==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-OCT-11 3U5R . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR R.AGARWAL,S.C.ALMO,S.SWAMINATHAN,NEW YORK STRUCTURAL GENOMIC . 745 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33680.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 12.1 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 . 8 1.1 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 . 50 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.1 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 2 0 4 0 0 0 0 8 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 0 0 2 2 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 . 4 12 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 12 0 0 4 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 26 E K 0 0 183 0, 0.0 2,-0.3 0, 0.0 175,-0.2 0.000 360.0 360.0 360.0 132.0 54.4 -2.1 -42.4 2 27 E T E -A 175 0A 69 173,-2.4 173,-2.6 117,-0.1 2,-0.2 -0.962 360.0-113.4-147.5 162.6 56.9 0.7 -41.5 3 28 E Q E -A 174 0A 114 -2,-0.3 171,-0.2 171,-0.2 118,-0.1 -0.616 42.9 -95.7 -86.2 155.1 57.7 3.0 -38.6 4 29 E S - 0 0 8 169,-2.3 -1,-0.1 -2,-0.2 112,-0.1 -0.241 51.0 -97.2 -62.0 156.4 57.3 6.8 -38.8 5 30 E N - 0 0 81 110,-0.5 2,-1.1 1,-0.1 168,-0.1 -0.334 31.6-104.4 -67.7 157.9 60.4 8.7 -39.8 6 31 E S - 0 0 128 -2,-0.1 2,-0.5 166,-0.1 -1,-0.1 -0.770 47.4-179.0 -82.2 99.7 62.8 10.5 -37.4 7 32 E I - 0 0 40 -2,-1.1 2,-0.2 127,-0.1 127,-0.1 -0.872 31.9-109.2-106.3 136.7 61.8 14.0 -37.9 8 33 E T > - 0 0 109 -2,-0.5 3,-1.5 1,-0.1 123,-0.2 -0.429 32.5-115.0 -69.6 128.9 63.6 16.6 -35.9 9 34 E L T 3 S+ 0 0 89 1,-0.2 123,-0.2 -2,-0.2 3,-0.1 -0.354 100.1 39.4 -59.2 142.4 61.7 18.2 -33.1 10 35 E G T 3 S+ 0 0 39 121,-2.0 -1,-0.2 1,-0.4 122,-0.1 0.117 77.0 143.4 103.2 -16.9 61.1 21.9 -33.7 11 36 E T < - 0 0 65 -3,-1.5 120,-2.5 119,-0.2 -1,-0.4 -0.267 55.7-111.6 -58.9 138.7 60.4 21.6 -37.4 12 37 E R B -B 130 0B 130 118,-0.2 2,-0.3 -3,-0.1 118,-0.2 -0.431 30.4-105.5 -69.1 144.5 57.7 24.0 -38.5 13 38 E A - 0 0 8 116,-1.7 2,-0.2 -2,-0.1 -1,-0.1 -0.563 39.7-123.3 -66.3 129.4 54.3 22.6 -39.6 14 39 E A - 0 0 28 -2,-0.3 2,-0.1 96,-0.1 -1,-0.1 -0.551 24.5-116.3 -78.7 147.3 54.2 22.8 -43.4 15 40 E D + 0 0 106 -2,-0.2 2,-0.3 12,-0.1 -1,-0.1 -0.357 39.8 171.9 -79.9 158.1 51.3 24.8 -44.9 16 41 E F - 0 0 13 -2,-0.1 12,-0.4 2,-0.1 2,-0.3 -0.968 30.7-144.0-152.0 170.1 48.7 23.0 -47.1 17 42 E V + 0 0 90 -2,-0.3 10,-0.2 10,-0.2 93,-0.1 -0.946 35.7 162.0-137.8 122.6 45.4 23.5 -48.7 18 43 E L E -C 26 0C 8 8,-2.0 8,-2.1 -2,-0.3 2,-0.2 -0.992 29.3-124.6-147.4 150.8 43.2 20.4 -48.7 19 44 E P E -C 25 0C 39 0, 0.0 85,-2.2 0, 0.0 6,-0.2 -0.664 9.7-143.0-102.7 151.3 39.5 19.5 -49.2 20 45 E D > - 0 0 19 4,-2.1 3,-2.1 -2,-0.2 83,-0.1 -0.336 47.0 -87.7 -94.0-178.0 37.0 17.7 -47.1 21 46 E A T 3 S+ 0 0 47 81,-0.4 69,-0.1 1,-0.3 82,-0.1 0.642 130.0 53.1 -79.1 -9.4 34.4 15.4 -48.7 22 47 E G T 3 S- 0 0 71 2,-0.1 -1,-0.3 68,-0.0 3,-0.1 0.429 120.8-107.0 -86.8 -6.1 32.0 18.4 -49.1 23 48 E G < + 0 0 49 -3,-2.1 2,-0.1 1,-0.3 -2,-0.1 0.378 69.1 146.6 94.7 -1.5 34.7 20.4 -50.9 24 49 E N - 0 0 85 -5,-0.1 -4,-2.1 1,-0.1 -1,-0.3 -0.464 42.4-135.4 -68.7 140.4 35.4 22.8 -48.0 25 50 E L E -C 19 0C 111 -6,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.748 18.9-166.1-104.2 140.9 39.1 23.8 -48.1 26 51 E F E +C 18 0C 5 -8,-2.1 -8,-2.0 -2,-0.3 2,-0.3 -0.977 10.9 169.8-129.6 140.5 41.4 24.0 -45.1 27 52 E T > - 0 0 35 -2,-0.4 3,-1.7 -10,-0.2 4,-0.3 -0.819 54.4 -89.4-130.2 171.9 44.8 25.5 -44.6 28 53 E L G > S+ 0 0 27 -12,-0.4 3,-2.0 -2,-0.3 4,-0.2 0.832 122.0 68.1 -49.1 -34.5 46.9 26.2 -41.4 29 54 E A G > S+ 0 0 54 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.765 88.6 65.2 -63.2 -23.6 45.2 29.6 -41.0 30 55 E E G < S+ 0 0 63 -3,-1.7 679,-0.3 1,-0.2 -1,-0.3 0.673 107.9 39.6 -72.3 -14.1 41.9 27.8 -40.3 31 56 E F G X S+ 0 0 2 -3,-2.0 3,-2.1 -4,-0.3 -1,-0.2 0.269 80.5 117.7-112.2 14.3 43.4 26.4 -37.0 32 57 E K T < + 0 0 144 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.776 69.5 55.3 -62.4 -31.3 45.3 29.5 -36.0 33 58 E D T 3 S+ 0 0 133 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.606 86.4 91.5 -79.6 -8.4 43.5 30.2 -32.8 34 59 E S < - 0 0 13 -3,-2.1 35,-0.1 1,-0.2 34,-0.1 -0.781 66.5-151.3 -88.2 121.7 44.1 26.7 -31.3 35 60 E P S S+ 0 0 25 0, 0.0 2,-0.4 0, 0.0 94,-0.3 0.849 84.7 46.4 -63.1 -30.4 47.4 26.6 -29.2 36 61 E A E -d 68 0D 0 31,-2.3 33,-2.9 90,-0.1 2,-0.4 -0.930 68.8-172.4-113.2 143.2 47.8 22.9 -30.0 37 62 E L E -dE 69 125D 0 88,-2.3 88,-3.1 -2,-0.4 2,-0.5 -0.985 5.8-164.5-134.9 121.3 47.5 21.4 -33.5 38 63 E L E -dE 70 124D 0 31,-3.1 33,-3.2 -2,-0.4 2,-0.5 -0.926 1.7-167.8-101.9 127.1 47.6 17.7 -34.3 39 64 E V E -dE 71 123D 0 84,-2.7 84,-2.5 -2,-0.5 2,-0.5 -0.966 13.7-172.9-112.6 123.4 48.1 16.7 -37.9 40 65 E A E -dE 72 122D 1 31,-2.7 33,-2.8 -2,-0.5 2,-0.7 -0.966 18.7-153.2-127.1 118.9 47.4 12.9 -38.4 41 66 E F E +dE 73 121D 1 80,-2.6 80,-1.5 -2,-0.5 33,-0.2 -0.830 36.5 155.6 -90.3 115.7 48.0 10.9 -41.5 42 67 E I - 0 0 0 31,-2.1 33,-0.5 -2,-0.7 34,-0.3 -0.577 30.4-139.6-128.9-166.2 45.5 8.1 -41.4 43 68 E S - 0 0 1 -2,-0.2 41,-0.1 3,-0.1 31,-0.0 -0.931 20.9-125.3-154.6 157.5 43.6 5.6 -43.7 44 69 E N S S+ 0 0 11 -2,-0.3 40,-0.1 1,-0.1 -1,-0.0 0.643 107.0 20.0 -83.6 -18.6 40.1 4.1 -44.0 45 70 E R S S+ 0 0 178 5,-0.0 5,-0.1 4,-0.0 -1,-0.1 0.581 81.3 121.6-131.9 -16.2 41.3 0.4 -44.0 46 71 E C >> - 0 0 7 1,-0.1 4,-2.8 2,-0.1 3,-0.9 -0.288 60.3-136.1 -47.8 122.5 44.8 0.1 -42.5 47 72 E P H 3> S+ 0 0 76 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.829 103.9 57.7 -54.3 -30.5 44.5 -2.3 -39.4 48 73 E F H 34 S+ 0 0 29 71,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.842 111.7 40.0 -73.3 -30.5 46.7 -0.0 -37.3 49 74 E V H X> S+ 0 0 0 -3,-0.9 3,-1.0 70,-0.2 4,-0.7 0.861 110.5 57.9 -78.3 -42.8 44.3 2.8 -37.9 50 75 E V H >< S+ 0 0 57 -4,-2.8 3,-1.1 1,-0.2 4,-0.5 0.943 101.2 60.6 -48.3 -47.1 41.2 0.6 -37.4 51 76 E L T 3< S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.835 116.0 27.9 -45.0 -42.0 42.5 -0.3 -34.0 52 77 E I T <> S+ 0 0 6 -3,-1.0 4,-2.8 -4,-0.5 -1,-0.2 0.279 88.3 105.7-112.4 7.3 42.4 3.3 -32.7 53 78 E R H S+ 0 0 107 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.910 116.4 50.0 -63.6 -42.0 37.0 5.0 -32.0 55 80 E A H > S+ 0 0 22 -4,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.854 107.4 53.3 -64.5 -37.2 39.7 6.3 -29.6 56 81 E L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.899 108.8 48.0 -68.3 -41.7 40.8 9.0 -31.9 57 82 E A H X S+ 0 0 17 -4,-1.8 4,-2.3 -5,-0.2 42,-0.2 0.918 115.3 46.9 -64.7 -40.0 37.3 10.3 -32.4 58 83 E K H X S+ 0 0 121 -4,-1.9 4,-3.4 -5,-0.2 -2,-0.2 0.949 112.8 49.3 -63.5 -48.4 36.9 10.2 -28.6 59 84 E F H X S+ 0 0 0 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.947 112.1 46.6 -54.5 -56.0 40.3 11.9 -28.0 60 85 E A H X S+ 0 0 9 -4,-2.9 4,-0.8 1,-0.2 3,-0.4 0.942 115.2 47.4 -58.4 -44.6 39.6 14.7 -30.5 61 86 E G H >< S+ 0 0 47 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.919 106.8 57.4 -59.8 -43.4 36.1 15.3 -29.0 62 87 E D H 3< S+ 0 0 64 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.830 114.6 37.5 -55.8 -39.7 37.5 15.3 -25.5 63 88 E Y H >X>S+ 0 0 9 -4,-1.5 3,-2.8 -3,-0.4 5,-1.2 0.459 83.4 117.0 -94.2 -5.4 39.9 18.2 -26.3 64 89 E A T <<5S+ 0 0 37 -3,-0.9 643,-0.1 -4,-0.8 5,-0.1 -0.470 88.4 19.6 -64.8 120.4 37.6 20.2 -28.6 65 90 E G T 345S+ 0 0 14 3,-0.3 -1,-0.3 -2,-0.3 642,-0.1 0.354 107.1 84.7 98.5 -12.1 37.2 23.4 -26.7 66 91 E Q T <45S- 0 0 126 -3,-2.8 -2,-0.2 2,-0.2 -3,-0.1 0.511 117.0 -89.5 -98.6 -10.3 40.3 22.9 -24.6 67 92 E G T <5S+ 0 0 17 -4,-0.8 -31,-2.3 1,-0.4 2,-0.5 0.395 86.9 124.7 118.8 6.8 42.6 24.3 -27.3 68 93 E L E < -d 36 0D 5 -5,-1.2 2,-0.4 -33,-0.2 -1,-0.4 -0.817 38.4-165.3 -95.0 127.1 43.5 21.3 -29.5 69 94 E A E -d 37 0D 0 -33,-2.9 -31,-3.1 -2,-0.5 2,-0.4 -0.918 8.4-161.3 -98.6 136.7 42.8 21.4 -33.2 70 95 E V E -d 38 0D 7 637,-0.6 2,-0.4 -2,-0.4 -31,-0.2 -0.970 9.5-177.5-118.0 132.4 43.0 18.0 -35.0 71 96 E V E -d 39 0D 0 -33,-3.2 -31,-2.7 -2,-0.4 2,-0.3 -0.976 7.9-162.4-126.9 126.1 43.3 17.6 -38.7 72 97 E A E -df 40 102D 0 29,-2.9 31,-3.1 -2,-0.4 2,-0.4 -0.823 5.0-166.8-104.9 147.7 43.4 14.2 -40.3 73 98 E I E -df 41 103D 0 -33,-2.8 -31,-2.1 -2,-0.3 2,-0.7 -0.987 14.0-157.6-137.2 131.3 44.7 13.6 -43.8 74 99 E N E + f 0 104D 0 29,-2.7 31,-2.4 -2,-0.4 -31,-0.1 -0.940 19.9 167.0-108.3 108.5 44.3 10.5 -46.1 75 100 E S + 0 0 2 -2,-0.7 -1,-0.1 -33,-0.5 2,-0.1 0.316 30.9 128.4-101.6 8.7 47.2 10.6 -48.6 76 101 E N S S- 0 0 5 -34,-0.3 2,-0.5 1,-0.1 104,-0.1 -0.370 71.5-103.3 -74.4 143.2 46.8 7.1 -49.8 77 102 E D > - 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