==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 25-AUG-04 1XAE . COMPND 2 MOLECULE: FLUORESCENT PROTEIN FP538; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOANTHUS SP.; . AUTHOR S.J.REMINGTON,R.M.WACHTER,D.K.YARBROUGH,B.BRANCHAUD, . 443 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 203 45.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 56 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 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 . 2 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 2 1 3 0 2 2 4 2 6 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 0 0 0 0 0 0 2 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 6 A H 0 0 116 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.6 76.9 17.6 70.9 2 7 A G + 0 0 56 1,-0.4 2,-0.2 78,-0.1 109,-0.0 0.381 360.0 143.2 102.8 3.2 75.1 20.7 72.2 3 8 A L - 0 0 18 74,-0.1 -1,-0.4 1,-0.1 2,-0.2 -0.473 44.3-138.9 -77.8 146.1 71.9 18.9 71.6 4 9 A K - 0 0 103 -2,-0.2 29,-0.3 1,-0.1 3,-0.1 -0.531 22.3-119.3 -94.1 164.6 69.0 19.2 74.0 5 10 A E S S+ 0 0 141 1,-0.2 2,-0.4 -2,-0.2 28,-0.4 0.881 108.2 37.2 -69.9 -36.5 66.8 16.2 75.0 6 11 A E S S- 0 0 92 25,-0.2 2,-0.3 26,-0.1 25,-0.2 -0.944 80.7-176.2-116.0 135.3 64.0 18.1 73.4 7 12 A M E -A 30 0A 5 23,-3.5 23,-2.9 -2,-0.4 2,-0.3 -0.914 19.2-143.2-134.6 160.0 64.3 20.2 70.3 8 13 A T E -Ab 29 112A 53 103,-1.6 105,-2.5 -2,-0.3 2,-0.3 -0.865 21.8-170.7-116.9 151.0 62.5 22.5 68.0 9 14 A M E -Ab 28 113A 3 19,-2.4 19,-1.9 -2,-0.3 2,-0.4 -0.963 13.9-139.0-143.6 159.6 62.9 22.6 64.3 10 15 A K E -Ab 27 114A 90 103,-2.8 105,-1.5 -2,-0.3 2,-0.4 -0.930 13.3-154.8-122.9 145.9 61.9 24.7 61.3 11 16 A Y E +Ab 26 115A 4 15,-2.1 15,-2.7 -2,-0.4 2,-0.3 -0.973 18.8 165.0-127.5 137.0 60.8 23.7 57.8 12 17 A H E -Ab 25 116A 64 103,-1.4 105,-2.4 -2,-0.4 2,-0.5 -0.852 14.3-174.7-147.6 103.1 60.9 25.3 54.5 13 18 A M E -Ab 24 117A 0 11,-3.6 11,-2.1 -2,-0.3 2,-0.5 -0.898 7.7-167.9-108.5 128.8 60.3 23.2 51.4 14 19 A E E +Ab 23 118A 90 103,-3.3 105,-2.8 -2,-0.5 2,-0.3 -0.952 28.0 154.3-110.8 123.5 60.6 24.4 47.9 15 20 A G E -Ab 22 119A 12 7,-2.0 7,-2.6 -2,-0.5 2,-0.3 -0.949 39.7-160.7-151.7 172.8 59.3 22.1 45.2 16 21 A X E -Ab 21 120A 43 103,-1.9 105,-1.6 -2,-0.3 2,-0.6 -0.871 15.7-173.5-152.5 110.1 57.8 21.3 41.8 17 22 A V E > S-Ab 20 121A 2 3,-2.5 3,-1.6 -2,-0.3 105,-0.2 -0.930 77.4 -20.2-114.3 112.1 56.1 18.0 41.3 18 23 A N T 3 S- 0 0 62 103,-3.4 -1,-0.2 -2,-0.6 104,-0.1 0.877 133.1 -45.5 61.6 36.1 55.1 17.2 37.7 19 24 A G T 3 S+ 0 0 59 102,-0.4 2,-0.8 1,-0.2 -1,-0.3 0.260 111.9 124.0 92.3 -12.6 55.3 20.9 36.9 20 25 A H E < -A 17 0A 56 -3,-1.6 -3,-2.5 2,-0.0 2,-0.3 -0.736 47.3-157.4 -87.5 111.7 53.4 22.0 40.0 21 26 A K E +A 16 0A 74 -2,-0.8 2,-0.3 -5,-0.3 -5,-0.3 -0.637 21.1 166.9 -85.7 144.8 55.4 24.4 42.0 22 27 A F E -A 15 0A 3 -7,-2.6 -7,-2.0 -2,-0.3 2,-0.4 -0.962 28.3-138.7-152.7 168.7 54.6 24.7 45.7 23 28 A V E -AC 14 45A 9 22,-3.3 21,-2.7 -2,-0.3 22,-1.7 -0.951 17.0-178.5-141.3 118.0 55.8 26.0 49.0 24 29 A I E -AC 13 43A 0 -11,-2.1 -11,-3.6 -2,-0.4 2,-0.3 -0.925 1.5-175.0-118.5 137.9 55.6 24.3 52.4 25 30 A T E +AC 12 42A 47 17,-2.3 17,-2.4 -2,-0.4 2,-0.3 -0.913 12.6 173.6-125.7 153.2 56.6 25.7 55.7 26 31 A G E -AC 11 41A 5 -15,-2.7 -15,-2.1 -2,-0.3 2,-0.3 -0.925 23.3-153.0-152.6 178.9 56.7 23.9 59.0 27 32 A E E +AC 10 40A 87 13,-1.7 13,-3.5 -2,-0.3 2,-0.3 -0.967 22.6 170.7-154.0 146.8 57.6 23.7 62.7 28 33 A G E -AC 9 39A 4 -19,-1.9 -19,-2.4 -2,-0.3 2,-0.4 -0.993 28.1-136.4-159.9 166.2 58.3 20.8 65.0 29 34 A I E +AC 8 38A 56 9,-1.9 9,-2.4 -2,-0.3 2,-0.3 -0.945 32.3 175.2-121.6 142.5 59.5 19.3 68.4 30 35 A G E -AC 7 37A 0 -23,-2.9 -23,-3.5 -2,-0.4 7,-0.3 -0.970 34.7-134.4-150.6 166.4 61.7 16.4 68.6 31 36 A Y E >>> - C 0 36A 82 5,-3.5 4,-2.7 -2,-0.3 5,-1.4 -0.828 16.6-172.7-125.9 85.6 63.7 14.1 70.9 32 37 A P T 345S+ 0 0 0 0, 0.0 34,-0.7 0, 0.0 -1,-0.2 0.871 91.0 43.0 -42.6 -48.3 67.2 13.6 69.3 33 38 A F T 345S+ 0 0 81 -28,-0.4 -28,-0.1 -29,-0.3 -27,-0.1 0.727 115.8 48.0 -76.5 -21.1 68.0 11.0 71.9 34 39 A K T <45S- 0 0 55 -3,-0.9 33,-0.3 -29,-0.4 -1,-0.2 0.711 103.3-130.2 -88.9 -22.3 64.6 9.4 71.7 35 40 A G T <5 + 0 0 0 -4,-2.7 181,-2.1 1,-0.3 2,-0.3 0.780 66.2 126.9 74.6 29.1 64.7 9.3 67.9 36 41 A K E < +CD 31 215A 99 -5,-1.4 -5,-3.5 179,-0.2 -1,-0.3 -0.918 32.4 171.4-123.1 147.6 61.3 10.8 67.8 37 42 A Q E -CD 30 214A 15 177,-1.9 177,-2.6 -2,-0.3 2,-0.4 -0.984 15.7-165.3-155.2 142.0 59.8 13.9 66.0 38 43 A T E -CD 29 213A 58 -9,-2.4 -9,-1.9 -2,-0.3 2,-0.3 -0.984 20.3-175.0-130.4 116.4 56.4 15.5 65.4 39 44 A I E -CD 28 212A 7 173,-1.7 173,-3.0 -2,-0.4 2,-0.5 -0.883 19.7-144.7-121.5 151.7 56.1 18.2 62.8 40 45 A N E -CD 27 211A 51 -13,-3.5 -13,-1.7 -2,-0.3 2,-0.3 -0.960 22.0-166.2-114.2 120.6 53.4 20.5 61.5 41 46 A L E -CD 26 210A 4 169,-2.6 169,-1.1 -2,-0.5 2,-0.4 -0.804 7.5-171.3-113.1 149.0 53.4 21.4 57.8 42 47 A X E -CD 25 209A 45 -17,-2.4 -17,-2.3 -2,-0.3 2,-1.1 -0.982 23.7-135.3-143.2 130.0 51.6 24.1 55.8 43 48 A V E +C 24 0A 6 165,-2.5 165,-0.4 -2,-0.4 -19,-0.3 -0.700 31.0 166.3 -81.6 99.6 51.2 24.7 52.0 44 49 A I E + 0 0 86 -21,-2.7 2,-0.3 -2,-1.1 -20,-0.2 0.530 68.7 27.8 -91.6 -7.0 51.8 28.4 51.8 45 50 A E E S+C 23 0A 121 -22,-1.7 -22,-3.3 -3,-0.1 -1,-0.2 -0.979 119.4 15.9-156.0 139.5 52.1 28.2 48.0 46 51 A G S S- 0 0 28 -2,-0.3 -2,-0.1 -24,-0.3 -22,-0.1 0.472 91.9-176.4 78.5 4.5 50.8 25.9 45.3 47 52 A G + 0 0 42 -24,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.496 53.6 51.4 -86.4 159.3 48.0 24.5 47.5 48 53 A P S S- 0 0 108 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.538 93.8-125.6 -73.2 148.8 46.0 22.6 47.5 49 54 A L - 0 0 1 -2,-0.1 4,-0.1 1,-0.1 -2,-0.1 -0.413 8.3-148.9 -67.7 130.7 48.5 20.1 46.3 50 55 A P S S+ 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.566 79.1 52.6 -71.0 -14.0 47.6 18.2 43.1 51 56 A F S S- 0 0 0 81,-0.1 2,-0.3 82,-0.1 80,-0.2 -0.678 103.6 -70.3-119.3 175.1 49.5 15.1 44.3 52 57 A S > - 0 0 2 78,-0.8 3,-1.4 -2,-0.2 4,-0.2 -0.510 34.4-145.2 -69.6 123.8 49.7 12.9 47.3 53 58 A E G >> S+ 0 0 17 -2,-0.3 4,-0.6 1,-0.3 3,-0.6 0.515 89.6 79.9 -65.8 -8.4 51.4 14.7 50.2 54 59 A D G 34 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.713 78.9 65.3 -75.1 -22.1 53.0 11.4 51.3 55 60 A I G <4 S+ 0 0 1 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.749 101.6 50.2 -71.1 -23.3 55.7 11.7 48.7 56 61 A L T X4 S+ 0 0 0 -3,-0.6 3,-1.9 -4,-0.2 -1,-0.2 0.718 85.7 93.4 -84.5 -27.7 57.1 14.8 50.5 57 62 A S G >< S+ 0 0 6 -4,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.810 86.9 40.1 -31.2 -69.4 57.2 13.2 54.0 58 63 A A G 3 S+ 0 0 27 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.580 103.4 71.3 -67.0 -10.1 60.8 11.9 54.1 59 64 A G G < 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.401 360.0 360.0 -86.4 6.5 62.0 15.1 52.4 60 65 A X < 0 0 10 -3,-1.6 -1,-0.2 -4,-0.2 -3,-0.1 -0.417 360.0 360.0 -94.6 360.0 61.3 17.0 55.6 61 ! 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 62 69 A D > 0 0 9 0, 0.0 3,-2.2 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 99.5 66.4 14.4 60.0 63 70 A R T 3 + 0 0 14 1,-0.3 14,-0.2 13,-0.0 13,-0.2 0.612 360.0 78.2 -59.5 -12.1 68.6 11.5 60.9 64 71 A I T 3 S+ 0 0 1 1,-0.3 2,-2.1 12,-0.2 -1,-0.3 0.893 82.9 68.7 -61.7 -37.3 69.6 13.4 64.0 65 72 A F S < S+ 0 0 0 -3,-2.2 2,-0.3 -30,-0.1 -1,-0.3 -0.539 78.4 110.4 -83.7 70.1 66.3 12.2 65.2 66 73 A T - 0 0 0 -2,-2.1 2,-0.8 -34,-0.7 -31,-0.3 -0.927 69.1-129.3-148.0 117.6 67.5 8.6 65.4 67 74 A E B -e 217 0A 83 149,-2.9 151,-3.5 -33,-0.3 -34,-0.1 -0.634 33.4-166.2 -76.9 112.2 68.0 6.7 68.6 68 75 A Y - 0 0 30 -2,-0.8 2,-0.1 149,-0.2 6,-0.1 -0.673 18.1-119.1 -99.7 150.0 71.5 5.3 68.3 69 76 A P > - 0 0 32 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.418 25.7-118.2 -79.8 161.1 73.1 2.6 70.4 70 77 A Q T 3 S+ 0 0 107 1,-0.2 4,-0.1 -2,-0.1 -2,-0.0 0.868 115.2 57.7 -69.2 -33.1 76.3 3.5 72.4 71 78 A D T 3 S+ 0 0 128 2,-0.1 2,-0.5 1,-0.0 -1,-0.2 0.586 99.7 76.3 -71.3 -10.5 78.2 0.9 70.4 72 79 A I S < S- 0 0 20 -3,-0.9 2,-0.2 116,-0.1 146,-0.1 -0.911 83.4-121.5-113.1 131.1 77.3 2.7 67.2 73 80 A V - 0 0 42 -2,-0.5 2,-1.2 114,-0.1 3,-0.2 -0.428 17.9-143.7 -66.1 128.7 78.7 6.0 65.9 74 81 A D > + 0 0 17 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 -0.699 20.1 179.4 -98.2 81.9 76.1 8.7 65.4 75 82 A Y H > S+ 0 0 5 -2,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.872 80.6 51.2 -45.7 -45.3 77.3 10.5 62.3 76 83 A F H >4 S+ 0 0 0 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.939 113.2 39.6 -64.4 -52.7 74.4 12.8 62.5 77 84 A K H >4 S+ 0 0 4 1,-0.3 3,-2.9 2,-0.2 -2,-0.2 0.931 110.5 58.7 -66.8 -40.4 74.7 14.0 66.1 78 85 A N H 3< S+ 0 0 71 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.802 90.3 77.7 -55.9 -22.7 78.4 14.1 65.8 79 86 A S T - G 0 172A 11 4,-1.9 3,-1.5 -2,-0.8 80,-0.3 -0.432 27.5-121.3 -77.8 152.4 58.7 5.0 42.3 93 100 A E T 3 S+ 0 0 121 78,-3.0 -1,-0.1 1,-0.3 79,-0.1 0.778 107.9 59.4 -64.3 -26.6 57.4 1.8 40.9 94 101 A D T 3 S- 0 0 47 77,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.344 124.2 -93.5 -87.2 9.6 55.3 3.6 38.3 95 102 A G S < S+ 0 0 43 -3,-1.5 29,-0.1 1,-0.3 -2,-0.1 0.241 78.9 141.7 101.1 -15.3 58.2 5.4 36.6 96 103 A A - 0 0 1 -5,-0.1 -4,-1.9 25,-0.1 2,-0.4 -0.344 36.0-153.5 -62.7 140.5 57.9 8.6 38.7 97 104 A V E +FH 91 122A 5 25,-3.2 25,-2.4 -6,-0.2 2,-0.4 -0.970 14.1 179.7-124.3 134.1 61.3 10.1 39.6 98 105 A C E -FH 90 121A 0 -8,-2.0 -8,-3.7 -2,-0.4 2,-0.4 -0.979 13.1-171.5-136.1 145.7 62.3 12.4 42.5 99 106 A I E -FH 89 120A 5 21,-2.5 21,-2.7 -2,-0.4 2,-0.4 -0.993 10.9-169.4-129.9 135.2 65.3 14.1 43.9 100 107 A C E -FH 88 119A 0 -12,-2.4 -12,-2.3 -2,-0.4 2,-0.5 -0.992 5.2-167.3-131.1 132.9 65.4 15.8 47.3 101 108 A N E -FH 87 118A 47 17,-2.3 17,-2.0 -2,-0.4 2,-0.4 -0.971 8.2-172.7-122.3 121.1 68.0 18.0 48.7 102 109 A V E -FH 86 117A 1 -16,-3.5 -16,-2.3 -2,-0.5 2,-0.5 -0.920 11.3-162.0-116.7 140.0 68.0 18.9 52.4 103 110 A D E -FH 85 116A 64 13,-1.7 13,-1.7 -2,-0.4 2,-0.6 -0.940 10.6-160.2-120.8 106.3 70.2 21.4 54.3 104 111 A I E +FH 84 115A 0 -20,-2.6 -20,-0.7 -2,-0.5 2,-0.3 -0.779 17.7 169.4 -92.8 117.7 70.4 21.0 58.0 105 112 A T E - 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