5 39.7 26.2 16.4 46 41 A V H X S+ 0 0 55 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.940 113.8 48.3 -57.9 -45.9 41.8 23.7 14.5 47 42 A C H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.901 106.7 54.5 -67.2 -37.7 38.8 21.4 14.2 48 43 A A H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.916 113.2 44.8 -58.6 -42.1 36.5 24.1 12.9 49 44 A D H X S+ 0 0 70 -4,-1.8 4,-2.1 2,-0.2 6,-0.2 0.883 110.9 51.8 -70.5 -38.3 39.1 24.8 10.2 50 45 A L H <>S+ 0 0 18 -4,-2.6 5,-2.3 2,-0.2 6,-1.5 0.887 112.7 46.8 -60.4 -41.6 39.6 21.1 9.4 51 46 A I H ><5S+ 0 0 1 -4,-2.6 3,-1.9 4,-0.2 -2,-0.2 0.964 110.2 52.8 -66.0 -47.6 35.9 20.8 9.0 52 47 A L H 3<5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.882 112.2 45.9 -45.1 -50.9 35.7 24.0 6.8 53 48 A R T 3<5S- 0 0 142 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.363 116.7-110.5 -82.2 -0.3 38.4 22.6 4.5 54 49 A G T < 5S+ 0 0 31 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.590 89.6 112.0 80.2 9.5 36.9 19.1 4.2 55 50 A E S -B 149 0A 1 -2,-0.3 3,-1.3 87,-0.2 4,-0.4 -0.479 29.2-143.9 -68.3 128.5 30.1 7.9 24.0 63 58 A E T >> S+ 0 0 37 85,-2.4 4,-2.1 -2,-0.3 3,-2.1 0.830 93.2 79.5 -62.0 -25.0 26.9 6.1 23.4 64 59 A Y H 3>>S+ 0 0 71 84,-0.5 4,-2.5 1,-0.3 5,-1.6 0.818 82.9 64.1 -50.5 -35.5 26.4 6.2 27.2 65 60 A W H <45S+ 0 0 53 -3,-1.3 6,-2.8 3,-0.2 -1,-0.3 0.819 111.6 34.4 -60.6 -32.6 25.2 9.8 26.8 66 61 A Y H <>5S+ 0 0 33 -3,-2.1 4,-0.9 -4,-0.4 -2,-0.2 0.925 124.3 38.6 -91.4 -52.1 22.2 8.7 24.8 67 62 A S H <5S+ 0 0 53 -4,-2.1 -3,-0.2 2,-0.1 -2,-0.2 0.849 133.0 20.5 -71.2 -31.9 21.3 5.4 26.4 68 63 A Q T <5S+ 0 0 126 -4,-2.5 -3,-0.2 -5,-0.3 -1,-0.1 0.775 130.0 39.7-111.4 -28.2 21.9 6.2 30.0 69 64 A K T 4 - 0 0 97 -3,-0.1 3,-2.0 -2,-0.0 20,-0.3 -0.952 17.0-106.5-122.6 138.6 20.0 12.4 13.2 76 71 A V T 3 S+ 0 0 91 -2,-0.4 20,-0.2 1,-0.3 3,-0.1 -0.347 108.9 30.1 -49.6 134.2 20.7 12.3 9.6 77 72 A G T 3 S+ 0 0 22 18,-3.0 -46,-0.3 1,-0.3 -1,-0.3 0.264 84.3 142.1 90.2 -9.6 19.9 15.7 8.0 78 73 A H < - 0 0 24 -3,-2.0 17,-2.4 -48,-0.1 2,-0.5 -0.427 41.9-143.2 -56.0 141.4 20.7 17.7 11.2 79 74 A L E -aC 32 94A 2 -48,-2.4 -46,-1.9 15,-0.2 2,-0.5 -0.921 15.3-171.2-110.6 130.1 22.4 21.0 10.6 80 75 A Q E -aC 33 93A 26 13,-2.4 13,-2.6 -2,-0.5 2,-0.8 -0.983 20.7-140.8-118.0 126.9 25.1 22.3 12.9 81 76 A V E -aC 34 92A 1 -48,-2.8 -46,-2.3 -2,-0.5 2,-0.7 -0.772 25.5-145.4 -77.0 114.8 26.5 25.7 12.8 82 77 A V E -aC 35 91A 0 9,-2.7 8,-3.1 -2,-0.8 9,-1.6 -0.775 23.7-177.0 -87.0 112.2 30.2 25.0 13.5 83 78 A T E - C 0 89A 8 -48,-1.9 -46,-0.4 -2,-0.7 2,-0.1 -0.659 24.9-115.3-101.7 165.3 31.7 27.8 15.5 84 79 A N > - 0 0 31 4,-1.9 3,-2.0 -2,-0.2 -1,-0.1 -0.210 52.0 -79.8 -79.8-177.1 35.1 28.5 16.8 85 80 A W T 3 S+ 0 0 81 1,-0.3 -49,-0.1 -44,-0.3 -44,-0.1 0.818 132.5 51.3 -53.3 -37.9 35.9 28.6 20.5 86 81 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 -45,-0.1 -45,-0.0 0.216 120.7-104.2 -89.2 11.9 34.5 32.1 20.7 87 82 A G < + 0 0 14 -3,-2.0 -2,-0.1 1,-0.3 -77,-0.1 0.504 69.5 146.6 81.8 2.5 31.3 31.4 19.0 88 83 A K - 0 0 126 1,-0.1 -4,-1.9 -79,-0.1 -1,-0.3 -0.654 55.1-115.7 -68.7 124.3 32.1 32.9 15.6 89 84 A P E +C 83 0A 17 0, 0.0 -6,-0.3 0, 0.0 3,-0.1 -0.471 40.6 169.2 -62.7 132.2 30.4 30.9 12.9 90 85 A I E - 0 0 39 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.724 60.5 -27.0-110.4 -44.3 32.9 29.1 10.6 91 86 A C E -C 82 0A 0 -9,-1.6 -9,-2.7 -11,-0.0 -1,-0.4 -0.950 54.6-115.8-159.4 173.6 30.8 26.7 8.5 92 87 A I E -CD 81 158A 0 66,-2.4 65,-2.7 -2,-0.3 66,-1.3 -0.997 27.0-162.5-122.2 134.1 27.6 24.7 8.6 93 88 A I E -CD 80 156A 2 -13,-2.6 -13,-2.4 -2,-0.4 2,-0.4 -0.817 8.1-151.2-114.9 151.9 27.6 20.9 8.5 94 89 A E E -CD 79 155A 24 61,-2.4 61,-1.9 -2,-0.3 2,-0.3 -0.988 25.3-121.2-122.2 125.9 24.8 18.4 7.6 95 90 A I E + D 0 154A 6 -17,-2.4 -18,-3.0 -2,-0.4 59,-0.3 -0.552 30.0 177.9 -65.2 131.3 24.8 15.0 9.2 96 91 A T E + 0 0 64 57,-2.7 2,-0.3 1,-0.3 58,-0.2 0.675 61.5 6.7-113.2 -19.6 24.9 12.2 6.5 97 92 A S E - D 0 153A 45 56,-1.3 56,-2.1 -22,-0.1 2,-0.3 -0.987 51.6-163.2-162.7 153.3 25.1 9.0 8.6 98 93 A V E + D 0 152A 42 -2,-0.3 2,-0.3 54,-0.2 54,-0.2 -0.997 25.5 143.4-139.2 131.1 24.9 7.7 12.2 99 94 A S E - D 0 151A 57 52,-2.1 52,-3.1 -2,-0.3 2,-0.3 -0.921 35.7-114.4-154.7 179.3 26.1 4.3 13.4 100 95 A K E + D 0 150A 105 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.957 29.2 158.8-125.3 147.6 27.7 2.6 16.4 101 96 A C E - D 0 149A 27 48,-1.9 48,-3.0 -2,-0.3 2,-0.2 -0.968 42.2 -95.9-157.6 155.5 31.0 0.8 17.1 102 97 A Q E > - D 0 148A 76 -2,-0.3 3,-2.2 46,-0.3 4,-0.5 -0.519 32.5-120.8 -67.8 146.6 33.1 -0.1 20.1 103 98 A Y G > S+ 0 0 5 44,-2.8 3,-1.6 1,-0.3 43,-0.2 0.908 114.8 52.5 -48.7 -45.4 36.0 2.1 20.9 104 99 A N G 3 S+ 0 0 65 41,-2.2 -1,-0.3 1,-0.3 42,-0.1 0.447 106.5 54.4 -77.3 -1.6 38.4 -0.8 20.5 105 100 A Q G < S+ 0 0 136 -3,-2.2 -1,-0.3 40,-0.2 -2,-0.2 0.331 73.4 132.1-110.1 2.4 37.1 -1.5 17.0 106 101 A V < - 0 0 11 -3,-1.6 2,-0.1 -4,-0.5 19,-0.0 -0.329 51.8-132.7 -57.2 130.8 37.5 1.9 15.5 107 102 A S > - 0 0 58 1,-0.1 4,-2.2 -2,-0.0 5,-0.2 -0.426 14.9-116.7 -85.5 162.1 39.1 1.6 12.1 108 103 A E H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 117.3 55.5 -60.0 -40.9 42.0 3.4 10.5 109 104 A D H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.890 107.2 48.0 -64.0 -38.6 39.6 4.7 7.9 110 105 A F H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.946 110.4 51.5 -65.8 -43.8 37.4 6.3 10.6 111 106 A A H X S+ 0 0 3 -4,-2.2 4,-1.1 1,-0.2 5,-0.5 0.924 110.3 50.1 -56.9 -43.3 40.3 7.9 12.3 112 107 A A H < S+ 0 0 35 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.902 108.0 52.8 -64.7 -38.0 41.4 9.3 8.9 113 108 A S H < S+ 0 0 23 -4,-2.1 -56,-3.2 1,-0.3 -55,-0.6 0.845 102.2 57.9 -63.2 -37.0 37.8 10.7 8.3 114 109 A E H < S- 0 0 5 -4,-2.1 -1,-0.3 -58,-0.2 -2,-0.2 0.803 96.9-159.7 -65.2 -27.6 38.0 12.4 11.7 115 110 A G < + 0 0 2 -4,-1.1 2,-0.2 -3,-0.4 -3,-0.1 0.528 32.9 140.7 72.4 13.8 41.0 14.1 10.1 116 111 A E > - 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