==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA-RNA HYBRID 24-JUL-10 3O3H . COMPND 2 MOLECULE: RIBONUCLEASE HII; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR M.P.RYCHLIK,H.CHON,S.M.CERRITELLI,P.KLIMEK,R.J.CROUCH,M.NOWO . 222 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 7.7 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 . 0 0.0 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 . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 40.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 1 1 0 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 0 0 1 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 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 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 2 A G > 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -44.1 -3.6 24.6 33.8 2 3 A I H > + 0 0 69 123,-0.3 4,-1.6 1,-0.2 5,-0.2 0.942 360.0 50.4 -48.8 -50.3 -4.1 24.6 30.0 3 4 A D H > S+ 0 0 5 122,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 108.0 52.7 -49.4 -49.9 -4.7 20.8 30.4 4 5 A E H > S+ 0 0 89 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.878 101.9 57.9 -65.1 -39.5 -7.2 21.4 33.2 5 6 A L H X S+ 0 0 102 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.974 113.9 38.9 -48.5 -58.1 -9.3 23.8 31.2 6 7 A Y H X S+ 0 0 58 -4,-1.6 4,-2.9 1,-0.2 5,-0.4 0.800 112.7 57.6 -65.7 -30.9 -9.8 21.2 28.5 7 8 A K H X S+ 0 0 34 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.961 109.7 43.6 -63.5 -49.8 -10.1 18.4 31.1 8 9 A K H < S+ 0 0 159 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 120.0 43.4 -62.5 -39.0 -13.0 20.2 32.8 9 10 A E H < S+ 0 0 138 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.970 128.9 19.2 -70.0 -54.4 -14.7 21.1 29.5 10 11 A F H < S- 0 0 80 -4,-2.9 2,-0.5 1,-0.2 -3,-0.2 0.576 92.3-130.3-106.3 -12.3 -14.3 17.8 27.6 11 12 A G S < S+ 0 0 40 -4,-2.2 2,-0.5 -5,-0.4 -1,-0.2 -0.871 78.8 29.7 105.4-128.1 -13.7 15.0 30.0 12 13 A I S S- 0 0 66 -2,-0.5 90,-1.8 87,-0.2 89,-1.4 -0.609 74.0-166.8 -71.6 122.2 -10.8 12.6 29.4 13 14 A V E -a 102 0A 1 -2,-0.5 22,-0.4 87,-0.2 2,-0.3 -0.935 6.5-161.8-121.7 114.7 -8.0 14.5 27.5 14 15 A A E -a 103 0A 0 88,-2.5 90,-3.2 -2,-0.5 2,-0.4 -0.667 11.4-141.3 -90.0 146.0 -5.0 12.8 25.8 15 16 A G E -aB 104 33A 0 18,-2.0 18,-2.7 -2,-0.3 2,-0.4 -0.909 20.5-164.3-103.5 135.0 -1.8 14.7 24.9 16 17 A V E +aB 105 32A 0 88,-3.1 90,-3.0 -2,-0.4 2,-0.3 -0.962 18.5 150.6-127.3 138.1 -0.2 13.8 21.6 17 18 A D E - B 0 31A 10 14,-1.6 14,-3.1 -2,-0.4 2,-0.3 -0.964 22.5-146.5-153.4 164.3 3.2 14.4 20.0 18 19 A E E - B 0 30A 23 -2,-0.3 2,-0.3 12,-0.3 12,-0.3 -0.924 2.0-153.8-136.8 160.0 5.6 12.7 17.6 19 20 A A E + B 0 29A 11 10,-3.7 10,-2.4 -2,-0.3 -2,-0.0 -0.980 66.8 44.8-132.5 146.2 9.3 12.2 17.0 20 21 A G > + 0 0 2 -2,-0.3 3,-1.1 8,-0.2 -1,-0.1 0.589 61.0 135.8 104.4 13.5 11.4 11.5 13.9 21 22 A R T 3 S+ 0 0 91 1,-0.2 -2,-0.1 -3,-0.1 64,-0.0 0.962 74.5 39.2 -54.0 -60.7 9.8 13.9 11.5 22 23 A G T 3 S+ 0 0 51 2,-0.0 141,-0.4 59,-0.0 -1,-0.2 0.148 91.6 125.6 -84.3 23.4 13.0 15.4 9.9 23 24 A C < - 0 0 0 -3,-1.1 139,-0.2 139,-0.1 138,-0.1 -0.466 55.0-150.8 -88.4 150.7 14.8 12.0 9.8 24 25 A L S S+ 0 0 7 137,-2.2 157,-2.9 -2,-0.2 2,-0.3 0.460 82.6 27.2 -94.7 -2.5 16.4 10.4 6.8 25 26 A A B S+E 180 0B 0 155,-0.3 155,-0.3 135,-0.2 -1,-0.1 -0.991 94.3 32.8-155.3 158.1 15.8 6.9 8.1 26 27 A G S S- 0 0 0 153,-3.0 -3,-0.1 -2,-0.3 155,-0.0 0.126 83.3 -65.0 77.1 163.9 13.6 4.9 10.4 27 28 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 45,-0.2 -0.121 48.9-103.7 -78.4 174.6 9.9 5.3 11.1 28 29 A V E - C 0 71A 0 43,-1.4 43,-1.7 56,-0.1 2,-0.4 -0.909 33.2-148.8-103.8 130.0 8.1 8.2 12.8 29 30 A V E -BC 19 70A 0 -10,-2.4 -10,-3.7 -2,-0.5 2,-0.3 -0.852 13.9-174.1-104.7 130.5 7.1 7.5 16.4 30 31 A A E -BC 18 69A 0 39,-3.0 39,-2.5 -2,-0.4 2,-0.4 -0.931 5.9-158.1-122.9 148.8 4.0 9.1 17.9 31 32 A A E -BC 17 68A 0 -14,-3.1 -14,-1.6 -2,-0.3 2,-0.5 -0.989 6.9-160.1-134.3 130.5 2.8 9.0 21.6 32 33 A A E -BC 16 67A 0 35,-2.6 35,-2.4 -2,-0.4 2,-0.5 -0.921 18.2-170.0-107.9 130.6 -0.6 9.5 23.2 33 34 A V E -BC 15 66A 0 -18,-2.7 -18,-2.0 -2,-0.5 2,-0.5 -0.938 16.6-179.4-135.1 116.6 -0.6 10.2 26.9 34 35 A V E + C 0 65A 7 31,-2.1 31,-3.2 -2,-0.5 2,-0.3 -0.937 21.4 165.1-108.3 132.0 -3.4 10.4 29.5 35 36 A L E + C 0 64A 19 -2,-0.5 29,-0.2 -22,-0.4 -22,-0.1 -0.998 28.4 169.0-152.7 139.4 -2.3 11.3 33.1 36 37 A E + 0 0 122 27,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.669 63.4 83.4-119.0 -36.1 -3.8 12.4 36.4 37 38 A K S S- 0 0 85 26,-0.6 2,-0.2 1,-0.1 26,-0.1 -0.501 87.1-111.2 -68.8 139.4 -1.0 12.0 38.9 38 39 A E - 0 0 166 -2,-0.2 2,-0.5 -3,-0.0 -1,-0.1 -0.502 27.7-163.9 -78.0 141.2 1.3 15.1 38.9 39 40 A I > - 0 0 10 -2,-0.2 3,-1.1 24,-0.0 -1,-0.0 -0.895 12.0-144.0-129.5 101.9 4.9 14.7 37.6 40 41 A E T 3 S+ 0 0 86 -2,-0.5 0, 0.0 1,-0.2 0, 0.0 -0.289 82.7 37.3 -60.5 144.4 7.3 17.5 38.4 41 42 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.395 76.0 160.1 97.4 -0.9 9.9 18.4 35.8 42 43 A I < + 0 0 9 -3,-1.1 -1,-0.3 14,-0.0 2,-0.3 -0.333 14.0 133.6 -61.3 125.3 7.5 17.9 32.9 43 44 A N - 0 0 65 87,-0.2 81,-0.2 84,-0.1 5,-0.1 -0.949 62.9 -65.1-167.8 154.2 8.7 19.7 29.8 44 45 A D >> - 0 0 2 79,-0.6 3,-2.2 -2,-0.3 4,-0.7 -0.164 51.4-123.3 -46.2 125.8 9.2 19.3 26.0 45 46 A S G >4 S+ 0 0 10 85,-0.4 3,-1.4 1,-0.3 8,-0.1 0.777 102.6 66.3 -44.9 -43.6 11.9 16.6 25.5 46 47 A K G 34 S+ 0 0 168 1,-0.3 -1,-0.3 4,-0.0 -2,-0.1 0.539 100.2 52.2 -67.1 -4.5 14.4 18.7 23.4 47 48 A Q G <4 S+ 0 0 119 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.689 101.0 79.8 -94.9 -25.8 15.0 21.0 26.4 48 49 A L S << S- 0 0 24 -3,-1.4 -4,-0.0 -4,-0.7 -3,-0.0 -0.255 88.2-105.5 -78.1 163.8 15.8 18.1 28.6 49 50 A S >> - 0 0 61 1,-0.1 4,-2.1 -2,-0.0 3,-1.6 -0.721 31.9-115.7 -85.9 142.2 19.1 16.1 28.9 50 51 A P H 3> S+ 0 0 86 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.802 118.3 50.7 -44.4 -35.0 18.9 12.6 27.3 51 52 A A H 3> S+ 0 0 74 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.729 107.6 51.9 -79.9 -23.6 19.5 11.1 30.8 52 53 A K H <> S+ 0 0 86 -3,-1.6 4,-2.7 2,-0.2 3,-0.4 0.914 103.7 55.0 -79.2 -44.9 16.7 13.2 32.3 53 54 A R H X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 105.4 59.2 -45.4 -43.9 14.1 12.1 29.7 54 55 A E H X S+ 0 0 73 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.892 109.1 39.3 -55.0 -46.4 15.2 8.6 30.9 55 56 A R H X S+ 0 0 117 -4,-1.1 4,-1.2 -3,-0.4 -1,-0.2 0.796 114.7 54.1 -78.9 -27.1 14.2 9.2 34.5 56 57 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.795 106.9 52.4 -73.2 -29.0 11.1 11.1 33.5 57 58 A L H X S+ 0 0 14 -4,-2.3 4,-3.8 -5,-0.2 -2,-0.2 0.964 103.7 53.9 -71.0 -52.9 9.9 8.2 31.3 58 59 A D H < S+ 0 0 80 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 115.4 44.0 -45.2 -43.9 10.2 5.6 34.0 59 60 A E H >X S+ 0 0 42 -4,-1.2 3,-1.3 1,-0.2 4,-1.3 0.928 114.2 48.3 -65.9 -49.0 8.0 7.9 36.0 60 61 A I H >X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.3 3,-0.6 0.931 106.9 55.2 -58.8 -49.6 5.6 8.6 33.2 61 62 A M H 3< S+ 0 0 90 -4,-3.8 -1,-0.3 1,-0.2 -2,-0.1 0.093 111.6 48.1 -75.7 26.9 5.2 5.0 32.3 62 63 A E H <4 S+ 0 0 156 -3,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.529 118.3 31.3-131.2 -27.4 4.1 4.4 35.9 63 64 A K H << S+ 0 0 81 -4,-1.3 -27,-0.6 -3,-0.6 -26,-0.6 0.557 114.8 56.7-107.0 -13.7 1.6 7.1 36.6 64 65 A A E < S-C 35 0A 22 -4,-2.0 2,-0.4 -5,-0.2 -29,-0.2 -0.718 76.3-114.8-119.7 163.7 0.0 7.5 33.2 65 66 A A E -C 34 0A 24 -31,-3.2 -31,-2.1 -2,-0.2 2,-0.4 -0.833 38.5-168.6 -91.9 139.5 -1.7 5.7 30.4 66 67 A V E -C 33 0A 46 -2,-0.4 2,-0.4 -33,-0.2 -33,-0.2 -0.977 17.4-170.1-139.6 125.2 0.3 5.5 27.2 67 68 A G E -C 32 0A 0 -35,-2.4 -35,-2.6 -2,-0.4 2,-0.4 -0.906 12.6-158.2-107.1 141.0 -0.4 4.5 23.6 68 69 A I E -C 31 0A 39 -2,-0.4 2,-0.4 23,-0.2 -37,-0.2 -0.975 10.6-179.7-121.8 125.5 2.4 4.2 21.1 69 70 A G E -C 30 0A 1 -39,-2.5 -39,-3.0 -2,-0.4 2,-0.3 -0.933 3.4-171.3-120.4 144.2 2.0 4.4 17.3 70 71 A I E -C 29 0A 71 -2,-0.4 2,-0.4 -41,-0.2 -41,-0.2 -0.967 11.9-151.0-129.5 152.0 4.6 4.1 14.5 71 72 A A E -C 28 0A 0 -43,-1.7 -43,-1.4 -2,-0.3 5,-0.1 -0.989 28.8-117.0-120.4 131.6 4.5 4.6 10.8 72 73 A S > - 0 0 31 -2,-0.4 4,-2.0 -45,-0.2 5,-0.1 -0.150 16.8-120.4 -65.5 155.1 6.9 2.6 8.6 73 74 A P H > S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.869 119.4 57.0 -62.1 -31.8 9.6 4.2 6.4 74 75 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.918 105.2 50.1 -58.6 -44.6 7.7 2.6 3.5 75 76 A E H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.842 105.8 56.0 -65.4 -34.8 4.6 4.5 4.6 76 77 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 3,-0.2 -1,-0.2 0.941 111.0 44.5 -59.9 -45.9 6.5 7.8 4.8 77 78 A D H < S+ 0 0 6 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.933 120.0 39.3 -65.2 -47.4 7.5 7.3 1.1 78 79 A L H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.831 132.8 23.9 -71.6 -34.1 4.1 6.2 -0.1 79 80 A Y H < S- 0 0 115 -4,-2.5 4,-0.5 -5,-0.2 -3,-0.2 0.602 108.6-114.4-107.6 -17.4 2.0 8.7 2.0 80 81 A N X - 0 0 82 -4,-2.4 4,-1.8 -5,-0.4 5,-0.2 0.017 36.0 -79.0 84.4 158.0 4.5 11.5 2.7 81 82 A I H > S+ 0 0 36 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.816 125.7 55.1 -62.4 -27.6 5.9 12.4 6.1 82 83 A F H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 111.5 38.2 -76.7 -47.0 2.7 14.3 7.1 83 84 A N H > S+ 0 0 80 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.766 114.2 56.6 -75.8 -25.1 0.1 11.6 6.6 84 85 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.829 107.5 51.4 -68.7 -33.9 2.5 9.1 8.0 85 86 A T H X S+ 0 0 0 -4,-1.3 4,-2.7 -5,-0.2 -2,-0.2 0.947 110.7 44.3 -67.9 -51.8 2.6 11.3 11.0 86 87 A K H X S+ 0 0 47 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.890 113.2 54.9 -56.4 -38.7 -1.1 11.5 11.4 87 88 A L H X S+ 0 0 51 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.931 109.1 45.5 -62.6 -47.8 -1.2 7.7 10.8 88 89 A A H >X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 3,-0.8 0.931 111.8 52.8 -58.8 -49.9 1.3 7.1 13.6 89 90 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.5 0.902 107.9 50.4 -51.9 -46.2 -0.6 9.4 15.9 90 91 A N H 3X S+ 0 0 36 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.727 107.0 55.0 -68.9 -20.4 -3.9 7.6 15.3 91 92 A R H -d 106 0A 22 -14,-1.6 -12,-2.7 -2,-0.6 3,-2.0 -0.895 16.6-138.2-107.7 116.9 -1.4 23.8 19.8 120 121 A V T 3 S+ 0 0 77 -2,-0.6 -12,-0.1 1,-0.3 -14,-0.0 -0.524 100.1 8.1 -65.7 133.4 1.7 25.4 18.3 121 122 A K T > S+ 0 0 128 -2,-0.2 3,-3.2 1,-0.1 -1,-0.3 0.633 90.1 152.2 60.3 12.8 4.6 24.9 20.7 122 123 A G G X> + 0 0 0 -3,-2.0 4,-1.7 1,-0.3 3,-1.5 0.737 56.8 72.6 -41.5 -30.3 2.0 22.7 22.4 123 124 A D G 34 S+ 0 0 15 1,-0.3 -79,-0.6 -4,-0.2 -1,-0.3 0.571 108.6 33.0 -69.2 -5.8 4.9 20.6 23.8 124 125 A Q G <4 S+ 0 0 95 -3,-3.2 -1,-0.3 -81,-0.2 -2,-0.2 0.083 116.3 55.7-135.0 18.3 5.7 23.5 26.1 125 126 A K T <4 S+ 0 0 101 -3,-1.5 2,-0.4 1,-0.2 -123,-0.3 0.493 109.5 45.1-114.1 -20.2 2.1 24.8 26.7 126 127 A S X - 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