==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/RNA 01-NOV-06 2NR0 . COMPND 2 MOLECULE: LEUCYL TRNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.HUR,R.M.STROUD . 1056 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44410.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 19.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 4 0.4 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 . 103 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 1.8 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 3 0 0 4 4 0 0 0 2 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 0 4 4 4 0 12 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 4 4 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 7 A P 0 0 156 0, 0.0 2,-0.0 0, 0.0 68,-0.0 0.000 360.0 360.0 360.0 101.5 29.3 -31.2 65.9 2 8 A P - 0 0 90 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.314 360.0-143.5 -63.2 139.5 31.0 -27.8 65.5 3 9 A V - 0 0 84 64,-0.0 2,-0.4 68,-0.0 66,-0.3 -0.755 7.3-151.9-105.7 154.1 28.8 -24.8 64.6 4 10 A Y E -A 68 0A 79 64,-3.0 64,-2.3 -2,-0.3 2,-0.5 -0.963 3.3-158.3-128.4 142.3 29.6 -21.9 62.4 5 11 A K E +A 67 0A 27 92,-0.5 92,-2.6 -2,-0.4 2,-0.3 -0.971 21.2 172.8-121.9 115.7 28.3 -18.3 62.4 6 12 A I E -AB 66 96A 3 60,-1.8 60,-1.7 -2,-0.5 2,-0.3 -0.902 22.4-135.7-125.6 154.2 28.5 -16.4 59.2 7 13 A A E -AB 65 95A 0 88,-1.7 88,-1.5 -2,-0.3 2,-0.3 -0.767 15.4-161.7-107.2 150.4 27.3 -13.0 58.0 8 14 A L E -AB 64 94A 0 56,-2.9 56,-2.1 -2,-0.3 2,-1.1 -0.983 19.9-136.3-133.3 144.5 25.7 -12.2 54.7 9 15 A G E -A 63 0A 2 84,-1.7 83,-1.1 -2,-0.3 2,-0.3 -0.816 31.0-166.0 -99.8 93.4 25.1 -8.9 52.8 10 16 A I E -AB 62 91A 0 52,-1.1 52,-1.0 -2,-1.1 2,-0.4 -0.663 8.8-174.9 -83.1 136.0 21.6 -9.3 51.6 11 17 A E E + B 0 90A 8 79,-2.6 79,-2.6 -2,-0.3 49,-0.3 -0.996 17.5 160.2-129.7 123.2 20.3 -6.9 48.9 12 18 A Y E -AB 59 89A 3 47,-1.7 47,-1.5 -2,-0.4 2,-0.4 -0.801 40.3-127.0-137.6-177.6 16.7 -7.0 47.9 13 19 A D > - 0 0 35 75,-0.9 3,-1.0 -2,-0.2 45,-0.1 -0.795 10.9-167.8-136.4 91.9 13.7 -5.4 46.3 14 20 A G G > + 0 0 3 -2,-0.4 3,-2.5 1,-0.3 5,-0.2 0.450 60.0 112.5 -59.2 2.2 10.6 -5.3 48.5 15 21 A S G 3 S+ 0 0 50 1,-0.3 -1,-0.3 41,-0.1 222,-0.0 0.935 91.0 24.6 -39.2 -59.9 8.7 -4.2 45.4 16 22 A K G < S+ 0 0 52 -3,-1.0 2,-0.3 2,-0.0 -1,-0.3 -0.036 113.2 88.5-101.3 34.4 6.9 -7.6 45.4 17 23 A Y < - 0 0 12 -3,-2.5 2,-0.5 9,-0.0 39,-0.2 -0.897 69.7-132.0-132.5 161.3 7.2 -8.4 49.1 18 24 A Y S S- 0 0 144 9,-2.1 37,-0.2 1,-0.3 8,-0.1 -0.511 70.9 -77.7-104.8 59.8 5.4 -8.0 52.4 19 25 A G - 0 0 9 -2,-0.5 10,-1.4 -5,-0.2 -1,-0.3 -0.184 54.6 -74.5 80.2-172.7 8.4 -6.9 54.4 20 26 A W S S+ 0 0 4 33,-1.0 10,-1.0 8,-0.2 11,-0.5 0.861 96.5 95.3 -93.2 -44.8 11.2 -8.9 55.9 21 27 A Q S S- 0 0 125 32,-0.4 8,-0.1 9,-0.1 -3,-0.0 -0.318 82.3-117.4 -55.4 115.6 9.6 -10.6 58.9 22 28 A R + 0 0 129 -2,-0.2 5,-0.1 1,-0.1 2,-0.1 0.089 39.0 175.3 -44.6 166.9 8.4 -14.0 57.8 23 29 A Q - 0 0 92 3,-0.3 -1,-0.1 5,-0.1 4,-0.1 -0.065 33.6-123.5-139.3-115.1 4.7 -14.7 57.9 24 30 A N S S+ 0 0 145 2,-0.2 -2,-0.0 -2,-0.1 -1,-0.0 0.050 102.2 43.5-176.2 -44.2 2.6 -17.7 56.8 25 31 A E S S+ 0 0 155 2,-0.1 2,-0.3 1,-0.0 0, 0.0 0.724 114.5 42.6 -90.4 -27.6 0.1 -16.3 54.3 26 32 A V S S- 0 0 38 -8,-0.1 -3,-0.3 1,-0.0 -2,-0.2 -0.803 84.8 -87.6-131.1 169.5 2.5 -14.0 52.4 27 33 A R + 0 0 116 -2,-0.3 -9,-2.1 -11,-0.1 2,-0.4 -0.399 41.3 173.3 -66.2 132.7 5.9 -13.5 50.8 28 34 A S > - 0 0 1 -11,-0.2 4,-2.2 1,-0.2 -8,-0.2 -0.984 37.5-130.3-147.0 132.7 8.7 -12.3 52.9 29 35 A V H > S+ 0 0 1 -10,-1.4 4,-3.5 -2,-0.4 5,-0.3 0.914 109.1 54.1 -43.2 -56.9 12.4 -11.9 52.1 30 36 A Q H > S+ 0 0 35 -10,-1.0 4,-3.6 1,-0.2 5,-0.3 0.937 105.4 52.2 -40.1 -72.0 13.4 -13.7 55.2 31 37 A E H > S+ 0 0 72 -11,-0.5 4,-3.3 1,-0.2 -1,-0.2 0.848 116.7 40.9 -32.8 -56.5 11.2 -16.8 54.4 32 38 A K H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.996 113.5 51.1 -60.4 -64.4 12.8 -16.9 51.1 33 39 A L H X S+ 0 0 0 -4,-3.5 4,-3.4 1,-0.2 -2,-0.2 0.838 118.0 40.5 -39.0 -47.7 16.4 -16.1 52.3 34 40 A E H X>S+ 0 0 21 -4,-3.6 4,-3.3 -5,-0.3 5,-0.5 0.996 108.1 60.8 -65.6 -60.6 16.1 -18.9 54.8 35 41 A K H X5S+ 0 0 97 -4,-3.3 4,-1.3 -5,-0.3 -2,-0.2 0.810 119.9 29.0 -32.3 -46.6 14.2 -21.2 52.5 36 42 A A H <5S+ 0 0 1 -4,-2.6 4,-0.5 2,-0.2 -1,-0.3 0.869 113.2 60.6 -88.8 -40.8 17.3 -21.1 50.3 37 43 A L H >X5S+ 0 0 0 -4,-3.4 4,-1.7 -5,-0.4 3,-0.7 0.913 112.3 43.2 -53.6 -37.8 20.0 -20.5 52.8 38 44 A S H 3X>S+ 0 0 21 -4,-3.3 4,-2.0 1,-0.2 5,-0.6 0.938 99.3 68.3 -72.4 -46.9 19.0 -23.8 54.4 39 45 A Q H 3< - 0 0 42 -35,-0.2 3,-0.9 1,-0.1 2,-0.5 -0.011 45.5 -67.1 -83.4-169.1 9.3 -2.5 56.4 55 61 A A T 3 S+ 0 0 58 1,-0.3 -37,-0.1 -37,-0.2 181,-0.1 -0.717 119.8 9.8 -86.0 125.1 7.0 -3.7 53.6 56 62 A G T 3 S+ 0 0 18 -2,-0.5 2,-0.7 -39,-0.2 183,-0.3 0.750 95.3 136.3 78.2 26.3 7.9 -2.4 50.2 57 63 A V < - 0 0 1 -3,-0.9 -1,-0.2 180,-0.1 180,-0.1 -0.862 47.8-141.0-112.8 103.0 11.2 -1.1 51.6 58 64 A H - 0 0 4 -2,-0.7 183,-2.1 178,-0.4 2,-0.3 -0.082 16.8-165.1 -59.5 155.6 14.2 -1.9 49.5 59 65 A G E +Ad 12 241A 0 -47,-1.5 -47,-1.7 181,-0.3 331,-0.2 -0.992 27.5 159.3-142.6 148.3 17.5 -2.9 50.9 60 66 A T E S+ 0 0 6 181,-1.9 182,-0.2 -2,-0.3 -1,-0.1 0.414 84.8 43.6-143.3 -13.7 21.0 -3.1 49.6 61 67 A G E S+ 0 0 18 180,-2.1 183,-0.3 50,-0.1 -50,-0.2 0.024 77.5 142.8-123.2 24.5 23.1 -3.0 52.7 62 68 A Q E -A 10 0A 0 -52,-1.0 -52,-1.1 179,-0.1 2,-0.4 -0.425 33.0-160.3 -67.0 140.6 21.0 -5.4 54.7 63 69 A V E +A 9 0A 9 -54,-0.2 2,-0.3 40,-0.1 -54,-0.2 -0.984 13.7 171.6-127.6 138.3 23.1 -7.6 56.9 64 70 A V E -A 8 0A 0 -56,-2.1 -56,-2.9 -2,-0.4 2,-0.4 -0.987 13.2-159.7-144.7 153.1 22.2 -11.0 58.5 65 71 A H E +AC 7 48A 4 -17,-1.5 -17,-2.2 -2,-0.3 2,-0.3 -0.986 9.7 177.2-135.5 145.9 23.8 -13.7 60.4 66 72 A F E -A 6 0A 2 -60,-1.7 -60,-1.8 -2,-0.4 2,-0.2 -0.970 24.1-124.8-143.9 153.2 22.9 -17.3 61.0 67 73 A E E +A 5 0A 98 -21,-0.5 -21,-0.3 -2,-0.3 2,-0.3 -0.670 34.3 163.4 -97.8 156.8 24.5 -20.3 62.7 68 74 A T E -A 4 0A 3 -64,-2.3 -64,-3.0 -2,-0.2 -23,-0.0 -0.912 41.6-149.3-173.3 144.8 25.1 -23.6 61.1 69 75 A T S S+ 0 0 57 -2,-0.3 -1,-0.1 -66,-0.3 -64,-0.1 0.812 70.9 108.1 -83.3 -34.6 27.0 -26.8 61.4 70 76 A A - 0 0 9 -29,-0.2 2,-1.0 1,-0.1 -29,-0.1 -0.186 62.8-148.3 -48.8 121.6 27.2 -27.3 57.6 71 77 A L + 0 0 123 -30,-0.1 -1,-0.1 -68,-0.0 2,-0.1 -0.773 23.8 179.9 -99.4 92.7 30.7 -26.6 56.4 72 78 A R - 0 0 77 -2,-1.0 -31,-0.0 1,-0.1 -32,-0.0 -0.346 33.8-118.4 -84.1 169.6 30.3 -25.1 52.9 73 79 A K - 0 0 93 -2,-0.1 -1,-0.1 1,-0.0 0, 0.0 0.988 48.0-103.1 -70.8 -75.4 33.2 -24.0 50.7 74 80 A D S > S+ 0 0 98 21,-0.0 4,-0.8 0, 0.0 -2,-0.0 0.117 111.7 68.5 173.8 -29.8 32.5 -20.3 50.2 75 81 A A T 4>S+ 0 0 56 2,-0.2 5,-2.2 3,-0.1 6,-0.2 0.683 91.2 71.9 -79.7 -20.8 31.0 -19.9 46.8 76 82 A A T 4>S+ 0 0 19 1,-0.2 5,-2.4 3,-0.2 6,-0.3 0.991 94.3 45.4 -56.5 -71.1 28.1 -21.7 48.2 77 83 A W T 45S+ 0 0 15 3,-0.2 5,-0.4 4,-0.1 -1,-0.2 0.842 124.1 43.8 -40.9 -37.6 26.7 -18.9 50.5 78 84 A T T X5S- 0 0 20 -4,-0.8 4,-2.7 3,-0.2 3,-0.4 0.783 135.8 -0.5 -73.8-111.1 27.3 -16.8 47.5 79 85 A L H >5S+ 0 0 47 1,-0.2 4,-3.1 2,-0.2 -3,-0.2 0.905 130.0 64.9 -45.4 -50.2 26.3 -18.1 44.1 80 86 A G H 44< S+ 0 0 8 -4,-2.7 3,-2.2 -5,-0.4 -1,-0.2 0.857 95.8 72.6 -48.0 -32.0 21.6 -16.9 45.2 83 89 A A T 3< S+ 0 0 83 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.825 103.9 35.7 -53.2 -34.3 21.0 -19.9 43.0 84 90 A N T < S+ 0 0 63 -3,-3.0 -1,-0.3 -4,-0.4 -2,-0.2 0.267 101.6 104.1-104.7 15.9 17.8 -20.6 44.8 85 91 A L S < S- 0 0 13 -3,-2.2 2,-0.1 -4,-0.4 6,-0.0 -0.784 75.7-113.3-102.4 137.4 16.9 -17.0 45.3 86 92 A P > - 0 0 53 0, 0.0 3,-3.7 0, 0.0 -2,-0.1 -0.365 39.3-102.8 -64.0 141.5 14.3 -15.1 43.4 87 93 A G T 3 S+ 0 0 36 1,-0.3 305,-0.1 -2,-0.1 3,-0.1 0.666 119.7 60.3 -38.5 -25.0 15.7 -12.3 41.1 88 94 A D T 3 S+ 0 0 31 1,-0.2 -75,-0.9 -76,-0.1 2,-0.5 0.659 103.3 51.0 -84.0 -12.5 14.6 -9.7 43.6 89 95 A I E < +B 12 0A 0 -3,-3.7 2,-0.3 -77,-0.2 -77,-0.2 -0.961 67.8 154.2-129.8 119.2 16.7 -11.0 46.5 90 96 A A E -B 11 0A 0 -79,-2.6 -79,-2.6 -2,-0.5 2,-0.2 -0.921 37.1-113.0-141.2 164.6 20.4 -11.8 46.3 91 97 A V E -B 10 0A 1 -2,-0.3 -81,-0.2 -81,-0.2 3,-0.1 -0.535 15.2-172.5 -91.7 162.1 23.6 -12.0 48.3 92 98 A R E - 0 0 28 -83,-1.1 2,-0.3 1,-0.5 -82,-0.1 0.562 64.8 -26.2-125.8 -21.6 26.6 -9.7 48.0 93 99 A W E - 0 0 34 -84,-0.3 -84,-1.7 -16,-0.1 -1,-0.5 -0.964 50.0-140.4-179.7 170.4 29.2 -11.3 50.2 94 100 A V E +B 8 0A 23 -2,-0.3 2,-0.3 -86,-0.2 -86,-0.2 -0.994 13.4 177.6-152.1 142.5 29.8 -13.6 53.2 95 101 A K E -B 7 0A 77 -88,-1.5 -88,-1.7 -2,-0.3 -21,-0.0 -0.909 28.4-124.3-151.4 119.9 32.3 -13.6 56.1 96 102 A T E -B 6 0A 89 -2,-0.3 -90,-0.3 -90,-0.2 -92,-0.0 -0.158 36.3-171.6 -57.8 156.1 32.6 -16.0 59.0 97 103 A V - 0 0 17 -92,-2.6 -92,-0.5 4,-0.1 2,-0.1 -0.978 23.4 -94.9-151.9 161.8 32.4 -14.3 62.4 98 104 A P > - 0 0 61 0, 0.0 3,-3.3 0, 0.0 -94,-0.0 -0.395 40.8-107.8 -76.5 151.7 32.9 -14.9 66.2 99 105 A D T 3 S+ 0 0 115 1,-0.3 -95,-0.0 -2,-0.1 -2,-0.0 0.822 116.2 71.7 -48.3 -34.4 30.0 -15.7 68.5 100 106 A D T 3 S+ 0 0 92 2,-0.0 -1,-0.3 6,-0.0 2,-0.2 0.668 84.5 90.6 -58.6 -14.4 30.4 -12.2 69.9 101 107 A F < + 0 0 1 -3,-3.3 2,-0.2 -96,-0.1 -4,-0.1 -0.592 47.4 170.1 -87.2 148.1 28.9 -11.0 66.6 102 108 A H >>> - 0 0 49 -2,-0.2 4,-3.8 1,-0.0 5,-0.6 -0.698 32.7-139.8-159.4 97.5 25.2 -10.4 66.1 103 109 A A T 345S+ 0 0 0 1,-0.3 -40,-0.1 -2,-0.2 -1,-0.0 0.628 105.5 31.1 -30.9 -26.4 24.0 -8.6 62.9 104 110 A R T 345S+ 0 0 90 2,-0.1 -1,-0.3 -39,-0.1 -54,-0.1 0.770 127.0 37.2-107.4 -36.2 21.4 -6.8 65.1 105 111 A F T <45S+ 0 0 138 -3,-0.6 -2,-0.2 1,-0.2 -55,-0.1 0.636 114.1 54.2 -93.1 -13.6 23.0 -6.5 68.4 106 112 A S T <5S+ 0 0 16 -4,-3.8 -1,-0.2 140,-0.0 -3,-0.2 0.609 82.1 115.8 -91.7 -11.7 26.5 -5.8 67.2 107 113 A A < - 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