==== 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 BIOSYNTHETIC PROTEIN 12-NOV-10 3PL0 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLIBIUM PETROLEIPHILUM; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 506 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23289.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 321 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 30.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 2 2 0 0 2 0 0 2 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 3 2 5 7 4 3 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 1 0 0 0 0 1 2 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 0 A G 0 0 60 0, 0.0 2,-0.3 0, 0.0 198,-0.1 0.000 360.0 360.0 360.0-169.1 8.4 15.2 81.6 2 1 A X - 0 0 12 196,-0.2 2,-0.5 20,-0.0 196,-0.0 -0.820 360.0-103.4-117.7 156.4 7.4 17.8 79.0 3 2 A H - 0 0 97 -2,-0.3 2,-0.6 21,-0.1 23,-0.1 -0.708 24.7-173.3 -86.7 127.7 7.5 21.7 79.2 4 3 A V - 0 0 30 -2,-0.5 2,-1.8 21,-0.1 3,-0.3 -0.926 8.0-167.7-115.2 98.9 4.3 23.5 79.7 5 4 A D + 0 0 21 -2,-0.6 23,-0.3 1,-0.2 5,-0.2 -0.380 40.4 132.5 -90.6 60.2 5.4 27.2 79.4 6 5 A I S S+ 0 0 58 -2,-1.8 -1,-0.2 1,-0.1 21,-0.1 0.530 72.2 38.1 -95.6 -5.2 2.2 28.6 80.7 7 6 A E S S+ 0 0 175 -3,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.774 111.7 50.8-109.3 -45.5 3.8 31.1 83.2 8 7 A L S S- 0 0 129 22,-0.0 2,-0.3 20,-0.0 20,-0.3 -0.781 85.8-111.3-103.5 143.0 6.9 32.4 81.4 9 8 A P - 0 0 79 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.512 25.7-146.9 -73.4 127.1 7.0 33.9 77.8 10 9 A L - 0 0 17 -2,-0.3 2,-0.2 -5,-0.2 18,-0.0 -0.777 9.9-138.1 -88.1 139.4 8.8 31.9 75.1 11 10 A G > - 0 0 40 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.493 33.9 -98.5 -83.0 167.6 10.6 33.8 72.4 12 11 A R H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 120.7 50.9 -56.0 -47.0 10.3 32.4 68.9 13 12 A A H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 113.2 45.2 -62.3 -44.8 13.7 30.6 68.8 14 13 A T H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.953 111.3 54.4 -61.6 -42.0 12.9 28.8 72.1 15 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.887 108.3 49.9 -58.4 -41.9 9.4 28.0 70.9 16 15 A L H X S+ 0 0 34 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.907 109.4 50.1 -60.4 -43.9 10.9 26.4 67.8 17 16 A Q H X S+ 0 0 141 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.917 111.2 50.3 -63.9 -40.1 13.3 24.3 69.9 18 17 A R H X>S+ 0 0 54 -4,-2.5 4,-3.3 2,-0.2 5,-0.8 0.924 110.1 48.7 -62.7 -45.8 10.3 23.1 72.0 19 18 A L H X5S+ 0 0 1 -4,-2.4 4,-1.0 4,-0.2 -1,-0.2 0.884 114.3 46.4 -65.3 -39.7 8.2 22.2 68.9 20 19 A R H <5S+ 0 0 201 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.921 119.8 39.8 -62.7 -47.4 11.1 20.2 67.5 21 20 A A H <5S+ 0 0 87 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.892 137.8 7.7 -74.0 -43.8 11.9 18.5 70.7 22 21 A Q H <5S- 0 0 27 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.1 0.409 94.0-117.4-123.2 -5.8 8.4 17.7 72.2 23 22 A G S < - 0 0 9 -2,-0.5 4,-2.3 -20,-0.3 5,-0.2 -0.340 34.2-100.3 -65.8 161.0 1.7 33.1 77.2 29 28 A P H > S+ 0 0 23 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.872 127.8 53.3 -53.0 -36.3 -0.3 36.2 76.1 30 29 A A H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.924 106.6 51.0 -65.3 -41.6 2.8 38.2 76.5 31 30 A A H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.894 109.4 52.0 -62.0 -37.7 4.7 35.8 74.2 32 31 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 175,-0.2 6,-0.3 0.916 108.4 50.5 -63.4 -44.8 1.9 36.2 71.6 33 32 A E H X>S+ 0 0 64 -4,-2.2 4,-1.5 2,-0.2 5,-0.6 0.921 113.9 44.6 -54.6 -49.6 2.2 40.0 71.7 34 33 A T H <5S+ 0 0 113 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.932 115.4 48.0 -63.1 -44.9 6.0 39.7 71.2 35 34 A L H <5S+ 0 0 36 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 121.7 33.7 -62.9 -44.2 5.6 37.1 68.4 36 35 A T H <5S- 0 0 18 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.608 96.5-131.4 -90.0 -14.7 3.0 39.0 66.5 37 36 A G T <5S+ 0 0 62 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.678 71.2 116.7 64.2 22.0 4.1 42.6 67.2 38 37 A X < - 0 0 46 -5,-0.6 -1,-0.2 -6,-0.3 -2,-0.2 -0.962 65.7-123.2-121.0 134.0 0.4 43.4 68.2 39 38 A P >> - 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-1.2 -0.382 27.5-109.9 -75.8 153.6 -0.6 44.5 71.6 40 39 A L H 3> S+ 0 0 46 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.811 115.6 65.4 -54.4 -31.7 -3.3 42.5 73.5 41 40 A D H 3> S+ 0 0 129 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.872 100.0 51.9 -59.3 -36.4 -5.8 45.4 73.1 42 41 A A H <4 S+ 0 0 24 -3,-1.4 3,-0.5 1,-0.2 77,-0.3 0.845 108.8 49.9 -69.2 -35.0 -5.7 44.8 69.3 43 42 A F H >< S+ 0 0 0 -4,-1.2 3,-2.2 1,-0.2 4,-0.3 0.879 100.6 65.1 -66.8 -35.4 -6.5 41.1 69.9 44 43 A D H >< S+ 0 0 58 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.760 83.5 76.2 -60.0 -24.0 -9.4 42.1 72.2 45 44 A X T 3< S+ 0 0 114 -4,-0.7 -1,-0.3 -3,-0.5 4,-0.2 0.704 91.1 56.9 -55.9 -22.3 -11.1 43.6 69.1 46 45 A X T X S+ 0 0 0 -3,-2.2 3,-1.4 1,-0.2 4,-0.5 0.680 83.7 85.0 -84.2 -21.9 -11.9 40.1 68.1 47 46 A L G X S+ 0 0 56 -3,-1.6 3,-1.4 -4,-0.3 4,-0.3 0.844 77.6 62.6 -57.3 -38.2 -13.8 39.2 71.3 48 47 A P G > S+ 0 0 81 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.798 92.1 67.4 -62.5 -19.6 -17.2 40.5 70.4 49 48 A Y G X S+ 0 0 42 -3,-1.4 3,-1.9 1,-0.3 -2,-0.2 0.780 85.7 69.3 -70.6 -25.0 -17.5 38.0 67.5 50 49 A W G < S+ 0 0 3 -3,-1.4 3,-0.4 -4,-0.5 -1,-0.3 0.610 91.9 61.1 -66.9 -8.6 -17.6 35.2 69.9 51 50 A E G < S+ 0 0 125 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.490 106.5 47.4 -88.5 -1.4 -21.1 36.5 70.9 52 51 A E S < S+ 0 0 121 -3,-1.9 -1,-0.2 -4,-0.1 2,-0.2 -0.050 74.1 135.6-131.7 29.1 -22.3 36.0 67.3 53 52 A L - 0 0 20 -3,-0.4 16,-0.2 1,-0.1 96,-0.1 -0.524 56.1-111.5 -79.4 153.0 -21.2 32.5 66.3 54 53 A A E -B 68 0A 13 14,-1.8 14,-2.7 -2,-0.2 -1,-0.1 -0.573 32.0-102.7 -86.2 145.2 -23.8 30.3 64.5 55 54 A P E -B 67 0A 76 0, 0.0 2,-0.9 0, 0.0 12,-0.3 -0.435 26.1-138.0 -65.6 139.5 -25.3 27.2 66.1 56 55 A D + 0 0 16 10,-2.8 10,-0.4 1,-0.1 3,-0.3 -0.889 30.2 170.5 -97.0 99.8 -23.8 24.0 64.9 57 56 A L + 0 0 143 -2,-0.9 -1,-0.1 1,-0.2 10,-0.0 0.220 47.6 99.1 -96.2 16.7 -26.8 21.8 64.5 58 57 A H S S+ 0 0 100 2,-0.0 2,-0.2 47,-0.0 -1,-0.2 0.946 75.0 55.3 -75.9 -47.4 -25.1 18.9 62.7 59 58 A L - 0 0 106 -3,-0.3 2,-0.1 1,-0.0 3,-0.1 -0.536 52.8-173.1 -85.8 150.2 -24.6 16.6 65.6 60 59 A K + 0 0 206 -2,-0.2 -3,-0.0 1,-0.1 -1,-0.0 -0.648 42.8 126.9-134.3 74.1 -27.3 15.3 67.9 61 60 A D S S- 0 0 116 -2,-0.1 3,-0.1 3,-0.1 -1,-0.1 0.300 80.0-109.3-115.8 7.2 -25.2 13.5 70.4 62 61 A G S S+ 0 0 53 1,-0.2 95,-2.8 -3,-0.1 3,-0.1 0.594 73.9 139.0 73.0 11.7 -26.6 15.1 73.6 63 62 A G - 0 0 20 93,-0.3 -1,-0.2 1,-0.2 95,-0.2 -0.189 63.7 -66.0 -76.5 174.4 -23.4 17.0 74.0 64 63 A H - 0 0 33 92,-0.2 92,-0.2 93,-0.2 -1,-0.2 -0.297 67.7 -87.5 -61.1 149.4 -23.0 20.6 75.1 65 64 A Y E - C 0 152A 119 87,-1.3 87,-3.1 90,-1.1 2,-0.4 -0.375 45.9-153.1 -65.1 131.8 -24.2 23.2 72.7 66 65 A R E - C 0 151A 78 -10,-0.4 -10,-2.8 85,-0.2 2,-0.4 -0.903 14.0-176.7-115.1 130.2 -21.7 24.2 70.1 67 66 A Y E +BC 55 150A 58 83,-2.7 83,-2.7 -2,-0.4 2,-0.3 -0.970 20.6 143.3-118.4 146.4 -21.5 27.5 68.2 68 67 A R E -BC 54 149A 15 -14,-2.7 -14,-1.8 -2,-0.4 40,-0.3 -0.961 31.8-151.0-164.6 171.1 -19.0 28.2 65.4 69 68 A R - 0 0 60 79,-1.2 2,-0.3 -2,-0.3 41,-0.1 -0.892 18.4-145.2-147.4 170.2 -18.1 29.8 62.2 70 69 A H B +i 109 0B 0 38,-2.5 40,-1.2 -2,-0.3 2,-0.3 -0.991 19.3 164.1-145.6 141.0 -15.5 28.8 59.5 71 70 A G E -D 146 0A 8 75,-1.4 75,-2.9 -2,-0.3 2,-0.3 -0.972 17.4-147.2-160.1 151.6 -13.2 30.6 57.2 72 71 A C E +D 145 0A 5 13,-0.4 13,-1.6 -2,-0.3 2,-0.3 -0.898 14.1 176.0-131.7 155.6 -10.1 29.7 55.0 73 72 A F E -DE 144 84A 6 71,-2.4 71,-2.4 -2,-0.3 2,-0.4 -0.912 22.6-135.1-147.5 162.8 -7.0 31.5 53.9 74 73 A X E -DE 143 83A 29 9,-2.3 9,-2.3 -2,-0.3 2,-0.5 -1.000 17.6-161.5-127.7 130.8 -3.8 31.0 52.0 75 74 A Q E -DE 142 82A 3 67,-2.2 67,-2.3 -2,-0.4 2,-0.4 -0.946 2.4-159.5-110.6 128.4 -0.6 32.4 53.2 76 75 A T E > -DE 141 81A 20 5,-2.9 5,-2.4 -2,-0.5 65,-0.2 -0.920 3.3-159.7-102.5 133.1 2.4 32.8 51.0 77 76 A L E 5 + E 0 80A 26 63,-2.6 3,-0.5 -2,-0.4 -1,-0.1 0.871 69.8 55.0 -83.4 -39.9 5.7 33.0 52.8 78 77 A Q T 5S+ 0 0 178 1,-0.5 -1,-0.3 62,-0.3 2,-0.1 -0.928 122.2 20.2-142.6 111.4 8.1 34.7 50.3 79 78 A P T 5S- 0 0 109 0, 0.0 -1,-0.5 0, 0.0 2,-0.1 0.620 113.7-123.0 -72.2 143.5 7.0 37.3 49.4 80 79 A G E 5 +E 77 0A 56 -3,-0.5 2,-0.3 -2,-0.1 -3,-0.2 -0.323 47.3 149.1 -60.8 124.3 4.8 37.4 52.5 81 80 A Q E < -E 76 0A 116 -5,-2.4 -5,-2.9 -2,-0.1 2,-0.4 -0.967 29.5-159.2-150.7 150.4 1.1 37.6 51.8 82 81 A L E +E 75 0A 37 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.999 20.9 171.3-124.4 134.9 -2.2 36.5 53.3 83 82 A E E -E 74 0A 72 -9,-2.3 -9,-2.3 -2,-0.4 2,-0.1 -0.970 30.9-114.6-140.4 151.2 -5.4 36.3 51.4 84 83 A T E -E 73 0A 84 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.353 26.7-154.1 -71.9 162.6 -8.9 35.0 51.8 85 84 A V - 0 0 45 -13,-1.6 -13,-0.4 -2,-0.1 3,-0.1 -0.939 36.5 -75.1-133.5 161.6 -10.2 32.1 49.7 86 85 A Q - 0 0 180 -2,-0.3 -15,-0.0 1,-0.1 -13,-0.0 -0.203 61.7 -88.4 -59.0 142.4 -13.7 31.3 48.7 87 86 A H + 0 0 56 -16,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.146 60.5 173.2 -50.6 138.3 -16.0 29.8 51.4 88 87 A R - 0 0 40 -3,-0.1 19,-0.3 17,-0.1 2,-0.1 -0.959 30.8 -89.3-150.4 165.3 -15.7 26.0 51.5 89 88 A A - 0 0 8 -2,-0.3 2,-0.5 17,-0.1 17,-0.2 -0.373 32.5-124.5 -79.8 158.0 -16.6 22.9 53.3 90 89 A H E -J 105 0C 38 15,-2.7 15,-2.6 -2,-0.1 2,-0.3 -0.898 25.3-134.6-103.8 127.9 -14.7 21.3 56.1 91 90 A W E +J 104 0C 12 -2,-0.5 13,-0.2 160,-0.4 160,-0.1 -0.682 23.9 177.4 -88.3 135.7 -13.8 17.6 55.5 92 91 A Q E +J 103 0C 78 11,-2.8 11,-1.1 -2,-0.3 12,-0.1 -0.578 9.4 173.6-136.0 66.8 -14.3 15.0 58.3 93 92 A P - 0 0 14 0, 0.0 3,-0.1 0, 0.0 9,-0.1 -0.366 44.1-116.4 -68.1 158.8 -13.3 11.5 56.9 94 93 A T S S+ 0 0 147 1,-0.2 2,-0.3 2,-0.0 8,-0.0 0.660 98.8 24.1 -73.2 -14.1 -13.3 8.8 59.5 95 94 A T S > S- 0 0 59 1,-0.0 3,-1.8 74,-0.0 -1,-0.2 -0.994 70.5-130.5-147.2 146.9 -9.6 8.4 58.9 96 95 A Y T 3 S+ 0 0 100 -2,-0.3 -1,-0.0 1,-0.3 -2,-0.0 0.504 107.0 72.4 -72.9 -0.4 -6.8 10.5 57.6 97 96 A N T 3 S+ 0 0 143 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.426 74.9 119.2 -81.2 -3.5 -6.0 7.5 55.4 98 97 A A < + 0 0 27 -3,-1.8 3,-0.1 1,-0.1 0, 0.0 -0.411 38.7 178.4 -70.2 138.1 -9.1 8.5 53.4 99 98 A L S S+ 0 0 141 1,-0.4 155,-2.1 -2,-0.1 2,-0.3 0.641 70.3 2.5-103.8 -28.6 -8.7 9.4 49.7 100 99 A H S S+ 0 0 144 153,-0.2 -1,-0.4 0, 0.0 2,-0.1 -0.952 103.6 31.1-157.8 160.7 -12.3 10.0 48.9 101 100 A G + 0 0 32 -2,-0.3 -3,-0.0 153,-0.2 153,-0.0 -0.459 59.0 120.4 82.0-153.6 -15.8 10.0 50.5 102 101 A G S S- 0 0 57 -2,-0.1 2,-0.4 -11,-0.1 -1,-0.1 -0.123 71.2 -50.4 77.5 178.4 -16.3 11.0 54.1 103 102 A X E -J 92 0C 121 -11,-1.1 -11,-2.8 2,-0.0 2,-0.5 -0.706 42.3-160.7 -97.8 136.4 -18.5 13.9 55.4 104 103 A E E -J 91 0C 100 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.962 12.6-160.9-113.7 130.4 -18.2 17.4 54.1 105 104 A R E -J 90 0C 17 -15,-2.6 -15,-2.7 -2,-0.5 2,-0.5 -0.953 8.9-153.7-119.9 125.5 -19.7 20.1 56.4 106 105 A W + 0 0 150 -2,-0.5 2,-0.2 -17,-0.2 -17,-0.1 -0.855 20.8 179.0 -93.5 127.2 -20.7 23.6 55.5 107 106 A F - 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