==== 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 TRANSCRIPTION REGULATOR 10-NOV-10 3PJY . COMPND 2 MOLECULE: HYPOTHETICAL SIGNAL PEPTIDE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SINORHIZOBIUM MELILOTI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 259 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 33.2 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 . 4 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 31 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 2 0 2 2 4 0 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 . 2 0 0 0 0 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 0 A G 0 0 130 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 158.3 6.9 35.9 53.2 2 29 A E - 0 0 189 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.572 360.0-104.9 -70.5 134.2 8.3 33.0 51.3 3 30 A V - 0 0 113 -2,-0.3 2,-0.3 1,-0.0 -1,-0.1 -0.327 49.6-179.5 -56.6 131.9 6.3 32.2 48.1 4 31 A S - 0 0 89 -3,-0.1 2,-0.4 21,-0.0 -1,-0.0 -0.966 19.1-166.0-138.3 155.0 4.2 29.1 48.7 5 32 A Y - 0 0 46 -2,-0.3 22,-0.1 22,-0.1 2,-0.1 -0.983 40.3 -97.7-128.4 149.2 1.8 27.0 46.8 6 33 A A E -A 26 0A 68 20,-0.5 20,-3.0 -2,-0.4 2,-0.4 -0.444 48.1-148.8 -55.0 139.1 -0.6 24.4 48.0 7 34 A K E -A 25 0A 88 18,-0.2 2,-0.3 -2,-0.1 18,-0.2 -0.993 19.2-178.5-132.5 124.4 1.4 21.2 47.3 8 35 A E E -A 24 0A 24 16,-2.8 16,-2.8 -2,-0.4 2,-0.5 -0.885 29.9-123.7-131.1 144.9 -0.3 17.9 46.3 9 36 A R E +A 23 0A 62 -2,-0.3 118,-0.5 14,-0.2 2,-0.3 -0.831 39.6 173.5 -86.5 129.2 0.4 14.2 45.5 10 37 A V E -AB 22 126A 3 12,-2.4 12,-2.8 -2,-0.5 2,-0.4 -0.813 19.0-142.9-130.6 167.8 -1.1 13.4 42.1 11 38 A R E -AB 21 125A 107 114,-2.3 114,-2.8 -2,-0.3 2,-0.4 -0.991 4.3-146.0-138.8 127.2 -0.8 10.3 40.0 12 39 A L E -AB 20 124A 1 8,-2.9 8,-2.3 -2,-0.4 2,-0.5 -0.794 18.2-162.8 -85.0 135.3 -0.6 9.8 36.2 13 40 A I E -AB 19 123A 38 110,-3.1 110,-2.3 -2,-0.4 6,-0.2 -0.979 8.6-145.6-124.5 116.3 -2.4 6.6 35.1 14 41 A T > - 0 0 10 4,-2.9 3,-1.8 -2,-0.5 104,-0.1 -0.359 26.9-109.7 -78.4 161.6 -1.5 5.3 31.7 15 42 A A T 3 S+ 0 0 94 1,-0.3 -1,-0.1 2,-0.1 103,-0.1 0.874 120.5 57.1 -55.8 -35.8 -4.0 3.6 29.4 16 43 A S T 3 S- 0 0 105 2,-0.1 -1,-0.3 1,-0.1 -2,-0.0 0.569 124.1-103.3 -74.7 -7.0 -2.1 0.3 30.1 17 44 A G S < S+ 0 0 52 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.521 72.9 139.3 101.9 3.9 -2.6 0.7 33.8 18 45 A R - 0 0 153 2,-0.0 -4,-2.9 1,-0.0 2,-0.4 -0.600 37.8-149.3 -81.3 145.7 0.8 1.9 35.0 19 46 A T E -A 13 0A 72 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.910 12.8-171.4-118.7 147.0 0.8 4.6 37.6 20 47 A H E -A 12 0A 29 -8,-2.3 -8,-2.9 -2,-0.4 2,-0.3 -0.980 16.0-144.7-139.6 116.2 3.4 7.3 38.3 21 48 A D E +A 11 0A 55 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.614 20.9 176.2 -87.2 142.8 3.3 9.5 41.3 22 49 A L E -A 10 0A 2 -12,-2.8 -12,-2.4 -2,-0.3 2,-0.5 -0.944 26.8-136.4-135.8 158.2 4.2 13.1 41.4 23 50 A T E -Ac 9 47A 5 23,-2.3 25,-1.5 -2,-0.3 2,-0.4 -0.991 32.5-174.9-116.3 124.8 4.2 16.0 43.8 24 51 A V E -Ac 8 48A 1 -16,-2.8 -16,-2.8 -2,-0.5 2,-0.4 -0.918 25.5-132.9-122.8 145.9 3.0 19.2 42.3 25 52 A E E -Ac 7 49A 36 23,-2.0 25,-2.8 -2,-0.4 2,-0.6 -0.814 29.9-129.3 -86.7 138.9 2.6 22.8 43.3 26 53 A L E -Ac 6 50A 34 -20,-3.0 2,-0.7 -2,-0.4 -20,-0.5 -0.814 15.7-165.1 -97.6 116.9 -0.8 24.3 42.5 27 54 A A E + c 0 51A 0 23,-2.6 25,-2.9 -2,-0.6 -22,-0.1 -0.910 25.1 156.0 -98.6 110.9 -0.9 27.6 40.7 28 55 A V + 0 0 70 -2,-0.7 -1,-0.1 23,-0.2 23,-0.1 0.340 46.9 56.3-129.1 -0.0 -4.5 28.8 41.2 29 56 A D S > S- 0 0 78 1,-0.1 4,-2.6 25,-0.0 5,-0.2 -0.880 90.3-101.0-122.7 168.9 -4.8 32.6 40.8 30 57 A P H > S+ 0 0 73 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.885 120.2 49.1 -54.7 -43.9 -3.7 34.8 37.9 31 58 A S H > S+ 0 0 63 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.895 113.0 47.6 -64.9 -38.6 -0.4 35.9 39.5 32 59 A Q H > S+ 0 0 46 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.902 113.6 47.1 -67.4 -45.2 0.6 32.4 40.4 33 60 A R H < S+ 0 0 48 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.888 112.0 49.8 -64.8 -39.1 -0.3 31.0 36.9 34 61 A E H < S+ 0 0 144 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.779 122.1 34.2 -70.3 -22.8 1.6 33.8 35.1 35 62 A Q H >< S+ 0 0 87 -4,-1.2 3,-2.0 -5,-0.2 -1,-0.2 0.437 81.9 136.6-111.5 -3.9 4.7 33.3 37.2 36 63 A G T 3< S- 0 0 7 -4,-1.2 13,-0.1 1,-0.3 -3,-0.0 -0.295 82.5 -3.0 -55.1 122.0 4.6 29.5 37.8 37 64 A L T 3 S+ 0 0 2 1,-0.3 30,-0.4 11,-0.1 31,-0.4 0.419 91.3 143.5 68.1 6.4 8.1 28.0 37.3 38 65 A X S < S+ 0 0 31 -3,-2.0 2,-1.3 1,-0.2 -1,-0.3 -0.388 71.1 10.7 -57.6 145.9 9.8 31.3 36.4 39 66 A Y S S+ 0 0 142 26,-2.7 -1,-0.2 1,-0.2 27,-0.1 -0.025 89.5 132.8 78.1 -31.9 13.3 31.5 37.8 40 67 A R - 0 0 80 -2,-1.3 27,-0.5 -3,-0.2 28,-0.4 -0.267 31.2-177.3 -56.7 134.5 13.6 27.9 39.0 41 68 A R + 0 0 181 1,-0.2 2,-0.3 26,-0.1 -1,-0.1 0.618 67.4 34.6-105.4 -19.5 16.9 26.3 38.0 42 69 A Q + 0 0 165 26,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.984 55.1 168.8-141.2 143.1 16.3 22.8 39.3 43 70 A X - 0 0 19 -2,-0.3 4,-0.0 -3,-0.1 65,-0.0 -0.929 36.9-111.5-154.1 130.4 13.2 20.5 39.7 44 71 A A > - 0 0 25 -2,-0.3 3,-2.0 1,-0.1 65,-0.3 -0.242 30.6-113.3 -61.9 152.8 13.1 16.8 40.7 45 72 A P T 3 S+ 0 0 78 0, 0.0 64,-0.2 0, 0.0 -1,-0.1 0.776 118.3 47.3 -59.3 -26.6 12.0 14.3 38.0 46 73 A D T 3 S+ 0 0 21 62,-0.1 -23,-2.3 -24,-0.1 2,-0.3 0.117 100.3 87.8-103.0 18.8 8.8 13.5 40.0 47 74 A H E < +c 23 0A 45 -3,-2.0 62,-0.6 -25,-0.2 2,-0.3 -0.840 45.9 139.5-114.2 154.8 7.9 17.2 40.6 48 75 A G E -cD 24 108A 3 -25,-1.5 -23,-2.0 -2,-0.3 2,-0.4 -0.938 43.5 -96.8-166.1-170.1 5.9 19.7 38.6 49 76 A X E -cD 25 107A 1 58,-2.0 58,-3.0 -2,-0.3 2,-0.6 -0.995 20.5-152.4-127.4 139.0 3.4 22.4 38.7 50 77 A L E -cD 26 106A 2 -25,-2.8 -23,-2.6 -2,-0.4 2,-0.6 -0.948 10.4-152.4-111.6 116.6 -0.3 22.1 38.1 51 78 A F E -cD 27 105A 3 54,-3.4 54,-1.7 -2,-0.6 2,-0.6 -0.830 8.3-163.6 -92.4 121.3 -2.0 25.2 36.7 52 79 A D E - D 0 104A 43 -25,-2.9 52,-0.2 -2,-0.6 -19,-0.1 -0.921 7.7-171.7-111.7 106.7 -5.7 25.4 37.8 53 80 A F E - 0 0 17 50,-1.9 51,-0.1 -2,-0.6 -1,-0.1 0.558 35.4-126.2 -82.1 -7.9 -7.6 27.9 35.7 54 81 A G E S+ 0 0 65 49,-0.4 2,-0.3 1,-0.1 50,-0.1 0.548 83.9 31.3 77.1 9.9 -10.8 27.7 37.8 55 82 A E E S- 0 0 114 48,-0.3 2,-0.6 47,-0.1 -2,-0.2 -0.956 92.1 -87.1-178.0 170.9 -12.8 26.9 34.7 56 83 A T E + 0 0 81 -2,-0.3 47,-0.2 45,-0.1 20,-0.1 -0.894 65.5 117.6-103.0 119.4 -12.7 25.2 31.3 57 84 A R E - D 0 102A 82 45,-2.4 45,-2.1 -2,-0.6 -2,-0.1 -0.966 69.6 -68.4-164.5 164.8 -11.5 27.4 28.4 58 85 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 42,-0.1 -0.397 54.5-157.4 -63.0 141.4 -8.7 27.6 25.9 59 86 A V - 0 0 0 41,-0.5 39,-2.6 45,-0.1 40,-0.5 -0.905 10.3-151.7-125.9 158.8 -5.4 28.3 27.5 60 87 A X E -H 97 0B 109 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.996 15.0-178.2-136.2 125.8 -2.1 29.8 26.4 61 88 A X E +H 96 0B 19 35,-2.6 35,-3.1 -2,-0.4 2,-0.3 -0.838 4.9 169.1-124.2 154.3 1.3 29.1 27.8 62 89 A W - 0 0 102 -2,-0.3 31,-0.2 33,-0.2 33,-0.1 -0.889 37.2-115.1-150.0-169.0 4.8 30.3 27.1 63 90 A X > + 0 0 3 29,-2.2 3,-2.1 -2,-0.3 28,-1.3 0.081 47.7 151.4-128.4 23.2 8.4 30.2 28.6 64 91 A K T 3 S+ 0 0 74 1,-0.3 28,-0.1 28,-0.2 -2,-0.1 -0.323 81.0 0.7 -53.9 134.5 9.2 33.8 29.5 65 92 A N T 3 S+ 0 0 73 1,-0.2 -26,-2.7 26,-0.2 2,-0.6 0.647 102.2 132.0 58.6 19.2 11.7 33.9 32.5 66 93 A T < + 0 0 7 -3,-2.1 25,-1.5 -28,-0.2 -1,-0.2 -0.907 31.6 176.2-110.2 123.5 11.6 30.1 32.5 67 94 A Y + 0 0 92 -2,-0.6 -1,-0.1 -27,-0.5 -26,-0.1 0.721 57.9 80.2 -94.5 -31.1 15.0 28.4 32.7 68 95 A L S S- 0 0 12 -28,-0.4 2,-0.2 -31,-0.4 23,-0.1 -0.668 81.2-123.7 -80.1 133.9 13.9 24.8 32.9 69 96 A P - 0 0 60 0, 0.0 41,-2.2 0, 0.0 2,-0.3 -0.557 41.7-166.2 -70.5 140.4 12.9 22.9 29.7 70 97 A L E -EF 88 109A 0 18,-0.9 18,-3.1 39,-0.3 2,-0.4 -0.948 28.9-138.2-134.7 149.6 9.4 21.6 30.3 71 98 A D E - F 0 108A 0 37,-2.7 37,-2.2 -2,-0.3 2,-0.5 -0.889 26.7-151.3 -98.0 139.7 6.8 19.2 29.0 72 99 A X E -EF 85 107A 0 13,-2.8 13,-3.0 -2,-0.4 2,-0.5 -0.959 8.6-167.0-114.2 131.3 3.2 20.7 29.1 73 100 A L E -EF 84 106A 0 33,-2.8 33,-2.4 -2,-0.5 2,-0.6 -0.970 11.3-148.9-117.4 127.9 0.1 18.5 29.4 74 101 A F E -EF 83 105A 3 9,-2.9 8,-2.8 -2,-0.5 9,-1.3 -0.861 24.5-167.9-101.4 119.6 -3.3 20.1 28.7 75 102 A I E -EF 81 104A 0 29,-2.6 29,-2.2 -2,-0.6 28,-2.1 -0.905 17.6-130.3-127.2 133.0 -5.9 18.4 30.9 76 103 A A > - 0 0 4 4,-2.9 3,-2.3 -2,-0.4 26,-0.1 -0.245 39.8 -99.1 -69.8 164.4 -9.7 18.3 31.1 77 104 A S T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 25,-0.0 0.790 124.4 55.7 -59.0 -27.7 -11.7 19.0 34.3 78 105 A D T 3 S- 0 0 75 2,-0.1 -1,-0.3 47,-0.0 51,-0.1 0.363 124.2-102.3 -87.8 5.8 -12.1 15.2 34.8 79 106 A G S < S+ 0 0 0 -3,-2.3 45,-2.3 1,-0.3 2,-0.3 0.403 72.5 145.3 90.8 -0.7 -8.3 14.7 34.6 80 107 A T B -G 123 0A 20 43,-0.2 -4,-2.9 1,-0.1 2,-0.6 -0.555 51.3-127.2 -76.4 130.0 -8.1 13.4 31.1 81 108 A I E +E 75 0A 1 41,-3.1 40,-3.2 -2,-0.3 -6,-0.3 -0.668 29.7 178.9 -75.1 113.2 -4.9 14.5 29.2 82 109 A R E - 0 0 107 -8,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.902 61.9 -7.1 -82.2 -52.5 -6.2 16.0 25.9 83 110 A T E -E 74 0A 45 -9,-1.3 -9,-2.9 37,-0.1 2,-0.4 -0.950 59.5-148.0-144.1 161.5 -2.9 17.1 24.3 84 111 A I E -E 73 0A 34 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -1.000 4.3-164.0-136.3 130.4 0.8 17.3 25.2 85 112 A H E -E 72 0A 70 -13,-3.0 -13,-2.8 -2,-0.4 3,-0.4 -0.929 22.9-161.6-111.4 103.3 3.5 19.7 24.1 86 113 A E E + 0 0 80 -2,-0.6 -15,-0.2 -15,-0.2 24,-0.1 -0.509 60.8 16.7 -81.8 153.4 6.8 18.1 24.9 87 114 A N E S- 0 0 99 -2,-0.2 -16,-0.2 1,-0.1 -1,-0.2 0.895 70.0-170.1 58.7 46.0 10.1 20.0 25.2 88 115 A A E -E 70 0A 4 -18,-3.1 -18,-0.9 -3,-0.4 -1,-0.1 -0.387 28.4-111.7 -60.0 148.2 9.0 23.6 25.5 89 116 A V > - 0 0 88 -20,-0.2 3,-2.2 5,-0.1 -23,-0.1 -0.771 23.5-108.0-102.1 123.7 12.0 25.8 25.2 90 117 A P T 3 S+ 0 0 42 0, 0.0 -23,-0.2 0, 0.0 -26,-0.1 -0.195 101.3 2.0 -47.5 131.7 13.6 27.9 28.0 91 118 A H T 3 S+ 0 0 93 -25,-1.5 2,-0.3 -28,-1.3 -26,-0.2 0.358 92.0 146.8 71.7 0.2 12.9 31.6 27.5 92 119 A S < - 0 0 38 -3,-2.2 -29,-2.2 -26,-0.2 -1,-0.2 -0.502 39.6-160.1 -73.0 129.3 10.9 31.1 24.4 93 120 A E + 0 0 127 -2,-0.3 -1,-0.1 -30,-0.2 -29,-0.1 0.388 50.0 129.6 -83.0 2.1 8.1 33.6 23.9 94 121 A A - 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