==== 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 30-MAY-04 1WK2 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR Y.AGARI,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL GENOMICS/PRO . 84 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 47 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 29.8 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 . 1 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 . 9 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 212 0, 0.0 2,-0.4 0, 0.0 50,-0.0 0.000 360.0 360.0 360.0-177.6 17.5 47.2 -0.8 2 2 A E + 0 0 105 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.534 360.0 24.0 68.4-123.4 15.0 46.3 -3.5 3 3 A R S S- 0 0 139 -2,-0.4 2,-0.2 1,-0.1 46,-0.0 -0.455 88.2-117.3 -72.8 147.6 16.0 43.1 -5.3 4 4 A P - 0 0 23 0, 0.0 34,-0.1 0, 0.0 3,-0.1 -0.589 16.5-163.4 -86.9 150.3 18.2 40.7 -3.3 5 5 A K S S+ 0 0 187 32,-0.4 2,-0.4 -2,-0.2 33,-0.1 0.550 81.6 50.4 -99.8 -14.8 21.7 39.8 -4.4 6 6 A L - 0 0 79 31,-0.4 33,-2.5 2,-0.0 2,-0.3 -0.964 68.5-162.0-128.4 142.1 21.6 36.8 -2.0 7 7 A G E -a 39 0A 38 -2,-0.4 2,-0.5 31,-0.2 33,-0.2 -0.898 10.9-140.8-125.8 152.7 19.1 34.0 -1.5 8 8 A L E -a 40 0A 27 31,-2.9 33,-2.4 -2,-0.3 2,-0.4 -0.941 21.1-127.4-112.0 127.2 18.4 31.5 1.3 9 9 A I E +a 41 0A 73 -2,-0.5 2,-0.4 31,-0.2 33,-0.2 -0.581 35.0 175.9 -73.8 129.7 17.4 28.0 0.5 10 10 A V - 0 0 3 31,-2.5 2,-0.1 -2,-0.4 33,-0.1 -0.997 23.0-132.6-138.6 130.1 14.1 27.2 2.4 11 11 A R > - 0 0 156 -2,-0.4 4,-1.7 31,-0.1 3,-0.4 -0.430 42.7 -68.7 -81.1 155.4 12.2 23.9 2.1 12 12 A E T 4 S+ 0 0 82 1,-0.3 -1,-0.1 2,-0.2 31,-0.0 -0.485 111.8 30.5 -77.0 155.8 8.4 23.8 1.6 13 13 A P T > S+ 0 0 73 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 -0.996 124.0 51.7 -78.1 -11.7 6.0 24.5 3.2 14 14 A Y H > S+ 0 0 116 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.869 104.4 55.5 -50.8 -50.2 8.1 27.2 4.9 15 15 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.962 113.9 41.8 -49.7 -56.4 9.4 28.9 1.7 16 16 A S H > S+ 0 0 30 1,-0.2 4,-1.7 2,-0.2 6,-0.3 0.926 112.7 53.1 -57.3 -48.7 5.8 29.4 0.5 17 17 A L H <>S+ 0 0 48 -4,-2.7 5,-2.2 1,-0.2 6,-1.7 0.855 111.2 49.4 -57.6 -34.9 4.6 30.5 3.9 18 18 A I H ><5S+ 0 0 1 -4,-2.8 3,-2.0 4,-0.2 -2,-0.2 0.987 112.5 42.7 -68.8 -57.9 7.4 33.0 4.0 19 19 A V H 3<5S+ 0 0 1 -4,-2.4 49,-0.3 1,-0.3 -1,-0.2 0.622 111.4 56.4 -65.5 -13.6 6.8 34.6 0.5 20 20 A D T 3<5S- 0 0 81 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.373 117.4-113.7 -97.3 5.4 3.0 34.6 1.0 21 21 A G T < 5S+ 0 0 45 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.599 88.1 112.4 75.9 15.2 3.5 36.6 4.2 22 22 A R S + C 0 45A 11 3,-2.4 3,-1.4 -2,-0.5 -31,-0.1 -0.999 65.6 1.9-141.6 139.6 13.1 26.5 -2.8 43 43 A G T 3 S- 0 0 57 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.887 130.8 -56.6 52.4 40.7 13.2 23.5 -5.2 44 44 A G T 3 S+ 0 0 36 1,-0.2 31,-1.2 30,-0.1 2,-0.4 0.708 116.6 107.7 66.3 21.9 15.8 25.2 -7.3 45 45 A R E < -CD 42 74A 106 -3,-1.4 -3,-2.4 29,-0.2 2,-1.0 -0.990 68.2-133.8-136.0 142.0 13.6 28.3 -7.9 46 46 A L E +CD 41 73A 32 27,-3.5 27,-2.5 -2,-0.4 -5,-0.2 -0.825 33.5 170.0 -90.3 104.5 13.7 31.9 -6.7 47 47 A I E - 0 0 12 -7,-1.9 22,-2.4 -2,-1.0 2,-0.3 0.645 54.6 -49.1 -94.8 -16.7 10.0 32.3 -5.7 48 48 A G E -CD 40 68A 0 -8,-0.8 -8,-2.3 20,-0.3 2,-0.3 -0.947 55.1-106.4 176.9-155.6 10.1 35.6 -3.9 49 49 A Q E -CD 39 67A 5 18,-2.2 18,-2.0 -2,-0.3 2,-0.3 -0.976 12.5-162.8-157.7 169.2 11.8 37.6 -1.2 50 50 A A E -C 38 0A 0 -12,-1.6 -12,-2.8 -2,-0.3 2,-0.6 -0.948 30.1-108.4-150.1 163.3 11.7 39.1 2.2 51 51 A D E -CD 37 64A 25 13,-2.8 13,-2.0 -2,-0.3 2,-1.0 -0.899 20.8-146.0-103.8 120.0 13.5 41.7 4.2 52 52 A L E +CD 36 63A 0 -16,-2.5 -16,-2.8 -2,-0.6 11,-0.2 -0.766 31.7 164.1 -82.0 105.9 15.8 40.4 6.9 53 53 A V E - 0 0 63 9,-2.3 2,-0.3 -2,-1.0 -1,-0.2 0.717 55.9 -18.8-100.3 -24.6 15.3 43.2 9.4 54 54 A G E D 0 62A 20 8,-0.8 8,-2.3 1,-0.1 -1,-0.3 -0.962 360.0 360.0-168.1 174.2 16.7 41.8 12.7 55 55 A V 0 0 61 -2,-0.3 5,-0.3 6,-0.2 -1,-0.1 0.406 360.0 360.0-137.2 360.0 17.6 38.5 14.4 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 86 A P 0 0 138 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.6 19.6 25.9 20.6 58 87 A L - 0 0 113 2,-0.0 2,-0.3 -31,-0.0 -29,-0.2 -0.935 360.0-151.3-137.5 157.8 17.8 28.0 17.9 59 88 A Y E -B 28 0A 108 -31,-3.4 -31,-2.9 -2,-0.3 2,-0.6 -0.918 14.1-135.5-126.1 153.5 17.6 31.5 16.5 60 89 A A E -B 27 0A 17 -2,-0.3 2,-0.4 -5,-0.3 -33,-0.2 -0.866 9.6-154.7-117.3 104.6 14.8 33.4 14.8 61 90 A W E -B 26 0A 24 -35,-3.2 -35,-2.7 -2,-0.6 2,-0.6 -0.615 21.7-135.5 -74.3 127.1 15.5 35.5 11.7 62 91 A V E -BD 25 54A 33 -8,-2.3 -9,-2.3 -2,-0.4 -8,-0.8 -0.767 20.4-165.1 -92.9 117.7 12.9 38.2 11.4 63 92 A L E + D 0 52A 8 -39,-2.9 2,-0.3 -2,-0.6 -11,-0.2 -0.797 8.3 178.8-107.3 140.0 11.3 38.9 8.0 64 93 A E E + D 0 51A 103 -13,-2.0 -13,-2.8 -2,-0.4 -43,-0.0 -0.930 60.5 18.5-133.4 157.6 9.3 41.8 6.8 65 94 A N E S+ 0 0 103 -2,-0.3 -1,-0.1 -15,-0.2 2,-0.1 0.829 76.3 177.7 55.3 39.0 7.6 42.9 3.5 66 95 A A E + 0 0 28 -3,-0.1 2,-0.3 -16,-0.1 -16,-0.2 -0.454 4.0 167.2 -76.3 147.8 7.7 39.4 2.0 67 96 A F E - D 0 49A 75 -18,-2.0 -18,-2.2 -2,-0.1 2,-0.4 -0.987 32.4-123.0-156.7 151.7 6.1 38.7 -1.4 68 97 A R E - D 0 48A 106 -2,-0.3 -20,-0.3 -49,-0.3 2,-0.1 -0.829 32.4-118.2 -97.7 131.9 6.1 36.0 -4.0 69 98 A Y E - 0 0 21 -22,-2.4 -1,-0.0 -2,-0.4 -50,-0.0 -0.425 22.7-120.3 -68.5 145.0 7.2 36.9 -7.6 70 99 A E E S+ 0 0 193 1,-0.2 -1,-0.1 -2,-0.1 -22,-0.0 0.814 103.3 26.9 -53.1 -34.2 4.5 36.5 -10.2 71 100 A K E S- 0 0 149 -25,-0.1 2,-0.4 -24,-0.0 -1,-0.2 -0.999 93.3-113.9-134.2 130.7 6.7 34.0 -11.9 72 101 A P E - 0 0 70 0, 0.0 -25,-0.2 0, 0.0 2,-0.2 -0.485 29.3-138.8 -68.2 121.3 9.4 31.9 -10.2 73 102 A L E - D 0 46A 93 -27,-2.5 -27,-3.5 -2,-0.4 2,-0.2 -0.492 20.5-122.8 -77.6 146.5 12.9 32.8 -11.3 74 103 A H E - D 0 45A 118 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.539 25.5-106.8 -95.0 163.1 15.3 29.9 -12.0 75 104 A V 0 0 63 -31,-1.2 0, 0.0 -2,-0.2 0, 0.0 -0.985 360.0 360.0-137.0 143.9 18.7 29.2 -10.5 76 105 A P 0 0 170 0, 0.0 -32,-0.0 0, 0.0 0, 0.0 -0.529 360.0 360.0 -65.2 360.0 21.7 29.2 -11.2 77 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 78 112 A X 0 0 202 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.7 27.2 29.7 -3.1 79 113 A F - 0 0 185 0, 0.0 2,-0.6 0, 0.0 0, 0.0 -0.908 360.0-123.5-117.6 144.8 28.8 32.2 -0.7 80 114 A V - 0 0 119 -2,-0.4 2,-0.5 1,-0.0 0, 0.0 -0.774 27.9-124.4 -87.5 121.8 29.8 31.6 2.9 81 115 A D + 0 0 86 -2,-0.6 3,-0.2 1,-0.2 -1,-0.0 -0.506 34.5 172.5 -66.9 115.3 28.1 34.1 5.3 82 116 A L > + 0 0 117 -2,-0.5 3,-2.1 1,-0.1 -1,-0.2 0.309 46.7 107.2-108.3 8.7 31.0 35.7 7.2 83 117 A S T 3 S+ 0 0 35 1,-0.3 -1,-0.1 -52,-0.0 -51,-0.1 0.720 83.1 47.4 -60.3 -20.4 28.8 38.3 8.9 84 118 A E T 3 S+ 0 0 45 -3,-0.2 -1,-0.3 -53,-0.1 2,-0.1 0.287 84.1 123.4-103.1 9.1 29.3 36.4 12.2 85 119 A V < 0 0 96 -3,-2.1 -3,-0.1 1,-0.1 0, 0.0 -0.436 360.0 360.0 -71.1 145.6 33.1 36.0 11.9 86 120 A R 0 0 276 -2,-0.1 -1,-0.1 0, 0.0 -4,-0.0 0.894 360.0 360.0-101.8 360.0 35.2 37.4 14.8