==== 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 ISOMERASE/BIOSYNTHETIC PROTEIN/RNA 03-MAY-09 3HAX . COMPND 2 MOLECULE: PROBABLE TRNA PSEUDOURIDINE SYNTHASE B; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR K.YE . 503 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 101 20.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 36 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 1 2 2 0 1 3 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 1 5 3 2 3 1 0 2 1 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 1 1 0 0 1 0 0 0 1 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 11 A R 0 0 234 0, 0.0 2,-0.4 0, 0.0 149,-0.1 0.000 360.0 360.0 360.0 20.1 39.0 8.1 -3.0 2 12 A I - 0 0 110 147,-0.2 164,-0.1 164,-0.1 0, 0.0 -0.994 360.0-150.6-134.3 140.2 36.6 10.9 -1.9 3 13 A L >> - 0 0 4 -2,-0.4 3,-2.3 196,-0.1 4,-0.6 -0.597 38.2 -99.7-100.6 165.2 33.7 11.0 0.5 4 14 A P T 34 S+ 0 0 58 0, 0.0 3,-0.3 0, 0.0 -1,-0.0 0.693 121.4 66.1 -55.8 -20.2 30.6 13.3 0.4 5 15 A A T 34 S+ 0 0 32 1,-0.2 94,-0.0 194,-0.1 238,-0.0 0.634 96.6 55.6 -75.1 -15.6 32.4 15.4 3.1 6 16 A D T <4 S+ 0 0 53 -3,-2.3 2,-0.4 2,-0.1 -1,-0.2 0.653 81.7 100.6 -90.3 -19.8 35.0 16.3 0.5 7 17 A I < - 0 0 107 -4,-0.6 2,-0.2 -3,-0.3 -5,-0.0 -0.572 65.8-146.7 -73.8 121.9 32.6 17.7 -2.1 8 18 A K - 0 0 192 -2,-0.4 2,-0.3 1,-0.0 -2,-0.1 -0.610 4.2-143.5 -96.1 150.2 32.6 21.5 -1.9 9 19 A R - 0 0 96 -2,-0.2 2,-0.3 264,-0.0 264,-0.1 -0.802 17.6-116.4-110.5 150.6 29.7 24.0 -2.5 10 20 A E - 0 0 139 -2,-0.3 262,-2.5 1,-0.0 2,-0.5 -0.615 30.3-121.1 -80.0 144.2 29.6 27.4 -4.2 11 21 A V E -A 271 0A 60 -2,-0.3 2,-0.5 260,-0.2 260,-0.2 -0.786 21.9-155.5 -88.8 124.0 28.6 30.3 -2.0 12 22 A L E -A 270 0A 22 258,-3.4 258,-2.2 -2,-0.5 2,-0.6 -0.893 8.9-143.3-100.2 124.8 25.5 32.3 -3.2 13 23 A I E +A 269 0A 81 -2,-0.5 256,-0.2 256,-0.2 3,-0.2 -0.784 26.4 168.0 -91.3 121.2 25.3 35.9 -2.1 14 24 A K S S+ 0 0 45 254,-2.2 2,-0.5 -2,-0.6 255,-0.2 0.835 77.3 25.2 -95.1 -46.2 21.8 37.1 -1.3 15 25 A D > - 0 0 45 253,-2.4 3,-0.7 1,-0.1 -1,-0.3 -0.940 59.7-177.8-124.4 109.1 22.6 40.4 0.4 16 26 A E T 3 S+ 0 0 147 -2,-0.5 -1,-0.1 1,-0.2 252,-0.0 0.738 84.3 56.4 -73.1 -25.5 26.0 41.9 -0.5 17 27 A N T 3 S+ 0 0 126 2,-0.0 2,-0.4 251,-0.0 -1,-0.2 0.511 77.8 116.4 -87.4 -7.4 25.5 44.8 2.0 18 28 A A < + 0 0 27 -3,-0.7 2,-0.3 250,-0.1 -3,-0.1 -0.502 40.1 170.8 -71.1 121.6 25.0 42.6 5.0 19 29 A E - 0 0 172 -2,-0.4 231,-0.4 249,-0.0 2,-0.3 -0.873 26.1-122.4-129.8 162.0 27.7 43.1 7.6 20 30 A T - 0 0 42 -2,-0.3 229,-0.0 265,-0.2 264,-0.0 -0.833 18.3-123.1-112.2 144.2 28.3 41.9 11.2 21 31 A N > - 0 0 55 -2,-0.3 3,-1.8 1,-0.1 0, 0.0 -0.762 13.3-149.9 -87.4 117.3 28.9 44.0 14.4 22 32 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.639 91.9 66.6 -61.2 -17.8 32.2 43.0 16.1 23 33 A D T 3 S+ 0 0 139 -3,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.666 93.8 70.1 -78.0 -18.6 30.8 43.9 19.5 24 34 A W S < S+ 0 0 78 -3,-1.8 299,-0.2 299,-0.0 298,-0.1 -0.717 86.4 10.9-104.3 152.3 28.3 41.0 19.5 25 35 A G S S- 0 0 14 297,-2.3 298,-0.0 -2,-0.3 296,-0.0 0.086 72.6 -95.3 79.5 171.2 28.7 37.3 19.7 26 36 A F - 0 0 72 5,-0.0 -1,-0.1 3,-0.0 5,-0.1 -0.771 33.2-165.9-131.0 86.8 31.6 35.0 20.6 27 37 A P >> - 0 0 16 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.405 43.4 -97.6 -64.1 150.1 33.5 33.7 17.5 28 38 A P G >4 S+ 0 0 19 0, 0.0 3,-1.0 0, 0.0 259,-0.0 0.779 124.9 53.8 -38.8 -43.0 35.9 30.7 18.4 29 39 A E G 34 S+ 0 0 133 1,-0.2 7,-0.0 7,-0.0 -3,-0.0 0.764 108.6 48.7 -66.8 -29.5 38.9 33.0 18.7 30 40 A K G <4 S+ 0 0 147 -3,-2.4 -1,-0.2 2,-0.1 6,-0.0 0.425 85.4 112.7 -92.4 -0.8 37.1 35.3 21.2 31 41 A R << - 0 0 2 -3,-1.0 2,-0.0 -4,-0.6 -5,-0.0 -0.610 67.6-128.6 -78.3 122.9 36.0 32.5 23.5 32 42 A P >> - 0 0 59 0, 0.0 4,-2.8 0, 0.0 3,-0.8 -0.384 34.4-102.6 -61.1 151.6 37.5 32.4 26.9 33 43 A I H 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.825 122.9 51.9 -49.3 -41.1 38.9 28.9 27.7 34 44 A E H 3> S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.880 113.9 43.5 -64.0 -39.8 35.9 28.0 29.9 35 45 A M H <> S+ 0 0 42 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.852 109.3 58.4 -71.8 -36.7 33.5 29.0 27.2 36 46 A H H < S+ 0 0 8 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 107.3 47.0 -59.4 -41.8 35.6 27.2 24.6 37 47 A I H >< S+ 0 0 16 -4,-2.0 3,-1.6 -5,-0.2 52,-0.2 0.905 106.6 57.6 -65.4 -44.2 35.2 23.9 26.6 38 48 A Q H 3< S+ 0 0 59 -4,-1.6 50,-1.4 1,-0.3 51,-0.8 0.824 118.5 32.1 -56.8 -34.7 31.4 24.4 26.9 39 49 A F T 3< S+ 0 0 12 -4,-1.5 197,-2.1 49,-0.2 -1,-0.3 -0.270 103.5 121.9-116.4 43.8 31.1 24.6 23.1 40 50 A G E < -G 235 0B 0 -3,-1.6 46,-3.0 46,-0.3 2,-0.4 -0.691 43.5-162.9-114.0 159.0 33.9 22.2 22.3 41 51 A V E -GH 234 85B 0 193,-2.6 193,-3.0 44,-0.3 2,-0.5 -0.992 16.4-142.2-137.5 130.8 34.6 19.0 20.5 42 52 A I E - H 0 84B 0 42,-3.1 42,-2.6 -2,-0.4 2,-1.4 -0.823 5.9-147.0 -95.1 127.2 37.7 16.8 20.9 43 53 A N E - H 0 83B 0 -2,-0.5 165,-2.5 189,-0.4 2,-0.3 -0.705 36.7-167.2 -84.8 82.1 39.2 15.0 17.9 44 54 A L E -iH 208 82B 0 38,-1.6 38,-2.8 -2,-1.4 2,-1.1 -0.556 27.9-144.5 -85.9 135.6 40.3 12.1 19.9 45 55 A D E -iH 209 81B 17 163,-2.7 165,-0.5 -2,-0.3 36,-0.2 -0.819 31.2-144.6 -90.1 93.4 42.7 9.3 18.9 46 56 A K E - H 0 80B 0 34,-2.8 34,-1.7 -2,-1.1 6,-0.1 -0.338 8.3-133.0 -60.7 134.4 41.0 6.4 20.7 47 57 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 31,-0.1 -0.578 25.2-101.9 -82.3 153.5 43.3 3.7 22.1 48 58 A P S S+ 0 0 22 0, 0.0 29,-0.3 0, 0.0 31,-0.1 -0.536 97.6 49.5 -68.3 144.2 42.8 -0.0 21.7 49 59 A G S S+ 0 0 51 27,-3.0 29,-0.1 1,-0.2 313,-0.0 -0.780 90.1 64.0 131.4 -89.0 41.3 -1.6 24.8 50 60 A P S S- 0 0 16 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.251 82.7-105.7 -69.2 156.3 38.3 0.3 26.2 51 61 A T > - 0 0 43 1,-0.1 4,-1.8 -3,-0.1 24,-0.1 -0.324 32.6-110.2 -68.7 162.8 34.9 0.8 24.5 52 62 A S H > S+ 0 0 0 22,-1.0 4,-1.8 1,-0.2 5,-0.1 0.842 120.1 56.6 -63.3 -33.9 34.1 4.2 23.0 53 63 A H H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.890 106.1 48.6 -64.8 -42.6 31.5 4.6 25.8 54 64 A E H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.895 107.5 56.1 -62.4 -43.6 34.1 4.0 28.5 55 65 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.907 107.3 48.1 -56.7 -45.5 36.4 6.5 26.9 56 66 A V H X S+ 0 0 11 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.903 109.9 52.9 -62.4 -42.3 33.7 9.3 27.1 57 67 A A H X S+ 0 0 54 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.897 109.7 49.4 -57.1 -42.5 33.1 8.3 30.7 58 68 A W H X S+ 0 0 47 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.907 110.3 49.7 -62.1 -45.9 36.8 8.8 31.4 59 69 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.909 110.5 50.3 -60.2 -45.3 36.9 12.2 29.6 60 70 A K H X>S+ 0 0 81 -4,-2.6 5,-2.3 1,-0.2 4,-0.5 0.918 114.3 45.1 -57.1 -47.0 33.8 13.3 31.7 61 71 A K H <5S+ 0 0 168 -4,-2.1 3,-0.4 3,-0.2 -2,-0.2 0.924 117.4 41.2 -65.2 -49.1 35.5 12.3 34.9 62 72 A I H <5S+ 0 0 24 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.911 121.5 39.8 -71.1 -43.0 39.0 13.7 34.2 63 73 A L H <5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.431 108.5-122.8 -86.6 0.7 37.9 17.0 32.7 64 74 A N T <5 + 0 0 137 -4,-0.5 2,-0.4 -3,-0.4 -3,-0.2 0.944 54.2 157.5 55.8 56.4 35.0 17.4 35.2 65 75 A L < - 0 0 17 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.866 41.9-154.7-110.5 143.1 32.2 17.6 32.7 66 76 A E S S+ 0 0 148 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.752 82.7 35.1 -82.2 -25.3 28.5 16.9 33.2 67 77 A K + 0 0 106 -7,-0.1 20,-2.8 2,-0.0 2,-0.3 -0.989 60.0 143.8-137.2 138.3 27.9 16.1 29.6 68 78 A A E -J 86 0B 21 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.935 12.9-179.4-164.1 151.0 29.8 14.5 26.6 69 79 A G E -J 85 0B 16 16,-2.3 16,-2.6 -2,-0.3 2,-0.2 -0.992 19.7-127.1-152.0 151.0 29.0 12.2 23.6 70 80 A H E -J 84 0B 25 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.588 18.2-124.8-100.9 163.1 30.9 10.6 20.7 71 81 A G S S- 0 0 0 12,-2.1 28,-0.2 1,-0.3 2,-0.1 0.099 87.1 -15.9 -93.8 22.0 30.3 10.7 17.0 72 82 A G S S- 0 0 8 11,-0.2 2,-0.5 2,-0.1 -1,-0.3 -0.211 77.7 -92.2 142.1 129.4 30.1 6.9 16.4 73 83 A T - 0 0 71 -3,-0.1 2,-0.4 -2,-0.1 9,-0.0 -0.420 31.5-165.5 -70.8 111.9 31.0 3.8 18.3 74 84 A L - 0 0 4 -2,-0.5 -22,-1.0 4,-0.1 -21,-0.2 -0.799 31.1-110.5 -86.9 138.4 34.5 2.4 17.7 75 85 A D > - 0 0 62 -2,-0.4 3,-1.6 -24,-0.1 -26,-0.1 -0.228 30.2-101.3 -66.0 158.0 34.9 -1.2 19.0 76 86 A P T 3 S+ 0 0 49 0, 0.0 -27,-3.0 0, 0.0 -1,-0.1 0.857 122.4 43.4 -47.3 -48.5 37.1 -1.9 22.0 77 87 A K T 3 S+ 0 0 159 -29,-0.3 116,-0.3 2,-0.0 2,-0.3 0.545 99.2 95.1 -78.0 -7.3 40.1 -3.3 19.9 78 88 A V < - 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