==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 15-FEB-12 4DQA . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 121 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 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 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 2 4 5 3 3 3 1 2 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 1 1 0 1 0 1 1 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 32 A P 0 0 78 0, 0.0 114,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.9 3.7 87.1 8.9 2 33 A K E -a 115 0A 104 112,-0.1 28,-1.8 115,-0.0 2,-0.4 -0.862 360.0-122.1-129.7 155.8 2.0 84.1 10.5 3 34 A V E +aB 116 29A 0 112,-2.2 114,-1.6 -2,-0.3 2,-0.3 -0.788 44.5 143.9 -98.0 138.7 2.6 81.8 13.5 4 35 A Y E - B 0 28A 55 24,-2.5 24,-3.0 -2,-0.4 2,-0.5 -0.945 50.5 -89.1-158.1 175.2 2.9 78.1 12.9 5 36 A F - 0 0 13 115,-2.5 22,-0.1 -2,-0.3 117,-0.1 -0.895 24.1-156.5-100.4 127.5 4.6 74.9 14.0 6 37 A E S S+ 0 0 104 -2,-0.5 2,-0.5 20,-0.3 -1,-0.1 0.873 85.5 40.2 -71.4 -41.7 7.9 74.1 12.3 7 38 A S - 0 0 34 1,-0.1 -1,-0.2 113,-0.0 117,-0.1 -0.961 69.2-162.6-113.2 124.9 7.8 70.4 12.9 8 39 A K + 0 0 85 -2,-0.5 116,-3.2 1,-0.1 2,-0.3 0.849 67.9 33.8 -72.6 -36.4 4.4 68.8 12.5 9 40 A E E -d 124 0B 72 114,-0.2 2,-0.3 116,-0.0 116,-0.2 -0.956 50.9-178.4-137.9 140.3 5.0 65.5 14.5 10 41 A Y E -d 125 0B 114 114,-2.3 116,-3.4 -2,-0.3 2,-0.4 -0.990 15.2-148.6-134.8 144.2 6.9 64.0 17.4 11 42 A N E +d 126 0B 116 -2,-0.3 2,-0.3 114,-0.2 116,-0.2 -0.948 15.9 177.2-119.7 131.5 7.1 60.4 18.7 12 43 A F E -d 127 0B 53 114,-2.7 116,-2.2 -2,-0.4 2,-0.4 -0.929 21.0-136.7-129.6 152.5 7.5 59.3 22.3 13 44 A S E -d 128 0B 76 -2,-0.3 2,-1.0 114,-0.2 116,-0.2 -0.916 12.4-139.5-110.6 133.2 7.6 55.9 24.0 14 45 A V - 0 0 3 114,-2.7 3,-0.1 -2,-0.4 113,-0.0 -0.825 27.5-151.9 -91.7 102.1 5.8 55.3 27.2 15 46 A E > - 0 0 52 -2,-1.0 3,-1.6 1,-0.2 0, 0.0 -0.241 31.4 -77.9 -70.7 162.5 8.2 53.1 29.2 16 47 A D T 3 S+ 0 0 99 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.302 116.8 10.0 -57.8 141.7 7.1 50.6 31.8 17 48 A E T 3 S+ 0 0 94 1,-0.2 2,-0.4 78,-0.1 -1,-0.3 0.400 92.9 136.9 71.2 -4.9 6.1 52.2 35.1 18 49 A X < + 0 0 53 -3,-1.6 -1,-0.2 1,-0.2 3,-0.1 -0.636 18.1 162.0 -76.9 129.3 6.3 55.6 33.6 19 50 A D + 0 0 73 -2,-0.4 75,-2.3 1,-0.3 2,-0.4 0.634 59.9 34.8-117.3 -26.1 3.4 57.8 34.7 20 51 A V + 0 0 75 72,-0.2 2,-0.3 73,-0.2 -1,-0.3 -0.994 57.6 167.1-136.9 135.9 4.6 61.4 34.0 21 52 A X E -I 91 0C 29 70,-2.1 70,-3.1 -2,-0.4 2,-0.4 -0.988 17.9-146.7-144.7 159.0 6.7 63.0 31.3 22 53 A T E +I 90 0C 66 -2,-0.3 2,-0.3 68,-0.2 68,-0.2 -0.931 15.3 177.4-123.3 147.0 7.4 66.5 30.1 23 54 A F E -I 89 0C 14 66,-2.1 66,-3.2 -2,-0.4 2,-0.3 -0.969 30.1-104.0-144.0 164.0 8.1 67.9 26.6 24 55 A D E -I 88 0C 100 -2,-0.3 2,-0.5 64,-0.2 64,-0.2 -0.659 23.2-160.6 -91.9 139.4 8.8 71.3 25.0 25 56 A L E +I 87 0C 1 62,-2.5 62,-1.8 -2,-0.3 2,-0.4 -0.983 19.3 165.5-123.1 118.7 6.2 73.2 23.0 26 57 A V - 0 0 54 -2,-0.5 -20,-0.3 60,-0.2 2,-0.2 -0.999 13.7-173.3-138.0 130.1 7.4 75.9 20.6 27 58 A S - 0 0 1 -2,-0.4 57,-2.9 58,-0.2 2,-0.3 -0.666 14.0-157.7-108.9 172.0 5.8 77.7 17.7 28 59 A R E -BC 4 83A 33 -24,-3.0 -24,-2.5 55,-0.2 2,-0.3 -0.938 16.8-106.9-145.5 169.4 7.4 80.2 15.3 29 60 A L E -B 3 0A 2 53,-2.2 -26,-0.2 -2,-0.3 3,-0.1 -0.684 22.8-130.8 -93.7 153.1 6.9 83.0 12.9 30 61 A S S S- 0 0 59 -28,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.872 95.9 -3.5 -69.6 -35.6 7.2 82.7 9.1 31 62 A S S S- 0 0 65 -29,-0.2 -1,-0.3 50,-0.1 50,-0.1 -0.976 89.5 -92.7-152.0 155.3 9.5 85.7 9.2 32 63 A A - 0 0 51 -2,-0.3 2,-0.3 48,-0.1 50,-0.1 -0.227 39.6-164.8 -70.8 159.0 10.7 88.0 11.9 33 64 A T - 0 0 43 48,-0.4 47,-2.2 45,-0.2 48,-0.2 -0.846 30.6-108.4-140.8 175.2 8.9 91.3 12.8 34 65 A S S S+ 0 0 107 -2,-0.3 2,-0.3 45,-0.2 45,-0.1 0.460 93.7 49.8 -92.7 -3.7 9.6 94.5 14.7 35 66 A S S S- 0 0 70 43,-0.1 45,-0.2 42,-0.0 -2,-0.2 -0.904 95.0 -85.5-131.1 160.7 7.3 93.9 17.7 36 67 A Q - 0 0 104 -2,-0.3 2,-0.5 43,-0.1 42,-0.2 -0.428 38.7-147.6 -61.6 136.4 6.6 91.1 20.1 37 68 A V E -E 77 0B 2 40,-2.2 40,-2.8 -2,-0.1 2,-0.3 -0.952 10.8-146.7-110.0 122.8 4.2 88.6 18.9 38 69 A D E +E 76 0B 58 -2,-0.5 75,-0.9 38,-0.2 74,-0.6 -0.694 20.4 177.6 -93.4 140.2 2.0 87.0 21.5 39 70 A V E -EF 75 111B 3 36,-2.5 36,-2.5 -2,-0.3 2,-0.3 -0.879 10.2-170.5-133.7 164.8 0.8 83.4 21.3 40 71 A S E -EF 74 110B 33 70,-2.2 70,-2.8 -2,-0.3 2,-0.3 -0.969 11.5-138.1-150.4 170.6 -1.2 80.9 23.2 41 72 A Y E + F 0 109B 5 32,-2.1 2,-0.3 -2,-0.3 68,-0.2 -0.905 16.6 171.7-133.1 156.2 -2.0 77.2 23.1 42 73 A S E - F 0 108B 42 66,-2.0 66,-3.1 -2,-0.3 2,-0.4 -0.979 42.4 -94.4-152.9 162.2 -4.8 74.8 23.6 43 74 A V E - F 0 107B 34 -2,-0.3 64,-0.2 64,-0.2 22,-0.0 -0.682 51.3-121.0 -77.4 129.6 -5.5 71.1 23.1 44 75 A A - 0 0 5 62,-2.6 -1,-0.1 -2,-0.4 5,-0.1 -0.253 34.0 -82.4 -70.1 162.7 -7.1 70.7 19.7 45 76 A E >> - 0 0 135 1,-0.1 3,-2.0 3,-0.0 4,-0.6 -0.300 35.0-120.2 -62.0 143.1 -10.6 69.2 19.2 46 77 A P H >> S+ 0 0 67 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.806 111.0 70.7 -55.2 -28.5 -10.8 65.4 19.1 47 78 A S H 3> S+ 0 0 66 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.750 86.9 65.8 -61.5 -24.1 -12.1 65.7 15.5 48 79 A V H <> S+ 0 0 9 -3,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.902 102.8 46.6 -60.6 -39.6 -8.6 66.8 14.5 49 80 A V H S+ 0 0 25 -4,-2.8 4,-2.0 1,-0.2 5,-0.6 0.897 113.6 47.9 -63.7 -36.2 -6.9 58.9 11.2 54 85 A A H <5S+ 0 0 85 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.906 112.5 48.5 -69.9 -40.7 -9.2 59.1 8.2 55 86 A K H <5S+ 0 0 151 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.881 128.4 23.4 -64.5 -38.3 -6.5 60.7 6.0 56 87 A Y H <5S- 0 0 108 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.459 99.4-121.6-112.3 -5.0 -3.8 58.2 6.9 57 88 A G T <5 + 0 0 69 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.2 0.815 63.6 146.0 67.6 27.7 -5.9 55.1 8.0 58 89 A T < - 0 0 43 -5,-0.6 -1,-0.2 -6,-0.4 -2,-0.0 -0.279 50.1-137.9 -92.0-179.9 -4.2 55.2 11.4 59 90 A N + 0 0 139 -2,-0.1 43,-0.4 -3,-0.1 2,-0.1 -0.059 36.8 158.9-135.8 33.8 -5.7 54.3 14.8 60 91 A Y - 0 0 54 -11,-0.2 2,-0.4 41,-0.1 43,-0.2 -0.348 29.1-145.0 -67.1 137.9 -4.5 57.0 17.2 61 92 A E E -g 103 0B 104 41,-2.6 43,-2.4 -2,-0.1 2,-0.2 -0.869 19.6-118.3-100.2 134.8 -6.4 57.5 20.4 62 93 A X E -g 104 0B 40 -2,-0.4 43,-0.2 41,-0.2 2,-0.1 -0.478 25.3-126.7 -70.6 135.3 -6.8 61.0 21.9 63 94 A L - 0 0 3 41,-2.0 2,-0.3 -2,-0.2 -1,-0.1 -0.500 33.3 -98.5 -73.3 155.0 -5.3 61.5 25.3 64 95 A D > - 0 0 108 -2,-0.1 3,-2.1 1,-0.1 4,-0.1 -0.623 20.6-136.8 -76.5 133.0 -7.6 63.0 28.0 65 96 A V G > S+ 0 0 85 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.747 100.6 71.5 -60.1 -25.5 -7.1 66.8 28.5 66 97 A S G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.714 94.7 53.5 -66.6 -18.9 -7.3 66.2 32.2 67 98 A Q G < S+ 0 0 17 -3,-2.1 25,-2.6 25,-0.1 2,-0.5 0.326 94.6 88.4 -98.5 10.8 -3.9 64.6 32.1 68 99 A V E < +J 91 0C 19 -3,-1.8 2,-0.4 23,-0.2 23,-0.2 -0.924 49.3 175.9-113.4 126.8 -2.3 67.6 30.3 69 100 A K E -J 90 0C 64 21,-2.4 21,-3.4 -2,-0.5 2,-0.4 -0.997 13.7-155.4-128.0 134.3 -0.8 70.6 32.1 70 101 A L E -J 89 0C 42 -2,-0.4 19,-0.2 19,-0.2 3,-0.2 -0.861 22.1-133.2-104.7 143.3 1.0 73.5 30.5 71 102 A S S S- 0 0 83 17,-2.4 2,-0.3 -2,-0.4 -1,-0.1 0.891 95.8 -11.6 -61.7 -37.7 3.5 75.6 32.4 72 103 A S - 0 0 46 16,-0.2 -1,-0.3 1,-0.1 -3,-0.0 -0.957 58.7-136.9-153.1 156.9 1.6 78.5 31.0 73 104 A T S S+ 0 0 82 -2,-0.3 -32,-2.1 -3,-0.2 2,-0.3 0.747 88.4 56.5 -81.6 -28.0 -1.1 78.8 28.3 74 105 A T E +E 40 0B 91 -34,-0.2 -34,-0.3 -3,-0.1 2,-0.2 -0.742 56.0 157.8-108.8 153.1 0.5 81.9 26.8 75 106 A S E -E 39 0B 17 -36,-2.5 -36,-2.5 -2,-0.3 2,-0.3 -0.837 21.4-137.6-148.7-168.5 4.0 82.7 25.4 76 107 A S E -E 38 0B 20 -38,-0.3 9,-2.8 -2,-0.2 2,-0.6 -0.983 12.7-129.5-155.6 159.5 5.6 85.2 23.1 77 108 A I E -E 37 0B 0 -40,-2.8 -40,-2.2 -2,-0.3 7,-0.2 -0.979 37.7-126.3-113.7 115.9 8.1 85.6 20.2 78 109 A S > - 0 0 50 -2,-0.6 3,-2.4 5,-0.4 -45,-0.2 -0.224 37.6 -83.0 -63.1 148.9 10.5 88.4 21.0 79 110 A S T 3 S+ 0 0 65 1,-0.3 -45,-0.2 -45,-0.1 -1,-0.1 -0.235 117.5 16.3 -52.4 133.3 11.0 91.2 18.5 80 111 A G T 3 S+ 0 0 51 -47,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.360 107.7 103.2 83.8 -5.3 13.5 90.1 15.8 81 112 A K < - 0 0 79 -3,-2.4 -48,-0.4 -48,-0.2 -1,-0.3 -0.572 57.4-153.2-105.8 169.0 13.3 86.4 16.7 82 113 A L S S+ 0 0 58 -2,-0.2 -53,-2.2 -50,-0.1 2,-0.4 0.745 71.8 66.4-105.5 -38.5 11.5 83.5 15.0 83 114 A Y B S-C 28 0A 107 -55,-0.2 -5,-0.4 1,-0.1 -55,-0.2 -0.723 76.8-122.9-100.8 138.6 10.8 81.0 17.8 84 115 A A - 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