==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-APR-07 2PGE . COMPND 2 MOLECULE: MENC; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOTALEA PSYCHROPHILA LSV54; . AUTHOR R.AGARWAL,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH . 356 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 8.1 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 . 2 0.6 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 0 0 0 0 2 2 0 1 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 1 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 PARALLEL BRIDGES PER LADDER . 2 3 0 0 0 1 0 1 0 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 3 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 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 3 A S 0 0 126 0, 0.0 66,-0.1 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 -54.7 42.3 32.7 -5.0 2 4 A G - 0 0 23 64,-0.8 64,-0.2 67,-0.2 2,-0.2 0.205 360.0 -95.1-101.7-142.6 42.3 29.3 -3.5 3 5 A M - 0 0 8 62,-1.9 2,-0.5 65,-0.2 28,-0.2 -0.748 33.7-101.8-133.7-178.8 43.9 25.9 -3.9 4 6 A E E -A 30 0A 131 26,-2.2 26,-2.3 -2,-0.2 2,-0.5 -0.937 19.9-171.8-123.2 130.7 43.1 22.6 -5.6 5 7 A L E +A 29 0A 16 -2,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.973 17.4 175.6-112.7 124.7 41.8 19.3 -4.3 6 8 A S E +A 28 0A 55 22,-2.4 22,-2.7 -2,-0.5 2,-0.3 -0.910 0.4 173.7-125.7 157.5 41.7 16.5 -6.8 7 9 A Y E -A 27 0A 78 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.989 18.3-157.4-159.0 163.5 40.8 12.8 -6.4 8 10 A R E -A 26 0A 188 18,-1.9 18,-2.6 -2,-0.3 2,-0.4 -0.970 19.7-134.2-147.7 126.4 40.2 9.6 -8.2 9 11 A R E +A 25 0A 101 -2,-0.3 16,-0.2 16,-0.2 2,-0.1 -0.705 33.3 162.5 -82.3 132.5 38.2 6.6 -7.1 10 12 A S - 0 0 50 14,-2.6 -1,-0.1 -2,-0.4 3,-0.1 -0.587 25.9-151.1-150.7 77.5 40.2 3.4 -7.7 11 13 A D - 0 0 37 -2,-0.1 2,-0.5 1,-0.1 30,-0.0 -0.212 20.8-117.8 -54.9 138.7 38.7 0.6 -5.7 12 14 A L E -C 22 0B 1 10,-1.8 10,-2.3 330,-0.0 2,-0.5 -0.694 26.8-140.1 -82.2 127.8 41.2 -2.1 -4.6 13 15 A I E -C 21 0B 45 -2,-0.5 329,-2.4 8,-0.2 330,-0.4 -0.768 14.9-122.9 -94.3 125.3 40.3 -5.5 -6.2 14 16 A F B -D 341 0C 69 6,-2.5 6,-0.4 -2,-0.5 327,-0.3 -0.431 32.6-107.4 -68.2 134.8 40.8 -8.5 -4.0 15 17 A K 0 0 114 325,-3.0 -1,-0.1 -2,-0.2 326,-0.0 -0.323 360.0 360.0 -62.5 140.5 43.1 -11.2 -5.5 16 18 A R 0 0 258 -3,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.495 360.0 360.0 -67.7 360.0 41.4 -14.3 -6.8 17 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 18 26 A V 0 0 184 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.8 33.3 -12.8 -10.0 19 27 A L - 0 0 98 -3,-0.1 2,-0.3 -6,-0.0 -4,-0.1 -0.606 360.0-156.7 -90.6 148.1 35.7 -10.2 -8.6 20 28 A T - 0 0 91 -6,-0.4 -6,-2.5 -2,-0.2 2,-0.3 -0.893 11.9-176.5-121.9 152.9 35.2 -8.3 -5.4 21 29 A S E -C 13 0B 47 -2,-0.3 -8,-0.2 -8,-0.3 -10,-0.1 -0.871 22.4-124.4-142.9 174.4 36.7 -5.0 -4.3 22 30 A K E -C 12 0B 2 -10,-2.3 -10,-1.8 -2,-0.3 21,-0.1 -0.985 37.1-105.7-126.1 131.1 37.0 -2.4 -1.5 23 31 A P + 0 0 6 0, 0.0 19,-2.3 0, 0.0 2,-0.3 -0.294 50.8 159.0 -57.9 124.6 36.0 1.3 -1.8 24 32 A T E - B 0 41A 0 17,-0.2 -14,-2.6 -2,-0.1 2,-0.4 -0.984 21.3-168.1-153.1 139.4 39.1 3.5 -2.0 25 33 A W E -AB 9 40A 7 15,-2.1 15,-3.0 -2,-0.3 2,-0.6 -0.961 15.0-142.8-124.6 144.7 39.8 7.0 -3.2 26 34 A F E -AB 8 39A 33 -18,-2.6 -18,-1.9 -2,-0.4 2,-0.3 -0.942 23.5-166.4-111.4 123.8 43.1 8.7 -3.8 27 35 A V E -AB 7 38A 1 11,-2.3 11,-2.4 -2,-0.6 2,-0.4 -0.821 7.9-169.3-112.9 149.4 43.2 12.4 -2.9 28 36 A R E -AB 6 37A 83 -22,-2.7 -22,-2.4 -2,-0.3 2,-0.4 -1.000 8.4-158.5-140.4 136.6 45.6 15.1 -3.6 29 37 A L E -AB 5 36A 0 7,-2.4 7,-1.9 -2,-0.4 2,-0.4 -0.944 13.7-170.7-112.9 135.0 46.0 18.7 -2.3 30 38 A D E +AB 4 35A 45 -26,-2.3 -26,-2.2 -2,-0.4 2,-0.3 -0.993 15.4 151.5-130.8 131.3 48.0 21.2 -4.4 31 39 A I E > - B 0 34A 8 3,-2.4 3,-1.8 -2,-0.4 -28,-0.1 -0.951 65.3 -4.9-159.8 134.7 49.1 24.7 -3.4 32 40 A D T 3 S- 0 0 100 -2,-0.3 3,-0.1 1,-0.3 -29,-0.0 0.811 128.3 -49.7 50.4 40.0 51.9 27.0 -4.3 33 41 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.484 119.2 92.7 83.8 4.3 53.7 24.5 -6.5 34 42 A H E < -B 31 0A 119 -3,-1.8 -3,-2.4 2,-0.0 2,-0.3 -0.924 52.5-160.7-130.0 154.9 53.6 21.5 -4.1 35 43 A G E -B 30 0A 8 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.876 6.4-157.8-133.4 166.2 51.3 18.7 -3.5 36 44 A G E -B 29 0A 0 -7,-1.9 -7,-2.4 -2,-0.3 2,-0.3 -0.996 13.4-142.4-142.8 144.2 50.3 16.1 -0.9 37 45 A Q E +B 28 0A 45 -2,-0.3 2,-0.3 82,-0.3 86,-0.3 -0.838 19.0 169.9-113.6 147.5 48.6 12.7 -1.2 38 46 A G E -B 27 0A 0 -11,-2.4 -11,-2.3 -2,-0.3 2,-0.4 -0.914 22.1-132.7-143.7 169.0 46.1 10.8 1.0 39 47 A E E -B 26 0A 2 -2,-0.3 2,-0.7 -13,-0.2 -13,-0.2 -0.990 2.4-152.0-133.9 128.1 43.9 7.7 0.8 40 48 A V E -B 25 0A 0 -15,-3.0 -15,-2.1 -2,-0.4 2,-0.5 -0.888 25.9-175.8 -95.4 114.8 40.2 7.3 1.7 41 49 A S E -B 24 0A 1 -2,-0.7 2,-0.3 -17,-0.2 -17,-0.2 -0.964 4.9-173.6-120.7 120.8 39.8 3.7 2.7 42 50 A L - 0 0 4 -19,-2.3 242,-0.0 -2,-0.5 -2,-0.0 -0.858 16.7-162.5-113.4 148.0 36.5 2.1 3.5 43 51 A I >> - 0 0 27 -2,-0.3 3,-2.6 -21,-0.1 4,-2.4 -0.896 31.5-130.1-125.7 95.0 35.7 -1.4 4.8 44 52 A P T 34 S+ 0 0 85 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.174 92.5 21.8 -47.8 133.1 32.0 -1.9 4.2 45 53 A G T 34 S+ 0 0 91 2,-0.3 3,-0.1 1,-0.1 -3,-0.0 0.287 130.8 45.9 90.6 -10.2 30.2 -3.0 7.3 46 54 A L T <4 S+ 0 0 41 -3,-2.6 -1,-0.1 1,-0.1 -4,-0.0 0.639 89.0 78.9-126.9 -54.8 32.9 -1.6 9.6 47 55 A S < - 0 0 19 -4,-2.4 -2,-0.3 1,-0.1 4,-0.1 -0.336 68.7-141.2 -61.6 142.4 33.9 1.9 8.5 48 56 A L S S+ 0 0 77 236,-0.2 -1,-0.1 60,-0.1 236,-0.1 0.800 70.6 103.4 -75.3 -30.8 31.4 4.6 9.6 49 57 A D S S- 0 0 9 1,-0.1 2,-0.7 2,-0.1 61,-0.1 -0.308 78.8-121.5 -58.7 125.6 31.7 6.7 6.4 50 58 A P >> - 0 0 41 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.592 18.4-148.5 -71.7 114.0 28.7 6.2 4.1 51 59 A E H >> S+ 0 0 77 -2,-0.7 3,-0.9 1,-0.3 4,-0.5 0.858 93.3 58.3 -49.0 -44.4 30.2 4.9 0.9 52 60 A E H 34 S+ 0 0 149 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.516 108.1 47.0 -69.3 -4.3 27.6 6.6 -1.3 53 61 A Q H <> S+ 0 0 80 -3,-2.2 4,-2.3 2,-0.1 -1,-0.2 0.507 83.0 88.2-114.8 -7.8 28.5 10.0 0.1 54 62 A I H S+ 0 0 167 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.863 110.1 55.2 -67.4 -35.8 30.0 14.4 -2.8 57 65 A E H X S+ 0 0 50 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.909 110.3 46.9 -63.3 -39.3 31.9 15.2 0.3 58 66 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.906 112.9 48.6 -68.7 -40.8 35.1 15.4 -1.8 59 67 A D H X S+ 0 0 70 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.885 110.6 51.1 -66.1 -37.8 33.3 17.5 -4.4 60 68 A L H X S+ 0 0 62 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.877 111.6 47.7 -66.2 -38.1 32.0 19.8 -1.7 61 69 A L H X S+ 0 0 9 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.903 108.4 53.8 -69.4 -41.7 35.4 20.2 -0.3 62 70 A A H X S+ 0 0 24 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.909 109.9 48.7 -59.0 -41.3 37.0 20.9 -3.6 63 71 A R H X S+ 0 0 189 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.913 112.4 48.0 -64.5 -42.8 34.5 23.7 -4.2 64 72 A R H X S+ 0 0 104 -4,-1.9 4,-0.9 1,-0.2 3,-0.3 0.917 110.9 50.2 -64.2 -45.1 35.1 25.2 -0.7 65 73 A L H < S+ 0 0 2 -4,-3.0 -62,-1.9 1,-0.2 -1,-0.2 0.761 108.9 51.8 -67.5 -25.0 38.9 25.1 -1.2 66 74 A R H < S+ 0 0 191 -4,-1.4 -64,-0.8 -64,-0.2 -1,-0.2 0.782 108.6 53.4 -80.1 -25.7 38.7 26.8 -4.6 67 75 A A H < S+ 0 0 79 -4,-1.2 2,-0.3 -3,-0.3 -2,-0.2 0.613 102.4 59.2 -85.7 -16.1 36.6 29.6 -3.1 68 76 A E S < S- 0 0 69 -4,-0.9 -65,-0.2 -3,-0.1 0, 0.0 -0.886 82.6-111.1-121.6 151.9 38.7 30.7 -0.2 69 77 A E - 0 0 114 -2,-0.3 2,-2.6 -67,-0.1 3,-0.4 -0.634 31.5-131.2 -74.8 124.4 42.2 32.1 0.3 70 78 A P > + 0 0 7 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.271 55.1 144.6 -75.8 57.8 44.2 29.4 2.1 71 79 A I H > + 0 0 102 -2,-2.6 4,-1.9 1,-0.2 5,-0.2 0.938 69.6 43.8 -62.8 -49.9 45.6 31.9 4.6 72 80 A R H > S+ 0 0 132 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.898 114.3 50.7 -64.8 -38.9 45.6 29.5 7.6 73 81 A L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 108.7 51.4 -65.3 -42.9 47.1 26.7 5.6 74 82 A R H X S+ 0 0 83 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.896 110.0 49.4 -61.3 -39.1 49.9 28.8 4.2 75 83 A Q H X S+ 0 0 107 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.900 110.8 51.0 -66.4 -40.1 50.8 29.9 7.7 76 84 A F H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.939 109.3 49.7 -60.5 -49.3 50.8 26.3 8.9 77 85 A L H < S+ 0 0 35 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.875 116.0 42.8 -60.0 -37.9 53.1 25.3 6.0 78 86 A A H >< S+ 0 0 79 -4,-1.9 3,-1.1 -5,-0.2 4,-0.3 0.973 115.8 46.4 -72.5 -53.8 55.5 28.1 6.8 79 87 A E H 3< S+ 0 0 119 -4,-2.9 3,-0.3 1,-0.3 4,-0.3 0.827 121.5 36.4 -57.7 -38.0 55.5 27.7 10.6 80 88 A R T 3< S+ 0 0 54 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.357 84.5 106.0-100.0 6.9 55.9 23.9 10.6 81 89 A G S < S+ 0 0 48 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.802 82.0 48.3 -55.1 -33.1 58.2 23.8 7.6 82 90 A G S S+ 0 0 47 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.994 70.0 172.5 -70.6 -68.9 61.2 23.1 9.9 83 91 A A > + 0 0 32 -4,-0.3 3,-1.5 1,-0.1 -1,-0.1 0.064 61.6 87.8 82.5 -27.8 59.7 20.3 12.0 84 92 A D T 3 S+ 0 0 149 1,-0.3 -1,-0.1 3,-0.1 -3,-0.0 0.920 97.4 42.5 -63.5 -41.1 63.0 19.6 13.7 85 93 A F T 3 S+ 0 0 199 2,-0.0 2,-0.3 1,-0.0 -1,-0.3 -0.082 113.7 66.9 -93.7 32.1 61.8 22.3 16.1 86 94 A S S < S- 0 0 14 -3,-1.5 2,-0.1 -4,-0.1 -1,-0.0 -0.928 74.8-129.1-157.6 129.5 58.2 20.9 16.2 87 95 A D > - 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