==== 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 TRANSFERASE 31-AUG-09 2WR8 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN PH0463; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR S.A.MCMAHON,H.DENG,D.O'HAGAN,K.A.JOHNSON,J.H.NAISMITH . 259 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12826.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 30 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 16.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.3 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 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 1 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 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 -2 A G 0 0 30 0, 0.0 143,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 18.2 4.4 -30.9 -19.3 2 -1 A S + 0 0 106 141,-0.4 2,-0.3 1,-0.1 142,-0.1 0.906 360.0 27.0 -82.6 -45.4 8.0 -31.0 -20.5 3 0 A H S S- 0 0 84 140,-0.2 30,-0.6 60,-0.1 2,-0.1 -0.793 88.0-101.2-116.6 159.4 9.6 -30.7 -17.1 4 1 A M E -a 33 0A 68 -2,-0.3 61,-2.5 28,-0.1 2,-0.5 -0.470 21.4-151.9 -66.6 150.4 8.5 -31.7 -13.6 5 2 A I E -ab 34 65A 0 28,-2.4 30,-2.8 59,-0.2 2,-0.2 -0.989 18.3-158.1-124.1 117.8 7.2 -29.2 -11.1 6 3 A T E -ab 35 66A 4 59,-2.5 61,-2.8 -2,-0.5 2,-0.4 -0.643 1.6-147.4 -95.4 152.0 7.9 -30.3 -7.5 7 4 A L E +ab 36 67A 0 28,-1.9 30,-2.9 -2,-0.2 31,-1.1 -0.985 19.7 169.4-127.0 126.2 6.0 -29.2 -4.4 8 5 A T E +ab 38 68A 1 59,-2.0 61,-2.7 -2,-0.4 2,-0.3 -0.978 20.3 144.4-132.3 123.2 7.4 -28.8 -0.9 9 6 A T E - b 0 69A 0 29,-2.5 32,-1.6 -2,-0.4 61,-0.2 -0.899 52.8-135.5-147.0 171.5 5.3 -27.0 1.8 10 7 A D S S+ 0 0 30 59,-1.3 29,-0.1 -2,-0.3 60,-0.1 0.014 72.3 114.1-109.4 20.4 4.4 -27.0 5.5 11 8 A F S S- 0 0 40 58,-0.3 6,-0.2 1,-0.1 29,-0.1 0.716 72.7-130.8 -66.2 -26.3 0.7 -26.6 4.6 12 9 A G - 0 0 28 27,-2.7 6,-0.3 -3,-0.1 -1,-0.1 -0.068 10.4-100.8 91.3 166.8 -0.2 -30.0 6.1 13 10 A L S S+ 0 0 127 1,-0.1 2,-1.0 4,-0.1 -1,-0.1 0.588 93.5 85.7-101.2 -15.1 -2.3 -32.8 4.6 14 11 A K S S+ 0 0 211 -3,-0.1 3,-0.1 2,-0.0 -1,-0.1 -0.761 87.9 17.6 -94.1 102.0 -5.6 -32.3 6.3 15 12 A G S S- 0 0 58 -2,-1.0 4,-0.3 1,-0.1 3,-0.1 -0.868 97.2 -62.8 138.0-169.4 -7.7 -29.8 4.4 16 13 A P S > S+ 0 0 75 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.427 92.5 98.1 -92.8 -3.9 -8.0 -28.1 1.0 17 14 A Y H > S+ 0 0 119 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 87.5 40.5 -63.0 -51.7 -4.7 -26.2 0.8 18 15 A V H > S+ 0 0 18 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.933 116.9 49.2 -60.6 -45.2 -2.7 -28.6 -1.3 19 16 A G H > S+ 0 0 40 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.903 110.1 52.0 -58.1 -45.7 -5.6 -29.5 -3.6 20 17 A E H X S+ 0 0 59 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.945 110.5 47.7 -54.7 -50.9 -6.4 -25.8 -4.2 21 18 A M H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.929 113.3 48.7 -57.2 -45.9 -2.8 -25.0 -5.1 22 19 A K H X S+ 0 0 59 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.906 111.1 47.7 -63.2 -45.7 -2.8 -28.0 -7.5 23 20 A V H X S+ 0 0 94 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.930 110.7 53.4 -66.8 -34.5 -6.0 -27.2 -9.3 24 21 A A H X S+ 0 0 3 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.870 111.6 46.5 -59.8 -43.5 -4.8 -23.5 -9.6 25 22 A M H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.914 112.5 47.7 -61.9 -45.6 -1.7 -24.8 -11.3 26 23 A L H < S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.763 104.4 61.9 -75.8 -27.0 -3.5 -27.2 -13.6 27 24 A R H < S+ 0 0 187 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.916 115.1 34.0 -52.8 -50.5 -5.9 -24.5 -14.6 28 25 A I H < S+ 0 0 14 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.878 136.1 23.1 -74.3 -42.7 -2.9 -22.6 -15.9 29 26 A N >< - 0 0 7 -4,-3.1 3,-2.0 1,-0.1 -1,-0.3 -0.790 66.6-178.7-131.6 81.5 -0.9 -25.6 -17.2 30 27 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.739 83.5 50.3 -60.9 -22.3 -3.3 -28.5 -17.8 31 28 A N T 3 S+ 0 0 127 2,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.384 79.9 139.1 -97.0 9.6 -0.4 -30.8 -18.8 32 29 A A < - 0 0 15 -3,-2.0 2,-0.8 -7,-0.1 -28,-0.1 -0.102 49.9-141.5 -56.3 139.6 1.8 -30.1 -15.8 33 30 A K E -a 4 0A 121 -30,-0.6 -28,-2.4 2,-0.0 2,-0.5 -0.891 26.0-168.6-103.4 97.7 3.6 -33.1 -14.3 34 31 A I E -a 5 0A 42 -2,-0.8 2,-0.6 -30,-0.2 -28,-0.2 -0.751 5.2-167.5-100.7 122.3 3.2 -32.1 -10.6 35 32 A V E -a 6 0A 61 -30,-2.8 -28,-1.9 -2,-0.5 2,-0.3 -0.951 13.6-140.1-116.2 115.5 5.3 -34.2 -8.2 36 33 A D E +a 7 0A 71 -2,-0.6 -28,-0.2 -30,-0.2 3,-0.1 -0.553 23.7 172.4 -71.2 134.1 4.7 -34.0 -4.5 37 34 A V E - 0 0 49 -30,-2.9 2,-0.3 1,-0.3 -29,-0.2 0.746 64.0 -45.9 -94.9 -67.9 7.7 -34.0 -2.2 38 35 A T E -a 8 0A 35 -31,-1.1 -29,-2.5 1,-0.1 -1,-0.3 -0.982 31.4-169.6-163.3 151.6 6.1 -33.2 1.2 39 36 A H S S+ 0 0 6 -2,-0.3 -27,-2.7 -31,-0.2 -31,-0.1 0.103 81.0 81.9-127.1 19.0 3.5 -31.0 2.7 40 37 A S + 0 0 72 -29,-0.1 -30,-0.2 -28,-0.1 3,-0.1 0.157 52.3 143.2-118.9 22.8 4.5 -32.1 6.2 41 38 A V S S- 0 0 9 -32,-1.6 3,-0.2 1,-0.1 -29,-0.1 -0.295 71.1 -84.5 -57.9 141.8 7.5 -29.9 6.9 42 39 A T > - 0 0 73 1,-0.2 3,-2.5 2,-0.1 7,-0.2 -0.212 67.0 -80.6 -52.7 130.9 7.6 -28.9 10.5 43 40 A R T 3 S- 0 0 187 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.142 107.7 -10.5 -43.2 124.8 5.3 -25.8 10.8 44 41 A H T 3 S+ 0 0 87 1,-0.2 2,-1.5 -3,-0.2 -1,-0.3 0.501 89.6 145.2 67.5 5.3 7.2 -22.6 9.7 45 42 A S <> + 0 0 18 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 -0.599 19.5 173.1 -81.6 95.3 10.6 -24.4 9.6 46 43 A I H > S+ 0 0 33 -2,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.897 79.4 58.2 -65.9 -34.0 12.3 -22.6 6.7 47 44 A L H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.938 108.4 41.3 -60.2 -51.4 15.5 -24.6 7.7 48 45 A E H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 114.5 53.4 -69.0 -41.1 13.9 -28.1 7.4 49 46 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.875 107.2 51.6 -52.2 -44.4 12.1 -27.0 4.1 50 47 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 109.6 50.1 -63.5 -41.4 15.4 -25.9 2.7 51 48 A F H X S+ 0 0 8 -4,-2.1 4,-2.1 128,-0.2 -2,-0.2 0.928 110.7 49.5 -60.3 -45.6 17.0 -29.3 3.5 52 49 A V H X S+ 0 0 20 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.933 112.2 45.6 -66.1 -48.0 14.2 -31.2 1.9 53 50 A M H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.863 108.8 59.0 -62.5 -34.6 14.3 -29.1 -1.3 54 51 A E H X S+ 0 0 1 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.951 106.4 46.8 -56.5 -46.8 18.1 -29.5 -1.3 55 52 A Q H X S+ 0 0 30 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.915 114.5 46.1 -67.1 -40.1 17.8 -33.3 -1.4 56 53 A V H >X S+ 0 0 38 -4,-1.8 4,-0.9 1,-0.2 3,-0.7 0.896 110.2 53.4 -70.4 -40.3 15.2 -33.3 -4.2 57 54 A V H >< S+ 0 0 1 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.900 101.9 61.0 -58.1 -39.3 17.2 -30.8 -6.3 58 55 A K H 3< S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 113.9 34.5 -58.9 -31.2 20.3 -33.0 -6.1 59 56 A Y H << S+ 0 0 182 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.438 97.2 100.3-105.9 -0.8 18.4 -35.8 -7.8 60 57 A S S << S- 0 0 16 -4,-0.9 3,-0.1 -3,-0.7 2,-0.0 -0.551 75.4-109.3 -86.8 151.0 16.2 -33.9 -10.3 61 58 A P > - 0 0 76 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.362 45.6 -84.9 -74.7 159.4 17.0 -33.4 -13.9 62 59 A K T 3 S+ 0 0 121 1,-0.2 25,-0.2 25,-0.1 3,-0.1 -0.268 116.2 37.8 -59.9 146.2 18.1 -30.0 -15.2 63 60 A G T 3 S+ 0 0 18 23,-3.1 -1,-0.2 1,-0.3 24,-0.2 0.227 81.5 142.8 91.2 -11.7 15.1 -27.8 -16.1 64 61 A T < - 0 0 1 -3,-1.6 24,-3.0 22,-0.2 2,-0.6 -0.260 44.9-139.0 -60.3 142.6 13.0 -29.0 -13.1 65 62 A V E -bc 5 88A 2 -61,-2.5 -59,-2.5 22,-0.2 2,-0.6 -0.953 14.6-160.9-112.0 122.2 10.8 -26.4 -11.5 66 63 A H E -bc 6 89A 1 22,-2.3 24,-2.9 -2,-0.6 2,-0.6 -0.916 4.0-166.1-111.3 111.8 10.7 -26.4 -7.7 67 64 A V E -bc 7 90A 0 -61,-2.8 -59,-2.0 -2,-0.6 2,-0.4 -0.865 12.2-179.9 -96.5 124.9 7.9 -24.7 -5.8 68 65 A G E +b 8 0A 0 22,-2.5 2,-0.4 -2,-0.6 -59,-0.2 -0.989 7.6 178.6-126.4 129.8 8.6 -24.3 -2.1 69 66 A V E +b 9 0A 2 -61,-2.7 -59,-1.3 -2,-0.4 2,-0.4 -0.833 26.2 137.0-139.1 90.0 6.2 -22.7 0.3 70 67 A I + 0 0 0 -2,-0.4 26,-0.1 -61,-0.2 24,-0.1 -0.946 30.4 162.6-120.7 111.8 7.1 -22.5 4.0 71 68 A D > + 0 0 17 -2,-0.4 3,-1.6 1,-0.1 59,-0.1 -0.498 19.4 152.6-143.4 59.5 6.0 -18.8 4.6 72 69 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -27,-0.0 0.848 81.4 54.9 -60.8 -31.8 5.5 -17.7 8.2 73 70 A G T 3 S+ 0 0 50 -29,-0.1 5,-0.6 2,-0.1 -2,-0.0 0.121 75.7 151.3 -91.3 20.3 6.3 -14.1 7.3 74 71 A V < 0 0 36 -3,-1.6 53,-0.1 54,-0.1 5,-0.1 -0.258 360.0 360.0 -56.9 142.0 3.7 -13.9 4.5 75 72 A G 0 0 35 3,-0.2 -2,-0.1 53,-0.0 3,-0.0 -0.878 360.0 360.0 149.2 360.0 2.5 -10.3 4.1 76 ! 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 77 74 A E 0 0 204 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 55.3 6.5 -7.3 3.0 78 75 A R - 0 0 44 -5,-0.6 -3,-0.2 1,-0.1 2,-0.2 -0.405 360.0-109.8 -64.6 148.5 8.8 -10.2 2.1 79 76 A R - 0 0 60 14,-0.4 14,-3.3 -2,-0.1 2,-0.5 -0.503 12.3-137.9 -83.8 152.2 9.3 -10.8 -1.6 80 77 A A E -D 92 0A 6 32,-0.4 32,-2.8 12,-0.2 2,-0.3 -0.939 36.9-168.7-102.7 126.7 8.1 -13.7 -3.8 81 78 A I E -DE 91 111A 1 10,-2.8 10,-1.9 -2,-0.5 2,-0.5 -0.898 30.2-151.4-127.9 153.2 10.9 -14.8 -6.1 82 79 A V E -DE 90 110A 0 28,-2.5 28,-2.7 -2,-0.3 2,-0.6 -0.990 15.9-157.7-111.3 123.0 11.8 -16.9 -9.0 83 80 A I E -DE 89 109A 1 6,-3.4 6,-2.1 -2,-0.5 2,-0.6 -0.918 10.5-155.9 -99.4 119.7 15.4 -18.1 -9.1 84 81 A E E +DE 88 108A 16 24,-3.6 23,-3.2 -2,-0.6 24,-1.9 -0.867 37.3 121.4-102.9 117.2 16.3 -19.0 -12.7 85 82 A G E S- E 0 106A 17 2,-0.9 21,-0.2 -2,-0.6 -22,-0.1 -0.657 84.7 -57.0-147.7-163.3 19.1 -21.5 -13.1 86 83 A D S S+ 0 0 45 19,-1.3 -23,-3.1 -2,-0.2 2,-0.3 0.655 138.5 25.9 -67.2 -15.0 19.8 -24.9 -14.6 87 84 A Q S S- 0 0 0 -25,-0.2 -2,-0.9 18,-0.2 2,-0.4 -0.932 93.9-124.1-129.0 164.7 16.9 -25.6 -12.4 88 85 A Y E -cD 65 84A 49 -24,-3.0 -22,-2.3 -2,-0.3 2,-0.4 -0.854 15.0-163.2-104.8 145.9 14.2 -23.2 -11.2 89 86 A L E -cD 66 83A 0 -6,-2.1 -6,-3.4 -2,-0.4 2,-0.5 -0.993 3.0-171.2-119.8 133.3 13.2 -22.3 -7.6 90 87 A V E +cD 67 82A 0 -24,-2.9 -22,-2.5 -2,-0.4 -8,-0.2 -0.946 37.3 133.7-122.7 106.0 9.8 -20.5 -6.9 91 88 A V E - 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