==== 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 LUMINESCENT PROTEIN 25-AUG-04 1XA9 . COMPND 2 MOLECULE: FLUORESCENT PROTEIN FP538; . SOURCE 2 ORGANISM_SCIENTIFIC: ZOANTHUS SP.; . AUTHOR S.J.REMINGTON,R.M.WACHTER,D.K.YARBROUGH,B.BRANCHAUD,D.C.ANDE . 224 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10954.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 46.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 . 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 2 0 1 1 2 1 3 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 1 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 4 A S 0 0 147 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 45.3 33.1 75.5 -8.2 2 5 A K - 0 0 107 4,-0.1 4,-0.2 1,-0.0 0, 0.0 -0.719 360.0-149.4 175.5 140.0 32.3 74.4 -4.5 3 6 A H S S- 0 0 92 2,-0.6 79,-0.1 -2,-0.2 3,-0.1 0.106 99.8 -67.3 -86.9 10.8 29.8 73.3 -1.8 4 7 A G S S+ 0 0 11 1,-0.5 2,-0.2 79,-0.1 109,-0.1 -0.168 128.8 80.4 120.8 -20.4 32.4 75.1 0.4 5 8 A L - 0 0 1 77,-0.1 -2,-0.6 74,-0.1 -1,-0.5 -0.675 67.0-146.0-111.3 163.8 34.7 72.3 -0.6 6 9 A K - 0 0 80 -2,-0.2 29,-0.3 -4,-0.2 3,-0.2 -0.767 38.2-100.2-121.8 168.1 36.8 71.4 -3.6 7 10 A E S S+ 0 0 162 -2,-0.3 2,-0.4 1,-0.2 29,-0.2 0.800 116.1 30.9 -60.0 -23.2 37.7 68.1 -5.2 8 11 A E S S+ 0 0 102 25,-0.1 -1,-0.2 26,-0.1 25,-0.2 -0.928 77.1 157.6-139.7 115.5 41.0 68.4 -3.3 9 12 A M E -A 32 0A 1 23,-2.5 23,-1.8 -2,-0.4 2,-0.3 -0.621 32.4-120.9-123.5-173.9 41.6 70.2 -0.0 10 13 A T E -Ab 31 114A 57 103,-2.1 105,-2.9 21,-0.2 2,-0.3 -0.930 22.5-155.8-127.1 150.9 43.9 70.3 2.9 11 14 A M E -Ab 30 115A 0 19,-1.6 19,-1.5 -2,-0.3 2,-0.3 -0.981 3.6-152.9-133.8 146.4 43.0 69.7 6.6 12 15 A K E -Ab 29 116A 75 103,-2.4 105,-1.4 -2,-0.3 2,-0.4 -0.900 11.2-161.5-115.6 144.9 44.5 70.8 9.9 13 16 A Y E +Ab 28 117A 10 15,-2.3 15,-2.0 -2,-0.3 2,-0.4 -0.982 15.0 174.8-133.4 134.0 44.3 68.9 13.2 14 17 A H E -Ab 27 118A 63 103,-1.8 105,-1.7 -2,-0.4 2,-0.4 -0.855 13.8-179.9-138.2 101.3 44.8 69.9 16.8 15 18 A M E -Ab 26 119A 0 11,-2.4 11,-3.3 -2,-0.4 2,-0.4 -0.872 10.7-173.8-109.0 137.9 44.1 67.2 19.5 16 19 A E E +Ab 25 120A 94 103,-1.6 105,-2.2 -2,-0.4 2,-0.3 -0.988 25.3 155.0-123.7 129.2 44.3 67.6 23.2 17 20 A G E -Ab 24 121A 8 7,-2.6 7,-1.8 -2,-0.4 2,-0.3 -0.876 37.8-148.2-148.6-178.7 43.8 64.5 25.3 18 21 A C E -Ab 23 122A 25 103,-1.9 105,-2.5 -2,-0.3 2,-0.5 -0.826 16.7-177.7-158.7 110.0 44.3 62.4 28.4 19 22 A V E > S-Ab 22 123A 1 3,-2.5 3,-3.4 -2,-0.3 105,-0.2 -0.965 76.8 -14.7-116.5 127.6 44.4 58.6 28.3 20 23 A N T 3 S- 0 0 59 103,-2.1 -1,-0.2 -2,-0.5 104,-0.2 0.906 132.2 -52.1 44.8 46.8 44.8 56.7 31.5 21 24 A G T 3 S+ 0 0 60 102,-0.6 2,-0.7 1,-0.2 -1,-0.3 0.331 111.0 126.9 76.8 -7.1 45.7 60.0 33.1 22 25 A H E < -A 19 0A 54 -3,-3.4 -3,-2.5 2,-0.0 -1,-0.2 -0.764 48.0-151.1 -90.5 115.8 48.4 60.7 30.6 23 26 A K E +A 18 0A 154 -2,-0.7 2,-0.3 -5,-0.3 -5,-0.3 -0.454 23.3 161.1 -80.1 153.0 48.0 64.1 28.9 24 27 A F E -A 17 0A 4 -7,-1.8 -7,-2.6 -2,-0.1 2,-0.4 -0.986 28.1-142.5-166.9 158.1 49.1 64.9 25.4 25 28 A V E -AC 16 47A 8 22,-2.9 22,-1.8 -2,-0.3 21,-0.6 -0.962 18.6-170.6-127.9 145.1 48.8 67.3 22.4 26 29 A I E -AC 15 45A 0 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.4 -0.994 8.3-167.7-140.1 145.0 48.8 66.5 18.7 27 30 A T E +AC 14 44A 53 17,-2.1 17,-1.7 -2,-0.4 2,-0.3 -0.983 14.9 175.9-132.2 141.0 48.9 68.3 15.5 28 31 A G E -AC 13 43A 5 -15,-2.0 -15,-2.3 -2,-0.4 2,-0.3 -0.936 14.1-168.6-143.5 167.0 48.3 67.0 12.0 29 32 A E E +AC 12 42A 121 13,-1.6 13,-2.8 -2,-0.3 2,-0.3 -0.989 17.8 144.2-152.3 153.1 48.0 67.8 8.4 30 33 A G E -AC 11 41A 9 -19,-1.5 -19,-1.6 -2,-0.3 2,-0.3 -0.963 36.1-112.1-170.0-175.1 46.8 66.2 5.2 31 34 A I E +AC 10 40A 73 9,-1.6 9,-1.9 -2,-0.3 2,-0.3 -0.971 34.9 179.5-137.6 146.4 45.1 66.4 1.9 32 35 A G E -AC 9 39A 0 -23,-1.8 -23,-2.5 -2,-0.3 7,-0.2 -0.979 35.6-134.5-152.0 167.9 41.8 64.9 0.9 33 36 A Y E >>> - C 0 38A 72 5,-3.3 4,-2.4 -2,-0.3 3,-1.9 -0.754 20.3-177.2-125.0 76.7 39.0 64.2 -1.6 34 37 A P T 345S+ 0 0 0 0, 0.0 34,-0.8 0, 0.0 -1,-0.1 0.835 86.9 49.6 -41.4 -44.9 35.7 64.8 0.1 35 38 A F T 345S+ 0 0 89 -29,-0.3 35,-0.2 1,-0.2 -28,-0.1 0.760 114.5 43.4 -72.4 -24.4 33.9 63.8 -2.9 36 39 A K T <45S- 0 0 137 -3,-1.9 33,-0.4 -29,-0.2 -1,-0.2 0.635 107.8-123.6 -93.8 -16.4 35.9 60.6 -3.3 37 40 A G T <5 + 0 0 0 -4,-2.4 181,-2.3 31,-0.4 2,-0.4 0.853 68.1 129.8 76.1 35.5 35.7 59.8 0.3 38 41 A K E < +CD 33 217A 99 -5,-1.4 -5,-3.3 179,-0.2 2,-0.3 -0.968 27.2 163.6-128.6 141.3 39.5 59.6 0.6 39 42 A Q E -CD 32 216A 10 177,-2.1 177,-2.4 -2,-0.4 2,-0.4 -0.993 19.8-162.1-155.8 151.2 42.0 61.3 3.0 40 43 A T E -CD 31 215A 47 -9,-1.9 -9,-1.6 -2,-0.3 2,-0.3 -0.980 17.3-176.8-139.4 117.0 45.6 61.1 4.2 41 44 A I E -CD 30 214A 4 173,-2.5 173,-2.6 -2,-0.4 2,-0.5 -0.858 17.8-148.5-116.3 153.8 46.8 62.7 7.4 42 45 A N E -CD 29 213A 71 -13,-2.8 -13,-1.6 -2,-0.3 2,-0.3 -0.985 18.6-161.5-123.3 114.2 50.1 63.1 9.1 43 46 A L E -CD 28 212A 2 169,-3.5 169,-2.6 -2,-0.5 2,-0.3 -0.747 8.0-173.8 -99.4 150.6 50.1 63.2 12.9 44 47 A C E -CD 27 211A 35 -17,-1.7 -17,-2.1 -2,-0.3 2,-1.2 -0.990 26.3-127.6-143.3 127.1 52.8 64.4 15.2 45 48 A V E +C 26 0A 9 165,-2.6 165,-0.3 -2,-0.3 4,-0.3 -0.606 30.6 171.6 -82.0 94.6 53.0 64.3 19.0 46 49 A I E + 0 0 83 -2,-1.2 2,-0.3 -21,-0.6 -20,-0.2 0.695 69.7 22.1 -70.8 -28.2 53.7 67.9 20.1 47 50 A E E S+C 25 0A 116 -22,-1.8 -22,-2.9 1,-0.1 -1,-0.2 -0.926 120.8 17.8-151.8 126.1 53.1 67.2 23.8 48 51 A G S S- 0 0 31 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.566 86.3-173.0 94.9 13.8 53.3 64.0 25.9 49 52 A G + 0 0 42 -4,-0.3 -1,-0.3 1,-0.1 2,-0.1 -0.601 57.9 48.6 -92.3 154.9 55.2 61.8 23.5 50 53 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.433 88.4-139.4 -74.6 140.6 56.0 59.1 23.3 51 54 A L - 0 0 2 1,-0.1 -2,-0.1 -2,-0.1 4,-0.1 -0.372 1.7-143.4 -65.9 145.5 52.5 58.1 24.0 52 55 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 83,-0.2 0.451 79.1 61.4 -86.1 -4.8 52.2 55.0 26.3 53 56 A F S S- 0 0 1 1,-0.1 80,-0.2 81,-0.1 79,-0.1 -0.838 99.6 -75.3-121.5 161.8 49.2 53.7 24.5 54 57 A S > - 0 0 3 78,-2.0 3,-0.6 -2,-0.3 4,-0.3 -0.127 28.4-138.9 -52.9 140.0 48.4 52.5 21.0 55 58 A E G >> S+ 0 0 14 1,-0.2 3,-1.6 82,-0.2 4,-0.7 0.790 95.5 80.3 -70.9 -22.7 48.1 55.2 18.4 56 59 A D G >4 S+ 0 0 1 1,-0.3 3,-0.9 2,-0.2 4,-0.4 0.819 79.1 61.7 -52.3 -41.0 45.2 53.1 17.1 57 60 A I G <4 S+ 0 0 1 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.758 104.5 50.1 -61.7 -23.7 42.7 54.3 19.7 58 61 A L G X> S+ 0 0 0 -3,-1.6 3,-1.5 -4,-0.3 4,-1.3 0.647 84.5 92.1 -87.5 -22.1 43.0 57.9 18.4 59 62 A S G X< S+ 0 0 3 -3,-0.9 3,-1.2 -4,-0.7 -1,-0.1 0.858 89.7 40.7 -39.1 -62.5 42.5 57.0 14.7 60 63 A A G 34 S+ 0 0 16 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.594 107.2 67.3 -65.3 -13.1 38.7 57.5 14.5 61 64 A G G <4 0 0 4 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.846 360.0 360.0 -72.6 -35.6 39.3 60.5 16.7 62 65 A F << 0 0 20 -4,-1.3 -2,-0.3 -3,-1.2 -3,-0.2 0.696 360.0 360.0 -96.4 360.0 41.1 62.0 13.6 63 ! 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 64 69 A D > 0 0 11 0, 0.0 3,-2.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 96.5 35.5 63.7 9.6 65 70 A R T 3 + 0 0 9 1,-0.3 14,-0.2 13,-0.0 13,-0.1 0.612 360.0 85.8 -58.6 -12.4 32.5 62.4 7.7 66 71 A I T 3 S+ 0 0 0 1,-0.3 2,-1.3 12,-0.2 -1,-0.3 0.750 76.5 74.4 -64.1 -14.0 32.9 65.0 5.1 67 72 A F S < S+ 0 0 0 -3,-2.1 2,-0.3 -30,-0.1 -1,-0.3 -0.608 76.0 109.0 -96.5 68.5 35.3 62.5 3.5 68 73 A T - 0 0 0 -2,-1.3 2,-0.7 -34,-0.8 -31,-0.4 -0.988 69.3-126.7-146.2 136.1 32.7 60.2 2.3 69 74 A E B -e 219 0A 87 149,-1.9 151,-2.6 -33,-0.4 -34,-0.1 -0.785 31.9-163.7 -86.2 116.3 31.5 59.5 -1.1 70 75 A Y - 0 0 24 -2,-0.7 6,-0.1 -35,-0.2 151,-0.1 -0.889 14.5-128.7-109.1 134.3 27.8 60.0 -1.2 71 76 A P > - 0 0 34 0, 0.0 3,-0.9 0, 0.0 150,-0.0 -0.295 25.5-115.8 -66.4 158.5 25.5 58.8 -3.8 72 77 A Q T 3 S+ 0 0 190 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.948 114.6 57.2 -61.5 -49.1 23.1 61.3 -5.4 73 78 A D T 3 S+ 0 0 130 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.671 99.4 72.2 -58.4 -17.0 20.1 59.5 -4.1 74 79 A I S < S- 0 0 19 -3,-0.9 2,-0.1 146,-0.1 -1,-0.1 -0.906 85.4-121.8-110.5 127.9 21.4 59.9 -0.5 75 80 A V - 0 0 41 -2,-0.5 2,-0.9 114,-0.1 -2,-0.1 -0.348 18.7-140.2 -65.1 136.8 21.4 63.1 1.3 76 81 A D > + 0 0 22 1,-0.2 4,-2.2 -4,-0.1 5,-0.1 -0.767 21.0 178.9-105.4 89.5 24.8 64.3 2.5 77 82 A Y T 4 S+ 0 0 6 -2,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.817 79.0 50.2 -54.5 -41.8 24.4 65.8 5.9 78 83 A F T >4 S+ 0 0 0 2,-0.2 3,-1.2 1,-0.2 4,-0.2 0.935 111.7 43.9 -68.5 -52.3 28.1 66.5 6.4 79 84 A K G >4 S+ 0 0 5 1,-0.3 3,-2.0 2,-0.2 -2,-0.2 0.885 108.0 60.1 -61.9 -41.5 28.7 68.3 3.1 80 85 A N G 3< S+ 0 0 67 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.527 100.0 59.5 -64.5 -6.6 25.5 70.4 3.5 81 86 A S G <> S+ 0 0 11 -3,-1.2 4,-2.8 -5,-0.1 -1,-0.3 0.454 93.0 146.7 -99.5 -5.5 26.9 71.7 6.7 82 87 A C T <4 + 0 0 15 -3,-2.0 -77,-0.1 1,-0.3 25,-0.0 -0.537 53.6 10.5 -87.7 155.4 29.9 73.2 5.0 83 88 A P T 4 S+ 0 0 53 0, 0.0 25,-2.1 0, 0.0 -1,-0.3 -0.997 127.5 55.0 -87.9 1.3 31.7 75.3 5.2 84 89 A A T 4 S- 0 0 62 1,-0.2 -2,-0.3 23,-0.2 2,-0.2 0.881 96.4-163.0 -54.0 -35.0 30.2 76.2 8.5 85 90 A G < - 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