==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-03 1PU1 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN MTH677; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER . AUTHOR F.J.BLANCO,A.YEE,R.CAMPOS-OLIVAS,D.DEVOS,A.VALENCIA, . 91 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6963.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 70.3 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 . 13 14.3 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 . 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-3), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 . 6 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 41.8 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 1 1 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 0 0 0 0 0 0 1 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 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 1 A M 0 0 178 0, 0.0 88,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 141.1 -10.6 4.7 -18.0 2 2 A S + 0 0 103 2,-0.1 2,-0.1 86,-0.0 87,-0.0 -0.168 360.0 97.7-151.4 37.6 -12.6 7.3 -16.1 3 3 A L - 0 0 47 1,-0.1 2,-0.2 86,-0.1 86,-0.0 -0.054 66.7 -85.6-114.4-153.8 -10.1 9.2 -14.0 4 4 A R - 0 0 191 -2,-0.1 2,-0.6 3,-0.1 -1,-0.1 -0.669 52.3 -72.8-120.2 169.9 -8.0 12.5 -14.0 5 5 A K - 0 0 182 -2,-0.2 2,-0.7 1,-0.1 5,-0.3 -0.636 60.8-119.7 -67.4 113.9 -4.6 13.7 -15.4 6 6 A L + 0 0 66 -2,-0.6 2,-0.2 4,-0.1 -1,-0.1 -0.422 56.8 136.0 -74.5 106.9 -2.2 12.0 -13.1 7 7 A T S > S- 0 0 83 -2,-0.7 4,-2.9 0, 0.0 5,-0.3 -0.635 72.9 -59.7-128.9-171.2 -0.1 14.6 -11.2 8 8 A E H > S+ 0 0 158 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.825 132.7 49.0 -42.9 -45.3 1.1 15.0 -7.5 9 9 A G H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.960 116.6 38.2 -61.5 -56.7 -2.5 15.2 -6.2 10 10 A D H > S+ 0 0 26 -5,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.881 117.8 51.3 -63.4 -42.2 -3.9 12.1 -8.0 11 11 A L H X S+ 0 0 38 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.887 112.5 45.6 -67.9 -40.3 -0.7 10.2 -7.4 12 12 A D H X S+ 0 0 99 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.828 106.3 58.2 -70.3 -35.4 -0.8 11.0 -3.6 13 13 A E H X S+ 0 0 143 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.947 114.1 40.8 -54.9 -42.1 -4.5 10.1 -3.4 14 14 A I H X S+ 0 0 34 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.924 113.7 52.0 -68.2 -44.6 -3.3 6.7 -4.7 15 15 A S H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.917 114.0 45.0 -58.8 -40.6 -0.1 6.8 -2.4 16 16 A S H X S+ 0 0 64 -4,-3.2 4,-3.1 2,-0.2 5,-0.3 0.917 111.8 51.3 -68.6 -43.9 -2.5 7.5 0.6 17 17 A F H X S+ 0 0 81 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.912 113.9 45.3 -60.0 -42.4 -5.0 4.8 -0.6 18 18 A L H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.938 113.2 49.6 -65.6 -46.9 -2.0 2.3 -0.8 19 19 A H H X S+ 0 0 79 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.939 114.3 44.7 -58.3 -49.1 -0.6 3.4 2.6 20 20 A N H X S+ 0 0 80 -4,-3.1 4,-3.3 2,-0.2 5,-0.4 0.918 110.2 56.4 -60.7 -40.3 -4.0 3.1 4.3 21 21 A T H X S+ 0 0 28 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.923 113.3 39.4 -60.9 -45.3 -4.5 -0.3 2.5 22 22 A I H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.929 117.6 49.8 -66.1 -46.4 -1.3 -1.7 4.1 23 23 A S H X S+ 0 0 24 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.954 114.3 43.0 -60.6 -50.5 -1.9 0.0 7.5 24 24 A D H X S+ 0 0 85 -4,-3.3 4,-1.6 2,-0.2 -1,-0.2 0.857 114.7 52.2 -63.8 -35.3 -5.5 -1.3 7.8 25 25 A F H < S+ 0 0 43 -4,-1.8 -2,-0.2 -5,-0.4 -1,-0.2 0.943 110.0 47.5 -65.4 -45.0 -4.3 -4.7 6.5 26 26 A I H >X S+ 0 0 2 -4,-3.1 4,-3.1 1,-0.2 3,-1.9 0.951 111.6 51.3 -60.1 -45.1 -1.5 -4.8 9.2 27 27 A L H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.789 108.6 50.8 -64.1 -27.4 -4.2 -3.7 11.8 28 28 A K T 3< S+ 0 0 154 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.322 118.8 40.6 -86.8 6.6 -6.4 -6.7 10.5 29 29 A R T <4 S- 0 0 117 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.719 129.4 -1.2-113.7 -48.8 -3.3 -9.0 11.0 30 30 A V S < S- 0 0 16 -4,-3.1 -1,-0.4 -5,-0.1 2,-0.1 -0.989 84.3 -88.6-151.6 146.1 -1.6 -7.8 14.4 31 31 A S >> - 0 0 54 -2,-0.3 3,-2.1 1,-0.1 4,-1.5 -0.319 17.5-134.5 -68.4 137.0 -2.5 -5.0 16.9 32 32 A A T 34 S+ 0 0 62 1,-0.3 -1,-0.1 2,-0.2 -5,-0.0 0.674 112.7 54.7 -50.6 -24.4 -1.3 -1.4 16.7 33 33 A K T 34 S+ 0 0 196 1,-0.1 -1,-0.3 28,-0.0 -2,-0.1 0.526 105.6 49.0 -91.9 -9.9 -0.5 -1.9 20.5 34 34 A E T <4 S+ 0 0 92 -3,-2.1 27,-2.8 26,-0.0 2,-0.3 0.574 102.8 83.2 -92.7 -20.3 1.7 -5.1 19.9 35 35 A I E < -A 60 0A 21 -4,-1.5 25,-0.3 25,-0.3 3,-0.1 -0.697 62.5-163.2 -79.5 128.4 3.5 -2.9 17.2 36 36 A V E S- 0 0 100 23,-2.6 2,-0.3 1,-0.3 24,-0.2 0.908 74.0 -40.3 -74.1 -50.6 6.3 -0.6 18.2 37 37 A D E -A 59 0A 95 22,-1.9 22,-2.7 2,-0.0 -1,-0.3 -0.978 48.4-130.3-162.4 174.6 5.8 1.2 14.8 38 38 A I E -A 58 0A 35 -2,-0.3 2,-0.5 20,-0.2 20,-0.2 -0.998 11.1-162.1-132.2 141.9 5.2 0.9 11.1 39 39 A D E +A 57 0A 89 18,-2.3 18,-2.5 -2,-0.3 2,-0.5 -0.971 15.9 174.2-127.4 111.1 7.2 2.6 8.2 40 40 A I E +A 56 0A 31 -2,-0.5 2,-0.5 16,-0.2 16,-0.2 -0.974 8.4 179.3-129.4 118.9 5.5 2.7 4.8 41 41 A T E -A 55 0A 84 14,-2.9 14,-2.7 -2,-0.5 2,-0.5 -0.979 6.2-169.5-119.8 118.0 6.8 4.5 1.7 42 42 A V E -A 54 0A 25 -2,-0.5 2,-0.4 12,-0.2 12,-0.2 -0.942 7.8-170.3-106.6 125.6 4.8 4.4 -1.5 43 43 A L E -A 53 0A 90 10,-3.2 10,-3.0 -2,-0.5 2,-0.3 -0.929 6.7-178.0-117.7 139.0 6.6 5.7 -4.6 44 44 A V E +A 52 0A 44 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.996 9.6 171.5-139.7 134.9 5.0 6.3 -8.0 45 45 A E E -A 51 0A 124 6,-2.7 6,-3.0 -2,-0.3 2,-0.4 -0.939 23.4-150.8-143.9 157.4 6.8 7.5 -11.1 46 46 A Y E +A 50 0A 154 -2,-0.3 2,-0.3 4,-0.2 4,-0.2 -0.906 24.5 156.4-139.9 108.2 6.3 8.1 -14.9 47 47 A T S S- 0 0 88 2,-2.7 2,-2.3 -2,-0.4 3,-0.1 -0.721 88.9 -59.8-131.4 80.6 9.3 7.8 -17.3 48 48 A D S S+ 0 0 154 -2,-0.3 2,-0.2 0, 0.0 -2,-0.0 -0.325 139.0 53.0 62.7 -43.9 7.6 7.0 -20.7 49 49 A E S S- 0 0 113 -2,-2.3 -2,-2.7 1,-0.0 2,-0.4 -0.708 97.3-108.1-106.6 159.7 6.2 3.9 -18.8 50 50 A L E -A 46 0A 74 -2,-0.2 2,-0.4 -4,-0.2 -4,-0.2 -0.743 31.7-170.2 -93.0 129.4 4.4 3.9 -15.4 51 51 A K E -A 45 0A 76 -6,-3.0 -6,-2.7 -2,-0.4 2,-0.4 -0.973 10.5-179.8-121.6 141.4 6.1 2.7 -12.2 52 52 A V E -A 44 0A 44 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.983 8.8-178.0-136.0 124.9 4.5 2.0 -8.7 53 53 A D E -A 43 0A 76 -10,-3.0 -10,-3.2 -2,-0.4 2,-0.5 -0.992 6.7-163.8-133.2 125.5 6.9 0.8 -5.9 54 54 A I E -A 42 0A 14 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.2 -0.957 7.1-178.8-120.9 123.7 5.7 -0.1 -2.4 55 55 A S E +A 41 0A 72 -14,-2.7 -14,-2.9 -2,-0.5 2,-0.4 -0.989 8.4 174.2-122.9 122.2 8.0 -0.4 0.6 56 56 A A E -A 40 0A 16 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.997 11.2-169.6-131.2 139.9 6.6 -1.4 4.1 57 57 A E E -A 39 0A 84 -18,-2.5 -18,-2.3 -2,-0.4 2,-0.5 -0.973 5.4-161.2-129.2 139.2 8.3 -2.2 7.4 58 58 A L E -A 38 0A 21 -2,-0.4 2,-0.7 -20,-0.2 -20,-0.2 -0.981 3.3-167.3-128.1 112.7 6.5 -3.6 10.5 59 59 A Y E -A 37 0A 98 -22,-2.7 -23,-2.6 -2,-0.5 -22,-1.9 -0.896 9.3-171.6-114.0 102.9 8.2 -3.3 13.9 60 60 A L E -A 35 0A 43 -2,-0.7 -25,-0.3 -25,-0.3 -28,-0.0 -0.556 33.9 -89.1 -85.1 152.1 6.7 -5.5 16.6 61 61 A D > - 0 0 75 -27,-2.8 2,-2.4 -2,-0.2 3,-1.6 -0.324 40.6-106.0 -58.3 147.3 7.6 -5.3 20.3 62 62 A E T 3 S+ 0 0 194 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.179 122.1 45.9 -68.5 41.1 10.5 -7.5 21.6 63 63 A L T 3 S+ 0 0 149 -2,-2.4 -1,-0.3 -29,-0.2 -29,-0.0 0.305 89.8 98.3-160.6 -32.9 7.8 -9.8 23.2 64 64 A S < - 0 0 31 -3,-1.6 2,-0.3 -30,-0.3 -4,-0.1 -0.212 52.6-159.9 -65.0 162.1 5.2 -10.1 20.3 65 65 A D + 0 0 162 -3,-0.1 2,-0.2 -2,-0.0 -3,-0.0 -0.933 21.2 155.8-155.6 116.4 5.1 -13.2 18.0 66 66 A A - 0 0 34 -2,-0.3 -36,-0.1 -36,-0.0 -6,-0.0 -0.744 44.3 -57.0-137.7-176.6 3.4 -13.2 14.6 67 67 A D > - 0 0 101 -2,-0.2 2,-2.7 1,-0.1 3,-2.2 -0.413 43.1-117.5 -85.3 143.8 3.4 -15.0 11.2 68 68 A P T 3 S+ 0 0 145 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.213 113.6 29.7 -74.7 51.5 6.6 -15.3 8.9 69 69 A G T 3> S+ 0 0 32 -2,-2.7 4,-2.6 3,-0.0 5,-0.2 0.260 76.8 122.7 178.0 -3.1 5.0 -13.3 6.1 70 70 A I H <> S+ 0 0 8 -3,-2.2 4,-0.5 1,-0.2 -40,-0.1 0.693 83.8 42.5 -57.6 -25.8 2.5 -10.9 7.9 71 71 A V H >> S+ 0 0 37 -4,-0.3 4,-1.8 2,-0.2 3,-0.9 0.914 112.1 52.5 -80.1 -51.3 4.2 -7.8 6.3 72 72 A D H 3> S+ 0 0 118 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.861 104.8 58.1 -54.3 -36.1 4.5 -9.3 2.8 73 73 A E H 3X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.857 105.8 49.6 -63.4 -36.5 0.8 -10.1 3.0 74 74 A A H < S+ 0 0 89 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.932 109.8 48.5 -58.8 -39.2 -8.9 -1.1 -8.3 86 86 A L H >X>S+ 0 0 48 -4,-2.9 4,-3.3 1,-0.2 3,-2.3 0.740 94.5 71.7 -71.5 -22.0 -7.3 -0.4 -11.7 87 87 A D H 3X5S+ 0 0 85 -4,-0.9 4,-0.8 1,-0.3 -1,-0.2 0.888 91.0 62.8 -58.4 -28.4 -9.6 -3.1 -13.3 88 88 A G H <<5S+ 0 0 56 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.497 121.0 19.9 -67.8 -4.6 -12.2 -0.3 -12.7 89 89 A F H <45S+ 0 0 50 -3,-2.3 -2,-0.2 -88,-0.1 -1,-0.2 0.585 138.9 23.4-134.8 -31.6 -10.1 1.9 -15.2 90 90 A R H <5 0 0 118 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.1 0.582 360.0 360.0-117.2 -17.1 -7.9 -0.3 -17.4 91 91 A E << 0 0 228 -4,-0.8 -1,-0.2 -5,-0.7 -2,-0.1 -0.445 360.0 360.0 50.2 360.0 -9.7 -3.8 -17.3