==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURE GENOMICS, UNKNOWN FUNCTION 15-JAN-10 3LEQ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN CVNB5; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES AVERMITILIS; . AUTHOR A.J.STEIN,X.XU,H.CUI,J.NG,A.EDWARDS,A.SAVCHENKO,A.JOACHIMIAK . 102 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 72.5 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 . 26 25.5 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 1 1.0 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 . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 35.3 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+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 0 0 1 0 1 0 1 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 0 1 0 2 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 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 9 A H 0 0 175 0, 0.0 5,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 122.1 27.6 24.4 -8.1 2 10 A S > - 0 0 57 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.214 360.0-105.3 -77.4 167.3 31.2 23.2 -8.1 3 11 A Q H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 123.3 52.3 -58.6 -39.1 32.3 19.6 -7.5 4 12 A L H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.911 106.0 53.3 -64.6 -42.4 33.5 20.6 -4.0 5 13 A D H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 30,-0.4 0.895 110.6 47.9 -56.9 -43.1 30.1 22.1 -3.2 6 14 A Q H X S+ 0 0 130 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.890 110.5 50.9 -67.5 -41.9 28.4 18.8 -4.2 7 15 A L H X S+ 0 0 66 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 113.7 44.8 -56.4 -47.5 30.9 16.8 -2.1 8 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 26,-0.2 0.892 114.4 47.9 -65.4 -43.2 30.2 19.0 0.9 9 17 A T H X S+ 0 0 22 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.897 110.7 54.0 -64.7 -37.5 26.4 18.9 0.3 10 18 A G H X S+ 0 0 23 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.901 106.2 50.9 -62.5 -45.2 26.8 15.1 -0.1 11 19 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 7,-0.2 0.937 112.7 46.2 -55.6 -49.4 28.5 14.8 3.3 12 20 A V H < S+ 0 0 30 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.896 114.9 47.7 -63.1 -40.6 25.7 16.8 5.0 13 21 A D H < S+ 0 0 128 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 117.7 38.5 -67.8 -44.5 23.0 14.8 3.2 14 22 A R H < S+ 0 0 150 -4,-2.6 2,-0.9 -5,-0.1 -2,-0.2 0.820 106.3 69.9 -77.7 -33.3 24.4 11.3 3.9 15 23 A V >< - 0 0 7 -4,-2.2 3,-2.0 -5,-0.3 -1,-0.1 -0.770 58.7-166.8-100.7 102.3 25.6 11.9 7.5 16 24 A A T 3 S+ 0 0 88 -2,-0.9 -1,-0.2 1,-0.3 68,-0.1 0.824 90.9 57.4 -48.8 -35.2 22.8 12.4 10.1 17 25 A E T 3 S+ 0 0 59 66,-0.1 67,-2.0 -3,-0.1 2,-0.5 0.685 93.4 77.7 -72.1 -21.4 25.5 13.7 12.5 18 26 A V E < +A 83 0A 4 -3,-2.0 65,-0.2 -7,-0.2 3,-0.1 -0.818 47.4 172.5-102.1 124.1 26.7 16.5 10.2 19 27 A D E - 0 0 72 63,-2.9 2,-0.3 -2,-0.5 64,-0.2 0.833 67.1 -0.8 -93.3 -43.6 24.5 19.7 9.9 20 28 A H E -A 82 0A 61 62,-1.5 62,-2.3 15,-0.0 -1,-0.3 -0.976 58.1-166.6-146.9 157.4 26.8 22.0 7.8 21 29 A A E +A 81 0A 0 -2,-0.3 13,-2.4 60,-0.2 2,-0.3 -0.995 6.6 175.4-147.2 142.4 30.2 22.0 6.2 22 30 A V E -AB 80 33A 0 58,-2.5 58,-3.2 -2,-0.3 2,-0.5 -0.967 22.4-141.3-137.8 158.9 32.5 24.6 4.6 23 31 A V E -AB 79 32A 6 9,-2.6 8,-3.0 -2,-0.3 9,-1.4 -0.995 23.8-164.6-118.6 125.5 36.0 24.7 3.2 24 32 A L E -AB 78 30A 0 54,-2.7 54,-2.4 -2,-0.5 6,-0.2 -0.887 13.7-129.5-111.6 142.5 38.0 27.8 4.1 25 33 A S E > -A 77 0A 23 4,-2.3 3,-1.8 -2,-0.4 52,-0.3 -0.292 39.9 -93.4 -77.1 170.1 41.2 29.1 2.4 26 34 A E T 3 S+ 0 0 86 50,-1.5 51,-0.1 1,-0.3 -1,-0.1 0.834 128.6 54.0 -51.3 -36.5 44.3 30.0 4.4 27 35 A D T 3 S- 0 0 94 49,-0.2 -1,-0.3 2,-0.1 50,-0.1 0.546 123.4-103.4 -79.1 -7.7 43.1 33.6 4.4 28 36 A G S < S+ 0 0 18 -3,-1.8 22,-0.1 1,-0.3 -2,-0.1 0.344 71.5 146.6 101.6 -3.0 39.6 32.7 5.9 29 37 A L - 0 0 123 1,-0.1 -4,-2.3 -5,-0.1 2,-0.7 -0.369 56.6-115.7 -63.5 137.6 37.7 33.0 2.6 30 38 A V E +B 24 0A 43 -6,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.700 37.0 175.1 -74.4 113.8 34.8 30.6 2.1 31 39 A V E - 0 0 83 -8,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.725 67.5 -5.4 -88.3 -28.6 36.0 28.5 -0.9 32 40 A S E -B 23 0A 4 -9,-1.4 -9,-2.6 -3,-0.1 -1,-0.4 -0.977 63.1-174.2-164.1 149.7 33.0 26.1 -0.8 33 41 A K E -B 22 0A 58 -2,-0.3 -11,-0.2 -11,-0.2 -24,-0.2 -0.988 40.1 -89.2-147.7 155.4 30.0 25.4 1.4 34 42 A S > - 0 0 3 -13,-2.4 3,-1.9 -2,-0.3 -28,-0.1 -0.473 47.5-119.5 -61.5 138.3 27.1 22.8 1.7 35 43 A T T 3 S+ 0 0 66 -30,-0.4 -1,-0.1 1,-0.3 -29,-0.1 0.642 108.7 54.2 -67.9 -20.0 24.3 24.3 -0.5 36 44 A G T 3 S+ 0 0 72 2,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.162 86.1 98.3 -94.1 17.9 21.7 24.6 2.3 37 45 A F S < S- 0 0 6 -3,-1.9 5,-0.1 -16,-0.1 -17,-0.0 -0.909 75.4-133.2-108.5 102.5 24.1 26.7 4.4 38 46 A L > - 0 0 123 -2,-0.7 4,-2.7 1,-0.1 3,-0.2 -0.133 17.1-115.5 -55.9 151.4 23.3 30.4 4.0 39 47 A R H > S+ 0 0 168 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 115.6 53.0 -57.9 -40.0 26.1 32.9 3.3 40 48 A D H > S+ 0 0 75 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.910 114.0 42.8 -61.1 -41.7 25.5 34.7 6.6 41 49 A D H > S+ 0 0 77 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.882 114.3 50.0 -73.0 -40.3 25.7 31.4 8.6 42 50 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.913 111.7 47.3 -63.8 -47.5 28.7 30.1 6.6 43 51 A E H X S+ 0 0 90 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.812 109.1 55.7 -66.8 -30.5 30.7 33.3 7.1 44 52 A R H X S+ 0 0 186 -4,-1.4 4,-1.9 -5,-0.2 -2,-0.2 0.916 110.6 44.3 -63.9 -43.8 29.8 33.2 10.8 45 53 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 112.9 53.4 -63.2 -39.1 31.3 29.7 11.0 46 54 A A H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.886 107.0 50.3 -64.5 -38.9 34.2 31.1 9.0 47 55 A A H X S+ 0 0 67 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.881 112.3 48.0 -66.4 -39.6 34.7 34.0 11.5 48 56 A T H X S+ 0 0 71 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.918 112.7 47.4 -64.6 -44.2 34.7 31.5 14.3 49 57 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.901 111.0 50.9 -66.3 -40.1 37.2 29.1 12.6 50 58 A S H X S+ 0 0 53 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.868 110.4 50.0 -67.5 -34.4 39.5 32.0 11.7 51 59 A G H X S+ 0 0 33 -4,-1.7 4,-1.7 2,-0.2 3,-0.4 0.870 108.0 55.1 -67.7 -38.6 39.5 33.1 15.4 52 60 A L H < S+ 0 0 38 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.880 109.8 45.4 -59.6 -41.0 40.3 29.5 16.4 53 61 A X H < S+ 0 0 49 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.544 106.0 58.6 -87.6 -8.6 43.3 29.4 14.2 54 62 A S H < 0 0 102 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.826 360.0 360.0 -80.3 -37.0 44.5 32.8 15.4 55 63 A L < 0 0 178 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.1 0.971 360.0 360.0 -65.4 360.0 44.6 31.5 18.9 56 ! 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 57 77 A R 0 0 181 0, 0.0 15,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.0 46.4 20.9 12.2 58 78 A Q E -C 71 0A 126 13,-0.2 2,-0.3 20,-0.1 13,-0.2 -0.968 360.0-160.6-159.6 159.6 43.0 20.2 13.6 59 79 A A E -C 70 0A 25 11,-2.2 11,-2.9 -2,-0.3 2,-0.4 -0.977 2.7-171.9-150.8 147.9 40.5 21.5 16.2 60 80 A L E -C 69 0A 90 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.984 6.1-176.8-138.8 124.2 37.5 19.9 17.9 61 81 A I E -C 68 0A 65 7,-2.5 7,-2.6 -2,-0.4 2,-0.5 -0.994 8.1-161.4-125.8 121.1 35.3 22.0 20.2 62 82 A E E +C 67 0A 134 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.892 21.7 154.9 -99.7 130.9 32.4 20.4 22.0 63 83 A X - 0 0 93 3,-2.5 3,-0.1 -2,-0.5 -2,-0.0 -0.723 60.3 -87.1-133.3-173.5 29.6 22.5 23.4 64 84 A G S S+ 0 0 75 -2,-0.2 22,-0.1 1,-0.2 3,-0.1 0.917 123.9 59.7 -59.2 -44.1 25.9 22.0 24.3 65 85 A K S S- 0 0 79 1,-0.1 2,-0.3 20,-0.1 -1,-0.2 0.865 121.3 -92.7 -50.1 -45.5 25.0 22.8 20.7 66 86 A G - 0 0 4 19,-0.2 -3,-2.5 20,-0.1 2,-0.3 -0.917 61.1 -47.3 151.8-152.9 27.1 19.9 19.2 67 87 A Y E -C 62 0A 31 17,-0.4 16,-2.5 -2,-0.3 2,-0.5 -0.892 29.0-150.5-116.2 149.7 30.7 20.0 17.9 68 88 A L E -CD 61 82A 5 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.982 26.4-175.1-106.9 124.8 32.7 22.3 15.7 69 89 A I E -CD 60 81A 9 12,-2.5 12,-2.8 -2,-0.5 2,-0.4 -0.986 7.3-174.9-127.1 135.0 35.4 20.2 14.0 70 90 A L E +CD 59 80A 0 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.3 -0.985 7.1 168.4-129.7 135.6 38.2 21.5 11.8 71 91 A T E -CD 58 79A 11 8,-2.4 8,-2.8 -2,-0.4 -13,-0.2 -0.975 40.0 -91.7-141.1 157.4 40.8 19.6 9.8 72 92 A A E - D 0 78A 34 -15,-1.2 2,-0.3 -2,-0.3 6,-0.3 -0.434 24.7-167.2 -65.3 138.9 43.4 20.4 7.0 73 93 A A S S- 0 0 20 4,-2.9 3,-0.3 1,-0.7 4,-0.1 -0.739 71.0 -50.0-121.9 76.1 42.2 19.9 3.4 74 94 A G S > S- 0 0 42 -2,-0.3 3,-1.0 1,-0.2 -1,-0.7 -0.114 89.1 -57.7 73.4 176.9 45.7 20.1 1.9 75 95 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 0.618 132.7 46.0 -65.9 -18.1 48.2 22.9 2.7 76 96 A G T 3 S+ 0 0 44 -3,-0.3 -50,-1.5 -51,-0.0 2,-0.3 0.327 111.2 35.8-112.1 8.4 45.9 25.9 1.6 77 97 A A E < -A 25 0A 17 -3,-1.0 -4,-2.9 -52,-0.3 2,-0.4 -0.988 55.8-142.2-157.7 161.0 42.6 25.1 3.2 78 98 A H E -AD 24 72A 30 -54,-2.4 -54,-2.7 -2,-0.3 2,-0.5 -0.989 16.2-137.2-131.7 139.7 40.6 23.7 6.1 79 99 A L E -AD 23 71A 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.4 -0.824 24.7-168.8 -90.2 132.3 37.4 21.7 6.2 80 100 A V E -AD 22 70A 0 -58,-3.2 -58,-2.5 -2,-0.5 2,-0.4 -0.987 4.4-175.1-128.8 131.2 35.1 22.8 8.9 81 101 A V E -AD 21 69A 0 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.5 -0.945 17.5-151.9-126.8 144.7 31.9 21.0 10.1 82 102 A L E -AD 20 68A 46 -62,-2.3 -63,-2.9 -2,-0.4 -62,-1.5 -0.974 22.0-159.5-109.1 126.8 29.1 21.7 12.5 83 103 A T E -A 18 0A 8 -16,-2.5 -65,-0.2 -2,-0.5 -66,-0.1 -0.626 18.2-110.4 -97.8 163.7 27.5 18.6 14.1 84 104 A R > - 0 0 29 -67,-2.0 3,-1.0 -2,-0.2 -17,-0.4 -0.217 56.6 -69.5 -74.9 175.1 24.1 18.1 15.7 85 105 A Q T 3 S+ 0 0 73 1,-0.2 -19,-0.2 -19,-0.2 -1,-0.1 -0.513 117.0 13.1 -74.5 136.3 23.9 17.4 19.5 86 106 A G T 3 S+ 0 0 80 -2,-0.2 -1,-0.2 1,-0.2 -20,-0.1 0.590 85.2 163.4 78.3 11.9 25.2 14.1 20.7 87 107 A A < - 0 0 12 -3,-1.0 2,-0.8 -70,-0.2 -1,-0.2 -0.213 46.8-110.1 -57.9 148.7 27.0 13.1 17.5 88 108 A D > - 0 0 95 1,-0.2 4,-2.3 2,-0.0 3,-0.3 -0.772 25.2-157.3 -82.9 111.5 29.6 10.4 17.5 89 109 A V H > S+ 0 0 36 -2,-0.8 4,-3.4 1,-0.2 5,-0.2 0.848 90.0 56.8 -58.6 -40.0 32.9 12.3 17.0 90 110 A G H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 108.4 46.7 -58.0 -43.0 34.7 9.1 15.7 91 111 A V H > S+ 0 0 58 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.957 114.9 45.9 -64.5 -50.3 32.0 8.7 13.0 92 112 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.933 112.2 50.5 -60.8 -46.6 32.2 12.3 12.0 93 113 A A H X S+ 0 0 33 -4,-3.4 4,-2.4 2,-0.2 -1,-0.2 0.897 111.1 49.6 -60.1 -40.1 36.0 12.4 11.9 94 114 A Y H X S+ 0 0 136 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.943 111.6 48.6 -61.5 -48.2 36.1 9.3 9.8 95 115 A Q H X S+ 0 0 43 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.903 113.0 47.4 -58.7 -43.5 33.6 10.8 7.3 96 116 A X H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.909 110.9 51.7 -63.7 -42.9 35.6 14.1 7.1 97 117 A N H X S+ 0 0 70 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.900 110.4 48.7 -62.2 -39.7 38.8 12.1 6.6 98 118 A X H X S+ 0 0 80 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.881 110.5 52.0 -66.4 -38.4 37.2 10.2 3.7 99 119 A L H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.927 108.0 49.8 -62.3 -47.7 35.9 13.5 2.2 100 120 A V H < S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.863 110.0 52.7 -60.5 -34.8 39.4 15.0 2.3 101 121 A K H < S+ 0 0 171 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.896 106.3 53.1 -65.4 -41.1 40.7 11.9 0.6 102 122 A K H < 0 0 70 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.803 360.0 360.0 -69.4 -30.6 38.1 12.2 -2.1 103 123 A I < 0 0 102 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.946 360.0 360.0 -69.6 360.0 39.1 15.8 -2.9