==== 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 HYDROLASE 01-MAR-06 2DFE . COMPND 2 MOLECULE: RIBONUCLEASE HII; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR Y.KATAGIRI,K.TAKANO,H.CHON,H.MATSUMURA,Y.KOGA,S.KANAYA . 209 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.1 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 . 17 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 1 0 1 0 0 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 1 A M 0 0 125 0, 0.0 26,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 161.0 4.7 22.6 -11.2 2 2 A K E -A 26 0A 57 24,-0.2 98,-3.2 96,-0.1 99,-1.5 -0.929 360.0-166.3-108.3 114.4 7.2 24.5 -9.1 3 3 A I E -Ab 25 101A 5 22,-2.4 22,-3.3 -2,-0.6 2,-0.3 -0.821 4.5-165.7-101.5 137.1 10.3 22.4 -8.2 4 4 A A E -Ab 24 102A 0 97,-2.4 99,-3.2 -2,-0.4 2,-0.4 -0.920 8.1-160.1-124.7 152.7 12.7 23.6 -5.5 5 5 A G E -Ab 23 103A 0 18,-2.1 18,-2.9 -2,-0.3 2,-0.4 -0.990 9.5-176.4-131.1 138.9 16.2 22.5 -4.5 6 6 A I E +Ab 22 104A 0 97,-1.7 99,-1.6 -2,-0.4 2,-0.3 -0.999 12.0 149.9-139.0 135.0 18.0 23.1 -1.2 7 7 A D E -A 21 0A 4 14,-1.9 14,-1.8 -2,-0.4 2,-0.2 -0.865 27.9-126.1-149.5-178.3 21.5 22.4 0.1 8 8 A E E -A 20 0A 25 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.770 6.0-154.1-131.0 173.1 24.2 23.6 2.4 9 9 A A E S+A 19 0A 13 10,-1.5 10,-2.6 -2,-0.2 137,-0.0 -0.964 73.0 30.6-150.7 134.0 27.8 24.6 2.5 10 10 A G + 0 0 12 -2,-0.3 -1,-0.1 8,-0.2 139,-0.0 0.830 65.9 133.7 88.4 36.0 30.3 24.5 5.4 11 11 A R + 0 0 66 -3,-0.1 7,-0.0 1,-0.1 -2,-0.0 0.832 69.0 51.3 -84.5 -35.8 28.9 21.6 7.4 12 12 A G S S+ 0 0 48 2,-0.0 -1,-0.1 158,-0.0 157,-0.0 0.983 95.2 70.9 -68.0 -60.9 32.3 19.9 8.0 13 13 A P - 0 0 4 0, 0.0 157,-0.2 0, 0.0 156,-0.1 -0.091 66.2-146.7 -57.8 155.5 34.5 22.7 9.4 14 14 A V S S+ 0 0 13 155,-2.3 181,-2.1 184,-0.0 2,-0.4 0.318 75.7 81.9-106.1 8.3 34.0 24.2 12.8 15 15 A I B S+E 194 0B 5 154,-0.2 179,-0.2 179,-0.2 141,-0.0 -0.914 84.8 4.2-116.2 139.7 35.1 27.6 11.8 16 16 A G S S- 0 0 1 177,-2.3 179,-0.1 -2,-0.4 136,-0.0 -0.097 93.8 -44.4 83.4 176.7 33.0 30.3 10.0 17 17 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.237 45.0-130.2 -79.6 167.5 29.3 30.4 9.1 18 18 A M E - C 0 68A 1 50,-2.5 50,-3.5 -7,-0.0 2,-0.4 -0.917 21.6-148.8-115.1 143.8 27.3 27.7 7.4 19 19 A V E -AC 9 67A 0 -10,-2.6 -10,-1.5 -2,-0.4 2,-0.5 -0.965 11.9-170.5-122.1 134.0 25.1 28.6 4.4 20 20 A I E -AC 8 66A 0 46,-2.2 46,-2.5 -2,-0.4 2,-0.4 -0.977 10.3-171.1-121.2 118.4 21.8 27.1 3.3 21 21 A A E -AC 7 65A 0 -14,-1.8 -14,-1.9 -2,-0.5 2,-0.4 -0.890 4.8-171.5-112.2 139.7 20.5 28.0 -0.2 22 22 A A E -AC 6 64A 0 42,-3.0 42,-2.9 -2,-0.4 2,-0.3 -0.995 6.1-175.5-131.5 127.5 17.1 27.2 -1.6 23 23 A V E -AC 5 63A 0 -18,-2.9 -18,-2.1 -2,-0.4 2,-0.4 -0.862 10.7-153.8-121.1 156.1 16.1 27.9 -5.2 24 24 A V E +AC 4 62A 0 38,-2.9 37,-2.6 -2,-0.3 38,-1.5 -0.998 14.6 176.6-132.2 131.3 12.8 27.5 -7.0 25 25 A V E -A 3 0A 0 -22,-3.3 -22,-2.4 -2,-0.4 35,-0.1 -0.997 34.6-111.7-138.1 139.3 12.4 26.8 -10.7 26 26 A D E >> -A 2 0A 36 -2,-0.4 3,-2.7 33,-0.4 4,-0.7 -0.465 34.2-119.3 -65.7 140.1 9.3 26.2 -12.9 27 27 A E G >4 S+ 0 0 89 -26,-2.8 3,-0.7 1,-0.3 -1,-0.1 0.791 114.8 59.7 -51.6 -31.8 9.4 22.6 -14.1 28 28 A N G 34 S+ 0 0 140 -27,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.649 105.5 48.5 -73.3 -14.9 9.5 23.9 -17.7 29 29 A S G X> S+ 0 0 28 -3,-2.7 3,-1.1 1,-0.1 4,-0.6 0.491 81.8 98.2-101.5 -5.6 12.8 25.7 -16.9 30 30 A L H XX S+ 0 0 48 -3,-0.7 3,-1.8 -4,-0.7 4,-0.8 0.874 74.5 61.6 -47.9 -47.7 14.4 22.7 -15.2 31 31 A P H 3> S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.844 90.7 68.2 -50.2 -39.1 16.4 21.7 -18.4 32 32 A K H <> S+ 0 0 102 -3,-1.1 4,-0.9 1,-0.2 -2,-0.2 0.815 95.5 57.2 -52.0 -32.5 18.2 25.1 -18.3 33 33 A L H <<>S+ 0 0 0 -3,-1.8 5,-1.5 -4,-0.6 3,-0.5 0.923 107.9 43.9 -68.0 -43.7 20.0 23.9 -15.2 34 34 A E H ><5S+ 0 0 88 -4,-0.8 3,-1.4 -3,-0.5 -2,-0.2 0.826 105.9 61.8 -70.9 -29.3 21.4 20.8 -16.8 35 35 A E H 3<5S+ 0 0 148 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 104.0 50.4 -64.9 -26.0 22.4 22.8 -19.9 36 36 A L T 3<5S- 0 0 49 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.504 109.1-133.2 -86.5 -5.5 24.6 24.7 -17.6 37 37 A K T X 5 + 0 0 134 -3,-1.4 3,-2.0 -4,-0.2 -3,-0.2 0.871 42.3 166.4 54.1 41.6 26.0 21.4 -16.3 38 38 A V G > < + 0 0 1 -5,-1.5 3,-1.0 1,-0.3 4,-0.1 0.860 66.1 66.6 -53.8 -39.3 25.6 22.5 -12.7 39 39 A R G 3 S+ 0 0 97 1,-0.3 -1,-0.3 -6,-0.1 3,-0.2 0.584 102.9 48.7 -61.9 -7.7 26.1 19.0 -11.4 40 40 A D G < S+ 0 0 89 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.375 79.2 101.5-129.0 53.5 29.7 19.1 -12.7 41 41 A S X + 0 0 5 -3,-1.0 3,-1.4 2,-0.1 -1,-0.1 0.471 49.2 91.5-114.5 -7.1 30.8 22.4 -11.3 42 42 A K T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.704 87.6 55.7 -62.4 -18.3 32.9 21.3 -8.3 43 43 A K T 3 S+ 0 0 131 2,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.631 86.8 105.6 -88.0 -16.5 35.9 21.2 -10.5 44 44 A L S < S- 0 0 24 -3,-1.4 -3,-0.1 1,-0.1 5,-0.0 -0.221 76.2-110.6 -66.4 153.3 35.5 24.9 -11.6 45 45 A T > - 0 0 69 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.429 37.3-101.9 -76.9 160.0 37.8 27.6 -10.4 46 46 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.886 123.0 48.4 -50.1 -46.0 36.2 30.2 -8.0 47 47 A K H > S+ 0 0 179 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.886 111.5 49.1 -64.8 -39.5 35.8 32.8 -10.8 48 48 A R H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.811 111.7 49.6 -70.2 -28.3 34.3 30.3 -13.2 49 49 A R H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.846 105.1 59.0 -75.6 -33.7 31.9 29.2 -10.4 50 50 A E H X S+ 0 0 65 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.903 107.2 46.6 -59.2 -45.4 31.1 33.0 -9.9 51 51 A K H X S+ 0 0 121 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.960 111.0 50.4 -62.3 -51.5 30.0 33.1 -13.5 52 52 A L H X S+ 0 0 9 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.868 106.8 57.3 -53.7 -40.0 27.9 29.9 -13.2 53 53 A F H X S+ 0 0 14 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.943 108.1 45.4 -55.8 -53.1 26.3 31.4 -10.1 54 54 A N H X S+ 0 0 77 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.800 110.8 53.6 -63.6 -30.9 25.1 34.5 -12.0 55 55 A E H >< S+ 0 0 87 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.905 104.8 55.3 -70.3 -41.1 23.8 32.3 -14.9 56 56 A I H >X S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 4,-0.8 0.857 98.2 60.7 -60.2 -40.1 21.7 30.2 -12.5 57 57 A L H >< S+ 0 0 47 -4,-1.6 3,-0.7 1,-0.3 -1,-0.2 0.858 95.4 65.9 -59.0 -30.9 19.9 33.2 -11.1 58 58 A G T << S+ 0 0 70 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.735 104.5 41.8 -63.3 -23.4 18.6 33.9 -14.6 59 59 A V T <4 S+ 0 0 22 -3,-1.6 -33,-0.4 -4,-0.4 -1,-0.2 0.565 93.7 99.2-101.6 -8.7 16.6 30.7 -14.7 60 60 A L << - 0 0 23 -4,-0.8 -35,-0.2 -3,-0.7 3,-0.1 -0.534 56.7-155.4 -85.0 144.4 15.1 30.7 -11.2 61 61 A D S S- 0 0 66 -37,-2.6 2,-0.3 1,-0.3 -36,-0.2 0.759 82.8 -22.0 -80.6 -28.4 11.6 31.9 -10.3 62 62 A D E -C 24 0A 22 -38,-1.5 -38,-2.9 35,-0.1 -1,-0.3 -0.977 62.7-175.8-171.5 165.3 12.9 32.6 -6.8 63 63 A Y E -C 23 0A 92 -2,-0.3 2,-0.3 -40,-0.3 -40,-0.3 -0.984 10.8-151.4-166.7 162.9 15.6 31.7 -4.3 64 64 A V E -C 22 0A 23 -42,-2.9 -42,-3.0 -2,-0.3 2,-0.5 -0.998 3.6-163.2-144.4 138.8 16.8 32.3 -0.7 65 65 A I E -C 21 0A 50 -2,-0.3 2,-0.6 -44,-0.2 -44,-0.2 -0.988 7.2-166.9-126.5 121.7 20.3 32.3 0.8 66 66 A L E -C 20 0A 31 -46,-2.5 -46,-2.2 -2,-0.5 2,-0.9 -0.934 6.5-159.6-113.1 115.7 20.8 32.0 4.5 67 67 A E E -C 19 0A 107 -2,-0.6 -48,-0.2 -48,-0.2 -2,-0.0 -0.827 12.1-159.2 -95.6 106.6 24.1 32.8 6.0 68 68 A L E -C 18 0A 15 -50,-3.5 -50,-2.5 -2,-0.9 5,-0.1 -0.749 9.6-141.9 -91.8 104.4 24.2 31.1 9.5 69 69 A P > - 0 0 65 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.220 23.4-112.3 -61.6 150.6 26.9 32.6 11.8 70 70 A P G > S+ 0 0 13 0, 0.0 126,-2.2 0, 0.0 3,-1.6 0.813 109.6 72.8 -54.5 -33.5 28.8 30.2 14.1 71 71 A D G 3 S+ 0 0 107 1,-0.3 122,-0.0 124,-0.2 124,-0.0 0.720 105.5 38.6 -55.9 -21.0 27.1 31.7 17.3 72 72 A V G < S+ 0 0 81 -3,-1.8 2,-0.8 124,-0.0 3,-0.5 0.443 90.5 106.4-110.0 -0.6 23.9 29.9 16.3 73 73 A I < + 0 0 8 -3,-1.6 124,-3.0 -4,-0.4 3,-0.0 -0.706 63.9 54.6 -87.6 109.7 25.4 26.7 15.0 74 74 A G + 0 0 26 -2,-0.8 2,-1.6 122,-0.2 -1,-0.2 0.432 54.4 143.5 144.1 22.0 24.8 23.8 17.4 75 75 A S + 0 0 53 -3,-0.5 2,-0.3 2,-0.1 11,-0.1 -0.436 56.7 64.0 -85.3 63.4 21.0 23.8 18.0 76 76 A R S S- 0 0 60 -2,-1.6 2,-0.7 6,-0.2 4,-0.1 -0.921 89.0 -88.8-163.2-175.5 20.7 20.0 18.2 77 77 A E S S- 0 0 123 2,-0.5 2,-2.3 -2,-0.3 4,-0.1 -0.833 81.2 -66.6-113.8 91.8 21.6 16.8 20.1 78 78 A G S S+ 0 0 58 -2,-0.7 2,-0.1 -4,-0.1 -2,-0.0 -0.424 121.0 81.4 66.9 -81.4 24.9 15.5 18.7 79 79 A T S > S- 0 0 79 -2,-2.3 3,-0.8 1,-0.2 2,-0.6 -0.357 81.5-136.1 -58.3 126.8 23.4 14.6 15.3 80 80 A L T 3> S+ 0 0 40 1,-0.2 4,-1.0 2,-0.1 -1,-0.2 0.007 81.0 102.2 -76.1 32.1 23.3 17.7 13.1 81 81 A N H 3> S+ 0 0 40 -2,-0.6 4,-3.0 2,-0.2 5,-0.3 0.924 75.6 48.4 -81.2 -47.8 19.8 16.7 12.0 82 82 A E H <> S+ 0 0 58 -3,-0.8 4,-2.9 1,-0.2 5,-0.2 0.948 111.7 50.4 -57.3 -52.2 17.7 19.1 14.2 83 83 A F H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.899 116.4 40.6 -54.6 -45.7 19.8 22.1 13.3 84 84 A E H X S+ 0 0 1 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.872 114.4 50.7 -74.8 -36.7 19.5 21.4 9.5 85 85 A V H X S+ 0 0 8 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.936 113.5 47.8 -64.5 -43.7 15.8 20.3 9.6 86 86 A E H X S+ 0 0 88 -4,-2.9 4,-1.5 -5,-0.3 -2,-0.2 0.946 119.7 36.5 -60.9 -50.9 15.1 23.5 11.5 87 87 A N H X S+ 0 0 10 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.821 111.7 57.8 -75.6 -33.7 17.0 25.8 9.2 88 88 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.937 111.0 45.2 -60.9 -44.4 16.2 24.1 5.9 89 89 A A H X S+ 0 0 3 -4,-1.9 4,-3.1 -5,-0.3 -1,-0.2 0.889 108.9 56.3 -66.7 -37.2 12.5 24.6 6.7 90 90 A K H X S+ 0 0 113 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.951 110.2 44.7 -57.5 -50.8 13.2 28.2 7.7 91 91 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.921 115.0 48.1 -59.3 -47.9 14.8 28.9 4.3 92 92 A L H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.882 108.9 53.2 -61.6 -41.0 12.0 27.1 2.5 93 93 A N H 3< S+ 0 0 35 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.630 102.1 62.3 -69.8 -13.8 9.3 28.9 4.4 94 94 A S T << S+ 0 0 66 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.564 79.8 109.0 -87.7 -10.5 11.0 32.2 3.4 95 95 A L < - 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