==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 17-AUG-09 3IPF . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFITOBACTERIUM HAFNIENSE; . AUTHOR S.M.VOROBIEV,Y.CHEN,J.SEETHARAMAN,H.JANJUA,R.XIAO,C.CICCOSAN . 134 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7171.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 83.6 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 . 78 58.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 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 3.0 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 . 20 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 0 0 0 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 0 2 0 3 3 0 0 0 2 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 0 0 0 0 0 0 1 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 22 A N 0 0 102 0, 0.0 54,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 2.8 20.1 42.5 39.6 2 23 A R - 0 0 93 52,-0.1 2,-0.3 50,-0.1 52,-0.2 -0.535 360.0-160.5 -71.9 126.7 21.4 43.2 43.1 3 24 A Q E -A 53 0A 4 50,-3.3 50,-2.1 -2,-0.3 2,-0.5 -0.779 12.2-144.9-112.3 153.5 20.0 46.3 44.7 4 25 A F E -A 52 0A 105 -2,-0.3 74,-1.3 48,-0.2 2,-0.4 -0.967 18.3-176.7-116.2 128.8 21.1 48.5 47.5 5 26 A L E -AB 51 77A 6 46,-3.0 46,-3.4 -2,-0.5 2,-0.4 -0.994 2.7-179.1-127.3 128.1 18.5 50.1 49.8 6 27 A S E +AB 50 76A 25 70,-2.6 70,-2.6 -2,-0.4 2,-0.3 -0.971 4.0 177.8-126.4 145.5 19.2 52.5 52.6 7 28 A L E -AB 49 75A 4 42,-2.0 42,-2.3 -2,-0.4 3,-0.3 -0.995 14.3-151.4-144.2 146.5 16.6 54.1 54.9 8 29 A T S S+ 0 0 24 66,-1.3 40,-0.2 -2,-0.3 39,-0.2 -0.574 74.3 56.2-108.8 177.7 16.8 56.4 57.9 9 30 A G S S+ 0 0 27 37,-0.5 17,-0.6 1,-0.3 2,-0.6 0.743 71.4 146.3 72.4 20.3 14.3 56.6 60.8 10 31 A V E +C 25 0A 3 37,-3.0 -1,-0.3 -3,-0.3 15,-0.2 -0.829 23.3 175.8 -95.0 126.5 14.9 52.9 61.6 11 32 A S E + 0 0 74 13,-2.2 2,-0.3 -2,-0.6 14,-0.2 0.643 60.9 5.4-103.3 -18.8 14.7 52.0 65.3 12 33 A K E -C 24 0A 101 12,-1.3 12,-3.4 35,-0.1 2,-0.7 -0.960 54.2-129.8-167.2 144.7 15.1 48.2 65.3 13 34 A V E -C 23 0A 36 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.902 23.7-171.6 -96.2 115.6 15.7 45.1 63.2 14 35 A Q E - 0 0 31 8,-2.3 2,-0.3 -2,-0.7 -1,-0.2 0.868 65.1 -22.2 -76.0 -39.7 12.9 42.8 64.1 15 36 A S E -C 22 0A 25 7,-1.4 7,-2.5 -3,-0.1 2,-0.4 -0.957 57.4-153.5-167.8 154.5 14.3 39.8 62.3 16 37 A F E +C 21 0A 92 -2,-0.3 5,-0.2 5,-0.2 -3,-0.0 -1.000 20.9 152.2-141.7 138.3 16.7 39.0 59.4 17 38 A D E > -C 20 0A 83 3,-1.5 3,-1.4 -2,-0.4 20,-0.1 -0.946 57.3-104.3-153.0 152.0 17.0 36.1 57.0 18 39 A P T 3 S+ 0 0 62 0, 0.0 19,-2.7 0, 0.0 3,-0.1 0.689 123.5 43.0 -58.7 -12.4 18.4 36.1 53.5 19 40 A K T 3 S+ 0 0 138 1,-0.3 15,-1.8 16,-0.2 2,-0.3 0.511 122.6 25.2-109.8 -5.6 14.8 36.0 52.2 20 41 A E E < -CD 17 33A 59 -3,-1.4 -3,-1.5 13,-0.2 2,-0.4 -0.931 53.2-172.3-161.7 131.9 13.1 38.5 54.5 21 42 A I E -CD 16 32A 0 11,-2.8 11,-2.7 -2,-0.3 2,-0.5 -0.996 8.7-163.1-126.3 128.9 14.1 41.5 56.6 22 43 A L E -CD 15 31A 2 -7,-2.5 -8,-2.3 -2,-0.4 -7,-1.4 -0.966 12.0-176.1-114.3 122.9 11.7 43.1 59.0 23 44 A L E -CD 13 30A 0 7,-2.5 7,-3.0 -2,-0.5 2,-0.5 -0.955 20.6-137.2-121.9 135.3 12.6 46.6 60.2 24 45 A E E +CD 12 29A 51 -12,-3.4 -13,-2.2 -2,-0.4 -12,-1.3 -0.788 39.9 150.3 -91.0 127.2 10.7 48.8 62.7 25 46 A T E > -CD 10 28A 14 3,-2.9 3,-1.2 -2,-0.5 -15,-0.2 -0.680 56.9 -53.5-139.4-164.5 10.4 52.4 61.7 26 47 A I T 3 S+ 0 0 64 -17,-0.6 3,-0.1 1,-0.2 100,-0.1 0.826 128.4 26.4 -45.4 -54.4 8.1 55.4 62.1 27 48 A Q T 3 S- 0 0 97 1,-0.2 2,-0.4 98,-0.2 -1,-0.2 0.305 125.4 -77.2 -97.7 7.0 4.7 54.0 61.0 28 49 A G E < S-D 25 0A 27 -3,-1.2 -3,-2.9 33,-0.1 2,-0.4 -0.983 82.1 -7.9 136.1-147.3 5.3 50.4 61.8 29 50 A V E -D 24 0A 2 33,-0.4 33,-3.0 -2,-0.4 2,-0.5 -0.758 45.3-154.2-100.3 135.5 7.2 47.5 60.2 30 51 A L E -D 23 0A 1 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.5 -0.906 13.7-156.1-102.7 125.5 8.8 47.5 56.8 31 52 A S E -DE 22 59A 4 28,-2.8 28,-1.9 -2,-0.5 2,-0.5 -0.909 8.1-170.5-105.3 128.0 9.1 44.1 55.2 32 53 A I E -DE 21 58A 0 -11,-2.7 -11,-2.8 -2,-0.5 2,-0.3 -0.980 11.8-178.1-117.9 118.1 11.8 43.5 52.6 33 54 A K E +DE 20 57A 97 24,-2.5 23,-3.1 -2,-0.5 24,-2.2 -0.898 29.7 87.0-118.1 149.7 11.4 40.1 50.8 34 55 A G E - E 0 55A 8 -15,-1.8 2,-0.3 -2,-0.3 21,-0.2 -0.917 68.7 -66.0 165.1-140.1 13.6 38.6 48.2 35 56 A E E S+ E 0 54A 95 19,-2.5 19,-2.6 -2,-0.3 -16,-0.2 -0.990 98.6 17.7-148.7 156.7 16.7 36.5 48.2 36 57 A K E S+ 0 0 128 -2,-0.3 2,-0.2 17,-0.2 -17,-0.2 0.865 81.4 167.3 51.1 41.2 20.4 36.7 49.1 37 58 A L E - 0 0 6 -19,-2.7 2,-0.3 16,-0.2 16,-0.2 -0.550 11.0-179.0 -82.2 150.8 19.5 39.7 51.2 38 59 A G E - E 0 52A 18 14,-2.1 14,-2.2 -2,-0.2 2,-0.7 -0.996 31.1-126.7-150.6 146.0 22.0 41.1 53.7 39 60 A I E + E 0 51A 55 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.861 28.3 176.3 -92.7 121.2 22.2 43.9 56.2 40 61 A K E + 0 0 131 10,-2.7 2,-0.3 -2,-0.7 11,-0.2 0.716 64.3 11.9 -97.2 -24.6 25.3 45.8 55.4 41 62 A H E + E 0 50A 81 9,-1.5 9,-2.3 2,-0.0 2,-0.3 -0.975 53.5 176.3-156.9 137.9 25.0 48.6 57.9 42 63 A L E + E 0 49A 73 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.900 5.1 169.6-146.2 114.8 23.0 49.4 61.0 43 64 A D E >> - E 0 48A 57 5,-2.7 5,-2.0 -2,-0.3 4,-1.4 -0.893 9.8-174.0-128.2 99.9 23.5 52.4 63.2 44 65 A L T 45S+ 0 0 102 -2,-0.5 -1,-0.1 2,-0.2 5,-0.1 0.691 84.2 61.1 -67.3 -21.5 20.7 53.0 65.8 45 66 A K T 45S+ 0 0 201 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.916 117.6 31.6 -69.5 -41.3 22.2 56.3 66.9 46 67 A A T 45S- 0 0 62 -3,-0.3 -37,-0.5 2,-0.1 -2,-0.2 0.609 105.5-129.6 -88.9 -13.7 21.6 57.6 63.4 47 68 A G T <5 + 0 0 10 -4,-1.4 -37,-3.0 1,-0.2 2,-0.4 0.748 59.5 146.8 68.7 25.0 18.6 55.4 62.7 48 69 A Q E < + E 0 43A 48 -5,-2.0 -5,-2.7 -40,-0.2 2,-0.3 -0.773 26.4 177.8-102.3 134.4 20.3 54.3 59.5 49 70 A V E -AE 7 42A 0 -42,-2.3 -42,-2.0 -2,-0.4 2,-0.4 -0.976 10.6-162.7-130.5 147.9 20.1 50.9 57.8 50 71 A E E -AE 6 41A 82 -9,-2.3 -10,-2.7 -2,-0.3 -9,-1.5 -0.997 12.6-178.7-130.6 126.6 21.7 49.6 54.6 51 72 A V E -AE 5 39A 1 -46,-3.4 -46,-3.0 -2,-0.4 2,-0.3 -0.911 2.8-173.4-123.9 149.9 20.4 46.5 52.9 52 73 A E E +AE 4 38A 33 -14,-2.2 -14,-2.1 -2,-0.3 2,-0.3 -0.995 31.8 72.6-143.4 149.1 21.5 44.7 49.7 53 74 A G E S-A 3 0A 0 -50,-2.1 -50,-3.3 -2,-0.3 2,-0.8 -0.969 83.5 -33.7 149.8-162.4 20.3 41.8 47.7 54 75 A L E - E 0 35A 33 -19,-2.6 -19,-2.5 -2,-0.3 2,-0.5 -0.860 58.7-155.2 -97.1 107.7 17.6 40.7 45.2 55 76 A I E + E 0 34A 4 -2,-0.8 -21,-0.3 -54,-0.4 42,-0.2 -0.779 25.9 167.1 -92.8 122.7 14.4 42.4 46.3 56 77 A D E + 0 0 70 -23,-3.1 2,-0.3 -2,-0.5 -22,-0.2 0.718 67.8 3.0 -97.9 -32.5 11.1 40.8 45.3 57 78 A A E - E 0 33A 22 -24,-2.2 -24,-2.5 2,-0.0 2,-0.4 -0.999 46.5-162.5-158.7 153.2 8.8 42.9 47.5 58 79 A L E -FE 130 32A 5 72,-2.2 72,-1.6 -2,-0.3 2,-0.4 -0.984 14.8-179.6-138.6 124.9 8.5 45.8 50.0 59 80 A V E -FE 129 31A 27 -28,-1.9 -28,-2.8 -2,-0.4 3,-0.4 -0.996 10.8-158.0-129.9 125.5 5.5 46.3 52.2 60 81 A Y E S+F 128 0A 7 68,-1.6 68,-2.3 -2,-0.4 -30,-0.2 -0.915 77.7 23.4-155.8 124.7 5.1 49.1 54.6 61 82 A P S S- 0 0 63 0, 0.0 -1,-0.4 0, 0.0 -31,-0.2 0.474 92.2-148.4 -79.7 137.7 3.4 49.3 57.0 62 83 A L - 0 0 20 -33,-3.0 -33,-0.4 -3,-0.4 2,-0.2 -0.311 27.3 -91.7 -68.8 153.3 3.3 45.5 57.4 63 84 A E > - 0 0 93 1,-0.1 3,-2.3 -35,-0.1 4,-0.3 -0.463 33.4-123.0 -66.7 137.2 0.2 43.8 58.8 64 85 A H G > S+ 0 0 133 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.864 109.3 57.2 -51.4 -44.4 0.4 43.3 62.5 65 86 A H G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.0 4,-0.1 0.624 101.4 58.0 -66.2 -11.8 -0.0 39.5 62.2 66 87 A H G < S+ 0 0 106 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.430 81.3 108.1 -98.7 1.6 3.0 39.2 59.9 67 88 A H S < S- 0 0 40 -3,-1.8 2,-1.0 -4,-0.3 -36,-0.0 -0.272 85.3-105.8 -67.4 161.5 5.4 40.8 62.4 68 89 A H 0 0 123 -53,-0.0 -1,-0.1 -46,-0.0 -2,-0.1 -0.870 360.0 360.0 -89.9 108.0 7.9 38.4 64.1 69 90 A H 0 0 170 -2,-1.0 -4,-0.0 -4,-0.1 0, 0.0 -0.590 360.0 360.0 -85.9 360.0 6.3 38.3 67.5 70 !* 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 71 22 B N 0 0 144 0, 0.0 54,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 25.3 10.0 62.6 61.2 72 23 B R - 0 0 65 52,-0.1 2,-0.3 50,-0.0 52,-0.2 -0.431 360.0-162.5 -68.3 134.8 11.6 63.2 57.8 73 24 B Q E - G 0 123A 2 50,-3.0 50,-1.7 -2,-0.2 2,-0.5 -0.866 12.1-144.3-118.7 153.2 13.2 60.0 56.3 74 25 B F E - G 0 122A 81 -2,-0.3 -66,-1.3 48,-0.2 2,-0.4 -0.967 16.8-172.7-117.2 130.4 15.8 59.6 53.6 75 26 B L E -BG 7 121A 6 46,-2.9 46,-3.1 -2,-0.5 2,-0.4 -0.991 2.1-173.1-125.9 130.3 15.5 56.5 51.3 76 27 B S E +BG 6 120A 23 -70,-2.6 -70,-2.6 -2,-0.4 2,-0.3 -0.972 8.7 172.9-124.5 137.6 18.1 55.5 48.7 77 28 B L E -BG 5 119A 3 42,-2.4 42,-2.4 -2,-0.4 3,-0.2 -0.998 15.4-156.8-145.5 145.3 17.6 52.7 46.2 78 29 B T S S+ 0 0 24 -74,-1.3 40,-0.2 -2,-0.3 39,-0.2 -0.601 70.6 59.7-111.3 177.2 19.5 51.3 43.2 79 30 B G S S+ 0 0 29 37,-0.5 2,-0.5 1,-0.3 17,-0.5 0.653 70.0 145.9 78.2 13.9 18.2 49.3 40.3 80 31 B V + 0 0 3 37,-2.7 -1,-0.3 -3,-0.2 15,-0.2 -0.753 26.4 179.8 -88.4 125.4 15.8 52.1 39.4 81 32 B S + 0 0 69 13,-2.2 2,-0.3 -2,-0.5 14,-0.2 0.699 63.2 0.6 -97.4 -20.2 15.2 52.4 35.6 82 33 B K E -H 94 0A 103 12,-1.3 12,-3.2 35,-0.1 2,-0.7 -0.980 54.7-126.9-166.5 147.8 12.7 55.4 35.6 83 34 B V E -H 93 0A 39 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.926 26.0-172.3 -98.0 115.6 10.8 57.9 37.7 84 35 B Q E - 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