==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-AUG-13 4M8R . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES CACCAE; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 812 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 307 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 88 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 4 4 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 . 5 5 10 10 10 4 4 4 2 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 8 4 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 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 K 0 0 223 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.2 17.6 91.9 10.1 2 32 A I - 0 0 136 1,-0.2 3,-0.1 90,-0.0 90,-0.1 -0.824 360.0-153.9 -83.0 123.7 18.9 88.9 8.1 3 33 A L + 0 0 16 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.922 68.6 5.4 -71.1 -46.6 20.1 86.5 10.8 4 34 A V - 0 0 2 81,-0.0 3,-0.3 25,-0.0 2,-0.2 -0.991 66.8-140.9-143.0 147.4 22.7 84.5 8.7 5 35 A T E S+A 27 0A 74 22,-2.0 22,-2.6 -2,-0.3 3,-0.1 -0.699 80.3 16.5-109.3 158.7 24.1 84.7 5.2 6 36 A N E S+ 0 0 127 -2,-0.2 -1,-0.2 20,-0.2 2,-0.2 0.856 95.7 154.6 49.3 41.3 25.0 82.0 2.7 7 37 A A E + 0 0 31 -3,-0.3 2,-0.3 19,-0.1 19,-0.3 -0.522 9.5 122.1-103.0 164.3 22.9 79.7 4.8 8 38 A G E -A 25 0A 4 17,-1.8 17,-2.1 -2,-0.2 2,-0.5 -0.981 55.8 -77.3 173.7-170.7 21.0 76.5 4.2 9 39 A V E > -A 24 0A 3 85,-0.4 3,-1.9 -2,-0.3 15,-0.2 -0.980 27.0-144.4-117.8 127.1 20.4 72.9 5.1 10 40 A T T 3 S+ 0 0 81 13,-2.6 -1,-0.1 -2,-0.5 14,-0.1 0.914 104.4 43.7 -55.6 -44.5 22.9 70.3 3.7 11 41 A E T > S+ 0 0 27 12,-0.4 3,-1.9 -3,-0.1 -1,-0.3 0.055 85.9 160.8 -90.7 26.3 20.2 67.7 3.3 12 42 A A T < + 0 0 35 -3,-1.9 85,-0.2 1,-0.3 3,-0.1 -0.180 67.8 1.9 -55.2 134.4 17.7 70.3 1.8 13 43 A N T 3 S+ 0 0 129 83,-3.5 -1,-0.3 1,-0.2 2,-0.2 0.612 107.4 115.9 63.6 17.5 14.8 68.7 -0.1 14 44 A Q S < S- 0 0 109 -3,-1.9 84,-2.6 82,-0.3 2,-0.5 -0.627 72.9-102.2-107.3 168.4 16.0 65.2 0.6 15 45 A T E -d 98 0B 98 -2,-0.2 2,-0.3 82,-0.2 84,-0.2 -0.809 42.8-179.0 -90.3 129.4 14.4 62.4 2.6 16 46 A V E -d 99 0B 7 82,-2.9 84,-2.6 -2,-0.5 6,-0.0 -0.863 19.2-124.3-126.3 161.0 15.8 61.9 6.1 17 47 A K > - 0 0 133 -2,-0.3 3,-2.3 82,-0.2 55,-0.3 -0.788 32.2 -94.6-107.5 147.8 15.1 59.5 8.9 18 48 A P T 3 S+ 0 0 15 0, 0.0 56,-0.1 0, 0.0 3,-0.1 -0.386 116.2 29.4 -51.6 132.4 14.1 60.0 12.5 19 49 A G T 3 S+ 0 0 16 53,-2.7 55,-0.1 1,-0.4 2,-0.0 0.142 94.0 125.3 96.6 -19.2 17.3 59.8 14.5 20 50 A D < - 0 0 61 -3,-2.3 52,-2.5 53,-0.1 2,-0.5 -0.307 63.4-117.4 -68.2 156.4 19.5 61.2 11.7 21 51 A I E - B 0 71A 53 50,-0.2 2,-0.4 -3,-0.1 50,-0.2 -0.866 26.4-162.6 -94.0 126.1 21.8 64.2 12.0 22 52 A V E - B 0 70A 0 48,-2.9 48,-2.9 -2,-0.5 2,-0.4 -0.905 11.9-138.6-108.0 140.9 20.9 67.1 9.7 23 53 A H E - B 0 69A 76 -2,-0.4 -13,-2.6 46,-0.2 -12,-0.4 -0.834 12.4-164.9-108.7 136.0 23.5 69.8 9.1 24 54 A I E -AB 9 68A 6 44,-3.0 44,-2.0 -2,-0.4 2,-0.3 -0.939 11.3-173.9-116.6 138.4 22.9 73.5 8.9 25 55 A Y E +AB 8 67A 112 -17,-2.1 -17,-1.8 -2,-0.4 42,-0.2 -0.853 21.3 106.3-129.8 164.6 25.4 76.0 7.5 26 56 A G E - 0 0 5 40,-1.8 2,-0.4 -2,-0.3 3,-0.3 -0.829 57.4 -84.1 150.7 172.9 25.9 79.7 7.1 27 57 A D E S+A 5 0A 86 -22,-2.6 -22,-2.0 -2,-0.2 39,-0.1 -0.934 96.3 35.9-111.2 132.1 27.8 82.8 8.4 28 58 A G + 0 0 40 37,-0.8 -1,-0.2 -2,-0.4 38,-0.1 0.594 65.2 158.8 107.8 16.2 26.8 84.7 11.5 29 59 A F - 0 0 18 36,-1.3 2,-0.3 -3,-0.3 -1,-0.2 -0.325 23.5-155.4 -64.7 154.8 25.5 82.1 14.0 30 60 A Q > - 0 0 112 34,-0.0 3,-2.1 -2,-0.0 2,-0.1 -0.928 26.0 -87.4-135.5 154.2 25.5 83.2 17.6 31 61 A E T 3 S+ 0 0 192 -2,-0.3 3,-0.1 1,-0.3 34,-0.0 -0.422 116.2 26.1 -58.1 128.2 25.6 81.6 21.1 32 62 A G T 3 S+ 0 0 53 1,-0.4 56,-0.3 -2,-0.1 -1,-0.3 0.279 81.9 144.3 97.7 -11.0 22.0 80.8 22.1 33 63 A D < - 0 0 3 -3,-2.1 -1,-0.4 54,-0.1 2,-0.2 -0.385 32.7-161.4 -55.5 135.4 20.6 80.5 18.6 34 64 A Q E -E 86 0B 114 52,-2.9 52,-3.4 -3,-0.1 2,-0.4 -0.716 10.6-132.6-116.7 170.2 18.0 77.8 18.6 35 65 A V E -E 85 0B 2 23,-0.4 23,-3.2 -2,-0.2 2,-0.3 -0.996 17.9-164.1-129.8 131.9 16.4 75.8 15.8 36 66 A D E -EF 84 57B 8 48,-2.4 48,-2.9 -2,-0.4 2,-0.4 -0.872 5.8-149.2-115.8 147.5 12.6 75.2 15.3 37 67 A F E -EF 83 56B 2 19,-2.5 19,-2.0 -2,-0.3 2,-0.4 -0.897 3.7-164.4-109.9 143.2 10.7 72.7 13.2 38 68 A D E -E 82 0B 61 44,-1.9 44,-2.4 -2,-0.4 2,-0.4 -1.000 16.7-156.3-120.1 130.3 7.3 73.1 11.6 39 69 A F E -EF 81 53B 6 14,-3.6 14,-1.8 -2,-0.4 2,-0.4 -0.846 14.1-177.6-109.1 140.7 5.7 69.8 10.5 40 70 A R E +EF 80 52B 92 40,-1.7 40,-2.7 -2,-0.4 2,-0.3 -0.990 16.2 168.4-134.0 126.7 3.0 69.2 7.8 41 71 A W E - F 0 51B 48 10,-2.4 10,-2.7 -2,-0.4 2,-0.4 -0.966 30.4-154.5-140.8 156.1 1.6 65.8 7.1 42 72 A D - 0 0 48 36,-0.4 36,-0.1 -2,-0.3 8,-0.1 -0.965 8.9-167.2-126.4 110.9 -1.2 63.9 5.3 43 73 A L S S- 0 0 36 -2,-0.4 -1,-0.1 2,-0.1 35,-0.1 0.929 79.3 -3.2 -66.4 -46.7 -2.1 60.5 6.9 44 74 A G S S- 0 0 2 1,-0.5 679,-0.1 678,-0.1 -2,-0.1 0.341 128.0 -17.1-108.5-119.6 -4.2 59.2 4.0 45 75 A E S S- 0 0 35 677,-0.5 -1,-0.5 1,-0.1 2,-0.2 -0.613 87.3 -88.5 -83.3 152.9 -4.9 61.2 0.9 46 76 A P + 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.444 57.8 157.7 -65.7 132.3 -4.4 65.0 1.1 47 77 A L - 0 0 54 -2,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.968 43.5 -76.3-144.1 155.4 -7.4 67.0 2.4 48 78 A F S S+ 0 0 181 -2,-0.3 2,-0.1 1,-0.1 3,-0.0 -0.876 113.4 42.4 -93.3 130.5 -7.8 70.4 4.0 49 79 A P S S- 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.515 82.6-172.6 -79.6 150.2 -7.1 70.7 6.9 50 80 A E - 0 0 52 -2,-0.1 2,-0.4 1,-0.1 -8,-0.2 -0.067 38.4 -79.0 -82.2-168.9 -3.9 68.6 6.9 51 81 A G E -F 41 0B 17 -10,-2.7 -10,-2.4 -2,-0.0 2,-0.3 -0.872 53.9-174.8 -96.2 135.7 -2.0 67.7 10.1 52 82 A Y E +F 40 0B 115 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.952 15.2 171.0-133.7 148.4 0.2 70.5 11.5 53 83 A L E -F 39 0B 51 -14,-1.8 -14,-3.6 -2,-0.3 3,-0.2 -0.954 18.6-173.5-155.4 139.3 2.7 70.9 14.3 54 84 A G E + 0 0 40 1,-0.3 -16,-0.2 -2,-0.3 2,-0.1 -0.652 46.7 20.6 155.3 147.8 5.1 73.8 15.2 55 85 A P E + 0 0 60 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.476 63.3 165.1 -84.0 139.8 7.2 75.3 16.6 56 86 A V E -F 37 0B 3 -19,-2.0 -19,-2.5 -3,-0.2 165,-0.1 -0.988 37.9-121.6-120.7 119.3 9.0 72.2 17.9 57 87 A G E -F 36 0B 7 -2,-0.5 2,-0.3 -21,-0.2 -21,-0.2 -0.347 23.6-134.1 -62.1 137.3 12.5 72.9 19.2 58 88 A A - 0 0 8 -23,-3.2 2,-0.5 165,-0.1 -23,-0.4 -0.745 18.4-115.4 -91.1 140.8 15.2 70.8 17.6 59 89 A E E -C 71 0A 63 12,-0.6 12,-2.2 -2,-0.3 2,-0.6 -0.656 28.8-144.5 -72.3 124.9 17.8 69.1 19.6 60 90 A I E +C 70 0A 40 -2,-0.5 10,-0.3 10,-0.2 3,-0.1 -0.856 23.1 175.2 -96.4 120.1 21.2 70.7 18.7 61 91 A V E + 0 0 50 8,-2.7 2,-0.3 -2,-0.6 9,-0.2 0.878 67.2 18.2 -92.6 -46.3 24.0 68.2 18.7 62 92 A E E -C 69 0A 108 7,-1.2 7,-2.0 2,-0.0 2,-0.4 -0.939 66.7-166.9-128.2 153.0 27.0 70.2 17.5 63 93 A R E +C 68 0A 116 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.981 16.5 148.8-147.9 125.1 27.4 74.0 17.4 64 94 A H - 0 0 95 3,-2.5 3,-0.3 -2,-0.4 -2,-0.0 -0.844 55.9-101.8-138.4-179.1 29.9 76.3 15.7 65 95 A S S S+ 0 0 88 -2,-0.3 -36,-1.3 1,-0.2 -37,-0.8 0.692 121.6 47.7 -78.3 -20.3 29.9 79.9 14.2 66 96 A N S S- 0 0 93 1,-0.2 -40,-1.8 -39,-0.1 2,-0.3 0.446 127.3 -41.8 -99.6 -3.7 29.7 78.4 10.6 67 97 A G E -B 25 0A 3 -3,-0.3 -3,-2.5 -42,-0.2 2,-0.3 -0.980 51.0-118.4 164.8-174.6 26.9 76.0 11.3 68 98 A X E -BC 24 63A 3 -44,-2.0 -44,-3.0 -2,-0.3 2,-0.4 -0.989 13.7-128.9-153.6 154.4 25.2 73.4 13.5 69 99 A S E -BC 23 62A 12 -7,-2.0 -8,-2.7 -2,-0.3 -7,-1.2 -0.930 27.1-173.8-107.2 132.6 24.1 69.8 13.7 70 100 A I E -BC 22 60A 0 -48,-2.9 -48,-2.9 -2,-0.4 2,-0.4 -0.897 20.5-126.0-124.4 154.9 20.6 68.9 14.7 71 101 A R E -BC 21 59A 71 -12,-2.2 -12,-0.6 -2,-0.3 -50,-0.2 -0.849 21.0-128.8-101.3 135.2 18.8 65.6 15.4 72 102 A X - 0 0 2 -52,-2.5 -53,-2.7 -2,-0.4 2,-0.1 -0.672 33.5-122.0 -82.0 134.2 15.6 64.7 13.6 73 103 A P - 0 0 19 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.359 12.2-136.5 -81.9 156.1 12.9 63.6 16.0 74 104 A Y S S+ 0 0 75 1,-0.1 29,-0.2 -56,-0.1 28,-0.1 -0.343 75.7 56.6 -86.7 176.7 10.8 60.4 16.3 75 105 A R S S+ 0 0 67 27,-3.0 28,-0.2 1,-0.2 -1,-0.1 0.478 79.9 103.0 77.3 9.2 7.1 60.2 17.0 76 106 A K S S- 0 0 30 -3,-0.3 26,-3.0 24,-0.2 27,-0.3 -0.849 71.6-113.8-109.6 156.2 5.8 62.2 14.1 77 107 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 22,-0.1 -0.246 61.0 -58.9 -70.2 173.2 4.2 60.8 10.9 78 108 A E S S+ 0 0 108 -36,-0.1 -36,-0.4 -35,-0.1 2,-0.3 -0.413 79.8 179.1 -54.9 123.7 5.9 61.2 7.5 79 109 A S E - G 0 99B 2 20,-2.0 20,-3.1 -2,-0.2 2,-0.7 -0.964 45.1-122.8-139.7 145.0 6.2 65.0 7.3 80 110 A R E -EG 40 98B 79 -40,-2.7 -40,-1.7 -2,-0.3 2,-0.5 -0.817 43.2-161.0 -74.1 118.2 7.3 68.0 5.3 81 111 A V E -EG 39 97B 0 16,-3.2 16,-2.5 -2,-0.7 2,-0.5 -0.942 11.5-160.8-113.3 121.3 9.6 69.6 7.9 82 112 A E E -EG 38 96B 41 -44,-2.4 -44,-1.9 -2,-0.5 2,-0.5 -0.884 13.5-146.7-100.0 133.1 10.6 73.3 7.6 83 113 A I E -EG 37 95B 0 12,-3.0 11,-3.1 -2,-0.5 12,-1.2 -0.881 15.8-170.0-108.5 123.3 13.7 74.2 9.6 84 114 A F E -EG 36 93B 28 -48,-2.9 -48,-2.4 -2,-0.5 2,-0.5 -0.915 22.2-134.0-117.3 137.4 14.0 77.6 11.1 85 115 A L E -EG 35 92B 0 7,-3.1 7,-1.8 -2,-0.4 2,-0.6 -0.775 26.0-157.7 -81.4 129.0 16.8 79.5 12.8 86 116 A N E +EG 34 91B 19 -52,-3.4 -52,-2.9 -2,-0.5 2,-0.7 -0.928 17.6 175.8-117.3 107.1 15.4 81.1 16.0 87 117 A R E > - 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