==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 23-JUN-09 3HZ7 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR F.FOROUHAR,S.LEW,J.SEETHARAMAN,S.SAHDEV,R.XIAO,C.CICCOSANTI, . 74 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4487.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 60 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 18.9 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 . 1 1.4 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 . 8 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.4 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 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 X 0 0 132 0, 0.0 2,-0.4 0, 0.0 31,-0.2 0.000 360.0 360.0 360.0 158.9 36.8 19.1 20.1 2 2 A I E -a 32 0A 54 29,-2.0 31,-3.3 2,-0.0 2,-0.5 -0.997 360.0-163.4-133.0 131.6 35.0 15.9 21.2 3 3 A T E -a 33 0A 82 -2,-0.4 2,-0.6 29,-0.2 31,-0.2 -0.967 4.5-162.2-116.5 121.9 31.7 15.6 23.1 4 4 A I E -a 34 0A 10 29,-2.9 31,-2.9 -2,-0.5 2,-0.9 -0.939 7.5-152.8-104.0 117.9 30.7 12.4 24.7 5 5 A D E +a 35 0A 89 -2,-0.6 31,-0.1 29,-0.2 29,-0.1 -0.833 28.8 159.0 -91.9 110.4 27.0 12.0 25.6 6 6 A A > + 0 0 0 29,-1.8 3,-1.7 -2,-0.9 31,-0.3 -0.042 17.9 144.8-117.5 26.8 27.1 9.5 28.5 7 7 A L T 3 S+ 0 0 60 1,-0.3 3,-0.1 29,-0.2 29,-0.1 -0.447 71.9 19.4 -68.9 137.7 23.7 10.4 29.9 8 8 A G T 3 S+ 0 0 62 1,-0.3 2,-0.3 -2,-0.1 -1,-0.3 0.305 98.1 121.2 87.3 -12.4 21.9 7.4 31.3 9 9 A Q < - 0 0 88 -3,-1.7 2,-0.3 3,-0.0 -1,-0.3 -0.674 57.1-135.1 -90.1 139.4 25.3 5.5 31.6 10 10 A V > - 0 0 106 -2,-0.3 3,-1.6 1,-0.1 -3,-0.0 -0.719 41.7 -55.2 -96.6 147.2 26.4 4.3 35.0 11 11 A C T 3 S+ 0 0 38 -2,-0.3 -1,-0.1 1,-0.3 30,-0.0 -0.122 114.7 26.8 -54.7 149.7 29.9 4.7 36.4 12 12 A P T 3> S+ 0 0 79 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 -0.897 106.5 79.0 -90.7 25.2 32.6 4.0 35.5 13 13 A I H <> S+ 0 0 65 -3,-1.6 4,-2.9 1,-0.2 5,-0.3 0.930 93.1 49.4 -55.2 -52.0 31.5 4.1 31.9 14 14 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.921 113.9 47.1 -56.2 -43.9 31.5 7.9 31.5 15 15 A V H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.824 112.3 49.0 -64.9 -38.5 35.0 8.1 32.9 16 16 A I H X S+ 0 0 86 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.929 111.6 48.5 -67.6 -45.1 36.3 5.2 30.8 17 17 A R H X S+ 0 0 101 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.935 114.4 47.9 -61.6 -41.2 34.9 6.8 27.6 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.923 111.4 48.5 -65.7 -43.6 36.4 10.1 28.6 19 19 A K H X S+ 0 0 110 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.907 110.6 51.1 -65.9 -39.5 39.8 8.6 29.4 20 20 A K H X S+ 0 0 123 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.921 111.1 49.3 -61.6 -44.9 39.9 6.7 26.0 21 21 A A H < S+ 0 0 17 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.898 113.5 46.0 -63.7 -37.8 39.1 9.9 24.2 22 22 A L H >< S+ 0 0 2 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.917 109.8 52.1 -70.6 -43.3 41.8 11.8 26.0 23 23 A A H >< S+ 0 0 67 -4,-2.9 3,-0.5 1,-0.2 -1,-0.2 0.713 106.6 57.6 -64.6 -19.4 44.5 9.1 25.6 24 24 A E T 3< S+ 0 0 138 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.632 86.1 78.1 -87.1 -13.0 43.7 9.2 21.9 25 25 A L T X> S- 0 0 48 -3,-1.3 4,-0.7 -4,-0.5 3,-0.5 0.403 84.3-155.6 -72.6 -6.9 44.4 12.9 21.4 26 26 A G G X4 - 0 0 48 -3,-0.5 3,-1.5 1,-0.2 -1,-0.2 0.035 48.6 -39.3 58.6-169.7 48.1 12.4 21.3 27 27 A E G 34 S+ 0 0 200 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.692 129.5 72.6 -63.4 -21.5 50.7 15.0 22.2 28 28 A A G <4 S- 0 0 87 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.724 86.5-160.2 -72.6 -17.6 48.6 17.6 20.5 29 29 A G << + 0 0 16 -3,-1.5 2,-0.3 -4,-0.7 -1,-0.1 -0.101 17.2 171.4 66.0-175.0 46.0 17.7 23.2 30 30 A G - 0 0 1 44,-0.0 42,-3.6 2,-0.0 43,-1.5 -0.977 34.8 -62.4 158.8-159.2 42.5 19.0 22.7 31 31 A V E - B 0 71A 19 -2,-0.3 -29,-2.0 40,-0.2 2,-0.5 -0.978 30.4-172.4-129.9 132.2 39.2 19.1 24.5 32 32 A V E -aB 2 70A 0 38,-3.3 38,-3.2 -2,-0.4 2,-0.4 -0.979 7.9-171.3-123.6 118.7 36.9 16.4 25.7 33 33 A T E -aB 3 69A 0 -31,-3.3 -29,-2.9 -2,-0.5 2,-0.4 -0.889 5.8-162.8-106.9 144.6 33.5 17.4 27.1 34 34 A V E -aB 4 68A 0 34,-2.6 34,-2.5 -2,-0.4 2,-0.6 -0.993 12.0-144.7-129.7 129.5 31.3 14.7 28.7 35 35 A L E +aB 5 67A 30 -31,-2.9 -29,-1.8 -2,-0.4 2,-0.3 -0.828 29.8 168.6 -93.2 119.1 27.6 14.9 29.4 36 36 A V E - B 0 66A 1 30,-3.0 30,-3.6 -2,-0.6 -29,-0.2 -0.886 33.2-144.7-127.1 158.8 26.6 13.1 32.7 37 37 A D S S+ 0 0 76 -31,-0.3 2,-0.3 -2,-0.3 28,-0.1 0.090 76.2 48.2-111.0 24.3 23.5 13.0 34.8 38 38 A N S > S- 0 0 51 28,-0.1 4,-1.4 1,-0.1 3,-0.4 -0.969 73.3-124.0-161.2 150.0 24.8 12.8 38.4 39 39 A D H > S+ 0 0 69 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.727 106.8 64.3 -63.6 -31.2 27.4 14.6 40.6 40 40 A I H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 102.8 47.7 -61.9 -43.5 29.2 11.4 41.4 41 41 A S H > S+ 0 0 0 -3,-0.4 4,-3.3 2,-0.2 -2,-0.2 0.928 109.7 53.5 -64.1 -41.8 30.1 10.9 37.7 42 42 A R H X S+ 0 0 33 -4,-1.4 4,-2.7 1,-0.2 5,-0.2 0.942 110.0 48.4 -58.3 -46.9 31.3 14.6 37.6 43 43 A Q H X S+ 0 0 64 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 111.3 49.2 -59.4 -44.7 33.5 14.0 40.6 44 44 A N H X S+ 0 0 57 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.931 110.4 51.3 -62.5 -42.6 34.9 10.8 39.1 45 45 A L H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.901 111.9 46.8 -61.0 -41.6 35.6 12.7 35.8 46 46 A Q H X S+ 0 0 46 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.890 110.1 51.6 -70.0 -37.4 37.5 15.5 37.7 47 47 A K H X S+ 0 0 113 -4,-2.5 4,-3.2 -5,-0.2 -1,-0.2 0.912 112.1 47.9 -64.0 -38.7 39.6 13.1 39.8 48 48 A X H X S+ 0 0 24 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.910 112.2 49.7 -67.6 -40.1 40.6 11.3 36.6 49 49 A A H X>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 4,-0.7 0.942 113.9 43.4 -65.2 -46.9 41.4 14.6 35.0 50 50 A E H ><5S+ 0 0 139 -4,-3.1 3,-2.2 3,-0.2 -2,-0.2 0.974 110.6 57.6 -61.9 -49.2 43.5 15.8 37.9 51 51 A G H 3<5S+ 0 0 65 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.909 110.8 42.7 -43.5 -50.1 45.1 12.4 38.0 52 52 A X H 3<5S- 0 0 64 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.540 118.8-111.0 -77.0 -5.1 46.2 12.8 34.4 53 53 A G T <<5S+ 0 0 61 -3,-2.2 2,-0.3 -4,-0.7 -3,-0.2 0.865 70.7 139.1 79.8 34.7 47.3 16.4 34.9 54 54 A Y < - 0 0 60 -5,-2.9 -1,-0.3 -8,-0.1 2,-0.2 -0.845 53.4-121.0-114.0 150.5 44.6 18.0 32.9 55 55 A Q E +C 71 0A 157 16,-1.2 16,-2.7 -2,-0.3 2,-0.3 -0.589 38.5 173.7 -83.1 150.4 42.6 21.1 33.6 56 56 A S E -C 70 0A 26 14,-0.2 2,-0.3 -2,-0.2 14,-0.2 -0.988 16.9-175.9-153.1 160.0 38.8 20.6 33.8 57 57 A E E -C 69 0A 142 12,-1.8 12,-2.7 -2,-0.3 2,-0.3 -0.934 11.7-151.2-147.0 168.9 35.6 22.5 34.7 58 58 A Y E -C 68 0A 91 -2,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.994 4.4-164.4-147.5 151.2 31.9 21.5 34.9 59 59 A L E -C 67 0A 114 8,-2.3 8,-3.0 -2,-0.3 2,-0.9 -1.000 18.9-135.7-139.4 131.5 28.6 23.3 34.5 60 60 A E E -C 66 0A 118 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.805 34.8-174.7 -90.9 106.9 25.2 22.1 35.6 61 61 A K > - 0 0 89 4,-3.1 3,-0.7 -2,-0.9 2,-0.2 -0.015 31.9 -55.0 -90.1-167.7 22.8 22.7 32.8 62 62 A D G > S+ 0 0 153 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 -0.445 115.4 21.0 -76.9 144.8 19.1 22.4 32.3 63 63 A N G 3 S- 0 0 162 1,-0.2 -1,-0.2 -2,-0.2 -2,-0.1 0.785 131.1 -65.6 70.9 32.4 17.2 19.2 33.0 64 64 A G G < S+ 0 0 53 -3,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.475 89.2 149.4 73.3 3.2 19.9 17.9 35.2 65 65 A V < - 0 0 24 -3,-0.9 -4,-3.1 -5,-0.1 2,-0.6 -0.560 30.8-158.6 -73.5 126.9 22.6 17.5 32.6 66 66 A I E -BC 36 60A 7 -30,-3.6 -30,-3.0 -2,-0.4 2,-0.6 -0.917 1.7-158.8-104.5 125.4 26.1 18.1 33.9 67 67 A E E -BC 35 59A 37 -8,-3.0 -8,-2.3 -2,-0.6 2,-0.5 -0.922 6.1-170.1-106.3 121.9 28.8 19.0 31.3 68 68 A V E -BC 34 58A 0 -34,-2.5 -34,-2.6 -2,-0.6 2,-0.5 -0.954 6.6-160.1-110.6 122.9 32.3 18.3 32.3 69 69 A T E -BC 33 57A 38 -12,-2.7 -12,-1.8 -2,-0.5 2,-0.5 -0.891 5.1-167.8-108.2 125.9 35.0 19.8 30.0 70 70 A I E -BC 32 56A 0 -38,-3.2 -38,-3.3 -2,-0.5 2,-0.5 -0.963 4.2-157.9-118.7 130.3 38.5 18.4 30.1 71 71 A V E +BC 31 55A 57 -16,-2.7 -16,-1.2 -2,-0.5 -40,-0.2 -0.901 25.1 164.2-113.4 132.1 41.4 20.1 28.4 72 72 A A S S- 0 0 34 -42,-3.6 -41,-0.2 -2,-0.5 -1,-0.1 0.647 82.5 -50.8-109.4 -34.4 44.6 18.4 27.3 73 73 A G 0 0 43 -43,-1.5 -42,-0.1 -19,-0.0 -44,-0.1 0.502 360.0 360.0 178.1 -3.1 45.8 21.2 25.0 74 74 A E 0 0 144 -44,-0.3 -3,-0.0 0, 0.0 -44,-0.0 0.813 360.0 360.0 -50.7 360.0 43.3 22.6 22.4