==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-APR-08 3CRW . COMPND 2 MOLECULE: XPD/RAD3 RELATED DNA HELICASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS ACIDOCALDARIUS; . AUTHOR L.FAN,A.S.ARVAI,J.A.TAINER . 485 5 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.9 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 . 1 0.2 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 . 57 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 5 1 2 1 5 1 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 7 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 . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 9 1 E 0 0 148 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-105.9 2.1 3.7 55.3 2 10 1 K >> + 0 0 140 1,-0.1 3,-1.9 2,-0.1 4,-0.9 0.868 360.0 64.4 -79.6 -41.5 4.1 2.3 52.4 3 11 1 L H 3> S+ 0 0 16 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.874 77.4 82.1 -44.6 -54.6 5.9 5.7 52.1 4 12 1 K H 3> S+ 0 0 101 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.610 104.0 35.3 -29.9 -21.1 7.5 5.4 55.6 5 13 1 D H <> S+ 0 0 99 -3,-1.9 4,-3.7 2,-0.2 5,-0.4 0.834 109.1 57.0-101.7 -56.7 10.1 3.3 53.7 6 14 1 K H X S+ 0 0 89 -4,-0.9 4,-1.1 1,-0.2 -2,-0.2 0.804 119.3 41.2 -45.6 -28.5 10.4 4.9 50.3 7 15 1 V H X S+ 0 0 2 -4,-2.7 4,-3.3 2,-0.2 5,-0.2 0.943 112.1 47.5 -85.7 -59.7 11.2 7.9 52.5 8 16 1 I H X S+ 0 0 15 -4,-0.8 4,-1.9 -5,-0.3 5,-0.2 0.849 115.4 51.5 -52.9 -32.9 13.5 6.5 55.3 9 17 1 E H X S+ 0 0 78 -4,-3.7 4,-2.9 2,-0.2 -1,-0.2 0.956 111.4 45.8 -67.2 -50.3 15.3 4.8 52.5 10 18 1 G H <>S+ 0 0 0 -4,-1.1 5,-2.8 -5,-0.4 -2,-0.2 0.907 111.5 50.8 -59.8 -47.7 15.7 8.1 50.6 11 19 1 L H ><5S+ 0 0 6 -4,-3.3 3,-2.7 2,-0.2 -1,-0.2 0.983 116.9 39.1 -54.9 -61.0 16.8 10.0 53.6 12 20 1 R H 3<5S+ 0 0 170 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.889 112.9 58.0 -54.2 -39.4 19.5 7.5 54.5 13 21 1 N T 3<5S- 0 0 92 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.447 119.3-120.7 -69.3 -3.0 20.1 7.2 50.8 14 22 1 N T < 5 + 0 0 54 -3,-2.7 -3,-0.2 1,-0.2 2,-0.2 0.576 63.2 142.0 73.0 14.7 20.7 11.0 51.0 15 23 1 F < - 0 0 68 -5,-2.8 2,-0.3 -6,-0.1 241,-0.3 -0.576 58.0-111.9 -82.7 150.4 18.1 12.2 48.6 16 24 1 L E -a 279 0A 0 262,-3.4 264,-2.7 -2,-0.2 2,-0.5 -0.641 38.2-137.6 -77.1 139.1 16.2 15.5 49.6 17 25 1 V E -ab 280 257A 0 239,-2.4 241,-3.9 -2,-0.3 2,-0.4 -0.889 22.2-175.9-113.4 130.5 12.6 14.6 50.4 18 26 1 A E -ab 281 258A 0 262,-2.0 264,-2.3 -2,-0.5 2,-0.4 -0.938 6.3-167.3-116.8 137.9 9.5 16.4 49.4 19 27 1 L E -ab 282 259A 11 239,-2.7 241,-1.8 -2,-0.4 2,-1.1 -0.982 12.8-159.5-131.1 121.6 6.0 15.3 50.6 20 28 1 N E +ab 283 260A 18 262,-2.1 264,-1.3 -2,-0.4 265,-0.4 -0.784 28.0 167.7 -99.7 88.6 2.7 16.6 49.2 21 29 1 A - 0 0 8 239,-1.8 3,-0.1 -2,-1.1 4,-0.1 -0.928 30.4-125.8-109.6 123.1 0.4 15.8 52.1 22 30 1 P - 0 0 8 0, 0.0 3,-0.4 0, 0.0 5,-0.3 -0.051 47.4 -63.6 -59.8 161.6 -3.2 17.3 52.0 23 31 1 T S S- 0 0 34 1,-0.2 432,-0.1 2,-0.1 429,-0.0 -0.126 120.0 -0.6 -48.6 138.1 -4.7 19.3 54.9 24 32 1 G S S+ 0 0 24 1,-0.1 -1,-0.2 -3,-0.1 431,-0.1 0.929 87.1 139.9 40.6 67.6 -5.0 17.3 58.1 25 33 1 S S S- 0 0 40 -3,-0.4 -1,-0.1 -4,-0.1 -2,-0.1 0.368 79.9 -96.3-116.5 -1.1 -3.6 14.2 56.5 26 34 1 G S >> S+ 0 0 44 -4,-0.1 4,-1.1 -5,-0.1 3,-0.6 0.252 78.5 143.6 102.3 -11.0 -1.6 13.1 59.5 27 35 1 K H >> + 0 0 65 -5,-0.3 3,-1.6 1,-0.2 4,-0.8 0.769 59.0 52.9 -20.6 -86.6 1.6 14.7 58.0 28 36 1 T H 3> S+ 0 0 22 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.754 107.2 51.4 -23.5 -66.1 3.4 16.0 61.1 29 37 1 L H <> S+ 0 0 68 -3,-0.6 4,-2.2 1,-0.2 -1,-0.3 0.861 102.0 63.2 -46.5 -46.5 3.4 12.7 63.0 30 38 1 F H < S+ 0 0 2 -4,-2.9 3,-0.7 1,-0.2 -1,-0.2 0.708 107.7 55.1 -65.7 -24.2 10.5 8.5 60.4 35 43 1 S H >X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 3,-1.9 0.888 101.2 57.7 -76.9 -38.2 13.0 11.0 61.7 36 44 1 L T 3< S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.1 -0.096 106.2 53.6 -81.9 38.1 13.7 9.0 64.8 37 45 1 E T <4 S+ 0 0 113 -3,-0.7 -1,-0.3 -2,-0.6 -2,-0.2 0.093 114.7 36.5-151.4 10.5 14.6 6.2 62.5 38 46 1 V T <4 S+ 0 0 30 -3,-1.9 -2,-0.2 1,-0.5 -3,-0.1 0.490 124.7 7.4-138.1 -31.5 17.2 8.1 60.4 39 47 1 K < - 0 0 51 -4,-2.2 -1,-0.5 1,-0.2 78,-0.1 -0.989 65.8-116.8-156.9 153.8 18.9 10.3 62.9 40 48 1 P S S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 76,-0.1 0.970 95.1 37.8 -52.2 -86.0 19.2 11.0 66.6 41 49 1 K E S-c 116 0A 44 74,-1.0 76,-1.5 49,-0.0 2,-0.4 -0.303 72.1-150.8 -72.0 151.6 17.9 14.6 67.0 42 50 1 V E -cd 117 92A 0 49,-2.3 51,-1.6 74,-0.3 2,-0.4 -0.988 5.1-158.2-128.9 124.0 15.0 16.0 65.0 43 51 1 L E -cd 118 93A 1 74,-2.0 76,-2.5 -2,-0.4 2,-0.5 -0.842 0.7-159.9-104.8 138.8 14.6 19.6 64.0 44 52 1 F E -cd 119 94A 8 49,-1.2 51,-3.4 -2,-0.4 2,-0.7 -0.958 1.9-167.4-119.1 114.8 11.3 21.3 63.0 45 53 1 V E +cd 120 95A 0 74,-2.3 76,-3.0 -2,-0.5 2,-0.3 -0.901 21.3 179.1-104.2 113.1 11.3 24.5 61.1 46 54 1 V E - d 0 96A 5 49,-2.6 51,-2.1 -2,-0.7 76,-0.1 -0.813 40.1-117.2-119.0 158.2 7.8 26.0 61.1 47 55 1 R S S- 0 0 32 -2,-0.3 2,-0.2 49,-0.2 50,-0.1 0.936 91.6 -7.2 -51.1 -60.6 6.0 29.1 59.8 48 56 1 T S S- 0 0 41 48,-0.1 3,-0.4 49,-0.1 4,-0.3 -0.808 77.8 -90.4-135.4 177.1 5.1 30.5 63.2 49 57 1 H S > S+ 0 0 76 -2,-0.2 3,-0.6 1,-0.2 4,-0.1 0.633 114.6 71.5 -63.2 -15.1 5.1 29.8 66.9 50 58 1 N G > S+ 0 0 83 1,-0.2 3,-2.2 2,-0.1 -1,-0.2 0.971 82.0 64.1 -66.6 -58.0 1.6 28.3 66.5 51 59 1 E G 3 S+ 0 0 10 -3,-0.4 4,-0.4 1,-0.3 -1,-0.2 0.659 80.9 90.5 -41.6 -19.8 2.6 25.1 64.6 52 60 1 F G <> S+ 0 0 20 -3,-0.6 4,-1.7 -4,-0.3 3,-0.5 0.737 77.8 59.7 -53.2 -28.0 4.5 24.2 67.8 53 61 1 Y H <> S+ 0 0 131 -3,-2.2 4,-2.6 1,-0.2 5,-0.3 0.960 93.2 58.0 -71.9 -52.6 1.4 22.4 69.2 54 62 1 P H > S+ 0 0 53 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.631 111.1 53.2 -54.7 -4.4 0.9 19.7 66.6 55 63 1 I H > S+ 0 0 3 -3,-0.5 4,-3.0 -4,-0.4 5,-0.3 0.894 106.8 42.9 -86.8 -79.2 4.4 18.9 67.6 56 64 1 Y H X S+ 0 0 112 -4,-1.7 4,-3.1 1,-0.2 5,-0.2 0.803 119.1 49.6 -34.2 -44.9 4.2 18.5 71.4 57 65 1 R H X S+ 0 0 133 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.997 115.9 36.8 -62.9 -67.1 1.0 16.6 70.9 58 66 1 D H < S+ 0 0 38 -4,-0.8 -2,-0.2 -5,-0.3 -1,-0.2 0.699 121.6 53.4 -59.3 -17.7 2.2 14.1 68.2 59 67 1 L H < S+ 0 0 5 -4,-3.0 3,-0.3 1,-0.1 -1,-0.2 0.873 100.8 53.7 -84.4 -44.7 5.5 14.1 70.2 60 68 1 T H < S+ 0 0 88 -4,-3.1 2,-1.3 -5,-0.3 -2,-0.2 0.801 98.2 70.7 -61.5 -28.5 4.2 13.3 73.7 61 69 1 K S < S+ 0 0 179 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.3 -0.345 76.8 111.4 -86.7 54.4 2.5 10.3 72.1 62 70 1 I - 0 0 27 -2,-1.3 -3,-0.0 -3,-0.3 -4,-0.0 -0.991 59.7-143.8-134.4 127.5 5.8 8.5 71.5 63 71 1 R 0 0 235 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.950 360.0 360.0 -47.9 -92.0 7.0 5.3 73.3 64 72 1 E 0 0 165 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.924 360.0 360.0 -52.7 360.0 10.8 5.6 73.7 65 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 66 76 1 I 0 0 56 0, 0.0 2,-0.6 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 55.8 12.1 12.4 73.6 67 77 1 T - 0 0 76 22,-0.1 25,-1.8 2,-0.0 24,-1.7 -0.787 360.0-150.6 -90.7 122.2 12.7 15.8 75.3 68 78 1 F E -e 92 0A 52 -2,-0.6 2,-0.2 22,-0.2 25,-0.2 -0.543 9.2-163.3 -90.7 157.6 11.2 18.7 73.4 69 79 1 S E -e 93 0A 15 23,-1.0 25,-1.3 -2,-0.2 21,-0.1 -0.723 8.9-161.4-144.5 90.0 12.4 22.3 73.4 70 80 1 F - 0 0 147 -2,-0.2 2,-0.2 23,-0.2 25,-0.1 0.052 3.4-156.1 -59.2 175.9 10.1 25.0 72.2 71 81 1 L - 0 0 24 -22,-0.1 2,-0.2 22,-0.1 3,-0.1 -0.623 6.3-169.1-165.0 100.5 11.3 28.4 71.1 72 82 1 V - 0 0 60 1,-0.2 24,-0.0 -2,-0.2 23,-0.0 -0.622 45.3 -75.5 -89.6 148.8 9.3 31.7 71.0 73 83 1 G - 0 0 3 -2,-0.2 -1,-0.2 1,-0.1 0, 0.0 0.127 40.4-112.8 -39.7 154.8 10.6 34.8 69.3 74 84 1 K S > S+ 0 0 91 1,-0.2 4,-0.7 3,-0.1 3,-0.4 0.840 116.1 51.6 -61.8 -34.7 13.3 36.9 71.0 75 85 1 P T >4 S+ 0 0 56 0, 0.0 2,-2.1 0, 0.0 3,-0.8 0.933 99.7 60.9 -69.9 -46.0 10.8 39.8 71.6 76 86 1 S T 34 S+ 0 0 94 1,-0.2 -4,-0.1 0, 0.0 -2,-0.1 -0.317 107.6 45.8 -79.9 56.9 8.0 37.7 73.2 77 87 1 S T 34 + 0 0 60 -2,-2.1 -1,-0.2 -3,-0.4 -3,-0.1 0.340 63.0 140.4-162.5 -29.9 10.3 36.7 76.1 78 88 1 C << 0 0 97 -3,-0.8 -4,-0.0 -4,-0.7 0, 0.0 0.003 360.0 360.0 -34.8 93.5 12.2 39.8 77.4 79 89 1 L 0 0 215 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.574 360.0 360.0 -73.9 360.0 12.0 39.1 81.2 80 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 81 96 1 E 0 0 114 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 94.3 11.8 42.8 67.5 82 97 1 S 0 0 19 1,-0.2 0, 0.0 -6,-0.0 0, 0.0 0.417 360.0 360.0 -63.9 5.2 14.4 40.1 68.3 83 98 1 E 0 0 71 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.642 360.0 360.0-103.4 360.0 16.8 43.0 67.9 84 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 85 144 1 N > 0 0 169 0, 0.0 2,-2.4 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -34.4 18.4 28.3 77.1 86 145 1 S T 3 + 0 0 77 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.270 360.0 113.6 -76.2 52.6 18.0 24.6 77.9 87 146 1 L T > + 0 0 25 -2,-2.4 3,-2.8 1,-0.1 -1,-0.2 0.939 57.8 60.2 -88.2 -61.4 17.8 23.9 74.2 88 147 1 Y T < S+ 0 0 141 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.561 96.2 67.7 -47.4 -11.4 20.8 21.8 73.3 89 148 1 K T 3 S+ 0 0 145 -21,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.363 82.6 104.4 -92.8 3.7 19.6 19.1 75.7 90 149 1 A < - 0 0 4 -3,-2.8 3,-0.2 1,-0.1 -22,-0.2 -0.635 57.4-158.7 -93.9 146.8 16.6 18.3 73.5 91 150 1 D S S+ 0 0 67 -24,-1.7 -49,-2.3 1,-0.3 2,-0.4 0.829 92.4 25.9 -83.1 -39.9 16.1 15.3 71.3 92 151 1 V E S+de 42 68A 0 -25,-1.8 -23,-1.0 -51,-0.2 -1,-0.3 -0.980 75.0 177.8-130.4 118.2 13.5 17.2 69.2 93 152 1 I E -de 43 69A 1 -51,-1.6 -49,-1.2 -2,-0.4 2,-0.4 -0.705 15.5-146.2-114.4 169.3 13.4 21.0 69.0 94 153 1 A E +d 44 0A 0 -25,-1.3 2,-0.2 -2,-0.2 -49,-0.2 -0.978 18.9 173.6-140.7 125.5 11.2 23.3 67.0 95 154 1 L E -d 45 0A 0 -51,-3.4 -49,-2.6 -2,-0.4 2,-0.3 -0.663 29.2-112.7-121.3 175.4 12.1 26.7 65.4 96 155 1 T E > -d 46 0A 6 -51,-0.2 3,-1.0 -2,-0.2 4,-0.4 -0.830 47.1 -90.2-108.5 151.9 10.5 29.3 63.2 97 156 1 Y T >> S+ 0 0 12 -51,-2.1 3,-2.1 -2,-0.3 4,-2.0 0.752 121.7 54.7 -24.3 -62.4 11.6 30.0 59.6 98 157 1 P H 3> S+ 0 0 26 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.875 96.0 61.6 -45.9 -54.2 14.2 32.6 60.6 99 158 1 Y H <4 S+ 0 0 10 -3,-1.0 10,-0.2 1,-0.2 -2,-0.2 0.539 119.2 31.9 -56.5 -1.5 16.2 30.6 63.2 100 159 1 F H <4 S+ 0 0 0 -3,-2.1 -1,-0.2 -4,-0.4 -3,-0.1 0.617 126.4 35.6-124.2 -30.7 17.0 28.3 60.2 101 160 1 F H < S+ 0 0 7 -4,-2.0 2,-0.9 -3,-0.2 -2,-0.2 0.741 92.9 85.9-100.7 -26.0 17.1 30.5 57.1 102 161 1 I >X - 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