==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 01-JUN-11 3S9J . COMPND 2 MOLECULE: MEMBER OF DUF4221 FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15647.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 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 . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 2 2 6 7 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 4 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 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 29 A K > 0 0 96 0, 0.0 3,-1.0 0, 0.0 310,-0.0 0.000 360.0 360.0 360.0 177.2 20.1 8.3 23.7 2 30 A Q T 3 + 0 0 100 1,-0.2 303,-0.1 2,-0.1 311,-0.1 0.410 360.0 50.1 -82.8 4.4 23.5 9.9 23.7 3 31 A N T 3 S+ 0 0 105 311,-0.2 -1,-0.2 309,-0.1 359,-0.2 0.014 71.4 109.0-130.4 33.4 23.9 9.5 19.9 4 32 A E S < S+ 0 0 113 -3,-1.0 358,-2.9 309,-0.7 2,-0.3 0.908 81.0 30.4 -73.3 -39.9 20.6 10.8 18.4 5 33 A V E -aB 314 361A 12 308,-3.1 310,-0.6 356,-0.3 2,-0.3 -0.741 57.3-170.4-123.0 164.2 22.1 13.9 16.9 6 34 A E E - B 0 360A 81 354,-2.4 354,-3.2 -2,-0.3 2,-0.5 -0.974 28.8-111.2-142.8 161.8 25.2 15.3 15.3 7 35 A L E - B 0 359A 8 -2,-0.3 2,-0.4 352,-0.2 352,-0.2 -0.826 33.6-172.2 -97.9 129.9 26.5 18.7 14.2 8 36 A V E - B 0 358A 52 350,-2.8 350,-2.7 -2,-0.5 2,-0.1 -0.979 26.2-115.3-129.8 129.5 26.9 19.3 10.5 9 37 A A E + B 0 357A 56 -2,-0.4 348,-0.2 348,-0.2 3,-0.1 -0.387 40.5 163.2 -62.8 131.1 28.5 22.2 8.6 10 38 A E E - 0 0 103 346,-3.2 2,-0.3 1,-0.5 -1,-0.1 0.810 52.1 -9.4-116.1 -66.6 26.0 24.2 6.6 11 39 A K E - 0 0 80 345,-0.5 345,-3.0 2,-0.0 -1,-0.5 -0.902 59.6-126.9-127.0 172.9 26.9 27.7 5.4 12 40 A Q E - B 0 355A 97 -2,-0.3 2,-0.4 343,-0.2 343,-0.2 -0.898 6.9-150.5-116.3 149.9 29.8 30.1 6.1 13 41 A L E - B 0 354A 9 341,-2.7 341,-2.7 -2,-0.3 2,-0.4 -0.955 16.9-173.9-111.9 136.8 29.7 33.7 7.2 14 42 A A E - B 0 353A 27 -2,-0.4 339,-0.2 339,-0.2 -2,-0.0 -0.970 9.3-168.4-138.2 122.6 32.6 35.9 6.1 15 43 A F E - B 0 352A 0 337,-3.0 337,-2.7 -2,-0.4 2,-0.2 -0.918 19.1-139.1-110.6 111.3 33.3 39.5 7.1 16 44 A P E - B 0 351A 84 0, 0.0 335,-0.2 0, 0.0 2,-0.2 -0.453 27.8-172.5 -69.6 137.5 35.9 41.4 5.2 17 45 A L - 0 0 21 333,-2.8 2,-0.2 -2,-0.2 333,-0.1 -0.706 14.6-165.2-120.8 170.2 38.1 43.5 7.4 18 46 A D > - 0 0 65 -2,-0.2 3,-1.7 3,-0.1 333,-0.0 -0.710 54.8 -65.0-137.5-162.6 40.9 46.1 7.0 19 47 A E T 3 S+ 0 0 153 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.672 124.9 66.3 -63.8 -18.9 43.4 47.7 9.4 20 48 A Q T 3 S+ 0 0 102 1,-0.2 2,-0.4 28,-0.0 -1,-0.3 0.594 102.6 47.3 -78.1 -12.1 40.6 49.3 11.5 21 49 A T S < S- 0 0 1 -3,-1.7 2,-0.2 27,-0.1 -1,-0.2 -0.961 74.2-148.2-133.4 118.2 39.3 45.9 12.7 22 50 A Y - 0 0 47 -2,-0.4 23,-0.1 2,-0.1 328,-0.1 -0.577 21.0-127.4 -83.2 148.5 41.4 43.1 14.1 23 51 A Y S S+ 0 0 24 326,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.681 87.0 73.3 -73.3 -17.9 40.1 39.6 13.4 24 52 A L + 0 0 19 325,-0.1 2,-0.4 328,-0.0 21,-0.3 -0.868 53.4 172.3-102.0 130.2 40.3 38.5 17.1 25 53 A S - 0 0 1 -2,-0.5 3,-0.2 18,-0.1 18,-0.1 -0.995 22.2-163.3-128.5 140.4 37.9 39.6 19.8 26 54 A K S S+ 0 0 60 -2,-0.4 103,-2.4 1,-0.2 104,-1.4 0.356 90.3 47.4 -96.1 3.1 37.7 38.2 23.3 27 55 A S S S+ 0 0 2 15,-0.4 15,-2.1 101,-0.3 2,-0.4 -0.654 71.5 143.4-146.3 79.3 34.3 39.7 23.9 28 56 A X E +H 41 0B 1 -3,-0.2 2,-0.4 13,-0.2 13,-0.2 -0.987 18.4 173.6-125.9 127.0 32.0 39.0 21.0 29 57 A F E -H 40 0B 21 11,-1.9 11,-3.1 -2,-0.4 2,-0.2 -0.999 28.6-126.2-137.7 138.1 28.3 38.3 21.5 30 58 A Q E +H 39 0B 23 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.567 37.7 166.8 -77.6 144.2 25.3 37.7 19.2 31 59 A F E -H 38 0B 5 7,-2.4 7,-3.1 -2,-0.2 2,-0.4 -0.971 30.8-123.6-152.4 160.6 22.3 39.9 19.8 32 60 A E E +H 37 0B 65 -2,-0.3 2,-0.3 53,-0.3 5,-0.2 -0.902 30.6 164.9-107.3 140.4 19.0 41.0 18.2 33 61 A E E > -H 36 0B 15 3,-2.5 3,-2.0 -2,-0.4 -2,-0.0 -0.957 65.3 -3.8-154.1 135.8 18.0 44.5 17.5 34 62 A N T 3 S- 0 0 140 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.825 129.2 -53.5 53.2 35.4 15.3 46.1 15.4 35 63 A G T 3 S+ 0 0 59 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.514 120.8 92.1 83.4 4.5 14.2 42.7 14.0 36 64 A K E < S-H 33 0B 86 -3,-2.0 -3,-2.5 20,-0.0 2,-0.4 -0.882 71.2-119.3-128.1 158.5 17.7 41.6 12.9 37 65 A E E +H 32 0B 17 -2,-0.3 19,-1.4 -5,-0.2 20,-0.6 -0.830 32.8 175.5-102.0 144.8 20.6 39.7 14.4 38 66 A Y E -HI 31 55B 38 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.5 -0.863 29.3-122.7-135.3 164.1 24.0 41.2 14.8 39 67 A L E -HI 30 54B 0 15,-2.3 15,-2.7 -2,-0.3 2,-0.6 -0.972 17.1-148.3-113.4 119.6 27.4 40.4 16.3 40 68 A H E -HI 29 53B 0 -11,-3.1 -11,-1.9 -2,-0.5 2,-0.5 -0.769 22.6-173.0 -77.5 120.4 28.8 42.7 19.0 41 69 A F E -HI 28 52B 0 11,-2.7 11,-2.8 -2,-0.6 2,-0.4 -0.903 18.1-145.9-129.4 101.7 32.5 42.5 18.5 42 70 A E E - I 0 51B 2 -15,-2.1 2,-0.7 -2,-0.5 -15,-0.4 -0.533 12.6-164.0 -66.8 123.8 34.8 44.3 21.0 43 71 A N E + I 0 50B 0 7,-2.7 7,-1.8 -2,-0.4 -1,-0.1 -0.640 46.4 120.8-115.8 71.4 37.7 45.5 18.9 44 72 A T + 0 0 17 -2,-0.7 -1,-0.2 5,-0.2 2,-0.1 0.247 35.3 120.0-118.7 7.2 40.3 46.3 21.6 45 73 A Q S > S- 0 0 33 -21,-0.3 3,-2.0 -3,-0.2 -23,-0.1 -0.414 79.9 -18.0 -72.1 151.5 43.1 44.0 20.6 46 74 A K T 3 S- 0 0 156 1,-0.3 -3,-0.0 -2,-0.1 0, 0.0 -0.236 132.2 -19.7 55.7-132.3 46.5 45.5 19.8 47 75 A S T 3 S+ 0 0 117 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.476 112.3 104.9 -87.0 -3.1 46.3 49.3 19.0 48 76 A L < + 0 0 31 -3,-2.0 -27,-0.1 1,-0.0 -28,-0.0 -0.466 41.9 177.5 -81.3 151.6 42.6 49.2 18.3 49 77 A Y + 0 0 39 -2,-0.1 18,-0.9 18,-0.0 2,-0.3 -0.444 40.6 75.1-157.9 76.7 40.0 50.5 20.7 50 78 A D E -IJ 43 66B 19 -7,-1.8 -7,-2.7 16,-0.2 2,-0.4 -0.914 69.6-100.7-160.3-177.2 36.4 50.5 19.7 51 79 A I E -IJ 42 65B 0 14,-2.4 14,-3.6 -2,-0.3 2,-0.4 -0.992 27.6-158.9-119.3 132.5 33.4 48.2 19.3 52 80 A V E -IJ 41 64B 0 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.903 4.2-153.1-107.3 137.6 32.3 46.9 15.9 53 81 A I E -IJ 40 63B 3 10,-3.0 9,-3.0 -2,-0.4 10,-1.5 -0.952 12.9-153.5-109.0 121.4 28.9 45.7 15.2 54 82 A F E -IJ 39 61B 0 -15,-2.7 -15,-2.3 -2,-0.5 2,-0.7 -0.829 11.2-135.1 -97.1 138.3 28.6 43.1 12.4 55 83 A D E >> -IJ 38 60B 17 5,-3.1 5,-1.3 -2,-0.4 4,-0.8 -0.795 16.5-166.0 -89.2 108.9 25.4 42.6 10.3 56 84 A I T >45S+ 0 0 4 -19,-1.4 3,-0.7 -2,-0.7 -1,-0.2 0.946 83.7 48.5 -67.1 -48.6 25.0 38.8 10.0 57 85 A E T 345S+ 0 0 116 -20,-0.6 -1,-0.2 1,-0.2 -19,-0.1 0.884 121.7 36.1 -58.0 -42.0 22.4 38.8 7.2 58 86 A N T 345S- 0 0 86 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.445 100.0-133.9 -98.2 3.0 24.4 41.2 5.1 59 87 A Q T <<5 + 0 0 77 -4,-0.8 2,-0.3 -3,-0.7 -3,-0.2 0.900 68.9 95.0 43.4 55.3 27.9 39.9 6.0 60 88 A Q E S- 0 0 56 -2,-0.2 3,-1.9 1,-0.2 -3,-0.0 -0.426 104.8 -37.4 98.4-169.3 37.9 63.1 28.3 72 100 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 37,-0.1 0.768 145.1 39.9 -65.9 -22.6 34.3 63.3 29.6 73 101 A N T 3 S+ 0 0 41 -3,-0.4 -5,-0.6 35,-0.1 2,-0.1 0.039 88.1 153.0-108.9 26.2 33.6 59.9 28.0 74 102 A G B < -k 68 0C 10 -3,-1.9 -5,-0.3 -7,-0.1 -4,-0.2 -0.354 24.8-177.8 -67.0 126.5 36.9 58.4 28.9 75 103 A L > - 0 0 0 -7,-3.1 3,-0.6 -2,-0.1 -5,-0.1 -0.884 5.5-174.4-121.3 93.2 37.1 54.6 29.4 76 104 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 0.721 72.1 18.2 -64.1 -27.3 40.7 54.0 30.5 77 105 A A T 3 + 0 0 19 22,-0.0 19,-0.4 -8,-0.0 18,-0.2 -0.193 69.0 175.9-151.9 49.7 40.7 50.2 30.5 78 106 A V < + 0 0 8 -3,-0.6 16,-0.2 16,-0.2 2,-0.1 -0.364 12.8 152.8 -64.0 126.7 38.0 48.4 28.6 79 107 A F + 0 0 88 14,-2.8 48,-0.4 1,-0.5 16,-0.3 -0.613 62.5 20.8-155.3 91.5 38.3 44.6 28.5 80 108 A G - 0 0 3 46,-0.1 13,-2.6 -2,-0.1 -1,-0.5 0.081 62.0-178.6 117.2 133.2 34.9 43.0 28.1 81 109 A S E -L 92 0D 0 11,-0.2 11,-0.2 -3,-0.1 -39,-0.2 -0.983 3.4-168.2-160.4 146.0 31.7 44.5 26.7 82 110 A R E -L 91 0D 18 9,-2.3 9,-2.1 -2,-0.3 2,-0.2 -0.997 29.6-114.5-146.4 137.7 28.2 43.3 26.2 83 111 A P E -L 90 0D 12 0, 0.0 7,-0.2 0, 0.0 4,-0.2 -0.534 32.1-143.0 -65.8 133.4 24.9 44.3 24.5 84 112 A S S S- 0 0 12 5,-2.1 3,-0.1 2,-1.4 6,-0.0 -0.420 86.6 -44.5-136.0 59.3 22.5 44.9 27.4 85 113 A P S S- 0 0 102 0, 0.0 -53,-0.3 0, 0.0 2,-0.2 -0.991 132.0 -3.2-101.1 -3.2 20.5 43.7 25.6 86 114 A D S > S- 0 0 40 3,-0.3 -2,-1.4 -4,-0.1 3,-0.9 -0.576 86.6 -76.6-133.8-166.0 21.3 45.5 22.4 87 115 A S T 3 S+ 0 0 1 1,-0.2 3,-0.2 -4,-0.2 -54,-0.1 0.556 113.5 74.2 -81.1 -4.6 23.7 48.2 21.1 88 116 A Q T 3 S+ 0 0 91 1,-0.3 17,-0.4 16,-0.1 2,-0.3 0.715 109.4 26.0 -79.7 -19.2 21.7 51.1 22.6 89 117 A Y S < S+ 0 0 61 -3,-0.9 -5,-2.1 15,-0.2 2,-0.4 -0.896 77.5 177.0-149.5 107.9 22.9 50.3 26.1 90 118 A I E -LM 83 103D 0 13,-2.4 13,-2.6 -2,-0.3 2,-0.4 -0.936 18.8-146.8-118.9 136.6 26.2 48.5 26.5 91 119 A L E -LM 82 102D 0 -9,-2.1 -9,-2.3 -2,-0.4 2,-0.4 -0.871 16.9-165.6-103.4 136.2 28.0 47.5 29.7 92 120 A V E -LM 81 101D 0 9,-3.0 9,-2.5 -2,-0.4 2,-0.4 -0.959 12.4-139.3-127.3 141.9 31.8 47.5 29.7 93 121 A A E - 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