==== 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 02-DEC-04 1WU8 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PH0463; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS I . 768 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 558 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 20.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 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 . 95 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 6 3 0 0 3 3 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 3 3 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 0 13 10 7 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 3 3 3 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 35 0, 0.0 61,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.5 -64.6 5.7 10.5 2 2 A I E -ab 31 62A 0 28,-2.9 30,-3.6 59,-0.2 2,-0.3 -0.963 360.0-157.1-118.9 130.7 -61.5 3.5 10.9 3 3 A T E -ab 32 63A 0 59,-2.4 61,-2.6 -2,-0.4 2,-0.4 -0.765 9.1-148.3-103.0 152.5 -58.0 4.8 11.8 4 4 A L E +ab 33 64A 0 28,-2.1 30,-2.5 -2,-0.3 31,-1.2 -0.980 18.2 172.3-125.2 130.4 -54.8 2.9 11.0 5 5 A T E +ab 35 65A 1 59,-1.9 61,-3.3 -2,-0.4 2,-0.3 -0.975 19.1 143.0-138.0 121.1 -51.5 2.8 13.0 6 6 A T E - b 0 66A 0 29,-2.2 32,-1.7 -2,-0.4 61,-0.2 -0.888 54.5-131.1-147.2 177.5 -48.7 0.5 12.1 7 7 A D + 0 0 11 59,-1.2 29,-0.1 -2,-0.3 60,-0.1 0.048 69.8 121.0-116.9 16.3 -44.9 -0.0 11.9 8 8 A F - 0 0 14 58,-0.3 429,-0.4 1,-0.1 430,-0.2 0.766 69.1-129.8 -53.3 -33.3 -45.4 -1.5 8.4 9 9 A G - 0 0 14 27,-2.9 6,-0.3 -3,-0.1 -1,-0.1 -0.163 13.5 -98.1 97.1 164.0 -43.1 1.1 6.8 10 10 A L S S+ 0 0 55 1,-0.2 2,-0.9 -2,-0.1 284,-0.5 0.723 101.3 66.5 -95.8 -23.1 -43.9 3.3 3.7 11 11 A K S S+ 0 0 47 281,-0.1 426,-0.3 282,-0.1 -1,-0.2 -0.790 88.1 54.4-106.6 98.0 -42.2 1.4 0.9 12 12 A G S S- 0 0 6 -2,-0.9 4,-0.3 424,-0.1 282,-0.1 -0.964 89.0 -91.5 169.9-174.5 -43.8 -1.9 0.3 13 13 A P S > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.535 91.8 99.0-102.2 -4.2 -47.2 -3.4 -0.4 14 14 A Y H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.893 85.0 40.4 -47.2 -59.7 -48.2 -4.0 3.2 15 15 A V H > S+ 0 0 10 -6,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.916 115.7 52.5 -60.7 -42.1 -50.4 -1.0 3.9 16 16 A G H > S+ 0 0 0 275,-0.3 4,-2.4 -4,-0.3 5,-0.2 0.875 108.0 51.4 -60.7 -39.1 -52.0 -1.2 0.5 17 17 A E H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.892 109.4 48.5 -65.2 -43.1 -52.9 -4.9 1.0 18 18 A X H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.893 112.5 50.0 -66.3 -39.0 -54.6 -4.3 4.4 19 19 A K H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.935 113.5 42.3 -67.1 -47.2 -56.6 -1.4 2.9 20 20 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.863 114.2 54.0 -69.0 -30.4 -57.9 -3.3 -0.1 21 21 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.2 -2,-0.2 0.903 111.0 45.4 -66.0 -42.2 -58.5 -6.3 2.1 22 22 A X H >X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 3,-1.2 0.923 113.1 49.3 -65.9 -45.6 -60.6 -4.1 4.4 23 23 A L H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.768 103.3 62.4 -65.3 -24.7 -62.4 -2.5 1.5 24 24 A R H 3< S+ 0 0 108 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.739 113.3 35.0 -72.8 -20.9 -63.1 -6.0 0.2 25 25 A I H << S+ 0 0 22 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.755 138.4 18.9 -99.7 -35.5 -65.1 -6.8 3.4 26 26 A N S >< S- 0 0 8 -4,-2.8 3,-1.9 -5,-0.1 -1,-0.2 -0.673 71.9-172.3-138.6 79.2 -66.5 -3.3 3.8 27 27 A P T 3 S+ 0 0 93 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.586 83.6 44.3 -48.7 -18.6 -66.3 -1.5 0.4 28 28 A N T 3 S+ 0 0 130 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 -0.036 77.1 134.0-123.8 37.6 -67.4 1.8 1.8 29 29 A A < - 0 0 1 -3,-1.9 2,-0.9 -7,-0.1 108,-0.1 -0.625 56.4-128.3 -81.3 140.0 -65.5 2.1 5.0 30 30 A K - 0 0 71 -2,-0.3 -28,-2.9 110,-0.0 2,-0.5 -0.811 29.1-163.4 -93.2 105.1 -63.8 5.4 5.6 31 31 A I E -a 2 0A 38 -2,-0.9 2,-0.5 -30,-0.2 -28,-0.2 -0.795 7.1-167.6 -98.1 123.5 -60.2 4.7 6.3 32 32 A V E -a 3 0A 9 -30,-3.6 -28,-2.1 -2,-0.5 2,-0.3 -0.929 14.1-140.9-112.5 120.5 -58.0 7.3 7.9 33 33 A D E +a 4 0A 34 -2,-0.5 -28,-0.1 -30,-0.2 500,-0.1 -0.611 22.6 173.5 -79.0 133.8 -54.2 6.8 8.0 34 34 A V E - 0 0 9 -30,-2.5 496,-0.3 1,-0.4 2,-0.3 0.792 64.7 -47.3 -98.7 -63.8 -52.5 7.9 11.3 35 35 A T E -a 5 0A 8 -31,-1.2 -29,-2.2 490,-0.1 -1,-0.4 -0.966 32.2-167.1-167.1 156.9 -49.0 6.6 10.5 36 36 A H S S+ 0 0 10 488,-0.3 -27,-2.9 -2,-0.3 489,-0.1 0.094 79.9 82.7-132.7 15.0 -47.2 3.5 9.3 37 37 A S + 0 0 26 487,-0.5 -30,-0.2 -29,-0.1 3,-0.1 0.124 50.7 141.3-109.7 16.9 -43.8 4.8 10.4 38 38 A V S S- 0 0 4 -32,-1.7 3,-0.2 1,-0.1 4,-0.1 -0.410 72.1 -87.6 -59.8 135.4 -43.8 3.8 14.0 39 39 A T > - 0 0 54 1,-0.2 3,-2.7 2,-0.1 7,-0.2 -0.196 65.5 -78.3 -46.1 131.5 -40.3 2.6 14.8 40 40 A R T 3 S- 0 0 75 1,-0.3 -1,-0.2 397,-0.1 3,-0.1 -0.026 108.0 -12.2 -41.4 120.2 -40.2 -1.1 14.0 41 41 A H T 3 S+ 0 0 31 -3,-0.2 2,-1.5 1,-0.2 -1,-0.3 0.527 89.4 147.0 65.4 7.3 -41.9 -3.3 16.7 42 42 A S <> + 0 0 26 -3,-2.7 4,-2.6 1,-0.2 -1,-0.2 -0.573 19.4 175.1 -80.1 92.9 -42.0 -0.4 19.1 43 43 A I H > S+ 0 0 33 -2,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.875 77.9 54.8 -63.6 -39.8 -45.2 -1.1 21.1 44 44 A L H > S+ 0 0 31 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 111.5 44.3 -58.3 -49.9 -44.7 1.8 23.5 45 45 A E H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.956 113.7 49.6 -60.0 -49.1 -44.4 4.3 20.6 46 46 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 109.4 53.6 -57.5 -38.9 -47.3 2.8 18.8 47 47 A S H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.875 107.2 50.3 -64.5 -38.8 -49.3 3.0 22.0 48 48 A F H X S+ 0 0 1 -4,-2.0 4,-1.9 128,-0.2 -1,-0.2 0.903 109.3 51.2 -66.0 -42.0 -48.6 6.7 22.4 49 49 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.954 111.4 47.0 -61.4 -48.7 -49.6 7.5 18.8 50 50 A X H X S+ 0 0 2 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.900 106.6 59.2 -60.3 -41.1 -53.0 5.7 19.3 51 51 A E H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.941 107.0 46.4 -53.2 -50.3 -53.6 7.5 22.6 52 52 A Q H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.923 113.5 46.8 -60.7 -47.3 -53.4 10.9 21.0 53 53 A V H >X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 3,-1.0 0.917 109.4 55.0 -61.7 -43.6 -55.7 10.1 18.0 54 54 A V H 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 99.8 62.6 -58.1 -35.1 -58.2 8.4 20.3 55 55 A K H 3< S+ 0 0 39 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.815 114.0 31.1 -64.1 -30.3 -58.4 11.6 22.4 56 56 A Y H << S+ 0 0 30 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.530 95.5 112.9-105.2 -5.7 -59.7 13.7 19.5 57 57 A S S < S- 0 0 2 -4,-1.4 3,-0.1 -3,-0.2 478,-0.1 -0.354 74.1-105.1 -70.9 143.5 -61.7 10.9 17.6 58 58 A P > - 0 0 34 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.309 47.5 -93.2 -61.5 146.7 -65.5 11.0 17.4 59 59 A K T 3 S+ 0 0 132 1,-0.2 25,-0.2 25,-0.1 3,-0.1 -0.352 114.9 37.5 -60.6 143.9 -67.2 8.5 19.6 60 60 A G T 3 S+ 0 0 42 23,-2.0 -1,-0.2 1,-0.3 24,-0.2 0.330 82.6 143.8 95.2 -8.0 -67.8 5.2 17.8 61 61 A T < - 0 0 4 -3,-1.7 24,-2.6 22,-0.2 2,-0.5 -0.379 44.4-138.6 -66.6 142.7 -64.5 5.4 15.9 62 62 A V E -bc 2 85A 1 -61,-2.6 -59,-2.4 22,-0.2 2,-0.6 -0.914 14.4-160.2-105.9 127.0 -62.8 2.1 15.2 63 63 A H E -bc 3 86A 1 22,-2.5 24,-2.5 -2,-0.5 2,-0.6 -0.916 3.8-166.6-114.1 112.8 -59.0 2.1 15.7 64 64 A V E -bc 4 87A 0 -61,-2.6 -59,-1.9 -2,-0.6 2,-0.5 -0.846 10.7-177.4 -96.1 121.2 -56.9 -0.7 14.1 65 65 A G E -b 5 0A 0 22,-2.5 2,-0.4 -2,-0.6 -59,-0.2 -0.969 7.0-178.0-123.8 126.1 -53.3 -0.8 15.4 66 66 A V E +b 6 0A 4 -61,-3.3 -59,-1.2 -2,-0.5 2,-0.5 -0.731 28.8 135.7-130.2 89.3 -50.7 -3.2 14.2 67 67 A I + 0 0 0 -2,-0.4 3,-0.2 -61,-0.2 26,-0.1 -0.893 31.3 161.2-119.2 96.4 -47.3 -3.2 15.7 68 68 A D > + 0 0 16 -2,-0.5 3,-1.6 1,-0.2 59,-0.1 -0.607 20.4 157.1-132.3 71.3 -47.0 -7.0 15.9 69 69 A P T 3 S+ 0 0 27 0, 0.0 401,-0.2 0, 0.0 -1,-0.2 0.788 84.8 55.3 -63.9 -26.5 -43.5 -8.4 16.4 70 70 A G T > S+ 0 0 21 -3,-0.2 3,-2.2 399,-0.1 5,-0.4 0.152 80.0 153.3 -93.7 21.4 -45.0 -11.5 17.8 71 71 A V T < + 0 0 7 -3,-1.6 399,-0.5 1,-0.3 3,-0.1 -0.166 66.8 14.7 -52.5 138.4 -47.2 -12.1 14.8 72 72 A G T 3 S+ 0 0 30 1,-0.2 -1,-0.3 3,-0.1 53,-0.1 0.443 106.7 106.4 76.7 -2.0 -48.2 -15.7 14.3 73 73 A T S < S- 0 0 52 -3,-2.2 -1,-0.2 3,-0.1 -3,-0.0 -0.060 94.8 -75.2 -92.7-161.8 -47.2 -16.7 17.8 74 74 A E S S+ 0 0 188 -3,-0.1 -3,-0.1 2,-0.0 -2,-0.0 0.661 92.2 118.2 -71.2 -17.4 -49.2 -17.6 20.8 75 75 A R - 0 0 38 -5,-0.4 -3,-0.1 1,-0.1 16,-0.1 -0.212 66.4-120.8 -53.4 137.1 -50.1 -13.9 21.4 76 76 A R - 0 0 54 14,-0.4 14,-3.4 13,-0.1 2,-0.5 -0.379 8.6-135.1 -80.4 159.4 -53.8 -13.2 21.1 77 77 A A E -D 89 0A 7 32,-0.4 32,-3.3 12,-0.3 2,-0.3 -0.966 35.9-169.2-110.6 127.6 -55.5 -10.8 18.7 78 78 A I E -DE 88 108A 2 10,-2.6 10,-1.6 -2,-0.5 2,-0.4 -0.854 26.7-152.8-127.9 161.4 -58.1 -8.7 20.6 79 79 A V E -DE 87 107A 1 28,-2.5 28,-3.0 -2,-0.3 2,-0.6 -0.997 13.3-157.2-126.9 127.2 -60.9 -6.3 20.1 80 80 A I E -DE 86 106A 0 6,-3.3 6,-2.1 -2,-0.4 2,-0.4 -0.938 11.5-159.5-109.0 120.2 -61.7 -3.8 22.8 81 81 A E E +DE 85 105A 15 24,-2.8 23,-3.2 -2,-0.6 24,-1.9 -0.861 39.8 82.7-104.9 133.1 -65.3 -2.5 22.8 82 82 A G E S- E 0 103A 22 2,-0.5 21,-0.2 -2,-0.4 -22,-0.1 -0.819 91.9 -6.6-178.7-140.2 -66.5 0.7 24.4 83 83 A D S S- 0 0 51 19,-1.2 -23,-2.0 -2,-0.2 2,-0.3 0.839 139.2 -5.6 -45.7 -41.3 -66.7 4.5 23.8 84 84 A Q S S- 0 0 1 -25,-0.2 -2,-0.5 -24,-0.2 2,-0.3 -0.828 90.0-102.6-143.7 175.0 -64.7 3.7 20.7 85 85 A Y E -cD 62 81A 49 -24,-2.6 -22,-2.5 -2,-0.3 2,-0.4 -0.850 20.5-162.1-113.7 148.8 -63.1 0.4 19.5 86 86 A L E -cD 63 80A 0 -6,-2.1 -6,-3.3 -2,-0.3 2,-0.5 -0.990 4.2-174.7-124.7 132.9 -59.5 -0.9 19.6 87 87 A V E +cD 64 79A 0 -24,-2.5 -22,-2.5 -2,-0.4 -8,-0.2 -0.917 33.9 130.5-129.7 102.2 -58.5 -3.8 17.4 88 88 A V E - 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