==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 11-JAN-03 1J2V . COMPND 2 MOLECULE: 102AA LONG HYPOTHETICAL PERIPLASMIC DIVALENT CATI . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR Y.TANAKA,N.SAKAI,Y.YASUTAKE,M.YAO,K.TSUMOTO,I.KUMAGAI,I.TANA . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 26.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 12 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 1 0 0 1 0 1 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 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 . 0 0 0 1 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A X 0 0 18 0, 0.0 84,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.2 11.0 27.7 -3.3 2 2 A I E -AB 57 84A 0 55,-2.4 55,-1.5 82,-0.2 2,-0.4 -0.918 360.0-128.0-139.0 165.0 7.9 26.2 -1.8 3 3 A I E -AB 56 83A 37 80,-3.0 80,-3.5 -2,-0.3 2,-0.5 -0.931 16.5-164.4-114.7 136.1 6.0 25.9 1.5 4 4 A V E -AB 55 82A 0 51,-2.6 51,-3.1 -2,-0.4 2,-0.5 -0.983 6.1-164.4-124.3 117.4 4.8 22.5 2.7 5 5 A Y E +AB 54 81A 64 76,-2.8 76,-2.5 -2,-0.5 2,-0.3 -0.907 17.5 158.6-107.8 127.1 2.2 22.6 5.5 6 6 A T E -A 53 0A 0 47,-1.6 47,-3.1 -2,-0.5 2,-0.3 -0.973 27.2-135.0-141.7 155.1 1.5 19.4 7.6 7 7 A T E -A 52 0A 15 72,-0.4 72,-0.3 -2,-0.3 45,-0.3 -0.839 14.1-152.6-116.3 150.3 -0.1 18.9 11.0 8 8 A F E -A 51 0A 1 43,-2.1 43,-2.1 -2,-0.3 3,-0.1 -0.873 23.0-127.9-123.7 157.8 0.9 16.7 13.9 9 9 A P S S- 0 0 43 0, 0.0 2,-0.3 0, 0.0 40,-0.1 0.911 90.0 -14.5 -62.6 -46.8 -0.7 14.9 16.9 10 10 A D S > S- 0 0 74 41,-0.1 4,-1.4 40,-0.1 41,-0.1 -0.911 74.7 -92.5-150.7 172.8 1.6 16.4 19.4 11 11 A W H > S+ 0 0 92 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.842 112.7 70.2 -61.2 -35.9 4.9 18.3 19.8 12 12 A E H > S+ 0 0 158 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.945 107.0 32.4 -45.4 -69.1 6.8 15.0 20.2 13 13 A S H > S+ 0 0 15 1,-0.2 4,-4.1 2,-0.2 5,-0.4 0.796 113.7 61.2 -60.7 -36.0 6.4 13.7 16.7 14 14 A A H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -1,-0.2 0.960 111.8 38.7 -57.3 -51.5 6.4 17.2 15.1 15 15 A E H X S+ 0 0 86 -4,-2.5 4,-3.0 -3,-0.2 5,-0.4 0.900 117.9 51.2 -66.3 -41.7 9.9 17.8 16.4 16 16 A K H X S+ 0 0 122 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.971 116.2 39.2 -60.1 -54.8 10.9 14.2 15.7 17 17 A V H X S+ 0 0 5 -4,-4.1 4,-2.3 1,-0.2 -2,-0.2 0.922 118.8 48.9 -61.6 -45.5 9.7 14.3 12.1 18 18 A V H X S+ 0 0 11 -4,-3.1 4,-2.0 -5,-0.4 -1,-0.2 0.880 112.9 44.1 -64.0 -43.4 11.0 17.9 11.5 19 19 A K H X S+ 0 0 115 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.879 112.2 53.9 -71.6 -34.5 14.5 17.3 12.9 20 20 A T H X S+ 0 0 28 -4,-2.1 4,-2.8 -5,-0.4 5,-0.2 0.958 109.7 49.0 -60.4 -47.5 14.7 14.1 11.0 21 21 A L H <>S+ 0 0 1 -4,-2.3 5,-2.7 1,-0.2 6,-0.7 0.879 112.4 46.2 -59.8 -42.8 13.8 16.0 7.9 22 22 A L H ><5S+ 0 0 65 -4,-2.0 3,-1.2 3,-0.2 -1,-0.2 0.937 112.0 51.6 -65.6 -47.4 16.4 18.8 8.5 23 23 A K H 3<5S+ 0 0 135 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.975 111.7 45.2 -50.9 -61.2 19.1 16.2 9.3 24 24 A E T 3<5S- 0 0 72 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.599 115.4-128.2 -57.7 -10.5 18.3 14.3 6.1 25 25 A R T < 5 + 0 0 109 -3,-1.2 76,-1.7 -5,-0.2 -3,-0.2 0.729 66.6 137.2 64.6 28.8 18.4 17.9 4.6 26 26 A X S -C 44 0A 137 3,-2.2 3,-3.7 -2,-0.5 -2,-0.0 -0.995 50.7 -70.9-135.0 127.4 -13.7 12.5 11.3 42 42 A E T 3 S+ 0 0 170 -2,-0.4 -1,-0.0 1,-0.3 -2,-0.0 0.117 122.1 3.6 25.8 -95.1 -15.5 9.2 10.8 43 43 A G T 3 S+ 0 0 75 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.300 127.6 21.6 -99.0 17.7 -18.6 9.6 13.0 44 44 A K E < S- C 0 41A 124 -3,-3.7 -3,-2.2 -5,-0.1 2,-1.0 -0.997 79.1 -92.5-169.1 162.9 -18.4 13.2 14.3 45 45 A I E - C 0 40A 105 -2,-0.3 -5,-0.2 -5,-0.2 2,-0.2 -0.794 54.9-158.3 -84.1 108.0 -17.0 16.7 14.0 46 46 A E E - C 0 39A 62 -7,-2.5 -7,-1.9 -2,-1.0 2,-0.4 -0.525 15.9-163.5 -88.2 160.6 -13.9 16.4 16.2 47 47 A E E + C 0 38A 125 -9,-0.2 2,-0.3 -2,-0.2 -9,-0.2 -0.966 25.2 143.9-141.4 119.2 -12.0 19.1 18.0 48 48 A D E - C 0 37A 49 -11,-1.6 -11,-1.7 -2,-0.4 2,-0.4 -0.832 48.9 -92.3-144.0-178.2 -8.5 18.5 19.3 49 49 A K E + C 0 36A 65 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.872 44.9 179.7-103.4 135.7 -5.2 20.3 19.7 50 50 A E E - C 0 35A 18 -15,-3.0 -15,-2.0 -2,-0.4 2,-0.6 -0.838 30.3-130.3-130.9 170.2 -2.6 20.0 17.0 51 51 A V E -AC 8 34A 3 -43,-2.1 -43,-2.1 -2,-0.3 -17,-0.3 -0.925 27.6-159.3-123.5 102.2 0.9 21.1 16.1 52 52 A G E -AC 7 33A 0 -19,-1.9 -19,-2.0 -2,-0.6 2,-0.4 -0.551 6.0-153.1 -81.1 147.8 1.0 22.6 12.6 53 53 A A E -AC 6 32A 0 -47,-3.1 -47,-1.6 -21,-0.2 2,-0.6 -0.975 12.8-157.8-128.8 137.9 4.2 22.8 10.8 54 54 A I E -AC 5 31A 51 -23,-2.0 -23,-1.8 -2,-0.4 2,-0.4 -0.943 19.3-170.8-112.2 106.1 5.5 25.1 8.0 55 55 A L E -AC 4 30A 0 -51,-3.1 -51,-2.6 -2,-0.6 2,-0.5 -0.780 4.5-159.9 -97.4 142.2 8.3 23.4 6.1 56 56 A K E +AC 3 29A 35 -27,-2.3 -28,-2.2 -2,-0.4 -27,-1.2 -0.971 30.0 122.8-128.6 119.6 10.4 25.4 3.6 57 57 A T E -A 2 0A 0 -55,-1.5 -55,-2.4 -2,-0.5 2,-0.2 -0.773 57.0 -49.6-150.3-162.6 12.4 23.8 0.9 58 58 A R >> - 0 0 33 -32,-0.3 3,-1.2 -2,-0.2 4,-0.7 -0.553 39.3-130.2 -82.0 145.8 13.2 23.5 -2.9 59 59 A E G >4 S+ 0 0 89 1,-0.3 3,-1.6 -2,-0.2 4,-0.3 0.922 108.7 60.0 -62.1 -39.7 10.4 22.9 -5.4 60 60 A D G 34 S+ 0 0 100 1,-0.3 4,-0.4 2,-0.1 3,-0.3 0.745 101.1 56.8 -59.7 -20.1 12.4 20.0 -6.9 61 61 A L G <> S+ 0 0 2 -3,-1.2 4,-2.6 1,-0.2 5,-0.3 0.698 77.5 95.7 -84.4 -18.3 12.3 18.3 -3.5 62 62 A W H S+ 0 0 92 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.978 115.9 38.3 -56.8 -64.2 8.1 14.8 -4.6 64 64 A E H > S+ 0 0 52 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.777 115.9 54.5 -60.7 -30.8 10.7 13.0 -2.3 65 65 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.920 106.6 49.9 -69.6 -45.2 9.7 15.1 0.7 66 66 A K H X S+ 0 0 63 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.916 113.1 48.8 -58.4 -42.8 6.0 14.1 0.3 67 67 A E H X S+ 0 0 91 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.971 109.8 51.4 -60.6 -54.4 7.2 10.5 0.2 68 68 A R H X S+ 0 0 67 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.823 109.2 49.0 -53.6 -35.5 9.4 11.0 3.2 69 69 A I H X S+ 0 0 0 -4,-2.2 4,-3.6 2,-0.2 3,-0.3 0.877 104.8 57.8 -74.1 -39.5 6.6 12.4 5.4 70 70 A K H < S+ 0 0 133 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.962 110.8 45.6 -54.3 -45.8 4.3 9.7 4.5 71 71 A E H < S+ 0 0 129 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.726 122.3 35.5 -69.2 -24.0 7.0 7.3 5.9 72 72 A L H < S+ 0 0 43 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.670 88.2 107.7-103.6 -23.5 7.5 9.4 9.0 73 73 A H < - 0 0 16 -4,-3.6 -65,-0.1 1,-0.1 -59,-0.0 -0.310 61.4-142.9 -66.8 135.5 4.1 10.8 10.0 74 74 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.829 84.2 85.4 -60.9 -33.7 2.3 9.4 13.1 75 75 A Y S S- 0 0 64 1,-0.2 -2,-0.1 4,-0.1 -3,-0.0 -0.520 81.3-137.5 -76.3 133.9 -0.9 9.9 11.0 76 76 A D S S+ 0 0 157 1,-0.3 -1,-0.2 -2,-0.3 -3,-0.1 0.803 103.3 23.4 -61.7 -26.3 -1.9 7.1 8.7 77 77 A V S S- 0 0 126 2,-0.0 -1,-0.3 -3,-0.0 -7,-0.1 -0.756 83.5-163.1-142.9 91.6 -2.7 9.9 6.3 78 78 A P - 0 0 17 0, 0.0 2,-0.7 0, 0.0 -70,-0.1 -0.230 25.7-116.9 -63.4 159.6 -0.9 13.2 6.8 79 79 A A + 0 0 44 -72,-0.3 2,-0.5 2,-0.1 -72,-0.4 -0.943 36.2 179.9 -99.7 122.3 -2.0 16.5 5.3 80 80 A I + 0 0 31 -2,-0.7 2,-0.5 -74,-0.1 -74,-0.2 -0.912 6.4 179.1-129.1 97.6 1.0 17.4 3.0 81 81 A I E -B 5 0A 83 -76,-2.5 -76,-2.8 -2,-0.5 2,-0.5 -0.913 14.3-155.7-110.5 123.4 0.1 20.7 1.3 82 82 A R E -B 4 0A 84 -2,-0.5 2,-0.5 -78,-0.2 -78,-0.2 -0.869 11.2-179.4-102.1 125.0 2.4 22.4 -1.1 83 83 A I E -B 3 0A 100 -80,-3.5 -80,-3.0 -2,-0.5 2,-0.1 -0.967 23.3-137.0-123.8 112.0 2.1 26.1 -1.6 84 84 A D E -B 2 0A 79 -2,-0.5 2,-0.6 -82,-0.2 -82,-0.2 -0.361 14.8-126.2 -68.5 145.5 4.6 27.6 -4.1 85 85 A V - 0 0 43 -84,-2.6 3,-0.1 1,-0.1 -1,-0.1 -0.851 11.3-156.5 -96.5 122.3 6.4 30.8 -3.2 86 86 A D S S- 0 0 152 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.547 73.8 -7.5 -74.2 -8.6 5.9 33.4 -6.0 87 87 A D - 0 0 144 -86,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.857 59.7-171.5 177.6 149.4 9.0 35.3 -4.9 88 88 A V - 0 0 39 -2,-0.3 2,-0.0 -3,-0.1 -3,-0.0 -0.995 32.0 -88.4-154.1 149.3 11.6 35.5 -2.2 89 89 A N > - 0 0 102 -2,-0.3 2,-1.7 1,-0.1 4,-1.3 -0.241 41.3-100.5 -66.4 148.6 14.5 37.7 -1.2 90 90 A E T 4 S+ 0 0 124 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 -0.488 107.7 26.9 -80.3 79.2 18.0 37.7 -2.2 91 91 A D T >> S+ 0 0 81 -2,-1.7 3,-1.9 0, 0.0 4,-1.8 -0.318 110.4 67.1-174.5 -63.4 20.2 36.0 0.3 92 92 A Y H 3> S+ 0 0 56 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.807 99.0 48.9 -37.8 -51.9 17.6 33.7 1.9 93 93 A L H 3X S+ 0 0 56 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.729 110.3 52.6 -66.9 -22.6 17.0 31.4 -1.0 94 94 A K H <> S+ 0 0 126 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.865 109.0 50.4 -79.0 -35.6 20.7 31.0 -1.4 95 95 A W H X S+ 0 0 83 -4,-1.8 4,-1.3 1,-0.2 -2,-0.2 0.806 112.7 47.5 -67.9 -30.2 20.9 30.1 2.2 96 96 A L H X S+ 0 0 0 -4,-1.7 4,-0.7 -5,-0.2 -2,-0.2 0.833 107.8 53.4 -79.8 -36.3 18.1 27.6 1.6 97 97 A I H >< S+ 0 0 89 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.915 111.5 47.1 -65.0 -41.2 19.7 26.1 -1.5 98 98 A E H 3< S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.0 54.8 -65.5 -40.3 22.8 25.4 0.5 99 99 A E H 3< S+ 0 0 57 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.562 95.4 79.2 -73.9 -8.9 20.9 23.9 3.4 100 100 A T S << S- 0 0 0 -4,-0.7 -74,-0.2 -3,-0.7 -75,-0.1 -0.878 90.4 -99.1-111.1 134.4 19.1 21.3 1.4 101 101 A K 0 0 85 -76,-1.7 -1,-0.1 -2,-0.4 -2,-0.1 0.063 360.0 360.0 -38.9 148.5 20.6 18.0 0.2 102 102 A K 0 0 211 -4,-0.1 -1,-0.1 0, 0.0 -4,-0.0 -0.613 360.0 360.0-100.7 360.0 21.7 17.9 -3.4