==== 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/STRUCTURAL PROTEIN 29-AUG-05 2AUS . COMPND 2 MOLECULE: PSEUDOURIDINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR C.CHARRON,X.MANIVAL,B.CHARPENTIER,J.-B.FOURMANN,F.GODARD,C.B . 726 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34307.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 24.4 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 . 3 0.4 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 . 1 0.1 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 . 66 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 0 0 6 0 2 0 2 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 5 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 PARALLEL BRIDGES PER LADDER . 2 11 6 1 4 2 0 3 3 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 2 0 0 0 0 0 0 0 2 0 0 1 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 12 C A 0 0 122 0, 0.0 95,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.4 31.6 88.4 16.7 2 13 C D + 0 0 92 2,-0.0 2,-0.5 182,-0.0 226,-0.1 -0.301 360.0 147.2-134.0 48.8 30.3 90.3 19.7 3 14 C I - 0 0 136 1,-0.1 0, 0.0 224,-0.1 0, 0.0 -0.766 59.6 -98.0 -91.1 127.4 33.4 92.2 20.9 4 15 C K - 0 0 123 -2,-0.5 2,-0.2 1,-0.1 370,-0.1 -0.144 41.1-136.2 -44.4 121.5 32.7 95.6 22.5 5 16 C R - 0 0 81 1,-0.1 369,-0.2 368,-0.1 2,-0.1 -0.513 22.8-102.2 -82.6 153.2 33.3 98.3 19.9 6 17 C E - 0 0 75 -2,-0.2 251,-2.2 367,-0.1 2,-0.5 -0.433 32.2-137.6 -72.6 147.0 35.2 101.5 20.7 7 18 C V E -Ab 256 375A 4 367,-3.0 369,-3.6 249,-0.2 2,-0.6 -0.933 11.3-159.6-111.5 130.2 33.1 104.6 21.3 8 19 C I E -Ab 255 376A 9 247,-3.5 247,-2.0 -2,-0.5 2,-0.5 -0.940 11.5-142.9-113.3 119.9 34.1 108.0 19.9 9 20 C V E +A 254 0A 10 367,-2.8 245,-0.3 -2,-0.6 370,-0.2 -0.692 24.1 171.3 -85.9 123.8 32.7 111.1 21.6 10 21 C K S S+ 0 0 62 243,-3.1 2,-0.6 -2,-0.5 244,-0.2 0.838 79.0 35.4 -94.6 -43.4 31.9 114.0 19.2 11 22 C D > - 0 0 45 242,-2.7 3,-1.0 1,-0.1 -1,-0.2 -0.841 62.8-180.0-117.7 94.3 30.1 116.2 21.8 12 23 C D T 3 S+ 0 0 45 -2,-0.6 -1,-0.1 1,-0.2 241,-0.0 0.684 81.5 53.5 -65.8 -20.2 31.7 115.9 25.3 13 24 C K T 3 S+ 0 0 109 240,-0.1 -1,-0.2 2,-0.0 641,-0.1 0.580 75.5 125.6 -93.4 -10.1 29.2 118.4 26.8 14 25 C A < + 0 0 21 -3,-1.0 2,-0.3 239,-0.1 640,-0.0 -0.200 34.3 178.2 -54.5 135.5 26.0 116.7 25.7 15 26 C E - 0 0 116 639,-0.0 220,-0.5 0, 0.0 2,-0.3 -0.881 18.1-132.7-132.9 163.3 23.6 116.0 28.6 16 27 C T - 0 0 42 -2,-0.3 218,-0.0 254,-0.1 253,-0.0 -0.909 22.0-109.0-124.2 151.5 20.1 114.5 28.6 17 28 C N > - 0 0 53 -2,-0.3 3,-1.5 1,-0.2 0, 0.0 -0.662 20.7-152.6 -78.5 113.7 16.9 115.6 30.4 18 29 C P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.715 94.4 58.9 -59.6 -19.3 16.1 113.1 33.2 19 30 C K T 3 S+ 0 0 180 3,-0.1 2,-0.5 -3,-0.0 -2,-0.0 0.724 92.3 79.0 -82.8 -22.0 12.4 113.8 32.8 20 31 C W S < S- 0 0 70 -3,-1.5 288,-0.2 288,-0.0 287,-0.1 -0.758 103.1 -23.1 -92.4 127.9 12.3 112.7 29.2 21 32 C G S S- 0 0 10 -2,-0.5 287,-0.0 286,-0.5 0, 0.0 -0.297 78.8 -95.5 75.0-161.5 12.2 109.0 28.4 22 33 C F - 0 0 61 5,-0.0 5,-0.1 -2,-0.0 249,-0.1 -0.990 31.9 -93.0-155.6 152.8 13.4 106.3 30.8 23 34 C P > - 0 0 63 0, 0.0 3,-3.0 0, 0.0 249,-0.1 -0.587 52.8-115.0 -66.2 134.2 16.5 104.2 31.5 24 35 C P G > S+ 0 0 18 0, 0.0 3,-0.6 0, 0.0 197,-0.1 0.805 114.0 44.7 -39.2 -43.9 15.6 101.1 29.3 25 36 C D G 3 S+ 0 0 100 1,-0.2 7,-0.0 195,-0.1 0, 0.0 0.367 106.0 62.7 -87.8 5.3 15.4 98.8 32.4 26 37 C K G < S+ 0 0 142 -3,-3.0 -1,-0.2 2,-0.0 3,-0.0 -0.123 71.1 133.1-120.9 36.6 13.4 101.3 34.5 27 38 C R < - 0 0 0 -3,-0.6 5,-0.1 -5,-0.1 -5,-0.0 -0.687 67.9 -97.6 -91.7 139.5 10.3 101.5 32.4 28 39 C P >> - 0 0 64 0, 0.0 4,-2.6 0, 0.0 3,-0.7 -0.262 46.4-105.5 -50.3 139.9 6.8 101.3 34.0 29 40 C I H 3> S+ 0 0 17 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.777 118.8 50.3 -40.8 -45.8 5.6 97.7 33.5 30 41 C E H 3> S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.944 114.6 43.9 -61.2 -48.3 3.1 98.4 30.7 31 42 C L H <> S+ 0 0 39 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.886 108.9 58.8 -62.7 -39.5 5.7 100.4 28.8 32 43 C H H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 110.7 41.8 -55.7 -43.2 8.3 97.7 29.5 33 44 C I H >< S+ 0 0 8 -4,-2.0 3,-1.6 -5,-0.2 52,-0.2 0.893 109.6 57.7 -72.9 -39.3 6.0 95.2 27.7 34 45 C Q H 3< S+ 0 0 64 -4,-2.4 50,-0.9 1,-0.3 51,-0.9 0.795 121.3 29.1 -59.9 -29.9 5.1 97.6 24.9 35 46 C Y T 3< S+ 0 0 9 -4,-1.8 186,-2.6 49,-0.2 -1,-0.3 -0.179 102.8 116.6-123.6 38.3 8.8 97.9 24.2 36 47 C G E < -N 220 0B 0 -3,-1.6 46,-3.0 184,-0.2 2,-0.4 -0.678 47.0-154.1-111.0 164.0 9.9 94.4 25.3 37 48 C V E -NO 219 81B 2 182,-2.8 182,-3.0 44,-0.3 2,-0.4 -0.997 15.5-140.6-133.0 135.1 11.5 91.3 23.7 38 49 C I E - O 0 80B 0 42,-3.3 42,-2.5 -2,-0.4 2,-1.4 -0.832 5.2-147.0-101.0 132.3 11.1 87.8 25.1 39 50 C N E -pO 192 79B 0 152,-0.5 154,-2.5 178,-0.5 2,-0.3 -0.728 37.2-173.7 -93.9 83.7 14.0 85.4 25.0 40 51 C L E -pO 193 78B 0 -2,-1.4 38,-3.3 38,-1.4 2,-1.0 -0.601 30.5-139.3 -88.3 141.8 11.7 82.4 24.6 41 52 C D E - O 0 77B 15 152,-2.7 154,-0.4 -2,-0.3 36,-0.2 -0.845 31.0-141.9 -95.5 98.2 12.7 78.7 24.6 42 53 C K E - O 0 76B 0 34,-3.1 34,-1.7 -2,-1.0 6,-0.1 -0.386 10.5-132.2 -63.4 133.6 10.6 77.5 21.7 43 54 C P - 0 0 2 0, 0.0 31,-0.1 0, 0.0 2,-0.1 -0.620 26.8-103.9 -86.4 150.0 9.1 74.0 22.3 44 55 C P S S+ 0 0 13 0, 0.0 29,-0.2 0, 0.0 31,-0.1 -0.425 96.6 44.0 -69.7 148.7 9.4 71.5 19.5 45 56 C G S S+ 0 0 42 27,-3.0 29,-0.1 1,-0.3 28,-0.1 -0.665 90.6 74.4 122.4 -78.2 6.2 70.8 17.6 46 57 C P S S- 0 0 17 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.187 82.1-109.0 -68.0 163.2 4.5 74.2 16.8 47 58 C T > - 0 0 51 1,-0.1 4,-2.0 -3,-0.1 5,-0.1 -0.432 30.9-108.6 -84.4 167.9 5.7 76.5 14.1 48 59 C S H > S+ 0 0 2 22,-0.6 4,-2.4 1,-0.2 5,-0.2 0.904 120.9 55.0 -64.5 -39.1 7.3 79.8 15.2 49 60 C H H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 108.2 48.2 -58.5 -46.4 4.3 81.7 13.9 50 61 C E H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 109.4 53.2 -63.0 -38.8 2.0 79.6 16.1 51 62 C V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.904 109.2 48.6 -63.0 -42.1 4.3 80.1 19.1 52 63 C V H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 108.0 55.0 -64.7 -40.4 4.1 83.9 18.6 53 64 C A H X S+ 0 0 17 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.913 108.2 49.4 -58.2 -42.4 0.3 83.6 18.3 54 65 C W H X S+ 0 0 49 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.899 108.6 52.6 -62.9 -41.9 0.3 81.9 21.7 55 66 C I H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.903 107.4 51.6 -62.3 -40.1 2.4 84.6 23.2 56 67 C K H <>S+ 0 0 71 -4,-2.4 5,-2.7 1,-0.2 4,-0.2 0.888 112.8 46.2 -64.3 -37.4 0.0 87.3 22.0 57 68 C R H ><5S+ 0 0 165 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.935 113.5 47.8 -70.2 -46.5 -2.9 85.4 23.6 58 69 C I H 3<5S+ 0 0 23 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.923 120.5 36.0 -60.8 -47.8 -1.1 84.8 26.9 59 70 C L T 3<5S- 0 0 4 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.317 107.5-122.4 -91.3 10.1 0.1 88.4 27.2 60 71 C N T < 5 + 0 0 118 -3,-0.8 2,-0.2 -4,-0.2 -3,-0.2 0.932 56.7 160.7 49.9 52.3 -3.1 89.9 25.7 61 72 C L < - 0 0 16 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.623 45.3-151.1-103.1 163.2 -1.1 91.7 23.1 62 73 C E S S+ 0 0 149 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.786 82.6 22.5 -97.7 -39.3 -2.1 93.1 19.7 63 74 C K + 0 0 135 -7,-0.1 20,-2.8 2,-0.0 -1,-0.3 -0.940 60.1 148.3-133.3 153.5 1.3 92.6 18.0 64 75 C A E -Q 82 0B 17 -2,-0.3 2,-0.3 18,-0.3 18,-0.2 -0.922 15.4-169.7-172.4 156.1 4.4 90.5 18.3 65 76 C G E -Q 81 0B 15 16,-2.3 16,-2.8 -2,-0.3 2,-0.2 -0.987 15.6-128.6-157.8 148.1 7.0 89.0 16.0 66 77 C H E -Q 80 0B 48 -2,-0.3 2,-0.5 14,-0.3 14,-0.2 -0.645 12.8-137.4-100.6 158.2 9.8 86.6 16.1 67 78 C G S S+ 0 0 3 12,-2.2 23,-0.1 1,-0.3 20,-0.0 -0.953 79.2 8.7-113.4 128.3 13.4 86.9 14.9 68 79 C G S S- 0 0 27 -2,-0.5 -1,-0.3 21,-0.1 25,-0.0 0.971 87.1-115.8 69.2 88.2 15.0 84.0 13.0 69 80 C T - 0 0 95 -3,-0.2 2,-0.4 9,-0.1 -1,-0.1 -0.266 25.5-155.8 -57.1 130.7 12.4 81.4 12.2 70 81 C L - 0 0 4 4,-0.1 -22,-0.6 6,-0.1 6,-0.1 -0.912 25.1-112.2-106.8 137.5 13.0 78.1 13.9 71 82 C D > - 0 0 95 -2,-0.4 3,-1.4 -24,-0.1 -26,-0.2 -0.229 31.9 -99.5 -67.2 159.6 11.4 75.1 12.2 72 83 C P T 3 S+ 0 0 55 0, 0.0 -27,-3.0 0, 0.0 -1,-0.1 0.861 122.7 43.5 -44.1 -50.8 8.5 73.1 13.7 73 84 C K T 3 S+ 0 0 168 -29,-0.2 105,-0.3 -28,-0.1 2,-0.3 0.633 98.3 93.8 -74.9 -15.1 10.7 70.3 15.1 74 85 C V < - 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