==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-AUG-08 2ZQB . COMPND 2 MOLECULE: RIBONUCLEASE HI; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR C.ANGKAWIDJAJA,S.KANAYA . 599 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 439 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 16.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 2 2 4 0 0 2 1 2 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 5 2 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 2 0 0 0 1 3 0 4 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 0 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 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 3 A E 0 0 239 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 114.0 -39.1 17.7 -16.3 2 4 A L - 0 0 74 1,-0.1 61,-0.2 61,-0.0 2,-0.2 -0.431 360.0 -91.5 -67.1 157.4 -36.7 15.4 -14.5 3 5 A K E -a 63 0A 68 59,-0.5 61,-2.6 -2,-0.1 2,-0.7 -0.498 38.0-122.0 -64.6 143.2 -33.5 17.0 -13.5 4 6 A L E +a 64 0A 22 59,-0.2 25,-0.5 -2,-0.2 2,-0.4 -0.837 38.2 176.1 -91.0 112.7 -30.7 16.7 -16.0 5 7 A I E -aB 65 28A 9 59,-2.3 61,-2.3 -2,-0.7 2,-0.5 -0.880 23.0-149.5-121.6 138.2 -27.6 15.0 -14.6 6 8 A H E -aB 66 27A 16 21,-2.2 21,-2.6 -2,-0.4 2,-0.5 -0.958 16.6-167.1-106.2 121.7 -24.4 14.0 -16.0 7 9 A I E -aB 67 26A 0 59,-2.4 61,-3.1 -2,-0.5 2,-0.4 -0.925 6.4-171.9-111.3 125.2 -22.7 10.9 -14.5 8 10 A F E -aB 68 25A 3 17,-2.8 17,-1.5 -2,-0.5 2,-0.3 -0.922 13.0-167.1-110.8 135.6 -19.2 9.9 -15.1 9 11 A T E +aB 69 24A 1 59,-2.3 61,-0.6 -2,-0.4 2,-0.3 -0.956 13.2 169.7-132.8 142.4 -17.9 6.5 -13.9 10 12 A D E - B 0 23A 13 13,-2.5 13,-2.4 -2,-0.3 2,-0.3 -0.998 9.1-171.0-144.0 145.2 -14.7 4.6 -13.3 11 13 A G E - B 0 22A 5 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.964 9.1-175.8-126.1 158.1 -13.4 1.5 -11.6 12 14 A S E + B 0 21A 8 9,-2.3 9,-2.6 -2,-0.3 2,-0.2 -0.977 21.9 147.0-156.9 129.7 -9.8 0.4 -11.1 13 15 A C - 0 0 3 -2,-0.3 2,-0.8 7,-0.2 31,-0.2 -0.627 22.0-171.2-164.1 94.4 -8.2 -2.8 -9.7 14 16 A L S S+ 0 0 114 5,-0.3 2,-0.1 -2,-0.2 29,-0.0 -0.844 77.3 45.9-115.0 103.3 -4.9 -3.4 -11.4 15 17 A G S S- 0 0 51 -2,-0.8 -1,-0.0 3,-0.1 0, 0.0 0.270 102.8-127.9 96.3 99.2 -4.0 -6.7 -10.2 16 18 A N S S+ 0 0 89 1,-0.1 2,-0.1 -2,-0.1 27,-0.1 -0.880 93.4 32.3-159.2 81.3 -7.2 -8.3 -10.6 17 19 A P S S+ 0 0 81 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.223 105.2 88.8 -74.9 158.7 -8.2 -9.7 -8.2 18 20 A G E S- C 0 42A 13 24,-1.8 24,-2.6 -2,-0.1 2,-0.1 -0.936 85.1 -38.5 168.3-169.0 -6.7 -7.4 -5.6 19 21 A P E S+ 0 0 70 0, 0.0 -5,-0.3 0, 0.0 2,-0.3 -0.435 72.0 149.8 -73.4 144.6 -7.6 -4.1 -3.7 20 22 A G E - C 0 39A 0 19,-1.9 19,-3.3 -7,-0.2 2,-0.3 -0.896 24.8-157.7-154.8-173.9 -9.4 -1.7 -5.9 21 23 A G E -BC 12 38A 0 -9,-2.6 -9,-2.3 -2,-0.3 2,-0.3 -0.978 12.4-121.1-165.1-175.9 -11.9 1.2 -6.0 22 24 A Y E -BC 11 37A 6 15,-1.7 15,-1.4 -2,-0.3 2,-0.3 -0.860 14.1-155.4-134.3 157.1 -14.3 3.3 -8.0 23 25 A G E -BC 10 36A 0 -13,-2.4 -13,-2.5 -2,-0.3 2,-0.3 -0.979 7.0-172.9-139.6 150.0 -14.8 6.9 -8.9 24 26 A I E -BC 9 35A 0 11,-1.7 11,-1.3 -2,-0.3 2,-0.4 -0.996 9.0-169.3-145.6 133.0 -17.8 9.1 -9.8 25 27 A V E -BC 8 34A 3 -17,-1.5 -17,-2.8 -2,-0.3 2,-0.5 -0.991 13.5-167.9-121.2 129.6 -18.3 12.7 -11.0 26 28 A M E -BC 7 33A 12 7,-2.3 7,-2.1 -2,-0.4 2,-0.5 -0.990 1.4-164.4-120.9 128.4 -21.8 14.0 -11.1 27 29 A K E +BC 6 32A 40 -21,-2.6 -21,-2.2 -2,-0.5 2,-0.4 -0.933 13.8 171.3-113.5 130.2 -22.7 17.2 -12.8 28 30 A Y E > -BC 5 31A 66 3,-2.9 3,-2.8 -2,-0.5 -23,-0.1 -0.997 67.2 -56.2-136.5 124.2 -25.9 19.3 -12.5 29 31 A K T 3 S- 0 0 75 -25,-0.5 285,-0.1 -2,-0.4 284,-0.0 -0.138 124.5 -17.1 45.1-121.0 -26.0 22.6 -14.1 30 32 A G T 3 S+ 0 0 33 287,-0.1 265,-0.3 -3,-0.1 -1,-0.3 0.617 119.5 98.4 -77.5 -13.4 -23.0 24.4 -12.6 31 33 A H E < -C 28 0A 98 -3,-2.8 -3,-2.9 263,-0.1 2,-0.4 -0.503 47.0-178.9 -89.7 139.0 -22.6 21.9 -9.7 32 34 A T E +C 27 0A 28 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -1.000 2.4 175.5-133.9 137.7 -20.2 19.1 -9.6 33 35 A K E -C 26 0A 104 -7,-2.1 -7,-2.3 -2,-0.4 2,-0.4 -0.924 13.5-146.3-134.3 167.8 -19.5 16.5 -7.0 34 36 A E E -CD 25 186A 16 152,-2.3 152,-2.8 -2,-0.3 2,-0.3 -0.984 10.5-179.0-132.5 139.7 -17.5 13.3 -6.5 35 37 A M E +CD 24 185A 18 -11,-1.3 -11,-1.7 -2,-0.4 150,-0.3 -0.895 11.0 170.0-121.3 165.6 -17.8 10.0 -4.7 36 38 A S E -CD 23 184A 0 148,-2.2 148,-2.7 -2,-0.3 2,-0.3 -0.955 9.8-167.4-159.1 177.3 -15.3 7.1 -4.4 37 39 A G E -C 22 0A 0 -15,-1.4 -15,-1.7 -2,-0.3 2,-0.3 -0.947 6.7-149.7-171.7 150.2 -14.7 3.9 -2.6 38 40 A G E -C 21 0A 5 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.2 -0.961 5.7-167.1-131.4 144.0 -12.1 1.3 -1.9 39 41 A F E -C 20 0A 12 -19,-3.3 -19,-1.9 -2,-0.3 3,-0.2 -0.989 25.4-137.8-129.0 144.2 -12.0 -2.4 -1.2 40 42 A S E S+ 0 0 47 105,-2.5 2,-0.3 -2,-0.3 106,-0.1 0.830 96.7 15.6 -65.2 -29.4 -9.3 -4.7 0.1 41 43 A L E S+ 0 0 75 104,-0.4 106,-0.5 -22,-0.1 2,-0.3 -0.915 83.2 115.4-150.2 118.7 -10.3 -7.4 -2.5 42 44 A T E -C 18 0A 0 -24,-2.6 -24,-1.8 -2,-0.3 2,-0.3 -0.874 50.9 -98.2-160.8-176.9 -12.3 -7.0 -5.6 43 45 A T > - 0 0 22 -2,-0.3 4,-1.9 -26,-0.2 -31,-0.1 -0.769 24.7-120.5-112.5 166.5 -12.2 -7.2 -9.4 44 46 A N H > S+ 0 0 44 -2,-0.3 4,-1.6 -31,-0.2 5,-0.1 0.832 116.5 54.1 -69.2 -33.1 -11.8 -4.6 -12.1 45 47 A N H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.870 107.8 48.9 -67.1 -38.2 -15.2 -5.8 -13.5 46 48 A R H > S+ 0 0 2 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.895 112.0 48.1 -70.6 -40.3 -16.9 -5.3 -10.1 47 49 A M H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.860 110.2 50.9 -64.3 -35.5 -15.5 -1.9 -9.7 48 50 A E H < S+ 0 0 27 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 117.5 42.3 -72.1 -36.4 -16.5 -0.8 -13.2 49 51 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.836 111.0 53.0 -77.0 -43.5 -19.9 -2.1 -12.5 50 52 A L H X S+ 0 0 12 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.883 98.1 67.5 -62.9 -34.2 -20.3 -0.7 -8.9 51 53 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.940 103.6 40.2 -60.6 -52.0 -19.4 2.8 -9.9 52 54 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.867 116.9 52.8 -60.7 -35.8 -22.6 3.5 -12.1 53 55 A I H X S+ 0 0 0 -4,-1.4 4,-3.3 2,-0.2 -2,-0.2 0.943 108.7 46.4 -66.1 -49.2 -24.7 1.7 -9.5 54 56 A V H X S+ 0 0 20 -4,-3.3 4,-0.8 1,-0.2 -1,-0.2 0.928 114.2 50.0 -57.8 -43.1 -23.5 3.8 -6.5 55 57 A A H >< S+ 0 0 0 -4,-2.2 3,-0.5 -5,-0.3 4,-0.3 0.906 114.8 43.4 -63.0 -40.6 -24.0 7.0 -8.5 56 58 A L H >< S+ 0 0 3 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.948 109.4 55.8 -69.4 -42.7 -27.6 5.9 -9.5 57 59 A E H 3< S+ 0 0 77 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.620 99.8 63.6 -63.0 -16.2 -28.5 4.7 -6.0 58 60 A A T << S+ 0 0 34 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.514 76.8 105.6 -88.7 -13.0 -27.6 8.1 -4.6 59 61 A L < - 0 0 15 -3,-1.8 4,-0.0 -4,-0.3 149,-0.0 -0.458 60.4-149.5 -74.0 147.9 -30.2 10.1 -6.5 60 62 A K S S+ 0 0 126 -2,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.464 75.5 4.9-104.3 -1.0 -33.3 11.3 -4.4 61 63 A E S S- 0 0 84 -58,-0.0 2,-0.1 52,-0.0 52,-0.0 -0.875 100.3 -64.3-156.7 169.5 -36.0 11.3 -7.1 62 64 A P + 0 0 69 0, 0.0 -59,-0.5 0, 0.0 2,-0.3 -0.388 58.6 176.6 -62.1 141.8 -36.1 10.2 -10.8 63 65 A C E -a 3 0A 0 -61,-0.2 52,-1.9 -2,-0.1 2,-0.7 -0.946 37.5-104.3-145.6 160.9 -34.0 12.1 -13.2 64 66 A K E -ae 4 115A 73 -61,-2.6 -59,-2.3 -2,-0.3 2,-0.5 -0.844 46.7-160.5 -90.4 114.6 -32.8 12.3 -16.8 65 67 A I E -ae 5 116A 0 50,-2.3 52,-3.0 -2,-0.7 2,-0.6 -0.843 27.4-165.9-111.0 130.4 -29.3 10.9 -16.9 66 68 A I E -ae 6 117A 8 -61,-2.3 -59,-2.4 -2,-0.5 2,-0.6 -0.956 27.8-169.5 -99.1 107.4 -26.5 11.1 -19.4 67 69 A L E -ae 7 118A 0 50,-2.7 52,-3.4 -2,-0.6 2,-0.5 -0.908 8.2-169.1-117.9 119.5 -24.2 8.4 -18.1 68 70 A T E +ae 8 119A 4 -61,-3.1 -59,-2.3 -2,-0.6 2,-0.3 -0.914 13.4 164.2-121.0 128.4 -20.7 8.0 -19.4 69 71 A S E -ae 9 120A 3 50,-1.8 52,-2.7 -2,-0.5 -59,-0.1 -0.958 35.3-149.3-143.9 152.5 -18.6 5.0 -18.8 70 72 A D + 0 0 58 -61,-0.6 2,-0.7 -2,-0.3 3,-0.1 0.215 59.9 117.0-103.6 10.8 -15.4 3.4 -20.1 71 73 A S > - 0 0 2 1,-0.2 4,-2.8 -23,-0.1 5,-0.2 -0.714 44.3-170.0-102.9 115.4 -16.3 -0.1 -19.3 72 74 A Q H > S+ 0 0 77 -2,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.869 96.0 57.8 -59.0 -26.9 -16.7 -2.8 -22.1 73 75 A Y H > S+ 0 0 33 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.974 110.3 39.7 -63.7 -55.3 -18.0 -5.0 -19.3 74 76 A V H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.863 113.5 56.4 -63.3 -38.6 -20.8 -2.5 -18.4 75 77 A R H X S+ 0 0 79 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.947 106.5 47.7 -59.9 -45.5 -21.5 -1.7 -22.0 76 78 A Q H X>S+ 0 0 81 -4,-2.0 4,-2.7 1,-0.2 5,-1.7 0.819 110.9 51.4 -71.6 -33.1 -22.1 -5.3 -23.0 77 79 A G H <>S+ 0 0 0 -4,-1.6 5,-2.0 3,-0.2 6,-0.4 0.936 112.1 46.4 -62.5 -47.5 -24.5 -5.9 -20.1 78 80 A I H <5S+ 0 0 37 -4,-2.2 5,-0.3 1,-0.2 -2,-0.2 0.980 122.5 35.8 -65.0 -49.3 -26.5 -2.9 -20.9 79 81 A M H <5S- 0 0 102 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.787 139.4 -10.6 -75.1 -30.1 -26.7 -3.7 -24.6 80 82 A T T X5S+ 0 0 83 -4,-2.7 4,-1.7 -5,-0.3 -3,-0.2 0.612 119.3 55.3-137.0 -62.3 -26.9 -7.4 -24.6 81 83 A W H > S+ 0 0 140 -6,-0.4 4,-2.1 -5,-0.3 -1,-0.2 0.956 118.1 49.6 -50.4 -55.9 -32.0 -8.6 -21.4 84 86 A G H < S+ 0 0 34 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.937 116.7 39.3 -40.9 -61.3 -30.6 -12.1 -22.1 85 87 A W H ><>S+ 0 0 38 -4,-3.4 5,-3.1 2,-0.2 3,-1.1 0.849 110.5 57.3 -62.7 -43.7 -30.1 -12.9 -18.4 86 88 A K H ><5S+ 0 0 94 -4,-3.3 3,-1.5 -5,-0.3 -1,-0.2 0.933 108.4 47.3 -59.9 -47.9 -33.3 -11.2 -17.1 87 89 A K T 3<5S+ 0 0 159 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.468 111.8 52.7 -75.8 0.2 -35.4 -13.4 -19.3 88 90 A N T < 5S- 0 0 82 -3,-1.1 3,-0.4 -4,-0.2 -1,-0.3 0.147 119.5-107.8-111.9 22.6 -33.4 -16.4 -18.1 89 91 A G T < 5S- 0 0 50 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.787 70.5 -61.6 60.4 30.0 -33.9 -15.7 -14.4 90 92 A W S - 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