==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-13 4KTW . COMPND 2 MOLECULE: RUVC ENDONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS PHAGE BIL67; . AUTHOR J.B.RAFFERTY,V.GREEN . 319 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 7.5 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 2 0 0 0 0 0 0 1 3 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 161 0, 0.0 2,-0.1 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 127.2 1.0 36.6 10.3 2 2 A K - 0 0 129 156,-0.2 2,-0.7 1,-0.1 64,-0.1 -0.446 360.0-117.7 -65.3 138.0 1.9 35.9 6.7 3 3 A K + 0 0 114 62,-0.1 64,-2.9 -2,-0.1 2,-0.4 -0.702 44.1 174.1 -86.9 110.1 -1.1 34.1 5.1 4 4 A I E -a 67 0A 5 -2,-0.7 2,-0.7 62,-0.2 20,-0.5 -0.975 29.8-157.5-123.0 132.4 0.1 30.7 4.0 5 5 A L E -a 68 0A 0 62,-2.8 64,-2.8 -2,-0.4 2,-0.4 -0.933 24.4-157.6-103.5 110.6 -1.8 27.7 2.5 6 6 A A E -aB 69 22A 0 16,-3.1 16,-1.8 -2,-0.7 2,-0.4 -0.768 10.1-171.2 -92.6 130.9 0.6 24.8 3.3 7 7 A I E -aB 70 21A 0 62,-3.0 64,-1.0 -2,-0.4 2,-0.8 -0.981 21.9-165.3-124.9 132.4 0.2 21.7 1.1 8 8 A N E - B 0 20A 11 12,-2.6 12,-2.6 -2,-0.4 2,-0.3 -0.896 34.6-147.4-109.8 99.7 1.8 18.3 1.5 9 9 A F + 0 0 27 -2,-0.8 2,-0.3 10,-0.2 10,-0.1 -0.506 30.1 157.5 -81.6 128.2 1.0 17.0 -2.0 10 10 A S - 0 0 19 -2,-0.3 9,-0.1 78,-0.1 -2,-0.1 -0.992 41.8-138.9-142.9 146.8 0.3 13.4 -2.8 11 11 A T - 0 0 5 -2,-0.3 8,-0.1 7,-0.1 35,-0.1 0.397 46.0-120.5 -82.7 -0.0 -1.5 11.7 -5.6 12 12 A A + 0 0 0 6,-0.1 26,-0.5 25,-0.1 4,-0.1 0.900 57.1 155.9 64.6 47.2 -3.1 9.3 -3.1 13 13 A S + 0 0 56 24,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.722 60.1 59.4 -75.9 -21.5 -1.7 6.3 -4.8 14 14 A K S > S- 0 0 126 23,-0.0 3,-2.3 24,-0.0 23,-0.2 -0.900 100.6 -99.9-111.6 135.6 -1.9 4.3 -1.5 15 15 A K T 3 S+ 0 0 166 -2,-0.4 3,-0.1 1,-0.3 -2,-0.1 -0.266 108.3 18.5 -53.0 134.2 -5.2 3.7 0.3 16 16 A G T 3 S+ 0 0 44 1,-0.3 -1,-0.3 -4,-0.1 2,-0.2 0.323 102.1 108.1 88.0 -9.3 -5.7 6.1 3.2 17 17 A E < + 0 0 44 -3,-2.3 20,-0.5 -5,-0.1 -1,-0.3 -0.635 39.2 146.9 -91.0 157.1 -3.1 8.5 1.9 18 18 A G - 0 0 0 -2,-0.2 2,-0.5 17,-0.2 17,-0.2 -0.958 51.2 -59.6-169.7-177.3 -4.0 11.9 0.4 19 19 A T E - C 0 34A 0 15,-1.6 15,-2.7 -2,-0.3 2,-0.3 -0.729 49.8-144.9 -77.8 125.0 -3.0 15.6 0.0 20 20 A G E -BC 8 33A 0 -12,-2.6 -12,-2.6 -2,-0.5 2,-0.3 -0.675 17.2-173.1 -91.1 145.1 -2.6 17.4 3.3 21 21 A Y E +BC 7 32A 38 11,-2.7 11,-2.0 -2,-0.3 2,-0.3 -0.969 8.5 175.1-136.4 150.0 -3.5 21.0 3.8 22 22 A A E +BC 6 31A 0 -16,-1.8 -16,-3.1 -2,-0.3 2,-0.3 -0.953 7.6 158.8-150.1 136.6 -3.1 23.5 6.6 23 23 A F E - C 0 30A 0 7,-2.1 7,-3.3 -2,-0.3 2,-0.4 -0.981 31.2-128.7-151.4 161.4 -3.9 27.2 6.9 24 24 A R E + C 0 29A 65 -20,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.945 26.6 174.1-113.4 132.8 -4.5 29.9 9.6 25 25 A K E > S- C 0 28A 45 3,-2.6 3,-2.1 -2,-0.4 -2,-0.1 -0.986 72.2 -8.8-140.9 125.9 -7.5 32.1 9.4 26 26 A D T 3 S- 0 0 151 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.911 130.7 -56.7 53.5 43.2 -8.6 34.6 12.1 27 27 A G T 3 S+ 0 0 56 1,-0.2 2,-0.4 -26,-0.1 -1,-0.3 0.277 114.9 113.0 77.8 -11.4 -5.9 33.0 14.3 28 28 A Q E < -C 25 0A 107 -3,-2.1 -3,-2.6 1,-0.0 2,-0.4 -0.818 62.9-132.8-101.5 134.7 -7.2 29.5 14.1 29 29 A V E -C 24 0A 15 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.707 18.0-164.9 -82.8 132.1 -5.4 26.7 12.3 30 30 A Y E +C 23 0A 63 -7,-3.3 -7,-2.1 -2,-0.4 2,-0.3 -0.926 13.5 175.1-113.8 131.1 -7.5 24.5 9.9 31 31 A V E +C 22 0A 30 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.965 8.3 138.0-133.1 158.5 -6.0 21.2 8.8 32 32 A G E -C 21 0A 11 -11,-2.0 -11,-2.7 -2,-0.3 2,-0.4 -0.984 36.3-115.9-178.4-179.5 -7.3 18.3 6.7 33 33 A S E -C 20 0A 25 -2,-0.3 2,-0.8 -13,-0.2 -13,-0.2 -0.997 14.4-136.5-137.3 142.6 -6.6 15.7 4.0 34 34 A I E -C 19 0A 25 -15,-2.7 -15,-1.6 -2,-0.4 2,-1.5 -0.870 20.2-156.2 -98.3 108.3 -8.0 15.1 0.6 35 35 A K + 0 0 125 -2,-0.8 -17,-0.2 -17,-0.2 -19,-0.0 -0.543 29.6 157.0 -91.5 79.2 -8.5 11.3 0.3 36 36 A A + 0 0 16 -2,-1.5 -1,-0.2 -19,-0.1 -18,-0.1 0.206 11.5 151.7 -94.6 13.7 -8.4 10.8 -3.4 37 37 A Y + 0 0 87 -20,-0.5 -24,-0.1 -23,-0.2 -25,-0.1 -0.221 11.1 141.5 -45.9 125.4 -7.4 7.0 -3.5 38 38 A N > - 0 0 57 -26,-0.5 3,-2.3 3,-0.2 8,-0.1 -0.465 34.8-168.2-168.7 96.7 -8.7 5.4 -6.6 39 39 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 0.715 87.9 71.5 -66.4 -13.6 -6.8 2.9 -8.6 40 40 A K T 3 S+ 0 0 198 2,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.665 95.8 64.2 -66.0 -18.7 -9.4 3.3 -11.5 41 41 A K S < S- 0 0 68 -3,-2.3 -3,-0.2 1,-0.0 2,-0.1 -0.791 86.2-119.0-108.6 149.4 -7.8 6.7 -12.1 42 42 A T > - 0 0 66 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.380 38.2-101.8 -71.0 168.8 -4.3 7.7 -13.3 43 43 A A H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 125.1 52.6 -59.9 -37.9 -2.2 9.8 -11.1 44 44 A W H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.895 108.4 50.9 -66.8 -34.6 -3.0 12.9 -13.2 45 45 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.912 110.4 47.0 -70.4 -37.9 -6.7 12.2 -12.9 46 46 A R H X S+ 0 0 23 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.904 109.7 56.0 -66.4 -38.0 -6.5 11.9 -9.1 47 47 A T H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.902 104.2 53.1 -59.4 -41.1 -4.4 15.2 -9.2 48 48 A F H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.940 108.8 49.6 -59.1 -43.2 -7.4 16.9 -11.0 49 49 A D H X S+ 0 0 52 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.904 111.1 49.0 -63.2 -37.4 -9.7 15.7 -8.2 50 50 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.893 108.4 53.6 -70.3 -40.2 -7.3 17.1 -5.6 51 51 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.953 109.9 48.6 -56.8 -43.7 -7.1 20.4 -7.4 52 52 A N H X S+ 0 0 58 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.889 109.6 51.6 -67.9 -34.6 -10.8 20.7 -7.4 53 53 A A H X S+ 0 0 25 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.904 112.0 45.9 -68.8 -36.9 -11.0 19.8 -3.7 54 54 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.885 109.4 54.9 -73.1 -36.1 -8.4 22.6 -2.8 55 55 A K H X S+ 0 0 81 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.909 107.3 51.2 -60.5 -39.2 -10.2 25.1 -5.0 56 56 A D H X S+ 0 0 115 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.908 110.9 47.4 -65.5 -38.2 -13.4 24.3 -3.1 57 57 A I H X S+ 0 0 19 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.906 110.7 51.6 -64.3 -41.6 -11.6 24.9 0.3 58 58 A I H <>S+ 0 0 6 -4,-2.6 5,-2.4 2,-0.2 4,-0.5 0.922 115.1 44.2 -65.8 -39.3 -10.0 28.2 -1.1 59 59 A D H ><5S+ 0 0 121 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.965 115.0 46.1 -67.1 -55.8 -13.6 29.3 -2.1 60 60 A E H 3<5S+ 0 0 144 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.876 122.4 35.4 -54.7 -41.3 -15.4 28.2 1.2 61 61 A F T 3<5S- 0 0 57 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.376 106.8-122.3-102.5 8.9 -12.8 29.7 3.4 62 62 A D T < 5 + 0 0 124 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.950 53.7 155.2 53.7 53.7 -12.0 32.8 1.2 63 63 A L > < + 0 0 0 -5,-2.4 3,-2.2 -6,-0.2 -4,-0.1 0.209 12.8 138.8 -95.9 13.7 -8.3 32.1 0.9 64 64 A K T 3 S+ 0 0 151 -6,-0.4 36,-0.2 1,-0.2 35,-0.1 -0.339 73.8 27.5 -53.6 137.8 -7.6 33.9 -2.4 65 65 A G T 3 S+ 0 0 33 34,-2.7 -1,-0.2 1,-0.3 35,-0.2 0.365 86.1 129.4 86.9 -14.6 -4.3 35.7 -2.0 66 66 A Y < - 0 0 17 -3,-2.2 35,-2.6 33,-0.2 2,-0.5 -0.389 64.3-114.5 -58.1 151.9 -2.8 33.3 0.6 67 67 A H E -a 4 0A 26 -64,-2.9 -62,-2.8 33,-0.2 2,-0.4 -0.833 25.0-124.7 -96.0 136.5 0.7 32.2 -0.5 68 68 A L E -ad 5 103A 0 34,-2.3 36,-2.2 -2,-0.5 2,-0.5 -0.625 21.6-170.2 -83.9 122.1 1.1 28.5 -1.4 69 69 A A E +ad 6 104A 2 -64,-2.8 -62,-3.0 -2,-0.4 2,-0.3 -0.986 18.3 167.3-107.9 123.2 3.8 26.6 0.5 70 70 A I E -ad 7 105A 0 34,-2.1 36,-2.9 -2,-0.5 -62,-0.2 -0.967 37.6 -98.8-139.2 144.2 4.4 23.1 -1.1 71 71 A E E - d 0 106A 35 -64,-1.0 36,-0.2 -2,-0.3 -62,-0.1 -0.376 40.2-109.9 -62.8 143.6 7.1 20.5 -0.7 72 72 A T - 0 0 33 34,-1.5 36,-0.3 -2,-0.1 2,-0.1 -0.473 32.4-119.7 -67.9 132.2 9.8 20.3 -3.3 73 73 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.480 36.5-149.2 -68.0 150.8 9.5 17.1 -5.5 74 74 A I - 0 0 97 -2,-0.1 2,-0.2 8,-0.1 12,-0.1 -0.839 16.3-100.4-126.8 164.6 12.6 15.0 -5.2 75 75 A M - 0 0 64 -2,-0.3 2,-0.2 2,-0.0 4,-0.1 -0.586 49.9-174.6 -79.1 138.5 14.7 12.5 -7.3 76 76 A G - 0 0 45 -2,-0.2 6,-0.1 2,-0.1 7,-0.0 -0.755 39.1 -90.4-131.1-176.1 13.9 8.9 -6.5 77 77 A R S S+ 0 0 255 -2,-0.2 2,-0.5 1,-0.1 -2,-0.0 0.764 108.7 54.2 -66.4 -30.1 14.8 5.2 -7.0 78 78 A N S > S- 0 0 86 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.941 71.4-152.6-120.1 116.6 12.4 4.7 -10.0 79 79 A R H > S+ 0 0 177 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.910 92.9 42.6 -49.7 -55.7 12.7 7.1 -13.0 80 80 A K H > S+ 0 0 132 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 113.8 50.0 -70.4 -43.4 9.1 6.9 -14.2 81 81 A H H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 113.4 46.3 -58.1 -46.4 7.5 7.1 -10.8 82 82 A S H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.885 112.3 50.1 -68.2 -32.5 9.6 10.2 -9.8 83 83 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.932 112.0 48.8 -68.8 -42.1 8.9 12.0 -13.1 84 84 A T H X S+ 0 0 19 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.939 112.0 48.6 -62.1 -42.9 5.1 11.4 -12.7 85 85 A L H X S+ 0 0 66 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 112.1 48.0 -63.1 -45.3 5.2 12.6 -9.2 86 86 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 112.5 49.8 -62.5 -41.8 7.1 15.8 -10.1 87 87 A N H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 111.5 47.5 -66.0 -41.0 4.7 16.4 -13.1 88 88 A C H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.894 109.9 52.6 -68.5 -41.7 1.5 16.0 -11.0 89 89 A N H X S+ 0 0 10 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.946 111.5 48.5 -53.4 -47.1 3.0 18.3 -8.2 90 90 A G H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.923 108.6 53.0 -59.0 -48.3 3.6 20.9 -11.0 91 91 A Y H X S+ 0 0 9 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.907 107.9 51.5 -52.7 -51.0 0.0 20.5 -12.4 92 92 A F H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.924 112.5 44.7 -51.2 -48.3 -1.4 21.1 -8.9 93 93 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.5 0.949 113.7 48.6 -67.2 -45.1 0.6 24.3 -8.5 94 94 A G H < S+ 0 0 4 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 108.7 55.8 -64.8 -34.9 -0.1 25.6 -12.0 95 95 A A H < S+ 0 0 17 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.798 119.2 30.0 -68.1 -28.0 -3.8 24.9 -11.5 96 96 A I H >X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.5 3,-1.9 0.633 86.6 112.4-108.3 -8.5 -4.1 27.0 -8.4 97 97 A D B 3< S+e 100 0B 35 -4,-2.3 4,-0.1 1,-0.3 6,-0.1 -0.366 81.8 36.5 -66.4 129.5 -1.4 29.7 -9.0 98 98 A G T 34 S+ 0 0 63 2,-2.1 -1,-0.3 4,-0.1 -33,-0.1 -0.231 110.5 62.3 112.9 -50.2 -3.4 32.9 -9.4 99 99 A L T <4 S+ 0 0 39 -3,-1.9 -34,-2.7 -35,-0.1 -33,-0.2 0.926 112.3 43.5 -66.7 -47.9 -6.0 31.8 -6.8 100 100 A V B < S-e 97 0B 4 -4,-2.0 -2,-2.1 -36,-0.2 2,-1.5 -0.602 100.9-111.8 -87.4 157.6 -3.0 31.9 -4.5 101 101 A N S S- 0 0 114 -35,-2.6 -4,-0.1 -2,-0.2 -1,-0.0 -0.605 75.7 -63.0 -85.2 68.0 -0.5 34.8 -4.5 102 102 A G - 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