==== 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 LYASE 06-APR-04 1SZW . COMPND 2 MOLECULE: TRNA PSEUDOURIDINE SYNTHASE D; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR U.B.ERICSSON,P.NORDLUND,B.M.HALLBERG,STRUCTURAL PROTEOMICS I . 664 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 454 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 45 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 1 4 3 1 1 0 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 PARALLEL BRIDGES PER LADDER . 2 2 6 2 0 4 0 5 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 . 4 2 0 0 0 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 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 72 0, 0.0 2,-0.2 0, 0.0 272,-0.1 0.000 360.0 360.0 360.0 133.9 27.3 51.2 -32.2 2 2 A I - 0 0 44 193,-0.1 2,-0.1 1,-0.1 5,-0.1 -0.465 360.0-123.1 -58.8 127.0 30.4 49.1 -32.6 3 3 A E >> - 0 0 134 -2,-0.2 3,-1.3 1,-0.1 4,-0.5 -0.456 19.3-112.9 -71.8 150.8 29.3 45.4 -32.8 4 4 A F G >4 S+ 0 0 55 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.926 117.1 51.6 -48.8 -52.0 30.8 43.0 -30.2 5 5 A D G 34 S+ 0 0 94 1,-0.3 -1,-0.3 330,-0.0 330,-0.0 0.681 109.2 51.9 -65.2 -17.8 32.7 41.1 -32.9 6 6 A N G <4 S+ 0 0 110 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.370 76.9 128.9 -97.9 -4.2 34.2 44.4 -34.2 7 7 A L S << S- 0 0 5 -3,-1.9 192,-0.1 -4,-0.5 -3,-0.0 -0.314 72.8 -95.2 -48.7 130.8 35.5 45.6 -30.8 8 8 A T - 0 0 31 191,-0.1 2,-0.4 1,-0.1 -1,-0.1 -0.278 35.7-136.1 -53.6 135.0 39.1 46.6 -31.2 9 9 A Y - 0 0 42 1,-0.1 3,-0.3 -3,-0.1 4,-0.1 -0.794 3.4-151.0 -92.4 135.8 41.8 43.9 -30.2 10 10 A L S S+ 0 0 34 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.850 102.9 28.6 -71.6 -35.5 44.8 44.9 -28.1 11 11 A H S S- 0 0 31 1,-0.3 -1,-0.2 143,-0.0 139,-0.0 0.148 124.5-102.3-107.1 8.7 47.0 42.1 -29.6 12 12 A G - 0 0 34 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.178 57.6 -49.8 73.4 159.7 45.1 42.1 -32.9 13 13 A K S S- 0 0 125 -4,-0.1 317,-0.1 1,-0.1 320,-0.1 -0.388 74.3 -95.6 -64.1 136.0 42.6 39.5 -33.9 14 14 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 318,-0.1 -0.132 17.8-140.8 -53.0 143.4 43.9 36.0 -33.4 15 15 A Q S S+ 0 0 149 316,-0.2 2,-0.3 125,-0.1 128,-0.1 -0.167 80.5 32.1 -95.7 40.4 45.4 33.9 -36.2 16 16 A G S S- 0 0 10 127,-0.1 317,-2.4 123,-0.0 2,-0.2 -0.973 70.4-124.6-177.5 170.7 43.8 30.6 -35.1 17 17 A T B +a 333 0A 72 -2,-0.3 122,-2.2 315,-0.2 123,-0.4 -0.705 22.8 160.4-117.6 174.9 40.8 29.0 -33.6 18 18 A G - 0 0 7 315,-1.3 2,-0.5 -2,-0.2 119,-0.2 -0.962 37.9 -87.4-171.9-171.9 39.8 26.7 -30.8 19 19 A L B -B 136 0B 67 117,-2.7 117,-1.9 -2,-0.3 2,-0.4 -0.932 29.6-167.0-113.4 127.3 36.9 25.5 -28.5 20 20 A L S S- 0 0 38 -2,-0.5 115,-0.1 115,-0.2 7,-0.1 -0.906 73.7 -1.7-108.4 138.2 35.9 27.1 -25.2 21 21 A K S S+ 0 0 85 5,-0.4 -1,-0.2 -2,-0.4 6,-0.1 0.801 71.0 158.1 55.1 39.0 33.6 25.4 -22.8 22 22 A A S S+ 0 0 48 112,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.760 77.0 9.0 -63.2 -28.7 33.0 22.3 -25.0 23 23 A N S > S- 0 0 99 1,-0.1 3,-1.8 59,-0.0 -1,-0.1 -0.958 86.5-108.0-144.7 157.7 32.0 20.5 -21.8 24 24 A P G > S+ 0 0 27 0, 0.0 3,-1.8 0, 0.0 60,-1.2 0.860 115.9 61.4 -59.1 -38.8 31.5 21.9 -18.2 25 25 A E G 3 S+ 0 0 114 1,-0.3 3,-0.2 58,-0.2 58,-0.1 0.622 94.2 65.3 -60.0 -17.3 34.7 20.3 -16.8 26 26 A D G < S+ 0 0 6 -3,-1.8 108,-1.9 1,-0.2 -5,-0.4 0.347 103.5 49.3 -82.1 3.7 36.7 22.5 -19.4 27 27 A F E < S+C 133 0C 19 -3,-1.8 57,-2.7 106,-0.2 2,-0.5 -0.761 70.5 173.2-149.5 91.3 35.5 25.6 -17.5 28 28 A V E -Cd 132 84C 34 104,-2.8 104,-2.5 -2,-0.3 2,-0.5 -0.927 8.0-171.3-110.8 126.1 36.0 25.5 -13.8 29 29 A V E -Cd 131 85C 12 55,-2.6 57,-2.9 -2,-0.5 2,-0.6 -0.982 6.6-166.1-122.2 123.1 35.3 28.6 -11.6 30 30 A V E -Cd 130 86C 42 100,-3.2 100,-2.2 -2,-0.5 57,-0.1 -0.915 24.3-132.6-107.2 114.2 36.2 28.8 -7.9 31 31 A E E -C 129 0C 4 55,-2.0 2,-0.6 -2,-0.6 98,-0.2 -0.418 12.4-151.3 -73.0 145.3 34.5 31.8 -6.3 32 32 A D E -C 128 0C 48 96,-2.4 95,-2.6 1,-0.1 96,-1.7 -0.939 13.7-174.1-123.3 105.5 36.5 34.1 -4.0 33 33 A L - 0 0 9 -2,-0.6 -1,-0.1 2,-0.3 3,-0.1 0.782 41.1-125.8 -61.6 -36.0 34.7 35.9 -1.2 34 34 A G S S+ 0 0 37 1,-0.3 2,-0.3 92,-0.1 -1,-0.1 0.384 84.5 52.1 96.9 -2.0 37.8 38.0 -0.4 35 35 A F S S- 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.3 -0.954 83.9-109.7-152.8 162.7 37.6 36.8 3.3 36 36 A E - 0 0 154 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.758 53.8 -84.7 -92.1 151.5 37.4 33.6 5.3 37 37 A P - 0 0 24 0, 0.0 80,-0.2 0, 0.0 79,-0.1 -0.295 34.0-123.3 -50.0 137.2 34.1 32.9 7.2 38 38 A D - 0 0 73 2,-0.2 79,-0.2 77,-0.1 3,-0.1 0.748 32.0-131.4 -52.0 -31.2 33.8 34.6 10.6 39 39 A G S S+ 0 0 56 77,-2.7 2,-0.3 1,-0.2 78,-0.2 0.582 81.9 57.7 82.2 10.0 33.2 31.2 12.3 40 40 A E + 0 0 111 76,-0.4 -1,-0.2 75,-0.1 -2,-0.2 -0.956 66.2 76.5-156.2 166.1 30.3 32.7 14.2 41 41 A G S S- 0 0 28 -2,-0.3 77,-0.2 75,-0.1 76,-0.1 -0.446 83.8 -67.4 113.3 176.2 26.9 34.5 13.4 42 42 A E S S+ 0 0 87 76,-0.4 51,-2.3 -2,-0.1 2,-0.3 0.491 103.7 78.9 -85.5 -4.3 23.4 33.6 12.2 43 43 A H E -EF 92 117C 16 74,-2.1 74,-2.4 49,-0.2 2,-0.6 -0.803 64.1-148.8-104.5 141.8 24.4 32.6 8.6 44 44 A I E -EF 91 116C 0 47,-2.5 47,-2.7 -2,-0.3 2,-0.5 -0.979 12.0-154.3-102.3 119.5 26.0 29.4 7.4 45 45 A L E -EF 90 115C 2 70,-3.2 70,-1.9 -2,-0.6 2,-0.4 -0.849 15.4-172.7 -88.1 130.0 28.2 29.9 4.4 46 46 A V E -EF 89 114C 1 43,-3.0 43,-3.0 -2,-0.5 2,-0.6 -0.984 16.4-149.8-130.0 121.6 28.4 26.7 2.3 47 47 A R E -EF 88 113C 26 66,-2.9 65,-3.5 -2,-0.4 66,-1.1 -0.821 22.7-174.3 -87.9 115.9 30.8 26.1 -0.6 48 48 A I E -EF 87 111C 2 39,-2.6 39,-2.4 -2,-0.6 2,-0.6 -0.960 21.3-141.3-117.5 126.8 29.2 23.8 -3.1 49 49 A L E -EF 86 110C 35 61,-3.1 61,-2.0 -2,-0.5 2,-0.5 -0.716 27.8-167.6 -77.7 123.1 30.7 22.3 -6.2 50 50 A K E +EF 85 109C 2 35,-3.3 35,-1.7 -2,-0.6 2,-0.4 -0.957 20.0 168.5-126.2 139.3 28.1 22.2 -8.9 51 51 A N S S+ 0 0 50 57,-1.6 33,-0.1 -2,-0.5 30,-0.1 -0.930 71.3 12.8-146.0 101.8 28.1 20.5 -12.3 52 52 A G S S+ 0 0 45 29,-0.4 2,-0.3 31,-0.4 29,-0.2 0.608 108.1 64.8 105.9 18.4 25.0 20.3 -14.3 53 53 A C S S- 0 0 13 27,-0.3 -1,-0.3 55,-0.1 2,-0.1 -0.973 74.5 -99.8-154.2 173.5 22.5 22.7 -12.7 54 54 A N > - 0 0 64 -2,-0.3 4,-1.5 -3,-0.1 26,-0.2 -0.447 33.2-108.6 -92.8 167.6 21.9 26.3 -12.0 55 55 A T H > S+ 0 0 0 24,-1.3 4,-2.0 1,-0.2 5,-0.1 0.846 116.0 52.3 -62.3 -38.6 22.4 28.4 -8.8 56 56 A R H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 105.9 55.5 -67.9 -36.0 18.7 28.8 -8.0 57 57 A F H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.902 110.9 42.9 -65.4 -43.0 18.1 25.1 -8.3 58 58 A V H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.891 113.1 52.7 -68.4 -41.2 20.8 24.3 -5.6 59 59 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 108.6 50.5 -67.2 -35.9 19.7 27.1 -3.4 60 60 A D H X S+ 0 0 60 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.925 112.3 47.3 -62.0 -46.5 16.1 25.8 -3.5 61 61 A A H X S+ 0 0 22 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.837 110.9 51.1 -68.8 -28.1 17.3 22.3 -2.6 62 62 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 108.9 52.2 -73.8 -42.7 19.5 23.7 0.3 63 63 A A H <>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.5 0.950 111.1 47.2 -50.5 -54.2 16.4 25.6 1.6 64 64 A K H ><5S+ 0 0 115 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.870 110.1 51.7 -58.4 -43.9 14.4 22.4 1.6 65 65 A F H 3<5S+ 0 0 78 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.856 114.1 43.8 -63.8 -36.7 17.1 20.4 3.3 66 66 A L T 3<5S- 0 0 28 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.489 109.2-126.2 -84.7 -2.5 17.4 23.0 6.1 67 67 A K T < 5 + 0 0 184 -3,-0.9 2,-0.3 -4,-0.5 -3,-0.2 0.856 68.2 127.6 53.3 40.7 13.6 23.3 6.4 68 68 A I < - 0 0 38 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.843 69.5 -87.9-117.3 160.4 13.8 27.0 5.9 69 69 A H > - 0 0 127 -2,-0.3 3,-1.4 1,-0.1 4,-0.1 -0.284 38.8-116.3 -59.0 146.7 12.0 29.3 3.4 70 70 A A G > S+ 0 0 29 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.792 111.2 64.5 -57.7 -33.6 13.7 29.7 -0.1 71 71 A R G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -8,-0.0 -2,-0.0 0.678 88.7 69.6 -67.7 -17.6 14.3 33.5 0.4 72 72 A E G < S+ 0 0 56 -3,-1.4 20,-1.6 20,-0.1 2,-0.5 0.535 85.3 79.4 -82.5 -2.6 16.6 32.7 3.3 73 73 A V E < +G 91 0C 5 -3,-1.7 2,-0.3 18,-0.2 18,-0.2 -0.922 63.3 174.9-107.8 124.6 19.2 31.3 1.0 74 74 A S E +G 90 0C 11 16,-2.5 16,-2.0 -2,-0.5 2,-0.3 -0.803 8.8 167.4-127.1 168.2 21.4 33.9 -0.8 75 75 A F E -G 89 0C 24 -2,-0.3 14,-0.1 14,-0.2 50,-0.1 -0.926 45.6 -92.9-166.0 176.9 24.4 34.0 -3.2 76 76 A A S S- 0 0 10 12,-0.5 48,-2.5 1,-0.3 2,-0.3 0.810 91.2 -32.0 -77.0 -33.9 26.4 36.3 -5.5 77 77 A G - 0 0 11 46,-0.2 2,-0.3 47,-0.1 -1,-0.3 -0.892 67.7 -87.2 173.6 155.8 24.7 35.6 -8.8 78 78 A Q - 0 0 99 -2,-0.3 2,-0.4 -3,-0.1 -24,-0.0 -0.607 39.4-168.6 -92.6 133.4 23.0 32.9 -10.7 79 79 A K - 0 0 78 -2,-0.3 -24,-1.3 1,-0.0 -23,-0.1 -0.986 13.9-131.3-133.7 130.8 25.2 30.5 -12.8 80 80 A D > - 0 0 84 -2,-0.4 3,-0.6 -26,-0.2 -27,-0.3 0.073 29.2 -96.6 -84.7-172.1 23.9 28.1 -15.4 81 81 A K T 3 S+ 0 0 123 1,-0.2 -29,-0.4 -29,-0.2 -27,-0.1 0.445 101.0 86.6 -85.9 1.7 24.7 24.5 -15.9 82 82 A H T 3 S+ 0 0 106 -31,-0.1 2,-0.3 -30,-0.1 -1,-0.2 0.605 88.8 38.7 -90.5 -14.1 27.3 25.1 -18.6 83 83 A A S < S- 0 0 8 -3,-0.6 2,-0.7 -58,-0.1 -31,-0.4 -0.858 84.3-109.6-123.5 161.6 30.4 25.5 -16.4 84 84 A V E -d 28 0C 9 -57,-2.7 -55,-2.6 -60,-1.2 2,-0.4 -0.883 41.8-175.6 -90.7 120.9 31.7 23.9 -13.2 85 85 A T E -dE 29 50C 5 -35,-1.7 -35,-3.3 -2,-0.7 2,-1.0 -0.949 31.2-153.4-119.9 128.9 31.4 26.3 -10.3 86 86 A E E -dE 30 49C 49 -57,-2.9 -55,-2.0 -2,-0.4 2,-0.3 -0.847 41.9-174.4 -87.8 93.3 32.5 26.0 -6.7 87 87 A Q E - E 0 48C 0 -39,-2.4 -39,-2.6 -2,-1.0 2,-0.5 -0.686 24.1-128.9-102.3 138.7 29.9 28.5 -5.6 88 88 A W E - E 0 47C 8 -2,-0.3 -12,-0.5 -41,-0.2 2,-0.3 -0.760 25.8-173.7 -83.1 128.8 29.3 30.0 -2.2 89 89 A L E -GE 75 46C 1 -43,-3.0 -43,-3.0 -2,-0.5 2,-0.4 -0.824 9.8-150.7-114.6 164.8 25.8 29.9 -0.7 90 90 A C E -GE 74 45C 0 -16,-2.0 -16,-2.5 -2,-0.3 2,-0.5 -0.977 9.3-171.7-141.9 114.8 24.5 31.5 2.5 91 91 A A E -GE 73 44C 1 -47,-2.7 -47,-2.5 -2,-0.4 2,-0.7 -0.947 20.6-136.1-112.8 127.6 21.6 30.1 4.7 92 92 A R E + E 0 43C 89 -20,-1.6 -49,-0.2 -2,-0.5 -50,-0.1 -0.721 37.7 156.0 -80.0 113.1 20.1 32.0 7.6 93 93 A V - 0 0 33 -51,-2.3 -2,-0.1 -2,-0.7 4,-0.1 -0.834 35.9-133.9-138.8 99.2 19.7 29.5 10.5 94 94 A P + 0 0 75 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.019 60.7 32.1 -56.9 158.2 19.6 31.2 13.9 95 95 A G S S- 0 0 48 1,-0.2 -2,-0.1 3,-0.0 -54,-0.1 -0.457 92.9 -74.4 89.8-165.0 21.6 30.1 17.0 96 96 A K S S+ 0 0 192 -2,-0.2 2,-0.2 -56,-0.1 -1,-0.2 0.272 86.1 107.5-124.2 6.6 24.9 28.4 17.4 97 97 A E - 0 0 159 -3,-0.3 -4,-0.0 -4,-0.1 0, 0.0 -0.535 60.3-135.5 -79.3 157.3 24.3 24.8 16.3 98 98 A X - 0 0 87 -2,-0.2 2,-0.1 18,-0.0 -2,-0.0 -0.959 11.7-138.2-116.7 118.4 25.7 23.5 13.0 99 99 A P - 0 0 35 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.415 33.2-103.4 -66.0 147.5 23.5 21.4 10.8 100 100 A D > + 0 0 91 1,-0.2 3,-1.5 -2,-0.1 4,-0.1 -0.558 47.5 171.2 -76.6 84.2 25.3 18.5 9.2 101 101 A L G > + 0 0 0 -2,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.694 69.0 74.2 -70.9 -16.7 25.7 20.0 5.8 102 102 A S G 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 9,-0.2 0.705 90.9 57.5 -67.0 -21.6 28.0 17.1 4.8 103 103 A A G < S+ 0 0 55 -3,-1.5 2,-0.5 2,-0.0 -1,-0.2 0.433 79.2 111.5 -86.0 -4.3 24.8 14.9 4.7 104 104 A F < - 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