==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-FEB-07 2ECE . COMPND 2 MOLECULE: 462AA LONG HYPOTHETICAL SELENIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR M.YAMADA,H.YOSHIDA,S.KURAMITSU,S.KAMITORI . 455 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 32.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 1 0.2 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 . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 1 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 3 2 6 8 0 0 1 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 . 1 0 5 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 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 8 A R 0 0 218 0, 0.0 86,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.8 46.5 81.3 28.4 2 9 A D > - 0 0 19 84,-0.3 3,-1.6 1,-0.2 84,-0.0 -0.438 360.0-142.6 -63.4 125.2 48.7 80.7 31.5 3 10 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.646 97.8 59.9 -66.6 -13.3 47.3 77.7 33.4 4 11 A T T 3 S+ 0 0 30 84,-0.1 2,-0.6 11,-0.1 71,-0.2 0.423 80.4 99.5 -94.9 2.0 48.0 79.4 36.7 5 12 A F < - 0 0 15 -3,-1.6 440,-0.0 69,-0.1 70,-0.0 -0.790 58.2-166.2 -87.4 125.9 45.8 82.4 36.0 6 13 A Y - 0 0 12 -2,-0.6 72,-0.2 1,-0.1 6,-0.1 -0.949 20.3-149.5-116.8 131.7 42.5 81.9 37.7 7 14 A P S S+ 0 0 55 0, 0.0 447,-1.4 0, 0.0 446,-0.7 0.915 80.5 9.1 -62.8 -41.2 39.4 84.0 36.9 8 15 A S S > S- 0 0 6 445,-0.1 4,-2.2 444,-0.1 5,-0.2 -0.856 77.5-102.7-137.9 169.2 38.0 83.7 40.4 9 16 A P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.907 120.0 54.5 -57.5 -45.2 38.8 82.6 44.0 10 17 A K H > S+ 0 0 138 445,-0.3 4,-1.3 1,-0.2 314,-0.1 0.911 110.0 45.9 -56.7 -45.7 36.7 79.5 43.5 11 18 A M H 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.865 110.5 53.6 -67.8 -35.0 38.6 78.5 40.4 12 19 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.899 106.2 53.8 -65.2 -39.3 41.9 79.2 42.1 13 20 A M H 3< S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.833 107.4 50.0 -63.4 -35.6 40.9 76.8 45.0 14 21 A K T 3< S+ 0 0 177 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.463 89.1 104.9 -84.8 -3.3 40.2 73.9 42.6 15 22 A A S < S- 0 0 21 -3,-1.0 369,-0.1 -4,-0.5 -11,-0.1 -0.336 86.7 -73.6 -75.9 162.3 43.5 74.2 40.8 16 23 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 367,-0.1 -0.158 58.0 -99.8 -54.3 146.1 46.4 71.6 41.3 17 24 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 27,-0.0 -0.086 45.7 -86.2 -63.0 166.4 48.3 71.9 44.6 18 25 A E - 0 0 8 1,-0.1 426,-0.1 25,-0.1 3,-0.1 -0.513 29.9-169.5 -77.6 142.0 51.7 73.7 44.8 19 26 A D S S+ 0 0 88 -2,-0.2 24,-2.2 1,-0.2 25,-0.7 0.700 70.9 28.9 -98.9 -28.3 54.9 71.7 44.1 20 27 A L E -A 42 0A 8 22,-0.2 423,-2.4 23,-0.2 2,-0.4 -0.909 58.7-149.5-135.3 162.1 57.4 74.3 45.3 21 28 A A E -AB 41 442A 0 20,-2.3 20,-2.9 -2,-0.3 2,-0.5 -0.987 12.4-153.3-133.3 118.5 57.8 77.1 47.8 22 29 A Y E -AB 40 441A 3 419,-3.1 419,-2.6 -2,-0.4 2,-0.5 -0.808 18.2-164.8 -91.7 131.4 60.1 80.1 47.0 23 30 A V E -AB 39 440A 0 16,-2.7 16,-3.0 -2,-0.5 2,-0.6 -0.969 20.1-133.8-126.9 127.9 61.4 81.7 50.2 24 31 A A E -A 38 0A 0 415,-2.4 414,-2.9 -2,-0.5 2,-0.3 -0.648 35.2-176.1 -75.8 118.1 63.0 85.0 50.6 25 32 A C E -AB 37 437A 0 12,-2.9 12,-2.3 -2,-0.6 2,-0.3 -0.905 5.4-168.5-119.8 149.1 66.1 84.4 52.8 26 33 A L E - B 0 436A 0 410,-2.7 410,-3.0 -2,-0.3 383,-0.2 -0.972 33.3-172.9-141.6 152.4 68.6 86.8 54.3 27 34 A Y >>> + 0 0 14 -2,-0.3 3,-2.3 7,-0.3 5,-0.7 0.366 59.3 121.0-111.9 -7.0 72.0 87.0 56.1 28 35 A T T 345S+ 0 0 3 1,-0.3 -2,-0.1 2,-0.2 408,-0.1 -0.424 81.5 15.9 -61.0 122.8 71.4 90.7 56.6 29 36 A G T 345S+ 0 0 25 -2,-0.2 -1,-0.3 3,-0.1 371,-0.0 0.360 103.6 92.8 94.1 -5.9 71.5 91.4 60.4 30 37 A T T <45S- 0 0 33 -3,-2.3 -2,-0.2 2,-0.2 3,-0.1 0.590 95.3-119.4 -94.4 -13.8 73.1 88.0 61.2 31 38 A G T <5S+ 0 0 81 -4,-0.5 2,-0.6 1,-0.3 -3,-0.1 0.425 74.5 128.0 88.7 -2.0 76.6 89.3 61.1 32 39 A I < - 0 0 42 -5,-0.7 2,-2.0 402,-0.1 -1,-0.3 -0.801 60.7-136.9 -93.7 124.0 77.4 86.9 58.4 33 40 A N + 0 0 131 -2,-0.6 2,-0.3 -3,-0.1 -1,-0.1 -0.474 63.7 111.1 -80.9 70.9 79.0 88.4 55.3 34 41 A R - 0 0 145 -2,-2.0 29,-0.5 -7,-0.0 -7,-0.3 -0.984 69.8 -99.8-141.0 149.8 77.0 86.6 52.6 35 42 A A - 0 0 20 -2,-0.3 27,-0.2 24,-0.2 2,-0.0 -0.242 37.4-110.4 -68.2 154.7 74.4 87.7 50.1 36 43 A D - 0 0 0 25,-0.6 23,-1.9 -10,-0.1 2,-0.3 -0.264 43.6-169.7 -73.6 173.7 70.7 87.2 50.7 37 44 A F E -AC 25 58A 2 -12,-2.3 -12,-2.9 21,-0.2 2,-0.6 -0.991 28.9-111.5-162.6 164.6 69.0 84.6 48.5 38 45 A I E -AC 24 57A 0 19,-1.6 19,-3.2 -2,-0.3 2,-0.4 -0.919 35.0-149.9-103.9 123.3 65.8 83.0 47.3 39 46 A A E -AC 23 56A 0 -16,-3.0 -16,-2.7 -2,-0.6 2,-0.7 -0.779 3.0-145.7 -97.3 140.2 65.5 79.4 48.5 40 47 A V E -AC 22 55A 0 15,-3.0 14,-2.7 -2,-0.4 15,-0.9 -0.921 19.3-167.7-105.8 112.0 63.6 76.8 46.4 41 48 A V E -AC 21 53A 0 -20,-2.9 -20,-2.3 -2,-0.7 2,-0.6 -0.886 20.4-132.2-106.6 127.9 61.8 74.4 48.7 42 49 A D E +A 20 0A 2 10,-2.5 9,-2.7 -2,-0.5 10,-0.5 -0.663 29.5 173.8 -77.0 118.5 60.3 71.1 47.5 43 50 A V + 0 0 3 -24,-2.2 -23,-0.2 -2,-0.6 -1,-0.1 0.261 38.7 108.4-115.0 13.0 56.9 71.1 49.0 44 51 A N > - 0 0 44 -25,-0.7 3,-1.9 1,-0.1 5,-0.1 -0.826 58.2-150.0 -95.3 114.6 55.3 68.0 47.4 45 52 A P T 3 S+ 0 0 83 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.734 96.3 55.8 -54.7 -27.2 54.9 65.0 49.9 46 53 A K T 3 S+ 0 0 187 3,-0.1 2,-0.1 -3,-0.0 -2,-0.0 0.615 87.8 99.5 -83.7 -13.1 55.4 62.5 47.1 47 54 A S S X S- 0 0 34 -3,-1.9 3,-1.2 1,-0.1 -5,-0.0 -0.436 74.9-134.1 -75.6 148.9 58.7 63.9 46.0 48 55 A E T 3 S+ 0 0 192 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.635 109.7 49.5 -76.0 -12.8 62.0 62.3 47.1 49 56 A T T > S+ 0 0 39 -5,-0.1 3,-1.4 3,-0.1 -7,-0.4 -0.060 82.1 154.1-113.4 31.0 63.3 65.8 47.9 50 57 A Y T < + 0 0 50 -3,-1.2 -7,-0.2 1,-0.3 3,-0.1 -0.335 68.2 10.9 -61.6 136.8 60.2 66.7 49.9 51 58 A S T 3 S+ 0 0 20 -9,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.751 105.4 120.0 64.6 27.2 60.9 69.4 52.6 52 59 A K S < S- 0 0 122 -3,-1.4 -10,-2.5 -10,-0.5 2,-0.8 -0.909 71.7-119.0-122.1 149.6 64.3 70.0 51.2 53 60 A I E +C 41 0A 51 -2,-0.3 -12,-0.2 -12,-0.2 3,-0.1 -0.784 33.4 179.6 -83.3 116.1 66.0 73.2 49.8 54 61 A V E + 0 0 44 -14,-2.7 2,-0.3 -2,-0.8 -1,-0.2 0.581 61.7 5.5 -97.4 -9.4 66.7 72.0 46.3 55 62 A H E -C 40 0A 54 -15,-0.9 -15,-3.0 -3,-0.1 2,-0.4 -0.960 56.3-149.0-168.8 151.4 68.3 75.2 45.1 56 63 A K E -C 39 0A 70 -2,-0.3 2,-1.4 -17,-0.2 -17,-0.2 -0.993 11.3-148.9-130.3 122.3 69.4 78.7 46.2 57 64 A V E -C 38 0A 8 -19,-3.2 -19,-1.6 -2,-0.4 2,-0.3 -0.737 26.8-157.3 -90.3 88.1 69.3 81.7 44.0 58 65 A E E -C 37 0A 138 -2,-1.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.525 10.5-128.5 -71.9 129.3 72.3 83.4 45.5 59 66 A L - 0 0 11 -23,-1.9 -24,-0.2 -2,-0.3 -1,-0.1 -0.442 7.6-127.6 -79.8 152.4 72.3 87.2 44.9 60 67 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.558 88.2 50.4 -75.0 -11.1 75.3 89.2 43.6 61 68 A Y S S- 0 0 91 -25,-0.1 -25,-0.6 -27,-0.0 3,-0.3 -0.872 77.3-122.9-127.2 164.2 75.3 91.8 46.4 62 69 A I S S+ 0 0 68 -2,-0.3 -27,-0.2 -27,-0.2 -29,-0.1 -0.694 82.7 21.6-104.9 155.6 75.3 91.7 50.1 63 70 A N + 0 0 88 -29,-0.5 -1,-0.2 -2,-0.3 -28,-0.1 0.785 65.1 139.6 60.9 36.5 72.8 93.4 52.6 64 71 A D - 0 0 0 -3,-0.3 33,-2.7 33,-0.2 34,-1.5 0.872 55.5-140.6 -69.9 -34.9 69.8 93.7 50.2 65 72 A E - 0 0 1 30,-0.2 31,-2.5 31,-0.2 32,-0.3 0.987 14.9-146.1 66.6 76.4 67.6 92.7 53.1 66 73 A L B +D 95 0B 0 -41,-0.2 29,-0.1 29,-0.2 3,-0.1 -0.380 39.9 142.3 -66.3 147.3 65.2 90.4 51.2 67 74 A H + 0 0 3 27,-0.5 372,-1.7 1,-0.5 2,-0.3 0.033 56.3 13.5-146.5 -76.5 61.7 90.6 52.7 68 75 A H + 0 0 3 66,-0.2 -1,-0.5 65,-0.2 2,-0.3 -0.707 62.2 164.9-115.0 150.7 58.6 90.6 50.4 69 76 A F - 0 0 0 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.967 7.9-176.0-156.6 169.1 58.5 89.6 46.7 70 77 A G E -E 92 0C 2 22,-1.9 22,-4.0 -2,-0.3 2,-0.2 -0.915 29.9 -74.2-157.6-176.5 56.0 88.7 44.0 71 78 A W E -E 91 0C 7 -2,-0.3 20,-0.2 20,-0.2 3,-0.1 -0.544 29.3-128.7 -89.7 156.7 55.3 87.6 40.5 72 79 A N S S+ 0 0 4 18,-1.9 2,-0.3 1,-0.2 67,-0.2 0.847 94.6 8.7 -69.3 -34.7 55.5 89.7 37.3 73 80 A A + 0 0 0 17,-0.2 2,-0.2 14,-0.1 -1,-0.2 -0.991 70.0 156.8-147.1 153.0 52.0 88.6 36.4 74 81 A a > - 0 0 1 -2,-0.3 3,-2.6 65,-0.2 4,-0.2 -0.753 61.4 -43.7-153.3-160.6 49.1 86.7 37.9 75 82 A S G > S+ 0 0 1 1,-0.3 3,-2.2 -71,-0.2 378,-0.3 0.738 117.2 76.1 -51.4 -26.4 45.3 86.1 37.9 76 83 A S G > S+ 0 0 0 1,-0.3 3,-1.7 62,-0.3 -1,-0.3 0.698 77.8 76.4 -60.0 -18.0 44.7 89.9 37.5 77 84 A A G < S+ 0 0 4 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.692 83.6 64.1 -66.7 -19.3 45.8 89.5 33.9 78 85 A L G < S+ 0 0 38 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.467 80.7 111.5 -82.7 -2.3 42.4 88.0 33.1 79 86 A b S X S- 0 0 5 -3,-1.7 3,-2.9 -4,-0.1 375,-0.0 -0.327 88.4-104.4 -68.1 154.2 40.8 91.4 34.1 80 87 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.860 125.0 41.2 -47.2 -41.5 39.2 93.4 31.3 81 88 A N T 3 S+ 0 0 101 -5,-0.1 2,-0.1 2,-0.0 -3,-0.1 0.276 86.3 136.0 -92.3 11.0 42.2 95.8 31.2 82 89 A G < - 0 0 21 -3,-2.9 59,-0.2 1,-0.1 -5,-0.1 -0.386 58.0-115.8 -62.8 131.0 44.7 92.9 31.6 83 90 A K > - 0 0 75 57,-2.2 3,-0.5 -2,-0.1 2,-0.2 -0.285 31.4-104.6 -68.5 152.7 47.6 93.3 29.3 84 91 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.452 87.4 10.1 -81.9 149.3 48.4 90.8 26.5 85 92 A N T 3 S+ 0 0 161 1,-0.2 2,-0.4 -2,-0.2 -2,-0.0 0.772 82.9 134.2 58.8 34.9 51.0 88.1 26.4 86 93 A I < - 0 0 20 -3,-0.5 2,-0.3 -9,-0.1 -84,-0.3 -0.882 31.8-171.3-109.7 146.5 52.2 88.2 30.0 87 94 A E - 0 0 76 -2,-0.4 2,-1.7 -86,-0.1 3,-0.5 -0.946 39.0 -98.3-135.2 155.6 52.7 85.0 32.0 88 95 A R S S+ 0 0 9 -2,-0.3 356,-0.1 1,-0.2 -14,-0.1 -0.590 81.6 118.8 -72.8 93.3 53.4 84.1 35.6 89 96 A R + 0 0 72 -2,-1.7 17,-2.3 1,-0.2 2,-0.4 0.681 49.0 59.9-129.4 -38.3 57.1 83.7 34.9 90 97 A F E - F 0 105C 28 -3,-0.5 -18,-1.9 15,-0.2 2,-0.5 -0.826 60.9-140.6-109.7 139.9 59.3 86.0 36.9 91 98 A L E -EF 71 104C 0 13,-3.0 13,-2.9 -2,-0.4 2,-0.8 -0.805 18.2-148.5 -89.5 130.6 59.8 86.6 40.6 92 99 A I E -EF 70 103C 0 -22,-4.0 -22,-1.9 -2,-0.5 11,-0.2 -0.916 21.4-176.2-102.8 106.3 60.2 90.3 41.3 93 100 A V E - F 0 102C 1 9,-2.5 9,-2.7 -2,-0.8 2,-0.2 -0.888 2.3-172.2-114.9 106.1 62.5 90.5 44.3 94 101 A P E - F 0 101C 1 0, 0.0 2,-0.7 0, 0.0 -27,-0.5 -0.545 25.4-120.6 -95.4 159.0 63.3 93.9 45.9 95 102 A G B > -D 66 0B 0 5,-2.3 4,-2.2 -2,-0.2 38,-1.2 -0.868 12.2-157.7 -97.6 119.0 65.8 94.8 48.6 96 103 A L T 4 S+ 0 0 1 -31,-2.5 -31,-0.2 -2,-0.7 -1,-0.1 0.761 98.4 29.4 -66.0 -23.3 64.1 96.4 51.5 97 104 A R T 4 S+ 0 0 63 -33,-2.7 -32,-0.2 -32,-0.3 -1,-0.2 0.825 128.3 38.7 -99.5 -45.7 67.4 98.0 52.4 98 105 A S T 4 S- 0 0 21 -34,-1.5 -2,-0.2 2,-0.1 3,-0.1 0.746 87.0-138.1 -79.5 -28.2 69.1 98.3 49.0 99 106 A S < + 0 0 1 -4,-2.2 2,-0.1 -35,-0.4 25,-0.1 0.556 57.1 140.6 77.0 7.8 66.2 99.4 46.8 100 107 A R - 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