==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JUN-10 3NQK . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES OVATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 305 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 34.4 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 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 . 43 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 1 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 RESIDUES PER ALPHA HELIX . 0 1 0 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 PARALLEL BRIDGES PER LADDER . 2 3 1 5 4 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 1 0 0 0 1 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 31 A Q 0 0 91 0, 0.0 2,-0.4 0, 0.0 38,-0.2 0.000 360.0 360.0 360.0 138.3 52.3 4.7 60.6 2 32 A Y E -A 38 0A 124 36,-1.8 36,-2.3 2,-0.0 2,-0.5 -0.876 360.0-152.0-115.3 132.7 51.7 7.5 58.1 3 33 A V E +A 37 0A 4 -2,-0.4 132,-0.3 34,-0.2 2,-0.3 -0.924 31.1 149.6-108.1 126.5 48.6 8.0 56.0 4 34 A S E -A 36 0A 21 32,-2.5 32,-3.5 -2,-0.5 2,-0.2 -0.905 43.4 -96.8-150.2 169.9 48.9 9.7 52.6 5 35 A F E -A 35 0A 21 131,-0.3 2,-0.4 -2,-0.3 30,-0.2 -0.627 24.4-158.4 -89.0 149.4 47.7 10.1 49.0 6 36 A K - 0 0 131 28,-2.4 4,-0.1 -2,-0.2 131,-0.1 -0.771 9.0-172.6-132.9 91.9 49.2 8.2 46.1 7 37 A A - 0 0 22 -2,-0.4 26,-0.1 2,-0.2 4,-0.1 -0.268 42.5-100.9 -68.4 165.1 48.5 9.8 42.7 8 38 A P S S+ 0 0 103 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.854 104.2 27.2 -57.2 -37.4 49.6 7.8 39.5 9 39 A I S S- 0 0 99 9,-0.2 -2,-0.2 1,-0.1 3,-0.1 -0.848 94.1 -90.4-127.1 160.9 52.8 10.0 39.1 10 40 A A - 0 0 88 -2,-0.3 8,-0.3 1,-0.1 -1,-0.1 -0.212 52.2 -95.1 -61.8 157.0 55.1 12.0 41.4 11 41 A S - 0 0 65 6,-0.1 6,-0.3 1,-0.1 -1,-0.1 -0.378 45.6-111.4 -70.2 156.1 54.3 15.7 42.0 12 42 A G - 0 0 45 4,-2.9 3,-0.2 -3,-0.1 -1,-0.1 0.151 48.4 -62.7 -76.3-161.2 56.0 18.2 39.7 13 43 A S S S+ 0 0 136 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.794 131.5 31.5 -56.3 -36.8 58.7 20.8 40.5 14 44 A D S S- 0 0 43 2,-0.1 -1,-0.2 0, 0.0 50,-0.0 0.634 124.4 -82.9-103.4 -21.2 56.6 23.0 42.9 15 45 A G S S+ 0 0 28 1,-0.3 123,-0.5 -3,-0.2 2,-0.4 0.407 85.4 127.0 129.3 5.2 54.3 20.4 44.6 16 46 A V - 0 0 4 121,-0.1 -4,-2.9 123,-0.1 2,-0.5 -0.775 45.0-151.1 -98.4 132.3 51.5 20.0 42.1 17 47 A T E -d 139 0B 15 121,-3.1 123,-3.2 -2,-0.4 2,-0.6 -0.885 13.7-141.3-101.6 124.9 50.3 16.6 40.8 18 48 A T E -d 140 0B 35 -2,-0.5 2,-0.4 -8,-0.3 123,-0.2 -0.750 18.9-172.7 -89.1 124.1 48.8 16.6 37.3 19 49 A I E -d 141 0B 3 121,-2.4 123,-2.9 -2,-0.6 2,-0.5 -0.941 13.2-144.5-117.3 142.5 45.9 14.4 36.8 20 50 A Y E +d 142 0B 77 -2,-0.4 2,-0.4 121,-0.2 121,-0.1 -0.902 18.3 179.8-106.7 122.5 44.3 13.7 33.4 21 51 A V E -d 143 0B 5 121,-1.7 123,-1.7 -2,-0.5 2,-0.3 -0.982 26.0-124.7-125.2 132.8 40.5 13.1 33.2 22 52 A R E -d 144 0B 18 -2,-0.4 2,-0.8 121,-0.2 123,-0.2 -0.578 16.4-131.7 -78.2 131.1 38.6 12.5 30.0 23 53 A Y + 0 0 15 121,-2.5 3,-0.1 -2,-0.3 6,-0.1 -0.754 46.9 155.5 -77.9 110.7 35.7 14.8 29.2 24 54 A K - 0 0 82 -2,-0.8 2,-0.7 1,-0.2 159,-0.2 0.542 46.0 -1.9-107.3-110.1 33.0 12.3 28.3 25 55 A D S > S- 0 0 131 3,-0.5 3,-1.5 1,-0.3 -1,-0.2 -0.808 134.9 -21.8-103.5 113.5 29.2 12.5 28.4 26 56 A N T 3 S- 0 0 60 -2,-0.7 81,-0.5 1,-0.2 -1,-0.3 0.596 115.0 -83.4 59.5 8.7 27.9 15.8 29.6 27 57 A G T 3 S+ 0 0 0 1,-0.2 79,-2.4 79,-0.2 2,-0.5 0.614 86.1 145.1 77.0 14.6 31.4 15.9 31.2 28 58 A K E < + B 0 105A 98 -3,-1.5 -3,-0.5 77,-0.2 2,-0.3 -0.754 19.6 157.6 -85.3 124.3 30.7 13.8 34.3 29 59 A V E - B 0 104A 13 75,-2.0 75,-3.0 -2,-0.5 2,-0.4 -0.992 32.4-135.1-148.1 147.6 33.7 11.7 35.1 30 60 A T E - B 0 103A 75 -2,-0.3 2,-0.5 73,-0.2 73,-0.2 -0.886 11.4-163.2-108.7 137.6 35.1 10.0 38.2 31 61 A Y E - B 0 102A 27 71,-3.4 71,-3.2 -2,-0.4 2,-0.6 -0.980 9.8-148.9-117.7 132.6 38.7 10.1 39.4 32 62 A Q E - B 0 101A 102 -2,-0.5 69,-0.2 69,-0.2 67,-0.0 -0.874 11.4-170.7-106.7 117.3 39.9 7.6 41.9 33 63 A L E - B 0 100A 0 67,-2.2 67,-2.4 -2,-0.6 -26,-0.1 -0.919 21.2-130.2-109.7 115.9 42.7 8.8 44.2 34 64 A P E - B 0 99A 32 0, 0.0 -28,-2.4 0, 0.0 2,-0.5 -0.406 10.9-154.6 -68.5 137.7 44.3 6.1 46.4 35 65 A I E -AB 5 98A 0 63,-2.9 63,-1.9 -30,-0.2 2,-0.4 -0.967 19.8-163.6-109.9 125.5 44.7 6.7 50.1 36 66 A I E -AB 4 97A 29 -32,-3.5 -32,-2.5 -2,-0.5 2,-0.7 -0.910 20.5-151.9-120.1 136.8 47.6 4.6 51.4 37 67 A V E -A 3 0A 7 59,-2.7 2,-0.3 -2,-0.4 -34,-0.2 -0.878 25.6-164.8-106.8 99.4 48.6 3.6 55.0 38 68 A S E +A 2 0A 60 -36,-2.3 -36,-1.8 -2,-0.7 2,-0.3 -0.659 25.2 121.7 -90.4 139.2 52.4 3.1 54.9 39 69 A G - 0 0 49 -2,-0.3 4,-0.1 -38,-0.2 -2,-0.0 -0.951 65.6-113.3 177.6 161.0 54.3 1.3 57.6 40 70 A S S S+ 0 0 116 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 0.841 102.4 57.9 -70.9 -35.3 56.6 -1.5 58.7 41 71 A T S S- 0 0 106 -3,-0.1 2,-0.4 1,-0.1 3,-0.0 -0.437 98.8 -94.6 -91.9 165.5 53.7 -3.0 60.6 42 72 A V - 0 0 104 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.652 49.4-101.9 -75.3 131.2 50.3 -4.2 59.6 43 73 A N + 0 0 5 -2,-0.4 51,-3.0 -6,-0.2 52,-0.1 -0.420 43.4 178.4 -54.8 114.7 47.6 -1.5 60.1 44 74 A S + 0 0 97 -2,-0.3 2,-0.4 49,-0.2 49,-0.2 0.275 49.7 83.6-108.0 10.7 45.9 -2.7 63.2 45 75 A Q S S- 0 0 73 47,-0.2 2,-0.4 46,-0.0 49,-0.1 -0.931 74.8-128.6-118.2 134.8 43.4 0.2 63.6 46 76 A D - 0 0 104 -2,-0.4 2,-0.5 46,-0.2 -2,-0.1 -0.700 41.2-159.4 -68.3 127.2 40.0 0.8 62.0 47 77 A R E -E 91 0B 4 44,-2.3 44,-2.7 -2,-0.4 2,-0.8 -0.980 24.8-163.7-125.0 123.1 40.6 4.3 60.6 48 78 A D E -E 90 0B 80 -2,-0.5 2,-0.4 77,-0.3 77,-0.3 -0.940 24.4-159.6 -98.3 105.8 38.0 6.8 59.7 49 79 A I E -E 89 0B 0 40,-3.0 40,-2.2 -2,-0.8 2,-0.5 -0.743 2.9-149.3 -93.8 135.3 40.1 9.3 57.6 50 80 A H E -EF 88 123B 52 73,-2.1 73,-1.1 -2,-0.4 72,-1.1 -0.904 10.5-168.2-109.5 131.0 38.8 12.8 57.1 51 81 A I E + F 0 121B 1 36,-2.8 2,-0.3 -2,-0.5 70,-0.2 -0.932 8.0 177.5-116.6 140.7 39.6 14.8 53.9 52 82 A A E - F 0 120B 33 68,-2.4 68,-2.2 -2,-0.4 2,-0.2 -0.987 36.0-105.6-142.6 148.1 39.1 18.5 53.4 53 83 A V E - F 0 119B 47 -2,-0.3 2,-0.6 66,-0.2 66,-0.2 -0.510 34.5-146.3 -67.3 137.8 39.7 21.1 50.7 54 84 A D > + 0 0 26 64,-2.3 4,-1.0 1,-0.2 3,-0.3 -0.763 22.5 175.8-118.1 88.5 42.6 23.2 51.7 55 85 A K H > S+ 0 0 96 -2,-0.6 4,-1.5 1,-0.2 3,-0.4 0.919 77.4 54.6 -52.2 -47.6 42.3 26.8 50.6 56 86 A D H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.813 98.3 56.9 -65.4 -42.9 45.5 28.0 52.3 57 87 A T H > S+ 0 0 32 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.908 107.5 51.0 -57.9 -39.7 48.1 25.6 51.0 58 88 A L H X S+ 0 0 6 -4,-1.0 4,-2.4 -3,-0.4 -1,-0.2 0.931 108.8 48.9 -64.7 -48.7 47.3 26.7 47.4 59 89 A K H X S+ 0 0 130 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.928 111.1 51.9 -56.2 -45.4 47.6 30.4 48.1 60 90 A T H X S+ 0 0 93 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.935 109.0 50.1 -57.0 -48.0 50.9 29.7 49.8 61 91 A L H X S+ 0 0 19 -4,-2.4 4,-3.2 1,-0.2 5,-0.4 0.950 107.3 53.5 -56.3 -53.6 52.2 27.8 46.8 62 92 A N H X>S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 5,-0.8 0.863 112.4 45.0 -49.2 -43.4 51.2 30.5 44.3 63 93 A I H X5S+ 0 0 60 -4,-1.9 4,-0.8 3,-0.2 -1,-0.2 0.886 115.4 46.8 -69.7 -41.3 53.1 33.1 46.3 64 94 A E H <5S+ 0 0 157 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.910 122.6 32.8 -68.6 -41.9 56.1 30.9 46.7 65 95 A R H <5S+ 0 0 84 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.915 137.6 15.5 -86.3 -42.4 56.4 29.8 43.2 66 96 A F H <5S- 0 0 17 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.605 96.7-132.1-110.7 -15.9 55.1 32.9 41.2 67 97 A S ><< - 0 0 40 -4,-0.8 3,-1.2 -5,-0.8 -3,-0.1 0.143 34.3 -78.2 78.1 164.4 55.2 35.8 43.7 68 98 A L T 3 S+ 0 0 104 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.1 0.688 125.4 63.6 -70.0 -16.7 52.5 38.3 44.4 69 99 A Y T 3 S+ 0 0 200 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.293 96.6 54.6 -98.8 13.3 53.4 40.2 41.3 70 100 A R X + 0 0 115 -3,-1.2 3,-2.9 1,-0.1 4,-0.3 -0.172 54.8 151.0-137.1 49.1 52.5 37.5 38.7 71 101 A P G > + 0 0 68 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.695 66.2 74.1 -57.5 -21.4 48.9 36.5 39.4 72 102 A E G 3 S+ 0 0 59 1,-0.3 -2,-0.0 -3,-0.1 125,-0.0 0.787 98.2 47.0 -62.3 -24.8 48.5 35.6 35.8 73 103 A L G < S+ 0 0 26 -3,-2.9 -1,-0.3 -7,-0.1 124,-0.0 0.432 91.2 119.3 -93.9 -1.1 50.6 32.5 36.5 74 104 A W < - 0 0 55 -3,-1.4 40,-0.5 -4,-0.3 2,-0.2 -0.279 65.6-118.7 -69.6 151.1 48.7 31.5 39.7 75 105 A Y - 0 0 22 -17,-0.2 2,-0.5 38,-0.1 40,-0.2 -0.544 27.6-139.7 -79.0 151.8 46.8 28.3 40.2 76 106 A T E -g 115 0B 39 38,-2.4 40,-2.1 -2,-0.2 3,-0.1 -0.967 17.3-113.3-122.0 130.5 43.1 28.7 40.8 77 107 A E E -g 116 0B 58 -2,-0.5 40,-0.2 38,-0.2 3,-0.1 -0.371 42.0-106.5 -61.0 130.0 41.1 26.7 43.4 78 108 A X - 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