==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 29-DEC-09 3L7T . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-X.FAN,K.-T.WANG,X.-D.SU . 532 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 28.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.8 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 3 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 3 4 0 0 4 0 12 0 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 . 0 0 0 0 0 0 1 3 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 2 A K 0 0 191 0, 0.0 2,-1.2 0, 0.0 490,-0.3 0.000 360.0 360.0 360.0 66.4 0.7 12.3 -26.6 2 3 A L - 0 0 28 426,-0.4 449,-0.3 1,-0.2 488,-0.2 -0.713 360.0-178.9 -88.6 98.6 -2.0 10.0 -25.4 3 4 A K - 0 0 83 486,-1.4 448,-0.3 -2,-1.2 2,-0.3 0.772 51.6 -27.3 -78.3 -33.9 -4.2 12.7 -23.9 4 5 A A E S-A 489 0A 30 485,-0.7 485,-2.4 446,-0.2 2,-0.4 -0.944 73.5 -78.1-171.6 162.0 -7.2 10.8 -22.5 5 6 A V E -A 488 0A 6 445,-0.3 483,-0.3 -2,-0.3 3,-0.1 -0.772 33.2-169.7 -75.0 134.6 -9.2 7.7 -22.9 6 7 A H E - 0 0 34 481,-2.7 46,-2.2 -2,-0.4 2,-0.3 0.870 64.8 -22.8 -88.2 -50.4 -11.6 8.1 -25.8 7 8 A H E -Ab 487 52A 0 480,-1.1 480,-2.7 44,-0.2 2,-0.4 -0.987 47.5-141.0-157.9 161.7 -13.6 4.9 -25.2 8 9 A V E -Ab 486 53A 1 44,-2.0 46,-2.8 -2,-0.3 2,-0.3 -0.990 23.7-155.0-125.7 133.5 -13.6 1.5 -23.5 9 10 A A E +Ab 485 54A 0 476,-2.5 475,-3.2 -2,-0.4 476,-0.7 -0.806 12.8 179.8-111.2 150.5 -15.2 -1.4 -25.3 10 11 A L E -Ab 483 55A 1 44,-2.4 46,-2.8 -2,-0.3 2,-0.4 -0.977 21.3-129.4-147.9 159.8 -16.7 -4.6 -23.9 11 12 A I E -Ab 482 56A 18 471,-2.5 471,-2.5 -2,-0.3 2,-0.3 -0.907 19.8-169.1-112.3 140.0 -18.4 -7.7 -25.0 12 13 A V - 0 0 1 44,-2.2 46,-0.4 -2,-0.4 3,-0.2 -0.831 20.8-142.4-128.1 153.6 -21.6 -9.1 -23.6 13 14 A S S S+ 0 0 31 -2,-0.3 2,-0.6 1,-0.3 45,-0.3 0.815 93.4 35.9 -82.8 -41.8 -23.3 -12.5 -24.1 14 15 A D > - 0 0 20 1,-0.2 4,-2.5 43,-0.1 3,-0.3 -0.912 68.3-164.0-120.8 101.5 -26.9 -11.4 -24.2 15 16 A Y H > S+ 0 0 2 43,-2.3 4,-2.4 -2,-0.6 5,-0.2 0.888 88.1 47.5 -55.4 -46.5 -27.4 -8.0 -25.8 16 17 A D H > S+ 0 0 79 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 113.1 48.1 -62.6 -38.9 -30.9 -7.4 -24.4 17 18 A K H > S+ 0 0 136 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.900 115.2 44.9 -72.4 -36.5 -30.0 -8.4 -20.9 18 19 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.841 109.5 55.2 -77.9 -28.8 -26.9 -6.2 -20.9 19 20 A Y H X>S+ 0 0 68 -4,-2.4 4,-2.5 -5,-0.3 5,-1.0 0.949 109.2 49.0 -65.5 -47.2 -28.8 -3.3 -22.5 20 21 A E H X>S+ 0 0 89 -4,-2.2 5,-1.7 -5,-0.2 4,-0.7 0.941 113.9 46.5 -52.9 -48.3 -31.2 -3.5 -19.6 21 22 A F H X>S+ 0 0 5 -4,-2.0 5,-2.3 3,-0.2 4,-0.6 0.968 121.4 33.1 -61.4 -59.3 -28.3 -3.6 -17.1 22 23 A Y H <5S+ 0 0 2 -4,-2.7 6,-2.1 3,-0.2 -1,-0.2 0.853 130.4 30.4 -66.9 -44.3 -26.3 -0.7 -18.5 23 24 A V H <5S+ 0 0 20 -4,-2.5 4,-0.3 -5,-0.3 -3,-0.2 0.926 130.8 29.8 -87.8 -46.9 -29.0 1.6 -19.8 24 25 A N H <> -C 41 0A 95 5,-2.4 4,-2.2 -2,-0.5 5,-1.6 -0.782 38.5-127.8-132.5 88.6 -24.3 -4.5 -38.6 37 38 A P T 45S- 0 0 71 0, 0.0 2,-2.5 0, 0.0 -2,-0.0 -0.021 82.2 -14.4 -46.1 130.1 -25.0 -8.2 -38.9 38 39 A K T 45S+ 0 0 187 1,-0.2 -2,-0.0 26,-0.0 0, 0.0 -0.347 123.3 78.7 68.1 -59.4 -21.8 -10.1 -38.6 39 40 A R T 45S- 0 0 141 -2,-2.5 -1,-0.2 1,-0.2 -4,-0.0 0.937 134.1 -31.4 -41.0 -62.6 -19.5 -7.1 -39.1 40 41 A H T <5S- 0 0 24 -4,-2.2 17,-0.3 1,-0.3 -1,-0.2 0.274 76.2-147.1-142.9 15.8 -20.1 -6.1 -35.5 41 42 A D E - D 0 51A 2 3,-2.4 3,-2.1 -2,-0.5 359,-0.4 -0.809 66.5 -73.5-135.4 88.3 -19.8 8.3 -19.2 49 50 A G T 3 S- 0 0 24 -2,-0.4 -1,-0.3 1,-0.3 357,-0.1 -0.339 113.3 -14.2 52.0-125.1 -18.7 11.9 -18.7 50 51 A D T 3 S+ 0 0 152 -3,-0.1 2,-0.4 357,-0.1 -1,-0.3 0.368 127.9 72.3 -87.4 7.8 -16.0 12.4 -21.3 51 52 A I E < S- D 0 48A 14 -3,-2.1 -3,-2.4 -44,-0.0 2,-0.3 -0.939 71.5-137.6-122.1 145.7 -15.5 8.8 -22.3 52 53 A E E -bD 7 47A 33 -46,-2.2 -44,-2.0 -2,-0.4 2,-0.5 -0.737 6.3-145.4 -95.5 150.1 -17.7 6.5 -24.2 53 54 A L E -bD 8 46A 0 -7,-2.4 -7,-3.1 -2,-0.3 2,-0.7 -0.972 14.1-155.9-106.9 124.7 -18.5 2.8 -23.3 54 55 A E E -bD 9 45A 9 -46,-2.8 -44,-2.4 -2,-0.5 2,-0.5 -0.909 6.7-163.3-104.3 112.3 -18.9 0.7 -26.4 55 56 A I E -bD 10 44A 1 -11,-3.6 -11,-2.9 -2,-0.7 2,-0.5 -0.842 5.9-171.0 -98.0 126.3 -21.0 -2.4 -25.7 56 57 A F E +bD 11 43A 21 -46,-2.8 -44,-2.2 -2,-0.5 2,-0.3 -0.943 26.9 114.2-115.1 132.3 -20.8 -5.1 -28.4 57 58 A G E - D 0 42A 10 -15,-2.0 -15,-2.3 -2,-0.5 2,-0.3 -0.970 48.6-114.3-172.8-175.9 -23.0 -8.1 -28.4 58 59 A N - 0 0 9 -46,-0.4 -43,-2.3 -2,-0.3 2,-0.2 -0.924 29.2-109.9-136.3 155.3 -25.7 -10.0 -30.2 59 60 A K > - 0 0 49 -2,-0.3 3,-1.4 -45,-0.2 6,-0.1 -0.649 22.8-128.2 -88.8 146.7 -29.4 -10.8 -29.3 60 61 A L T 3 S+ 0 0 92 1,-0.3 5,-0.2 -2,-0.2 -1,-0.1 0.755 110.5 56.0 -67.6 -23.5 -30.3 -14.4 -28.5 61 62 A T T 3 S+ 0 0 121 3,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.586 79.8 115.2 -81.1 -15.9 -33.1 -14.2 -31.1 62 63 A D S X S- 0 0 31 -3,-1.4 3,-1.6 1,-0.1 -4,-0.0 -0.327 73.9-127.5 -58.0 140.9 -30.7 -13.1 -33.9 63 64 A S T 3 S+ 0 0 85 1,-0.3 -1,-0.1 269,-0.0 -3,-0.0 0.735 107.2 43.4 -69.1 -19.5 -30.6 -15.8 -36.6 64 65 A N T 3 S+ 0 0 92 268,-0.1 -1,-0.3 2,-0.0 2,-0.1 -0.039 80.5 155.6-114.8 32.7 -26.7 -15.9 -36.4 65 66 A Y < + 0 0 54 -3,-1.6 2,-0.4 -5,-0.2 -5,-0.1 -0.350 12.8 172.4 -61.7 127.0 -26.3 -15.9 -32.7 66 67 A a - 0 0 14 -2,-0.1 -8,-0.1 -53,-0.1 -2,-0.0 -0.954 31.4-128.7-135.4 113.6 -23.0 -17.4 -31.4 67 68 A A - 0 0 24 -2,-0.4 -54,-0.1 1,-0.1 3,-0.1 -0.432 23.4-126.7 -62.1 133.4 -22.4 -17.0 -27.6 68 69 A P - 0 0 16 0, 0.0 412,-0.2 0, 0.0 3,-0.1 -0.417 37.9 -85.4 -73.3 161.1 -19.0 -15.6 -26.9 69 70 A P - 0 0 26 0, 0.0 412,-2.7 0, 0.0 2,-0.1 -0.168 51.1 -97.5 -60.3 156.8 -16.8 -17.4 -24.4 70 71 A E - 0 0 111 138,-0.6 2,-0.2 410,-0.2 56,-0.1 -0.428 42.9 -97.8 -71.1 146.9 -17.2 -16.7 -20.7 71 72 A R - 0 0 31 54,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.498 38.7-119.9 -58.0 137.5 -14.8 -14.3 -19.0 72 73 A I + 0 0 51 -2,-0.2 6,-0.6 409,-0.2 -1,-0.1 -0.757 49.0 152.5 -84.6 121.9 -12.1 -16.1 -17.3 73 74 A S + 0 0 47 -2,-0.6 4,-0.3 1,-0.3 -1,-0.2 0.553 39.8 92.4-121.6 -18.7 -12.2 -15.3 -13.6 74 75 A W S S- 0 0 193 2,-0.3 130,-0.6 1,-0.1 -1,-0.3 -0.998 95.5 -11.5-145.5 142.8 -10.7 -18.3 -11.8 75 76 A P S S+ 0 0 55 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.980 138.2 0.4 -73.7 -24.4 -8.0 -19.3 -10.7 76 77 A R S S- 0 0 91 125,-0.0 -2,-0.3 126,-0.0 2,-0.0 -0.997 71.9-124.8-129.9 130.8 -6.3 -16.5 -12.6 77 78 A E - 0 0 38 -2,-0.4 -4,-0.2 -4,-0.3 3,-0.1 -0.383 38.9-106.7 -65.2 153.1 -7.8 -13.8 -14.8 78 79 A A - 0 0 22 -6,-0.6 335,-0.2 392,-0.2 394,-0.2 -0.290 38.3 -85.2 -75.8 163.3 -6.4 -13.6 -18.3 79 80 A C S S+ 0 0 6 392,-2.2 2,-0.2 333,-0.1 335,-0.2 -0.364 91.4 51.1 -53.8 149.4 -4.1 -10.9 -19.7 80 81 A G E S-I 413 0B 2 333,-2.5 333,-2.8 393,-0.1 2,-0.2 -0.718 100.9 -2.3 117.9-163.3 -5.9 -7.9 -21.0 81 82 A L E +I 412 0B 13 -2,-0.2 402,-0.3 331,-0.2 331,-0.3 -0.394 58.4 178.7 -71.5 132.6 -8.5 -5.5 -19.7 82 83 A R E - 0 0 40 329,-2.9 2,-0.3 1,-0.3 401,-0.3 0.913 49.0 -20.4-102.8 -63.8 -9.6 -6.6 -16.2 83 84 A H E -I 411 0B 7 328,-0.6 328,-2.6 44,-0.1 2,-0.4 -0.914 48.3-132.8-151.3 171.8 -12.2 -4.2 -14.7 84 85 A L E -Ij 410 129B 1 44,-1.4 46,-1.6 -2,-0.3 2,-0.4 -0.996 15.5-158.3-136.3 135.1 -13.6 -0.7 -14.8 85 86 A A E -Ij 409 130B 0 324,-2.7 323,-3.1 -2,-0.4 324,-1.0 -0.931 4.2-153.0-120.6 145.2 -14.2 1.6 -11.9 86 87 A F E -Ij 407 131B 0 44,-3.3 46,-2.1 -2,-0.4 2,-0.3 -0.925 18.9-120.2-117.0 141.3 -16.5 4.6 -11.8 87 88 A Y E +Ij 406 132B 79 319,-2.4 318,-1.2 -2,-0.4 319,-0.6 -0.567 35.6 173.3 -72.8 127.5 -16.4 7.7 -9.6 88 89 A V - 0 0 1 44,-2.4 3,-0.3 -2,-0.3 316,-0.1 -0.984 35.0-135.7-129.7 149.9 -19.3 8.3 -7.3 89 90 A E S S+ 0 0 141 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.890 98.9 25.3 -66.2 -37.7 -19.8 10.9 -4.6 90 91 A D > - 0 0 76 1,-0.1 4,-2.5 43,-0.1 -1,-0.3 -0.893 59.5-178.1-138.0 95.3 -21.2 8.5 -2.1 91 92 A V H > S+ 0 0 0 -2,-0.4 4,-3.0 -3,-0.3 5,-0.2 0.886 86.1 57.1 -59.4 -39.7 -20.2 4.8 -2.3 92 93 A E H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 113.4 37.5 -59.5 -51.5 -22.4 3.8 0.6 93 94 A A H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.916 115.1 53.3 -67.0 -47.8 -25.5 5.2 -0.9 94 95 A S H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 109.6 50.0 -54.9 -44.6 -24.7 4.1 -4.4 95 96 A R H X S+ 0 0 56 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.901 109.4 52.1 -58.4 -46.1 -24.2 0.6 -3.1 96 97 A Q H X S+ 0 0 119 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.1 47.9 -50.6 -55.6 -27.6 0.9 -1.3 97 98 A E H X S+ 0 0 107 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.880 110.8 51.8 -58.7 -42.3 -29.4 1.9 -4.5 98 99 A L H X>S+ 0 0 13 -4,-2.2 5,-2.6 2,-0.2 4,-0.6 0.916 109.5 47.7 -61.3 -48.6 -27.8 -0.9 -6.5 99 100 A I H ><5S+ 0 0 72 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.907 108.7 56.2 -59.2 -37.1 -28.8 -3.5 -4.0 100 101 A A H 3<5S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 104.4 53.4 -65.5 -26.7 -32.3 -2.0 -4.1 101 102 A L H 3<5S- 0 0 88 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.591 127.3-102.6 -82.5 -11.4 -32.3 -2.5 -7.9 102 103 A G T <<5S+ 0 0 64 -3,-1.2 2,-0.5 -4,-0.6 -3,-0.2 0.611 80.2 132.8 95.8 20.1 -31.4 -6.2 -7.3 103 104 A I < - 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0 0 95 -6,-0.2 -5,-2.6 1,-0.1 -2,-0.1 -0.401 57.6-104.6 -74.4 138.7 -11.2 6.1 -0.0 117 118 A K E +K 110 0B 48 -7,-0.2 16,-2.2 -2,-0.1 2,-0.3 -0.225 47.1 162.8 -61.0 148.6 -14.4 3.9 0.0 118 119 A M E -KL 109 132B 19 -9,-2.4 -9,-2.5 14,-0.2 2,-0.3 -0.972 16.3-166.2-158.8 162.5 -15.0 1.6 -2.9 119 120 A A E - L 0 131B 0 12,-1.9 12,-2.8 -2,-0.3 2,-0.4 -0.969 15.1-132.2-157.0 137.4 -17.2 -1.4 -3.6 120 121 A F E + L 0 130B 39 -13,-0.3 -14,-2.7 -2,-0.3 2,-0.2 -0.764 26.1 164.9 -88.8 142.8 -17.3 -4.1 -6.4 121 122 A F E - L 0 129B 0 8,-2.7 8,-2.7 -2,-0.4 2,-0.3 -0.783 25.9-125.2-137.0-176.8 -20.4 -5.3 -8.3 122 123 A F E - L 0 128B 69 -18,-0.5 -18,-0.1 -2,-0.2 8,-0.0 -0.971 6.3-127.3-139.4 148.1 -20.7 -7.3 -11.5 123 124 A D > - 0 0 7 4,-1.8 3,-2.4 -2,-0.3 -105,-0.1 -0.307 50.2 -88.4 -84.2 170.9 -22.3 -7.1 -14.9 124 125 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -106,-0.0 0.700 131.0 49.7 -55.3 -22.2 -24.5 -9.9 -16.2 125 126 A D T 3 S- 0 0 34 2,-0.1 -54,-0.5 -114,-0.1 356,-0.0 0.206 124.6-101.1-103.0 18.1 -21.4 -11.6 -17.7 126 127 A G < + 0 0 28 -3,-2.4 -56,-0.0 1,-0.3 -5,-0.0 0.671 65.3 159.3 75.2 17.8 -19.4 -11.3 -14.4 127 128 A L - 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