==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE, HYDROLASE 20-OCT-06 2E1B . COMPND 2 MOLECULE: 216AA LONG HYPOTHETICAL ALANYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR R.FUKUNAGA,S.YOKOYAMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 63.9 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 . 55 25.5 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 . 20 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 . 3 3 1 2 1 1 0 1 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 . 1 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 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 0 198 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.5 6.6 52.8 77.9 2 2 A I + 0 0 154 1,-0.2 4,-0.3 4,-0.0 0, 0.0 0.369 360.0 98.8-105.5 2.8 8.7 55.6 79.4 3 3 A N S S+ 0 0 136 2,-0.1 2,-0.5 0, 0.0 -1,-0.2 0.488 72.3 87.3 -67.3 1.5 8.3 54.6 83.0 4 4 A M S S- 0 0 58 -3,-0.2 2,-0.6 29,-0.1 62,-0.1 -0.909 96.7-109.5-107.0 125.7 11.7 53.1 82.4 5 5 A T - 0 0 5 -2,-0.5 62,-0.2 59,-0.1 28,-0.2 -0.351 39.5-122.9 -54.7 101.8 14.8 55.3 82.8 6 6 A R - 0 0 149 -2,-0.6 2,-0.4 27,-0.3 61,-0.1 -0.108 27.1-142.7 -46.2 144.9 16.0 55.8 79.3 7 7 A K - 0 0 35 1,-0.1 29,-0.1 27,-0.1 -1,-0.1 -0.930 23.6-179.0-118.4 140.9 19.6 54.6 78.9 8 8 A L S > S+ 0 0 16 27,-1.8 3,-1.8 -2,-0.4 4,-0.5 0.775 75.5 67.2-105.5 -37.0 22.3 56.3 76.8 9 9 A Y T 3 S+ 0 0 3 26,-0.7 4,-0.2 1,-0.3 5,-0.2 0.817 93.7 61.4 -56.2 -33.4 25.3 54.0 77.3 10 10 A Y T 3 S+ 0 0 50 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.802 116.1 33.9 -63.6 -24.4 23.6 51.2 75.4 11 11 A E S < S+ 0 0 133 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.3 0.375 90.0 150.6-103.4 -2.6 23.6 53.7 72.5 12 12 A D > - 0 0 11 -4,-0.5 3,-2.9 1,-0.2 -1,-0.2 0.380 25.8-177.6 7.9 -74.4 27.0 54.9 73.9 13 13 A A T 3 S- 0 0 87 1,-0.3 -1,-0.2 -4,-0.2 3,-0.1 0.840 79.0 -76.1 56.9 26.9 28.5 56.0 70.6 14 14 A Y T 3 S+ 0 0 34 1,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.588 81.1 172.2 59.0 14.7 31.2 56.6 73.2 15 15 A L < - 0 0 55 -3,-2.9 -1,-0.2 -7,-0.2 3,-0.1 -0.346 12.3-174.0 -57.5 122.1 29.4 59.7 74.4 16 16 A K + 0 0 93 1,-0.2 71,-0.7 -3,-0.1 2,-0.4 0.941 63.4 41.1 -83.4 -56.3 31.3 60.9 77.6 17 17 A E E +A 86 0A 118 69,-0.2 2,-0.3 18,-0.0 69,-0.2 -0.788 67.7 176.2-100.6 140.5 29.2 63.7 78.9 18 18 A A E -A 85 0A 15 67,-1.7 67,-3.5 -2,-0.4 2,-0.3 -0.838 16.8-153.7-134.5 170.9 25.4 63.7 79.1 19 19 A K E +A 84 0A 95 -2,-0.3 2,-0.3 65,-0.3 65,-0.2 -0.949 23.0 154.1-151.2 126.0 22.5 65.8 80.4 20 20 A G E -A 83 0A 0 63,-1.1 63,-1.1 -2,-0.3 14,-0.2 -0.997 43.2 -88.4-155.0 151.1 19.1 64.8 81.4 21 21 A R - 0 0 117 -2,-0.3 12,-0.7 61,-0.2 2,-0.3 0.143 44.6-118.4 -47.9 170.2 16.1 65.8 83.7 22 22 A V B -D 32 0B 9 10,-0.2 59,-0.4 11,-0.1 10,-0.2 -0.887 27.3-175.5-118.7 149.6 16.0 64.7 87.3 23 23 A L - 0 0 66 8,-1.8 10,-0.1 1,-0.4 9,-0.1 -0.361 43.6 -28.1-122.2-156.7 13.4 62.5 89.1 24 24 A E - 0 0 87 -2,-0.1 -1,-0.4 8,-0.1 2,-0.3 0.212 55.0-149.3 -52.0 177.0 12.8 61.3 92.6 25 25 A I - 0 0 69 5,-0.2 5,-0.2 -3,-0.1 2,-0.1 -0.950 13.4-174.6-146.8 163.2 15.4 60.8 95.3 26 26 A R - 0 0 122 3,-1.2 0, 0.0 -2,-0.3 0, 0.0 -0.224 63.8 -47.5-131.9-138.7 16.1 58.7 98.4 27 27 A D S S- 0 0 137 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.989 130.9 -22.3 -66.2 -58.9 18.9 58.7 101.0 28 28 A N S S+ 0 0 75 45,-0.0 43,-1.1 47,-0.0 -1,-0.1 0.474 113.4 114.6-124.9 -17.0 21.6 59.0 98.4 29 29 A A - 0 0 9 41,-0.2 -3,-1.2 39,-0.1 39,-0.1 -0.063 43.7-168.0 -54.5 157.9 19.7 57.5 95.4 30 30 A I - 0 0 4 -5,-0.2 39,-0.4 49,-0.0 -5,-0.2 -0.432 7.9-158.7-151.6 68.1 19.0 59.8 92.4 31 31 A L + 0 0 26 -7,-0.2 -8,-1.8 37,-0.1 2,-0.2 -0.174 23.7 171.3 -49.9 139.0 16.4 58.3 90.1 32 32 A L B -D 22 0B 1 35,-0.6 -10,-0.2 -10,-0.2 -8,-0.1 -0.555 41.9-135.5-133.3-160.7 16.7 59.9 86.6 33 33 A D S S+ 0 0 39 -12,-0.7 -27,-0.3 1,-0.4 2,-0.3 0.132 88.5 41.3-150.4 13.7 15.5 59.5 83.0 34 34 A Q + 0 0 27 -13,-0.3 -1,-0.4 -14,-0.2 2,-0.2 -0.954 64.9 144.2-158.9 152.4 18.7 60.1 81.2 35 35 A T - 0 0 0 -2,-0.3 -27,-1.8 -16,-0.1 -26,-0.7 -0.819 40.5-162.0 170.5 149.2 22.3 58.9 81.8 36 36 A I + 0 0 0 -2,-0.2 2,-0.5 -28,-0.2 -1,-0.1 0.421 68.7 110.0-115.1 -12.2 25.6 57.7 80.3 37 37 A F S S- 0 0 0 1,-0.1 -28,-0.1 30,-0.1 -29,-0.1 -0.540 70.7-134.7 -68.4 114.0 26.6 56.2 83.7 38 38 A Y - 0 0 2 -2,-0.5 9,-0.6 1,-0.1 -1,-0.1 -0.609 14.9-149.9 -75.2 125.5 26.5 52.4 83.3 39 39 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 20,-0.2 0.934 32.8 -98.9 -57.5-100.9 24.7 50.9 86.3 40 40 A T + 0 0 47 6,-0.1 20,-0.1 5,-0.1 27,-0.0 -0.940 63.8 95.6-171.0-172.2 26.0 47.4 87.0 41 41 A G > + 0 0 29 -2,-0.3 3,-0.9 1,-0.0 142,-0.0 0.120 59.8 71.0 90.1 152.5 25.4 43.7 86.6 42 42 A G T 3 S- 0 0 62 1,-0.2 82,-0.2 142,-0.1 141,-0.1 0.506 122.5 -71.2 83.7 3.6 26.7 41.3 84.0 43 43 A G T 3 S+ 0 0 30 1,-0.2 82,-1.9 80,-0.1 -1,-0.2 0.329 106.9 117.7 93.0 -7.2 30.2 41.4 85.5 44 44 A Q < - 0 0 2 -3,-0.9 -1,-0.2 80,-0.2 3,-0.1 -0.821 63.8-132.8 -98.3 101.9 30.8 44.9 84.3 45 45 A P - 0 0 35 0, 0.0 2,-0.5 0, 0.0 -5,-0.1 0.003 33.9 -86.0 -48.5 156.0 31.4 47.2 87.3 46 46 A H - 0 0 38 11,-0.1 -6,-0.1 -9,-0.1 14,-0.1 -0.537 46.0-131.7 -68.5 115.2 29.5 50.6 87.5 47 47 A D - 0 0 1 -9,-0.6 2,-0.2 -2,-0.5 42,-0.1 -0.205 30.5-152.2 -59.9 166.6 31.7 53.0 85.7 48 48 A R + 0 0 111 40,-0.2 40,-3.5 -11,-0.0 2,-0.3 -0.760 34.4 116.3-135.8-178.5 32.2 56.2 87.7 49 49 A G E -B 87 0A 13 7,-0.4 7,-1.7 38,-0.3 2,-0.4 -0.982 59.8 -38.7 157.0-143.4 32.9 59.9 87.4 50 50 A T E -BC 86 55A 38 36,-2.4 36,-2.3 -2,-0.3 2,-0.7 -0.972 26.1-163.5-129.3 136.3 31.1 63.2 88.3 51 51 A I E > S- C 0 54A 1 3,-0.8 3,-0.8 -2,-0.4 34,-0.2 -0.941 95.3 -12.8-112.0 104.1 27.5 64.3 88.1 52 52 A N T 3 S- 0 0 50 -2,-0.7 -1,-0.2 32,-0.3 3,-0.1 0.963 128.0 -58.6 66.2 50.6 27.7 68.1 88.3 53 53 A G T 3 S+ 0 0 57 -3,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.570 112.9 131.8 55.6 6.6 31.3 67.9 89.4 54 54 A V E < -C 51 0A 10 -3,-0.8 -3,-0.8 1,-0.1 2,-0.5 -0.435 65.1-100.4 -86.2 162.6 29.9 65.8 92.3 55 55 A E E -C 50 0A 109 -5,-0.2 17,-2.7 -2,-0.1 2,-0.5 -0.737 28.2-159.6 -90.6 123.7 31.3 62.5 93.4 56 56 A V E +E 71 0C 8 -7,-1.7 -7,-0.4 -2,-0.5 15,-0.2 -0.887 18.0 167.4-101.2 125.1 29.5 59.3 92.2 57 57 A L E + 0 0 101 13,-2.7 2,-0.3 -2,-0.5 14,-0.2 0.728 62.6 17.4-108.7 -30.6 30.3 56.3 94.4 58 58 A D E -E 70 0C 51 12,-1.5 12,-1.0 2,-0.0 -1,-0.3 -0.989 54.7-175.1-143.7 148.7 27.8 53.6 93.4 59 59 A V E +E 69 0C 0 -2,-0.3 10,-0.2 10,-0.2 2,-0.2 -0.838 23.9 138.2-150.1 108.0 25.5 53.1 90.4 60 60 A Y E -E 68 0C 84 8,-1.3 8,-1.3 -2,-0.3 2,-0.3 -0.435 38.6-107.5-128.4-156.5 23.0 50.3 90.1 61 61 A K - 0 0 93 6,-0.2 6,-0.2 -2,-0.2 2,-0.1 -0.938 18.0-124.9-140.9 162.3 19.4 49.6 89.0 62 62 A D > - 0 0 37 -2,-0.3 3,-2.6 4,-0.2 5,-0.0 -0.365 45.1 -85.5 -98.3-179.9 16.0 48.8 90.5 63 63 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.902 134.8 46.9 -53.0 -44.5 13.5 46.0 89.9 64 64 A E T 3 S- 0 0 106 2,-0.1 -1,-0.3 -61,-0.1 -59,-0.1 0.262 128.8-104.5 -81.9 14.1 12.1 47.9 86.9 65 65 A G < + 0 0 16 -3,-2.6 2,-0.7 1,-0.2 -2,-0.2 0.954 61.8 167.0 63.6 53.0 15.7 48.4 85.9 66 66 A N - 0 0 11 -62,-0.1 2,-0.5 -35,-0.0 -1,-0.2 -0.889 35.1-127.3-108.1 114.0 16.0 52.1 87.0 67 67 A V - 0 0 0 -2,-0.7 -35,-0.6 -62,-0.2 2,-0.5 -0.398 25.3-171.4 -63.2 107.7 19.4 53.6 87.2 68 68 A W E -E 60 0C 20 -8,-1.3 -8,-1.3 -2,-0.5 2,-0.8 -0.866 12.6-149.2-100.5 130.5 20.1 55.2 90.6 69 69 A H E -E 59 0C 0 -2,-0.5 2,-0.4 -39,-0.4 -10,-0.2 -0.723 8.6-150.3-106.0 86.1 23.3 57.2 90.9 70 70 A V E -E 58 0C 14 -12,-1.0 -13,-2.7 -2,-0.8 -12,-1.5 -0.333 26.5-173.5 -55.3 107.8 24.6 57.1 94.5 71 71 A V E -E 56 0C 2 -43,-1.1 -15,-0.2 -2,-0.4 -1,-0.0 -0.597 35.3-131.6-106.9 168.4 26.4 60.4 95.0 72 72 A K S S+ 0 0 141 -17,-2.7 3,-0.2 1,-0.2 -16,-0.1 0.854 102.6 46.3 -82.1 -40.6 28.6 62.0 97.7 73 73 A E > + 0 0 94 -18,-0.3 3,-0.6 1,-0.2 -1,-0.2 -0.721 58.4 151.3-108.1 81.7 26.7 65.3 97.8 74 74 A P G > + 0 0 23 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.678 67.5 72.0 -81.2 -17.7 23.0 64.5 97.8 75 75 A E G 3 S+ 0 0 151 1,-0.2 3,-0.0 -3,-0.2 -2,-0.0 0.068 89.2 62.2 -85.1 24.7 22.3 67.7 99.7 76 76 A K G < S+ 0 0 104 -3,-0.6 2,-0.4 2,-0.0 -1,-0.2 0.086 90.6 82.6-132.1 17.3 23.0 69.7 96.5 77 77 A F < - 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