==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-NOV-06 2NWA . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YTMB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR W.ZHOU,F.FOROUHAR,J.SEETHARAMAN,D.WANG,K.CUNNINGHAM,L.-C.MA, . 640 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 44.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 . 108 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 1.2 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+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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 16 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 8 0 8 8 0 8 0 0 8 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 4 0 0 0 0 0 0 0 3 1 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 96 0, 0.0 171,-0.2 0, 0.0 170,-0.1 0.000 360.0 360.0 360.0 82.8 -3.1 67.3 1.7 2 2 A G + 0 0 33 1,-0.2 170,-0.2 168,-0.1 168,-0.0 0.747 360.0 165.1 28.2 55.1 -2.1 64.7 -1.0 3 3 A X E -A 171 0A 3 168,-1.7 168,-2.1 115,-0.1 2,-0.3 -0.844 20.4-159.6 -98.1 97.1 -3.4 66.9 -3.9 4 4 A P E +A 170 0A 78 0, 0.0 28,-0.4 0, 0.0 2,-0.3 -0.613 16.2 169.4 -84.0 137.1 -2.0 65.3 -7.0 5 5 A V E -A 169 0A 8 164,-2.1 164,-2.1 -2,-0.3 2,-0.4 -0.957 25.4-134.7-140.5 158.5 -1.7 67.3 -10.3 6 6 A E E -Ab 168 33A 54 26,-2.2 28,-3.3 -2,-0.3 2,-0.6 -0.962 12.5-144.7-119.2 132.0 -0.0 66.8 -13.7 7 7 A F E -Ab 167 34A 14 160,-2.3 160,-2.8 -2,-0.4 2,-0.4 -0.858 18.7-169.6 -97.4 122.2 1.9 69.6 -15.4 8 8 A N - 0 0 11 26,-2.5 3,-0.1 -2,-0.6 -2,-0.0 -0.891 20.3-177.4-113.2 140.6 1.6 69.5 -19.2 9 9 A T S S+ 0 0 32 -2,-0.4 33,-0.4 1,-0.1 2,-0.3 0.497 73.1 44.0-109.6 -10.0 3.7 71.6 -21.6 10 10 A L S S- 0 0 31 31,-0.1 2,-0.7 2,-0.0 33,-0.2 -0.976 77.1-122.6-136.9 149.8 1.9 70.4 -24.8 11 11 A I E -d 43 0B 1 31,-2.9 33,-2.7 -2,-0.3 2,-0.7 -0.830 28.2-174.0 -92.5 113.7 -1.6 69.9 -25.9 12 12 A V E -d 44 0B 12 -2,-0.7 2,-0.8 31,-0.2 33,-0.2 -0.885 2.7-169.4-111.3 100.2 -2.0 66.2 -27.1 13 13 A T - 0 0 8 31,-2.3 2,-1.6 -2,-0.7 -2,-0.0 -0.797 14.7-155.4 -90.3 109.8 -5.5 65.7 -28.6 14 14 A K - 0 0 105 -2,-0.8 31,-0.1 1,-0.2 -1,-0.1 -0.028 67.7 -81.8 -73.9 38.5 -6.0 61.9 -29.1 15 15 A G S S+ 0 0 45 -2,-1.6 -1,-0.2 30,-0.1 -2,-0.1 0.646 114.5 112.1 70.4 12.9 -8.4 63.1 -31.8 16 16 A K + 0 0 90 29,-0.1 12,-0.3 12,-0.1 2,-0.1 0.215 41.1 119.9-101.7 14.5 -10.9 63.5 -28.9 17 17 A E - 0 0 60 10,-0.1 2,-0.4 8,-0.0 10,-0.2 -0.468 48.6-151.9 -80.6 153.6 -11.0 67.3 -29.1 18 18 A V E -E 26 0B 82 8,-2.5 8,-1.9 -2,-0.1 2,-0.4 -0.987 8.0-138.1-128.3 130.2 -14.3 69.1 -29.7 19 19 A R E +E 25 0B 148 -2,-0.4 6,-0.2 6,-0.3 3,-0.1 -0.743 19.3 177.5 -88.7 132.7 -14.7 72.5 -31.4 20 20 A I S S+ 0 0 100 4,-1.8 2,-0.2 -2,-0.4 5,-0.2 0.491 74.7 3.4-107.2 -11.0 -17.3 74.8 -29.7 21 21 A D S S- 0 0 102 3,-1.3 -2,-0.0 1,-0.0 0, 0.0 -0.590 101.8 -67.5-146.1-150.7 -16.7 77.6 -32.1 22 22 A E S S+ 0 0 138 -2,-0.2 -3,-0.0 1,-0.1 -1,-0.0 0.944 122.9 3.2 -81.4 -50.0 -14.6 78.3 -35.2 23 23 A N S S+ 0 0 71 2,-0.0 50,-3.4 -3,-0.0 2,-0.5 0.438 112.1 88.9-116.7 -1.3 -11.0 78.3 -33.8 24 24 A I E - F 0 72B 39 48,-0.3 -4,-1.8 31,-0.1 -3,-1.3 -0.849 52.6-178.8-103.6 132.5 -11.6 77.3 -30.2 25 25 A F E -EF 19 71B 14 46,-2.9 46,-1.4 -2,-0.5 2,-0.4 -0.617 18.9-135.3-118.6 176.4 -11.7 73.7 -29.0 26 26 A T E -EF 18 70B 23 -8,-1.9 -8,-2.5 44,-0.2 2,-0.4 -0.998 15.9-170.6-136.3 137.7 -12.2 71.8 -25.8 27 27 A L E - F 0 69B 2 42,-2.5 42,-3.2 -2,-0.4 2,-0.5 -0.997 10.1-151.3-131.1 134.2 -10.2 68.8 -24.6 28 28 A E E - F 0 68B 93 -2,-0.4 2,-0.3 -12,-0.3 40,-0.3 -0.913 17.4-174.4-108.4 126.4 -11.0 66.6 -21.6 29 29 A K E - F 0 67B 13 38,-4.9 38,-3.2 -2,-0.5 2,-0.4 -0.859 27.1-112.0-119.1 155.8 -8.1 65.0 -19.8 30 30 A D E S+ F 0 66B 102 -2,-0.3 36,-0.2 36,-0.2 35,-0.1 -0.713 83.5 16.0 -87.2 133.9 -8.0 62.4 -17.0 31 31 A G S S- 0 0 23 34,-2.8 2,-1.0 -2,-0.4 36,-0.2 -0.036 106.7 -58.9 89.5 162.0 -6.6 63.7 -13.7 32 32 A Y - 0 0 25 -28,-0.4 -26,-2.2 34,-0.1 2,-0.2 -0.712 64.6-170.1 -81.4 104.6 -6.2 67.3 -12.6 33 33 A R E -b 6 0A 33 -2,-1.0 2,-0.5 -28,-0.2 -26,-0.2 -0.629 17.7-145.2 -97.3 155.4 -3.8 68.8 -15.1 34 34 A V E -b 7 0A 4 -28,-3.3 -26,-2.5 -2,-0.2 -29,-0.0 -0.980 20.6-177.3-117.8 121.8 -2.0 72.2 -15.1 35 35 A Y - 0 0 3 -2,-0.5 -26,-0.1 -28,-0.2 2,-0.0 -0.933 36.8-101.5-120.6 144.0 -1.6 73.9 -18.4 36 36 A P - 0 0 11 0, 0.0 21,-0.5 0, 0.0 2,-0.3 -0.429 45.5-138.5 -59.2 137.3 0.3 77.2 -19.1 37 37 A X S S- 0 0 5 1,-0.2 21,-0.1 19,-0.1 108,-0.0 -0.761 72.8 -0.9-103.9 149.1 -2.5 79.8 -19.5 38 38 A E S S+ 0 0 89 19,-1.8 -1,-0.2 -2,-0.3 20,-0.1 0.447 106.3 117.5 58.7 -5.2 -2.6 82.6 -22.2 39 39 A I S S- 0 0 28 18,-0.1 18,-0.5 1,-0.0 2,-0.2 -0.812 70.3-119.0 -99.1 132.1 0.7 81.2 -23.3 40 40 A P E + G 0 56B 75 0, 0.0 2,-0.3 0, 0.0 16,-0.2 -0.448 41.9 166.0 -69.7 135.7 1.2 79.7 -26.8 41 41 A X E - G 0 55B 12 14,-2.5 14,-2.2 -2,-0.2 2,-0.1 -0.926 37.4 -83.9-144.8 168.0 2.2 76.0 -26.9 42 42 A D E - G 0 54B 53 -33,-0.4 -31,-2.9 -2,-0.3 2,-0.4 -0.433 34.4-159.8 -76.9 146.1 2.4 73.1 -29.3 43 43 A V E +dG 11 53B 5 10,-2.2 9,-2.5 -33,-0.2 10,-1.1 -0.993 15.6 168.5-129.1 134.4 -0.6 70.9 -30.2 44 44 A R E -d 12 0B 63 -33,-2.7 -31,-2.3 -2,-0.4 7,-0.1 -0.962 40.5-130.4-144.2 159.1 -0.4 67.4 -31.6 45 45 A K S S- 0 0 110 5,-0.5 2,-0.2 -2,-0.3 -29,-0.1 0.905 90.9 -5.1 -73.9 -43.9 -2.6 64.4 -32.3 46 46 A T S S- 0 0 56 4,-0.2 -33,-0.1 -32,-0.1 -1,-0.1 -0.725 79.4 -91.6-138.4-174.4 -0.2 61.9 -30.7 47 47 A K 0 0 79 -2,-0.2 -2,-0.0 1,-0.2 -1,-0.0 0.672 360.0 360.0 -76.2 -19.2 3.2 61.6 -29.1 48 48 A F 0 0 87 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.811 360.0 360.0 -91.5 360.0 4.6 60.8 -32.5 49 ! 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 50 50 A E 0 0 148 0, 0.0 -5,-0.5 0, 0.0 -4,-0.2 0.000 360.0 360.0 360.0 119.9 4.3 65.6 -35.5 51 51 A K - 0 0 56 1,-0.2 27,-0.9 -7,-0.1 -7,-0.2 -0.127 360.0-176.2 -47.6 122.3 3.3 69.2 -34.6 52 52 A S - 0 0 55 -9,-2.5 25,-1.6 1,-0.3 2,-0.3 0.619 56.2 -63.0 -95.9 -19.0 -0.3 69.9 -35.7 53 53 A G E -GH 43 76B 1 -10,-1.1 -10,-2.2 23,-0.3 2,-0.4 -0.987 52.1 -75.7 162.8-170.0 -0.3 73.6 -34.8 54 54 A T E +GH 42 75B 27 21,-2.0 20,-2.0 -2,-0.3 21,-1.3 -0.938 43.4 167.5-123.3 145.7 -0.1 76.2 -32.1 55 55 A A E -GH 41 73B 0 -14,-2.2 -14,-2.5 -2,-0.4 2,-0.4 -0.941 25.7-139.4-150.5 171.3 -2.7 77.1 -29.6 56 56 A E E -GH 40 72B 53 16,-1.7 16,-2.4 -2,-0.3 2,-0.1 -0.961 25.3-123.5-141.1 119.2 -3.4 79.1 -26.3 57 57 A V E + H 0 71B 1 -18,-0.5 -19,-1.8 -21,-0.5 14,-0.3 -0.399 25.5 179.4 -62.6 128.0 -5.6 77.9 -23.5 58 58 A Q E + 0 0 64 12,-3.4 88,-0.5 1,-0.3 2,-0.3 0.704 69.0 12.6-100.0 -29.7 -8.4 80.4 -22.7 59 59 A K E -IH 145 70B 56 11,-1.8 11,-2.7 86,-0.1 2,-0.4 -0.999 58.5-171.1-149.7 148.7 -10.0 78.4 -19.9 60 60 A L E -IH 144 69B 0 84,-1.7 84,-2.7 -2,-0.3 2,-0.4 -0.993 9.4-177.8-142.3 130.3 -9.2 75.4 -17.7 61 61 A Q E -IH 143 68B 32 7,-1.6 7,-1.9 -2,-0.4 2,-0.4 -0.975 14.9-151.9-135.0 148.4 -11.5 73.6 -15.2 62 62 A W E +IH 142 67B 0 80,-3.0 80,-2.0 -2,-0.4 2,-0.2 -0.925 27.6 150.2-114.4 139.0 -11.2 70.7 -12.8 63 63 A E E > -IH 141 66B 68 3,-2.5 3,-1.7 -2,-0.4 78,-0.1 -0.831 62.6 -6.2-171.1 128.2 -14.1 68.5 -11.8 64 64 A E T 3 S- 0 0 140 76,-0.6 -33,-0.1 1,-0.3 3,-0.1 0.939 124.4 -52.2 47.6 65.5 -14.5 64.9 -10.7 65 65 A G T 3 S+ 0 0 27 1,-0.1 -34,-2.8 -35,-0.1 2,-0.3 0.492 121.6 98.2 55.5 2.7 -10.9 63.7 -11.2 66 66 A R E < -FH 30 63B 83 -3,-1.7 -3,-2.5 -36,-0.2 2,-0.4 -0.825 58.8-149.7-120.9 161.1 -11.0 65.1 -14.8 67 67 A T E -FH 29 62B 0 -38,-3.2 -38,-4.9 -2,-0.3 2,-0.4 -0.996 7.5-168.9-130.3 133.5 -9.8 68.3 -16.4 68 68 A I E -FH 28 61B 46 -7,-1.9 -7,-1.6 -2,-0.4 2,-0.3 -0.985 8.8-165.3-125.0 122.5 -11.3 70.0 -19.5 69 69 A I E -FH 27 60B 1 -42,-3.2 -42,-2.5 -2,-0.4 2,-0.5 -0.777 13.0-151.1-109.1 153.0 -9.5 72.8 -21.3 70 70 A T E +FH 26 59B 16 -11,-2.7 -12,-3.4 -2,-0.3 -11,-1.8 -0.965 26.3 178.8-121.1 111.0 -10.8 75.3 -23.9 71 71 A Y E -FH 25 57B 7 -46,-1.4 -46,-2.9 -2,-0.5 2,-0.6 -0.839 27.8-132.3-118.8 156.4 -8.1 76.5 -26.2 72 72 A K E -FH 24 56B 83 -16,-2.4 -16,-1.7 -2,-0.3 2,-0.6 -0.915 22.1-137.2-104.9 116.3 -7.8 78.8 -29.2 73 73 A L E + H 0 55B 28 -50,-3.4 -18,-0.3 -2,-0.6 3,-0.1 -0.643 23.4 179.9 -75.1 118.1 -6.0 77.4 -32.2 74 74 A T E - 0 0 59 -20,-2.0 2,-0.3 -2,-0.6 -19,-0.2 0.524 60.3 -4.6 -98.8 -7.4 -3.7 80.2 -33.5 75 75 A S E - H 0 54B 50 -21,-1.3 -21,-2.0 -23,-0.0 2,-0.3 -0.936 58.6-124.7-177.7 155.7 -2.1 78.3 -36.4 76 76 A L E - H 0 53B 106 -2,-0.3 -23,-0.3 -23,-0.2 3,-0.2 -0.850 18.8-157.2-109.6 146.6 -1.7 75.0 -38.3 77 77 A H S S+ 0 0 95 -25,-1.6 2,-1.9 -2,-0.3 -1,-0.2 0.796 74.9 6.4 -88.3-102.2 1.6 73.3 -38.9 78 78 A S S S+ 0 0 89 -27,-0.9 2,-1.2 1,-0.0 -1,-0.2 -0.484 73.4 178.4 -84.0 68.2 2.1 70.8 -41.8 79 79 A V - 0 0 108 -2,-1.9 -3,-0.0 -3,-0.2 -27,-0.0 -0.600 20.4-146.6 -75.6 98.9 -1.4 71.3 -43.3 80 80 A N 0 0 128 -2,-1.2 -1,-0.0 1,-0.1 -2,-0.0 -0.116 360.0 360.0 -62.4 162.0 -1.2 69.0 -46.3 81 81 A L 0 0 195 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.199 360.0 360.0 -62.1 360.0 -3.0 69.7 -49.6 82 !* 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 83 1 B X 0 0 141 0, 0.0 -44,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 17.3 6.4 83.7 -20.0 84 2 B G - 0 0 17 1,-0.1 170,-0.2 170,-0.1 168,-0.0 -0.017 360.0-116.5 -55.6 165.6 6.3 81.5 -17.0 85 3 B X E -O 253 0C 4 168,-2.0 168,-2.7 -49,-0.1 2,-0.4 -0.893 32.5-162.6-110.8 99.5 3.1 80.1 -15.7 86 4 B P E +O 252 0C 77 0, 0.0 28,-0.4 0, 0.0 2,-0.3 -0.698 15.1 167.5 -87.4 132.9 2.5 81.4 -12.1 87 5 B V E -O 251 0C 7 164,-1.6 164,-2.0 -2,-0.4 2,-0.4 -0.928 25.5-136.7-137.5 160.2 0.0 79.7 -9.8 88 6 B E E -Op 250 115C 53 26,-1.9 28,-3.2 -2,-0.3 2,-0.6 -0.975 12.6-141.6-122.8 132.9 -0.7 80.0 -6.1 89 7 B F E -Op 249 116C 16 160,-1.8 160,-1.3 -2,-0.4 2,-0.4 -0.841 19.5-168.8 -96.9 125.1 -1.3 77.0 -3.8 90 8 B N - 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