==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/RNA 31-DEC-12 4ILL . COMPND 2 MOLECULE: CRISPR-ASSOCIATED ENDORIBONUCLEASE CAS6 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR Y.SHAO,H.LI . 555 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 25.6 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 . 4 0.7 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 . 56 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 1 0 3 0 0 0 0 0 2 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 1 1 2 4 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 1 A M 0 0 107 0, 0.0 2,-0.1 0, 0.0 184,-0.0 0.000 360.0 360.0 360.0 87.8 -44.3 -5.7 15.1 2 2 A P - 0 0 45 0, 0.0 116,-1.7 0, 0.0 117,-0.3 -0.468 360.0-143.1 -81.7 158.5 -42.0 -8.8 15.0 3 3 A L E -A 117 0A 65 82,-0.3 2,-0.5 114,-0.2 82,-0.4 -0.877 5.9-142.7-126.2 154.0 -39.0 -9.1 17.3 4 4 A I E -A 116 0A 0 112,-2.5 112,-2.6 -2,-0.3 2,-0.5 -0.968 13.3-155.8-116.4 128.7 -35.4 -10.5 17.1 5 5 A F E -AB 115 83A 12 78,-2.8 78,-2.0 -2,-0.5 2,-0.4 -0.881 8.1-173.1-102.5 131.9 -33.9 -12.3 20.1 6 6 A K E -AB 114 82A 52 108,-2.6 108,-1.9 -2,-0.5 2,-0.5 -0.948 5.0-176.9-126.6 111.0 -30.1 -12.4 20.4 7 7 A I E -AB 113 81A 0 74,-2.6 74,-2.2 -2,-0.4 2,-0.5 -0.925 11.9-156.0-111.9 123.9 -28.7 -14.5 23.2 8 8 A G E -AB 112 80A 7 104,-1.8 103,-3.2 -2,-0.5 104,-2.3 -0.867 19.1-168.1 -96.6 133.7 -25.0 -14.8 23.9 9 9 A Y E -AB 110 79A 3 70,-2.6 70,-2.3 -2,-0.5 2,-0.5 -0.874 23.1-141.9-122.0 148.9 -23.9 -17.9 25.7 10 10 A N E -AB 109 78A 39 99,-3.8 99,-3.0 -2,-0.3 2,-0.5 -0.963 23.0-164.7-104.0 129.5 -20.8 -19.2 27.5 11 11 A V E -AB 108 77A 0 66,-2.5 66,-2.4 -2,-0.5 97,-0.2 -0.961 7.3-176.9-120.3 116.4 -20.3 -22.9 26.7 12 12 A I E -A 107 0A 24 95,-2.8 95,-4.2 -2,-0.5 2,-0.4 -0.967 21.4-137.0-120.1 122.1 -18.0 -24.9 28.9 13 13 A P E -A 106 0A 0 0, 0.0 93,-0.3 0, 0.0 4,-0.1 -0.635 6.7-149.4 -74.2 122.6 -17.2 -28.6 28.2 14 14 A L S S+ 0 0 72 91,-2.3 2,-0.3 -2,-0.4 92,-0.1 0.210 80.8 20.2 -80.9 17.2 -17.2 -30.5 31.5 15 15 A Q S S- 0 0 80 90,-0.4 2,-0.3 57,-0.2 56,-0.1 -0.957 106.7 -65.8-166.5 166.7 -14.6 -32.9 30.0 16 16 A D - 0 0 96 -2,-0.3 2,-0.3 54,-0.1 56,-0.2 -0.526 65.8-179.3 -63.5 129.2 -12.0 -33.1 27.2 17 17 A V E -G 71 0B 8 54,-2.8 54,-4.9 -2,-0.3 2,-0.5 -0.969 33.3-143.8-138.4 148.3 -14.1 -32.9 24.1 18 18 A I E -G 70 0B 104 -2,-0.3 52,-0.2 85,-0.3 -2,-0.0 -0.970 37.5-121.7-110.4 125.0 -13.7 -33.0 20.3 19 19 A L - 0 0 19 50,-0.6 4,-0.1 -2,-0.5 2,-0.0 -0.316 19.8-118.5 -75.7 144.8 -16.3 -30.7 18.6 20 20 A P - 0 0 15 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.282 44.2 -78.6 -73.0 162.7 -18.8 -31.9 16.1 21 21 A T S S+ 0 0 49 1,-0.1 199,-0.3 2,-0.1 200,-0.2 -0.943 121.6 21.6-111.3 116.4 -18.9 -30.6 12.5 22 22 A P S > S- 0 0 3 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.652 86.0-140.4 -86.1 170.1 -20.2 -28.0 12.4 23 23 A S T > S+ 0 0 0 1,-0.3 3,-2.0 42,-0.2 4,-0.5 0.842 94.8 72.8 -59.7 -36.1 -19.9 -26.7 16.0 24 24 A S T 3> S+ 0 0 0 244,-0.4 4,-2.9 1,-0.3 -1,-0.3 0.758 78.5 79.6 -50.8 -27.2 -23.4 -25.2 16.1 25 25 A K H <> S+ 0 0 62 -3,-1.5 4,-3.9 1,-0.2 -1,-0.3 0.858 84.4 60.6 -52.7 -40.0 -24.8 -28.7 16.2 26 26 A V H <> S+ 0 0 0 -3,-2.0 4,-1.6 -4,-0.3 -1,-0.2 0.958 112.8 34.2 -55.3 -56.7 -24.0 -28.9 20.0 27 27 A L H > S+ 0 0 1 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.892 115.9 58.2 -69.6 -32.6 -26.3 -26.0 20.9 28 28 A K H X S+ 0 0 30 -4,-2.9 4,-3.1 1,-0.2 3,-0.3 0.934 102.9 54.8 -59.9 -44.0 -28.7 -27.0 18.1 29 29 A Y H X S+ 0 0 63 -4,-3.9 4,-3.7 1,-0.3 6,-0.3 0.915 104.3 53.3 -56.0 -45.0 -29.0 -30.4 19.8 30 30 A L H <>S+ 0 0 0 -4,-1.6 5,-1.6 1,-0.2 6,-1.4 0.877 113.3 42.7 -61.1 -39.9 -30.0 -28.8 23.1 31 31 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.0 -3,-0.3 9,-0.3 0.893 115.5 50.1 -72.4 -37.9 -32.8 -26.8 21.3 32 32 A Q H 3<5S+ 0 0 78 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.912 109.8 49.6 -65.1 -44.1 -33.7 -29.9 19.3 33 33 A S T 3<5S- 0 0 50 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.426 114.8-120.3 -76.9 2.7 -33.9 -32.1 22.4 34 34 A G T < 5S+ 0 0 31 -3,-1.0 -3,-0.2 -5,-0.2 3,-0.1 0.567 77.8 127.5 69.7 9.0 -36.0 -29.4 24.0 35 35 A K S - 0 0 0 55,-0.5 3,-0.9 -2,-0.4 -1,-0.2 0.964 68.4-179.6 47.2 64.0 -35.8 -22.9 24.4 38 38 A P G > + 0 0 54 0, 0.0 3,-2.2 0, 0.0 2,-0.3 0.797 69.0 75.5 -64.4 -25.8 -37.9 -25.9 23.3 39 39 A S G 3 S+ 0 0 35 1,-0.3 48,-0.1 2,-0.1 4,-0.1 0.056 85.3 65.1 -78.4 29.3 -40.4 -23.5 21.5 40 40 A L G <> + 0 0 2 -3,-0.9 4,-2.6 -2,-0.3 -1,-0.3 0.240 68.8 104.4-119.9 2.9 -37.8 -23.1 18.8 41 41 A K H <> S+ 0 0 98 -3,-2.2 4,-2.6 1,-0.2 3,-0.3 0.937 80.8 48.0 -51.8 -51.8 -38.1 -26.7 17.7 42 42 A D H > S+ 0 0 138 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.929 111.8 49.7 -52.8 -51.9 -40.2 -25.8 14.7 43 43 A L H 4 S+ 0 0 27 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.845 111.9 47.9 -61.7 -34.9 -37.8 -23.1 13.7 44 44 A I H < S+ 0 0 6 -4,-2.6 -1,-0.3 -3,-0.3 -2,-0.2 0.891 118.5 41.4 -71.6 -37.6 -34.8 -25.4 14.0 45 45 A T H < S+ 0 0 81 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.693 87.8 115.1 -82.1 -22.1 -36.6 -28.1 12.0 46 46 A S < - 0 0 27 -4,-2.5 5,-0.1 -5,-0.2 -3,-0.0 -0.129 48.8-162.4 -55.5 142.8 -38.1 -25.9 9.3 47 47 A R + 0 0 250 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.171 47.1 135.5-106.7 14.2 -36.9 -26.4 5.8 48 48 A D > - 0 0 111 1,-0.1 3,-1.0 -5,-0.1 2,-0.1 -0.368 62.8-100.8 -70.3 142.2 -38.3 -23.0 4.8 49 49 A K T 3 S- 0 0 137 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.336 97.6 -1.2 -65.4 134.5 -36.2 -20.7 2.7 50 50 A Y T 3 S- 0 0 56 1,-0.2 -1,-0.2 -2,-0.1 133,-0.1 0.824 85.4-172.0 59.5 36.3 -34.3 -17.8 4.4 51 51 A K < - 0 0 31 -3,-1.0 2,-2.2 1,-0.1 -1,-0.2 -0.373 29.5-115.8 -67.4 138.6 -35.7 -18.8 7.8 52 52 A P S S+ 0 0 13 0, 0.0 32,-2.0 0, 0.0 2,-0.3 -0.428 76.7 105.1 -80.8 68.8 -34.8 -16.2 10.6 53 53 A I E +C 83 0A 1 -2,-2.2 2,-0.4 30,-0.2 30,-0.2 -0.971 39.4 179.3-146.1 134.1 -32.7 -18.4 12.8 54 54 A F E -C 82 0A 3 28,-2.8 28,-2.6 -2,-0.3 2,-0.5 -0.992 4.1-179.5-133.0 123.1 -28.9 -18.3 13.2 55 55 A I E -C 81 0A 0 211,-1.1 26,-0.2 -2,-0.4 -31,-0.1 -0.976 26.9-138.8-125.0 116.5 -27.0 -20.5 15.6 56 56 A S - 0 0 0 24,-2.5 -29,-0.2 -2,-0.5 2,-0.2 -0.047 14.9-102.4 -73.9 169.7 -23.3 -19.8 15.5 57 57 A H - 0 0 8 212,-0.5 2,-0.2 -34,-0.1 23,-0.2 -0.513 56.1 -89.1 -75.1 158.7 -20.2 -22.0 15.5 58 58 A L - 0 0 1 -2,-0.2 7,-2.5 7,-0.1 2,-0.3 -0.534 45.4-144.6 -71.6 139.3 -18.6 -22.0 18.9 59 59 A G E -DE 64 78A 1 19,-2.8 19,-2.6 5,-0.3 2,-0.4 -0.813 11.0-162.2-106.5 146.1 -16.0 -19.3 19.3 60 60 A F E > S-D 63 0A 96 3,-2.2 3,-1.6 -2,-0.3 2,-0.4 -0.993 73.4 -17.5-128.2 138.2 -12.8 -19.5 21.2 61 61 A N T 3 S- 0 0 133 15,-0.5 -2,-0.1 -2,-0.4 3,-0.0 -0.585 127.3 -42.9 58.3-123.3 -11.1 -16.2 22.2 62 62 A Q T 3 S+ 0 0 189 -2,-0.4 2,-0.4 2,-0.1 -1,-0.2 -0.000 123.0 80.1-122.8 25.6 -12.8 -13.7 19.8 63 63 A R E < S-D 60 0A 201 -3,-1.6 -3,-2.2 3,-0.0 76,-0.1 -0.995 83.4-110.5-135.3 137.1 -12.8 -15.8 16.6 64 64 A R E -D 59 0A 34 74,-0.5 2,-0.7 -2,-0.4 -5,-0.3 -0.377 46.3 -98.0 -63.7 146.8 -15.1 -18.6 15.6 65 65 A I - 0 0 40 -7,-2.5 2,-0.5 1,-0.1 -42,-0.2 -0.567 40.0-145.3 -74.1 114.0 -13.4 -21.9 15.6 66 66 A F 0 0 115 -2,-0.7 -1,-0.1 1,-0.2 151,-0.0 -0.695 360.0 360.0 -84.5 122.6 -12.5 -22.4 11.9 67 67 A Q 0 0 81 -2,-0.5 -1,-0.2 151,-0.1 152,-0.1 0.815 360.0 360.0-108.0 360.0 -12.7 -26.1 10.9 68 ! 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 69 73 A K 0 0 222 0, 0.0 -50,-0.6 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 32.1 -8.5 -30.7 17.6 70 74 A T E -G 18 0B 91 -52,-0.2 2,-0.4 -54,-0.0 -52,-0.3 -0.419 360.0-130.7 -78.3 160.6 -9.9 -31.8 21.0 71 75 A I E -G 17 0B 26 -54,-4.9 -54,-2.8 -2,-0.1 -56,-0.1 -0.938 21.3-114.3-119.2 137.0 -10.8 -29.1 23.5 72 76 A T > - 0 0 80 -2,-0.4 3,-0.9 -56,-0.2 -57,-0.2 -0.212 24.3-112.1 -73.6 157.8 -9.7 -29.2 27.1 73 77 A K T 3 S+ 0 0 142 1,-0.2 -1,-0.1 -59,-0.1 -58,-0.1 0.765 114.8 50.5 -57.4 -31.4 -12.0 -29.6 30.0 74 78 A G T 3 S+ 0 0 53 -60,-0.1 -1,-0.2 -62,-0.1 -60,-0.0 0.769 79.9 126.3 -77.6 -25.4 -11.4 -26.1 31.2 75 79 A S < - 0 0 17 -3,-0.9 2,-0.8 1,-0.1 -4,-0.0 0.112 51.8-142.3 -55.0 142.5 -12.0 -24.2 27.9 76 80 A R - 0 0 184 -64,-0.1 -15,-0.5 -66,-0.0 2,-0.2 -0.873 24.2-174.6-105.4 105.4 -14.4 -21.3 27.8 77 81 A L E -B 11 0A 0 -66,-2.4 -66,-2.5 -2,-0.8 2,-0.3 -0.583 10.9-143.1 -99.3 159.6 -16.2 -21.3 24.5 78 82 A S E -BE 10 59A 36 -19,-2.6 -19,-2.8 -68,-0.2 2,-0.3 -0.903 15.9-177.9-122.8 152.5 -18.7 -18.7 23.3 79 83 A S E -B 9 0A 2 -70,-2.3 -70,-2.6 -2,-0.3 2,-0.4 -0.980 10.7-158.8-144.6 158.9 -21.9 -18.9 21.3 80 84 A I E -B 8 0A 30 -2,-0.3 -24,-2.5 -72,-0.2 2,-0.4 -0.999 5.8-173.1-137.3 137.8 -24.5 -16.6 19.8 81 85 A I E +BC 7 55A 0 -74,-2.2 -74,-2.6 -2,-0.4 2,-0.4 -0.999 5.2 179.0-130.8 131.8 -28.1 -17.4 18.8 82 86 A A E +BC 6 54A 0 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.3 -0.985 14.3 147.3-130.1 143.8 -30.4 -15.0 17.0 83 87 A F E -BC 5 53A 0 -78,-2.0 -78,-2.8 -2,-0.4 2,-0.4 -0.993 33.6-142.8-165.3 162.7 -34.0 -15.7 15.9 84 88 A S + 0 0 11 -32,-2.0 2,-0.3 -2,-0.3 -80,-0.1 -0.994 28.2 161.1-135.2 130.4 -37.4 -14.3 15.3 85 89 A T - 0 0 35 -2,-0.4 -82,-0.3 -82,-0.4 4,-0.1 -0.987 42.9-140.1-146.1 152.7 -40.6 -16.3 16.0 86 90 A Q S S+ 0 0 200 -2,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.622 78.7 103.8 -83.5 -15.6 -44.3 -15.5 16.5 87 91 A A S S- 0 0 45 -48,-0.1 2,-0.8 1,-0.1 -2,-0.2 -0.212 87.2-107.2 -62.9 156.5 -44.2 -18.1 19.2 88 92 A N + 0 0 128 1,-0.2 -1,-0.1 2,-0.0 -2,-0.1 -0.805 55.6 152.0 -87.7 116.0 -44.3 -17.0 22.8 89 93 A V >> + 0 0 3 -2,-0.8 4,-1.2 -4,-0.1 3,-0.7 0.342 34.1 108.5-127.2 -1.0 -40.7 -17.8 23.8 90 94 A L T 34 S+ 0 0 119 1,-0.3 4,-0.3 2,-0.2 3,-0.2 0.794 79.2 46.0 -55.3 -41.6 -40.3 -15.2 26.6 91 95 A S T 34 S+ 0 0 98 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.822 114.7 49.9 -71.0 -30.6 -40.4 -17.5 29.6 92 96 A E T X4 S+ 0 0 35 -3,-0.7 3,-2.0 1,-0.2 -55,-0.5 0.665 85.2 83.4 -82.4 -21.6 -37.9 -19.9 27.9 93 97 A V T 3< S+ 0 0 12 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.736 84.5 59.9 -64.4 -23.3 -35.1 -17.5 26.8 94 98 A A T 3 S+ 0 0 56 -3,-0.4 -1,-0.3 -4,-0.3 16,-0.2 0.358 77.6 137.1 -86.4 7.4 -33.4 -17.4 30.2 95 99 A D < + 0 0 52 -3,-2.0 2,-0.3 14,-0.1 -59,-0.1 -0.278 21.3 134.9 -58.8 133.0 -32.8 -21.2 30.0 96 100 A E + 0 0 106 -61,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.951 9.6 102.9-161.5 177.2 -29.4 -22.4 31.1 97 101 A G E -F 108 0A 23 11,-2.2 11,-2.9 -2,-0.3 2,-0.4 -0.904 67.7 -29.8 141.1-164.2 -27.6 -25.1 33.1 98 102 A I E -F 107 0A 97 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.762 60.4-177.1 -90.6 135.6 -25.7 -28.3 33.0 99 103 A F E -F 106 0A 29 7,-2.8 7,-2.7 -2,-0.4 2,-0.5 -0.980 25.4-140.0-138.7 150.3 -26.5 -30.6 30.1 100 104 A E E +F 105 0A 121 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.923 29.6 172.1-107.7 127.3 -25.6 -34.0 28.7 101 105 A T E > -F 104 0A 16 3,-2.2 3,-0.9 -2,-0.5 -75,-0.0 -0.851 48.0-105.1-128.7 167.0 -25.2 -34.2 24.9 102 106 A V T 3 S+ 0 0 117 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.837 123.3 53.1 -60.4 -34.4 -24.0 -36.9 22.6 103 107 A Y T 3 S- 0 0 77 1,-0.3 -85,-0.3 -77,-0.1 2,-0.3 0.694 126.7 -84.9 -76.9 -20.1 -20.8 -34.9 22.2 104 108 A G E < - 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