==== 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 UNKNOWN FUNCTION 23-SEP-04 1VMF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS HALODURANS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 407 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 66.8 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 . 114 28.0 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 . 3 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 . 33 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 0 0 0 3 3 0 0 3 0 0 0 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 . 0 3 0 3 0 6 6 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 3 0 3 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 H 0 0 157 0, 0.0 30,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.8 57.4 -3.0 -4.7 2 -1 A H - 0 0 78 2,-0.1 131,-0.3 1,-0.1 3,-0.1 0.660 360.0-142.1 -73.1 -15.8 58.2 -0.6 -1.8 3 0 A H + 0 0 39 1,-0.2 130,-1.9 129,-0.1 2,-0.5 0.775 54.8 134.0 55.9 32.3 54.7 1.0 -2.0 4 1 A M E +A 132 0A 36 128,-0.2 2,-0.4 126,-0.0 128,-0.2 -0.929 28.2 174.0-113.8 129.7 56.2 4.4 -1.3 5 2 A K E -A 131 0A 75 126,-2.3 126,-3.1 -2,-0.5 2,-0.4 -1.000 18.1-148.4-134.2 140.0 55.2 7.5 -3.3 6 3 A T E -A 130 0A 71 -2,-0.4 2,-0.4 124,-0.2 124,-0.2 -0.874 13.9-157.1-107.9 140.0 56.1 11.1 -2.9 7 4 A F E -A 129 0A 27 122,-3.1 122,-1.9 -2,-0.4 2,-0.4 -0.920 5.5-141.0-119.8 146.3 53.7 13.9 -3.8 8 5 A H E -A 128 0A 105 -2,-0.4 2,-0.3 120,-0.2 120,-0.2 -0.838 17.8-178.8-107.5 136.9 54.4 17.6 -4.7 9 6 A L E -A 127 0A 21 118,-2.3 118,-2.6 -2,-0.4 2,-0.5 -0.987 17.7-152.0-130.1 145.6 52.3 20.6 -3.7 10 7 A T - 0 0 83 -2,-0.3 2,-0.3 116,-0.2 115,-0.2 -0.976 20.7-152.4-109.4 129.2 52.6 24.3 -4.3 11 8 A T - 0 0 4 113,-2.8 113,-0.2 -2,-0.5 3,-0.0 -0.747 10.5-161.1-105.1 152.9 51.1 26.4 -1.6 12 9 A Q + 0 0 119 -2,-0.3 2,-0.3 111,-0.2 -1,-0.1 0.500 66.7 27.9-115.2 -4.5 49.6 29.9 -2.1 13 10 A S S S- 0 0 54 1,-0.1 109,-0.3 111,-0.1 111,-0.2 -0.934 84.7 -97.1-149.7 170.7 49.5 31.5 1.3 14 11 A R S S+ 0 0 76 -2,-0.3 108,-2.3 108,-0.2 2,-0.5 0.928 113.7 32.3 -55.0 -51.0 51.2 31.4 4.7 15 12 A D S S+ 0 0 25 106,-0.2 2,-0.3 105,-0.1 105,-0.2 -0.944 74.0 154.8-112.8 129.7 48.6 29.1 6.1 16 13 A E E -E 119 0B 55 103,-2.1 103,-3.1 -2,-0.5 2,-0.6 -0.957 28.8-157.4-156.6 129.5 46.8 26.5 4.0 17 14 A M E -E 118 0B 8 -2,-0.3 2,-0.5 101,-0.2 101,-0.2 -0.964 20.2-168.5-110.5 112.5 45.1 23.2 4.7 18 15 A V E -E 117 0B 31 99,-2.6 99,-2.8 -2,-0.6 2,-0.5 -0.899 22.0-126.9-107.5 123.2 45.1 21.1 1.6 19 16 A D E +E 116 0B 61 -2,-0.5 97,-0.2 97,-0.2 4,-0.1 -0.558 32.6 170.5 -73.5 117.9 43.0 18.0 1.4 20 17 A I > + 0 0 0 95,-2.9 4,-1.7 -2,-0.5 5,-0.2 0.209 42.5 110.4-113.7 12.0 45.3 15.2 0.3 21 18 A T H > S+ 0 0 14 94,-0.8 4,-2.6 1,-0.2 5,-0.2 0.906 77.5 53.8 -54.7 -43.4 42.9 12.2 0.9 22 19 A S H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 105.0 52.5 -65.1 -39.6 42.5 11.6 -2.9 23 20 A Q H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 113.2 45.6 -57.3 -44.7 46.3 11.4 -3.5 24 21 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.950 114.8 45.6 -66.7 -47.6 46.6 8.8 -0.8 25 22 A E H X S+ 0 0 35 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.864 110.9 53.5 -64.2 -39.6 43.5 6.8 -1.9 26 23 A T H X S+ 0 0 86 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.907 109.8 48.4 -61.9 -42.5 44.6 6.9 -5.5 27 24 A W H X S+ 0 0 17 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.918 109.0 53.0 -66.4 -42.3 48.0 5.5 -4.6 28 25 A I H X>S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 5,-0.8 0.946 111.1 47.2 -55.7 -47.0 46.5 2.7 -2.5 29 26 A R H <5S+ 0 0 219 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.918 110.9 51.5 -61.2 -43.9 44.3 1.7 -5.5 30 27 A E H <5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.873 110.9 47.5 -61.8 -38.4 47.3 1.8 -7.8 31 28 A T H <5S- 0 0 30 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.699 101.6-133.1 -76.3 -19.7 49.4 -0.5 -5.5 32 29 A G T <5 + 0 0 52 -4,-1.2 2,-0.2 -3,-0.4 -3,-0.2 0.514 48.9 156.3 75.4 6.8 46.6 -3.0 -5.1 33 30 A V < + 0 0 8 -5,-0.8 -1,-0.3 1,-0.2 3,-0.1 -0.483 16.9 178.8 -65.0 131.1 47.1 -3.0 -1.3 34 31 A T + 0 0 76 1,-0.3 71,-2.7 -2,-0.2 72,-0.4 0.782 62.0 18.1-103.4 -38.8 43.9 -4.2 0.3 35 32 A N S S+ 0 0 15 68,-0.2 101,-2.2 69,-0.2 -1,-0.3 -1.000 89.9 65.8-140.8 138.2 44.6 -4.2 4.1 36 33 A G E S-BC 102 135A 0 66,-2.0 66,-2.8 -2,-0.4 2,-0.3 -0.973 75.7 -58.1 155.4-140.5 47.4 -2.7 6.1 37 34 A V E -BC 101 134A 3 97,-2.1 97,-2.7 -2,-0.3 2,-0.5 -0.971 27.1-144.5-141.2 154.5 48.4 0.9 7.0 38 35 A A E -BC 100 133A 0 62,-2.7 62,-3.1 -2,-0.3 2,-0.6 -0.986 9.4-157.6-120.5 125.6 49.4 4.1 5.3 39 36 A I E -BC 99 132A 2 93,-3.1 93,-2.6 -2,-0.5 2,-0.6 -0.926 8.5-166.5-101.1 123.6 52.0 6.4 6.8 40 37 A V E +BC 98 131A 0 58,-2.9 58,-2.4 -2,-0.6 2,-0.4 -0.962 13.9 180.0-115.0 115.7 51.6 9.9 5.5 41 38 A S E -BC 97 130A 2 89,-2.8 89,-2.9 -2,-0.6 56,-0.2 -0.967 24.5-139.8-131.3 126.6 54.6 12.1 6.3 42 39 A S E - C 0 129A 0 54,-3.3 341,-0.2 -2,-0.4 87,-0.2 -0.565 9.9-147.8 -73.0 142.5 55.6 15.7 5.6 43 40 A L S S+ 0 0 38 85,-2.0 342,-0.3 -2,-0.2 2,-0.3 0.212 72.0 86.0 -91.8 14.9 59.2 16.2 4.6 44 41 A H - 0 0 34 3,-0.4 3,-0.3 84,-0.2 -2,-0.1 -0.873 65.7-149.6-126.1 151.0 59.1 19.7 6.3 45 42 A T S S+ 0 0 15 -2,-0.3 46,-0.3 1,-0.2 47,-0.2 0.476 104.7 45.8 -89.3 -5.7 59.6 21.2 9.7 46 43 A T S S+ 0 0 9 1,-0.1 74,-1.5 45,-0.1 2,-0.3 0.201 108.6 55.8-126.4 11.9 57.1 24.0 8.9 47 44 A A E -F 119 0B 0 -3,-0.3 -3,-0.4 72,-0.2 72,-0.2 -0.981 66.3-178.2-139.4 137.6 54.3 22.0 7.3 48 45 A G E -F 118 0B 0 70,-2.1 70,-2.9 -2,-0.3 2,-0.4 -0.469 23.3-114.3-121.2-168.2 52.5 19.1 9.0 49 46 A I E +F 117 0B 0 46,-2.4 2,-0.3 42,-0.3 68,-0.2 -0.999 34.1 163.0-133.3 133.6 49.8 16.4 8.5 50 47 A T E -F 116 0B 2 66,-2.0 66,-3.2 -2,-0.4 2,-0.5 -0.948 31.5-131.8-143.8 164.7 46.5 16.2 10.3 51 48 A V E +F 115 0B 1 -2,-0.3 2,-0.3 64,-0.2 64,-0.2 -0.983 46.4 132.7-117.0 127.1 43.1 14.5 10.0 52 49 A N E -F 114 0B 0 62,-2.3 62,-2.3 -2,-0.5 131,-0.1 -0.886 56.6 -28.0-158.1-168.2 40.1 16.7 10.5 53 50 A E E -F 113 0B 24 -2,-0.3 60,-0.2 129,-0.2 7,-0.1 -0.264 46.8-167.4 -60.5 129.6 36.6 17.7 9.2 54 51 A N S S+ 0 0 58 58,-1.7 -1,-0.1 1,-0.1 59,-0.1 0.114 70.4 46.9-109.9 18.3 36.5 17.3 5.4 55 52 A A S S+ 0 0 57 1,-0.2 -1,-0.1 57,-0.2 3,-0.1 0.671 93.8 61.4-128.8 -44.1 33.3 19.1 4.4 56 53 A D >> - 0 0 41 1,-0.1 3,-2.0 2,-0.0 4,-0.7 -0.866 60.9-157.3 -97.4 112.4 32.9 22.6 5.9 57 54 A P H 3> S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.736 88.6 72.4 -61.9 -19.3 35.8 24.9 4.9 58 55 A D H 3> S+ 0 0 43 1,-0.2 4,-2.2 2,-0.2 159,-0.4 0.736 87.4 62.3 -68.0 -20.6 35.1 27.0 8.0 59 56 A V H <> S+ 0 0 1 -3,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.952 107.8 42.4 -65.1 -47.3 36.6 24.3 10.2 60 57 A K H X S+ 0 0 53 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.912 113.5 52.3 -65.5 -41.2 40.0 24.7 8.4 61 58 A R H X S+ 0 0 140 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.921 112.4 45.5 -58.2 -45.0 39.6 28.5 8.5 62 59 A D H X S+ 0 0 2 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.861 109.7 54.4 -71.1 -36.8 39.0 28.3 12.2 63 60 A M H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.926 110.8 46.0 -60.1 -45.8 41.8 25.9 12.9 64 61 A I H X S+ 0 0 35 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.920 113.6 49.9 -63.1 -41.6 44.2 28.2 11.1 65 62 A M H X S+ 0 0 32 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.943 112.5 45.3 -64.7 -47.7 42.8 31.2 13.1 66 63 A R H >X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 3,-0.6 0.922 111.9 51.5 -63.7 -42.9 43.1 29.5 16.5 67 64 A L H 3X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.854 105.4 57.2 -62.7 -33.8 46.6 28.2 15.8 68 65 A D H 3< S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.787 110.0 44.7 -66.7 -29.7 47.6 31.8 14.8 69 66 A E H << S+ 0 0 98 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.829 113.3 48.5 -80.5 -37.3 46.5 33.0 18.3 70 67 A V H < S+ 0 0 23 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.899 128.0 26.0 -65.5 -42.8 48.1 30.1 20.2 71 68 A Y S < S- 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 19,-0.1 -0.768 86.6-158.5-122.7 81.1 51.3 30.7 18.3 72 69 A P - 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