==== 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 14-AUG-05 2D16 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PH1918; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR N.K.LOKANATH,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMIC . 646 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36059.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 71.5 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 . 184 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 4 0.6 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 . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 165 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 4 0 0 0 0 8 4 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 0 20 4 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 4 0 4 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 97 0, 0.0 123,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 140.2 6.1 -8.7 135.6 2 2 A V + 0 0 102 121,-0.1 2,-0.5 122,-0.1 121,-0.2 -0.716 360.0 175.3-148.2 90.2 5.1 -5.5 133.7 3 3 A R E -A 122 0A 178 119,-2.3 119,-2.6 -2,-0.2 2,-0.4 -0.875 17.0-152.8-100.3 125.8 7.1 -2.4 134.6 4 4 A I E +A 121 0A 106 -2,-0.5 2,-0.3 117,-0.2 117,-0.2 -0.825 16.6 175.9-102.6 136.0 6.3 0.6 132.5 5 5 A E E -A 120 0A 66 115,-2.9 115,-2.8 -2,-0.4 2,-0.5 -0.953 25.0-129.6-136.2 156.0 8.8 3.4 131.8 6 6 A V E -A 119 0A 80 -2,-0.3 2,-0.5 113,-0.2 113,-0.2 -0.916 18.6-161.6-109.2 128.2 8.8 6.6 129.7 7 7 A I E -A 118 0A 4 111,-2.5 111,-2.7 -2,-0.5 2,-0.5 -0.941 10.0-144.8-113.6 123.7 11.7 7.3 127.3 8 8 A D E -A 117 0A 111 -2,-0.5 2,-0.3 109,-0.2 109,-0.2 -0.762 23.1-125.3 -86.6 124.3 12.3 10.8 126.0 9 9 A I - 0 0 15 107,-2.8 2,-0.7 -2,-0.5 107,-0.4 -0.562 20.1-140.3 -70.8 127.1 13.6 10.7 122.5 10 10 A E + 0 0 90 -2,-0.3 63,-0.2 59,-0.2 62,-0.1 -0.821 43.6 136.1 -92.5 117.5 16.8 12.6 122.2 11 11 A K - 0 0 44 -2,-0.7 3,-0.1 102,-0.0 6,-0.1 -0.980 51.5-105.5-159.7 146.8 17.0 14.6 119.0 12 12 A P > - 0 0 47 0, 0.0 3,-1.8 0, 0.0 0, 0.0 -0.318 53.9 -79.6 -73.1 160.5 18.1 18.1 117.9 13 13 A E T 3 S+ 0 0 201 1,-0.2 3,-0.1 -2,-0.0 101,-0.1 -0.286 117.3 21.9 -57.9 139.1 15.5 20.8 117.0 14 14 A G T 3 S+ 0 0 41 99,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.219 91.6 124.0 88.1 -16.8 14.1 20.4 113.5 15 15 A V < - 0 0 9 -3,-1.8 2,-0.3 98,-0.1 -1,-0.3 -0.641 55.1-137.9 -82.8 134.2 14.9 16.7 113.3 16 16 A E E -C 87 0B 11 71,-2.6 71,-2.4 -2,-0.3 2,-0.4 -0.708 14.1-155.7 -92.0 140.2 12.0 14.3 112.5 17 17 A V E -CD 86 112B 0 95,-2.9 95,-1.8 -2,-0.3 2,-0.4 -0.930 10.2-175.3-118.6 141.5 11.7 11.0 114.4 18 18 A I E -CD 85 111B 0 67,-2.2 67,-2.7 -2,-0.4 2,-0.4 -0.996 4.9-168.4-134.4 126.4 9.8 7.9 113.2 19 19 A I E +CD 84 110B 0 91,-1.9 90,-2.1 -2,-0.4 91,-1.2 -0.959 17.7 161.0-117.7 134.8 9.4 4.8 115.4 20 20 A G E -CD 83 108B 0 63,-2.5 63,-2.5 -2,-0.4 2,-0.5 -0.885 37.4-117.6-145.8 175.9 8.2 1.5 114.0 21 21 A Q E +CD 82 107B 44 86,-2.8 85,-2.6 -2,-0.3 86,-1.9 -0.981 44.1 152.2-120.1 125.0 7.9 -2.2 114.5 22 22 A G E - D 0 105B 5 59,-3.3 2,-0.3 -2,-0.5 83,-0.2 -0.373 31.1-120.7-129.4-151.6 9.6 -4.5 111.9 23 23 A N S S+ 0 0 91 81,-1.1 5,-0.3 1,-0.1 28,-0.0 -0.978 76.5 33.6-158.1 157.0 11.2 -7.9 111.3 24 24 A F >> - 0 0 109 -2,-0.3 4,-2.9 3,-0.1 3,-1.3 0.944 64.7-168.9 57.6 55.0 14.5 -9.4 110.1 25 25 A S H 3> S+ 0 0 3 1,-0.3 4,-2.5 25,-0.2 5,-0.3 0.795 76.1 56.3 -43.6 -48.0 16.6 -6.6 111.6 26 26 A I H 34 S+ 0 0 84 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.844 119.3 32.8 -61.3 -31.6 20.0 -7.5 110.0 27 27 A F H <> S+ 0 0 80 -3,-1.3 4,-2.6 2,-0.1 3,-0.5 0.909 119.7 50.3 -85.6 -50.5 18.4 -7.2 106.5 28 28 A T H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.3 5,-0.5 0.819 98.2 63.4 -60.4 -38.5 15.9 -4.5 107.2 29 29 A V H X S+ 0 0 6 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.921 116.4 32.9 -55.6 -41.7 18.1 -1.9 108.8 30 30 A D H > S+ 0 0 61 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.909 120.1 49.4 -79.2 -46.2 20.1 -1.7 105.6 31 31 A D H X S+ 0 0 41 -4,-2.6 4,-1.9 1,-0.2 -3,-0.2 0.872 111.5 47.9 -64.5 -38.4 17.2 -2.3 103.1 32 32 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.856 109.2 55.4 -71.0 -33.0 14.9 0.3 104.7 33 33 A A H X S+ 0 0 0 -4,-0.8 4,-1.5 -5,-0.5 -2,-0.2 0.938 107.7 48.5 -63.1 -44.9 17.8 2.8 104.7 34 34 A R H X S+ 0 0 111 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.902 110.0 52.9 -61.1 -39.9 18.2 2.3 101.0 35 35 A A H >X S+ 0 0 23 -4,-1.9 3,-1.2 1,-0.2 4,-0.6 0.902 103.6 56.2 -62.9 -41.5 14.4 2.7 100.6 36 36 A L H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 4,-0.9 0.855 98.3 62.3 -59.9 -35.0 14.5 6.1 102.5 37 37 A L H 3< S+ 0 0 13 -4,-1.5 -1,-0.3 1,-0.3 6,-0.2 0.785 101.0 53.8 -61.9 -25.4 17.1 7.4 100.0 38 38 A T H << S+ 0 0 37 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.626 96.7 68.3 -84.5 -12.7 14.5 7.0 97.2 39 39 A A H << S+ 0 0 3 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.925 113.7 4.6 -73.5 -47.3 11.9 9.1 99.0 40 40 A V S >< S- 0 0 5 -4,-0.9 3,-1.9 162,-0.1 -1,-0.3 -0.975 76.5-117.4-144.2 126.0 13.4 12.5 98.9 41 41 A P T 3 S+ 0 0 51 0, 0.0 -3,-0.1 0, 0.0 279,-0.0 -0.390 101.8 18.5 -62.1 134.9 16.7 13.7 97.2 42 42 A G T 3 S+ 0 0 50 1,-0.3 46,-0.1 -5,-0.2 48,-0.1 0.436 83.4 158.8 86.6 -1.7 19.1 15.0 99.8 43 43 A I < - 0 0 2 -3,-1.9 2,-0.4 -6,-0.2 -1,-0.3 -0.305 24.6-159.0 -57.4 135.9 17.5 13.3 102.7 44 44 A K E +E 88 0B 78 44,-2.3 44,-2.4 46,-0.1 2,-0.3 -0.982 26.6 143.5-119.9 131.1 19.9 12.9 105.6 45 45 A F E -E 87 0B 0 -2,-0.4 17,-2.0 42,-0.2 18,-0.7 -0.984 41.7-138.6-161.6 170.7 19.2 10.3 108.3 46 46 A G E -EF 86 61B 0 40,-2.4 40,-2.5 -2,-0.3 2,-0.4 -0.985 20.4-170.8-134.3 139.7 20.1 7.7 110.8 47 47 A I E -EF 85 60B 0 13,-2.6 13,-2.0 -2,-0.4 2,-0.3 -1.000 4.0-179.3-136.4 135.3 18.2 4.4 111.3 48 48 A A E -EF 84 59B 0 36,-2.3 36,-3.0 -2,-0.4 2,-0.4 -0.978 2.5-173.4-132.3 146.2 18.7 1.8 114.0 49 49 A M E -EF 83 58B 0 9,-2.5 9,-3.1 -2,-0.3 2,-0.4 -0.997 21.8-123.5-144.6 136.6 16.9 -1.4 114.6 50 50 A N E - F 0 57B 6 32,-2.3 31,-2.2 -2,-0.4 2,-0.6 -0.644 14.2-158.7 -86.9 131.8 17.0 -3.9 117.5 51 51 A E E > - F 0 56B 41 5,-3.1 5,-1.6 -2,-0.4 4,-0.4 -0.939 4.7-159.7-109.1 117.5 17.8 -7.6 116.9 52 52 A A T > 5S+ 0 0 62 -2,-0.6 3,-1.1 3,-0.2 -1,-0.2 0.945 79.2 58.8 -62.1 -58.2 16.6 -9.8 119.7 53 53 A K T 3 5S+ 0 0 208 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.895 122.1 24.8 -42.4 -59.7 18.7 -13.0 119.5 54 54 A P T 3 5S- 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.463 104.0-128.4 -88.0 1.1 22.1 -11.3 119.9 55 55 A Q T < 5 + 0 0 174 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.917 58.9 145.9 52.3 48.7 20.5 -8.4 121.8 56 56 A L E < -F 51 0B 84 -5,-1.6 -5,-3.1 -7,-0.0 2,-0.7 -0.922 50.6-136.9-120.3 142.7 22.2 -5.9 119.5 57 57 A T E -F 50 0B 34 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.871 26.3-159.6 -96.7 115.4 21.1 -2.5 118.1 58 58 A R E +F 49 0B 91 -9,-3.1 -9,-2.5 -2,-0.7 2,-0.3 -0.626 15.5 174.6 -92.1 154.9 22.0 -2.4 114.4 59 59 A Y E +F 48 0B 131 -11,-0.3 2,-0.3 -2,-0.2 -11,-0.2 -0.996 16.1 146.3-159.1 161.7 22.3 0.9 112.6 60 60 A T E +F 47 0B 0 -13,-2.0 -13,-2.6 -2,-0.3 2,-0.3 -0.896 12.9 134.1-172.3-170.1 23.3 2.7 109.3 61 61 A G E -F 46 0B 0 263,-0.3 263,-2.6 -2,-0.3 -15,-0.2 -0.947 63.5 -83.1 142.1-157.7 22.2 5.8 107.3 62 62 A N S S+ 0 0 30 -17,-2.0 -16,-0.1 -2,-0.3 -1,-0.1 0.024 100.6 70.2-136.5 27.4 24.1 8.6 105.6 63 63 A D > - 0 0 26 -18,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.892 63.3-151.1-149.2 113.2 24.8 11.0 108.5 64 64 A P H > S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.899 96.5 45.6 -48.6 -52.7 27.2 10.3 111.4 65 65 A E H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 114.8 44.9 -61.4 -50.3 25.3 12.4 114.0 66 66 A L H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 -20,-0.3 0.811 112.4 54.3 -66.3 -28.2 21.8 11.1 113.2 67 67 A E H X S+ 0 0 13 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 108.7 47.2 -69.6 -45.6 23.2 7.6 113.1 68 68 A A H X S+ 0 0 64 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.917 116.0 45.6 -61.1 -43.0 24.7 7.9 116.6 69 69 A L H X S+ 0 0 19 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.870 110.4 52.3 -69.0 -38.5 21.5 9.4 117.9 70 70 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.932 112.9 46.0 -63.4 -44.0 19.2 6.8 116.2 71 71 A A H X S+ 0 0 19 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.890 111.2 51.7 -65.3 -41.2 21.3 4.0 117.8 72 72 A K H X S+ 0 0 118 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.917 114.2 43.2 -62.8 -44.0 21.3 5.6 121.2 73 73 A N H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 114.4 51.2 -67.9 -42.9 17.5 6.0 121.2 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.904 109.7 47.4 -62.6 -44.4 17.0 2.5 119.8 75 75 A V H < S+ 0 0 92 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.831 111.3 52.6 -69.1 -29.3 19.1 0.7 122.3 76 76 A K H < S+ 0 0 120 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.933 110.9 45.9 -69.8 -45.0 17.4 2.6 125.2 77 77 A I H < S+ 0 0 0 -4,-2.3 2,-1.8 1,-0.2 -2,-0.2 0.917 86.6 177.5 -61.5 -41.6 14.0 1.6 123.9 78 78 A G < + 0 0 29 -4,-2.6 -1,-0.2 -5,-0.2 49,-0.1 -0.053 19.7 142.6 68.5 -37.3 15.5 -1.9 123.6 79 79 A A > - 0 0 2 -2,-1.8 3,-1.5 1,-0.1 -29,-0.3 -0.033 59.1-102.9 -41.3 129.5 12.4 -3.7 122.4 80 80 A G T 3 S+ 0 0 29 47,-0.5 -29,-0.2 1,-0.2 -1,-0.1 -0.253 98.8 8.8 -60.1 141.8 13.1 -6.3 119.8 81 81 A H T 3 S+ 0 0 57 -31,-2.2 -59,-3.3 1,-0.2 2,-0.3 0.512 92.2 134.9 66.0 9.4 12.4 -5.6 116.1 82 82 A V E < -C 21 0B 0 -3,-1.5 -32,-2.3 -61,-0.2 2,-0.4 -0.664 38.8-159.3 -84.5 141.7 11.7 -1.9 116.9 83 83 A F E -CE 20 49B 0 -63,-2.5 -63,-2.5 -2,-0.3 2,-0.4 -0.950 6.2-157.6-125.0 147.0 13.3 0.6 114.5 84 84 A V E -CE 19 48B 0 -36,-3.0 -36,-2.3 -2,-0.4 2,-0.4 -0.987 5.5-169.4-125.5 130.4 14.1 4.2 115.0 85 85 A I E -CE 18 47B 0 -67,-2.7 -67,-2.2 -2,-0.4 2,-0.5 -0.968 4.9-176.0-121.1 132.6 14.6 6.8 112.2 86 86 A L E +CE 17 46B 0 -40,-2.5 -40,-2.4 -2,-0.4 2,-0.3 -0.997 22.6 164.1-125.7 122.7 16.0 10.3 112.7 87 87 A M E -CE 16 45B 0 -71,-2.4 -71,-2.6 -2,-0.5 2,-0.3 -0.921 23.7-170.6-140.8 165.1 16.0 12.5 109.6 88 88 A K E + E 0 44B 80 -44,-2.4 -44,-2.3 -2,-0.3 -73,-0.1 -0.924 70.0 46.2-145.7 165.4 16.3 16.0 108.2 89 89 A N S S+ 0 0 104 -2,-0.3 2,-0.3 -46,-0.2 -1,-0.1 0.734 110.4 63.2 68.0 23.3 15.9 17.5 104.7 90 90 A A S S- 0 0 3 -46,-0.1 -74,-0.2 -3,-0.1 -1,-0.1 -0.941 73.6-136.4-168.6 153.7 12.6 15.5 104.5 91 91 A Y >> - 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