==== 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 03-MAY-06 2GW3 . COMPND 2 MOLECULE: KAEDE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRACHYPHYLLIA GEOFFROYI; . AUTHOR I.HAYASHI,H.MIZUNO,A.MIYAWAKI,M.IKURA . 436 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 207 47.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 6 1.4 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 2.8 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+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 . 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 0 3 1 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 0 A P 0 0 64 0, 0.0 2,-0.8 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 142.1 90.2 68.3 32.1 2 1 A M - 0 0 180 78,-0.1 78,-0.0 2,-0.0 0, 0.0 -0.906 360.0-123.1-104.9 104.5 87.5 68.6 29.5 3 2 A S - 0 0 46 -2,-0.8 77,-0.1 1,-0.1 76,-0.1 -0.190 29.3-174.5 -58.5 131.8 89.5 69.6 26.4 4 3 A L + 0 0 165 75,-0.2 -1,-0.1 78,-0.1 76,-0.1 0.218 40.4 134.5-105.3 10.8 88.7 72.9 24.6 5 4 A I - 0 0 13 74,-0.3 4,-0.1 1,-0.1 106,-0.1 -0.391 52.9-128.8 -60.9 137.9 91.2 72.1 21.8 6 5 A K - 0 0 102 2,-0.2 29,-0.2 1,-0.1 -1,-0.1 -0.458 15.3-111.3 -90.4 163.6 89.6 72.9 18.5 7 6 A P S S+ 0 0 88 0, 0.0 2,-0.4 0, 0.0 29,-0.2 0.717 110.4 42.5 -64.9 -21.5 89.3 70.7 15.3 8 7 A E S S+ 0 0 140 25,-0.2 2,-0.3 26,-0.1 25,-0.2 -0.995 74.1 166.9-128.4 125.2 91.6 73.2 13.6 9 8 A M E -A 32 0A 7 23,-2.3 23,-2.3 -2,-0.4 2,-0.2 -0.931 25.6-131.0-134.8 159.5 94.7 74.6 15.4 10 9 A K E -Ab 31 112A 113 101,-2.9 103,-2.8 -2,-0.3 2,-0.4 -0.699 16.6-149.2-107.5 163.9 97.8 76.5 14.4 11 10 A I E -Ab 30 113A 2 19,-2.6 19,-2.9 -2,-0.2 2,-0.4 -0.998 12.1-175.9-139.4 133.8 101.5 75.8 15.3 12 11 A K E +Ab 29 114A 85 101,-2.9 103,-1.8 -2,-0.4 2,-0.3 -0.988 17.3 178.9-125.5 137.3 104.5 78.0 15.8 13 12 A L E -Ab 28 115A 11 15,-2.5 15,-2.8 -2,-0.4 2,-0.4 -0.995 20.5-172.0-146.1 145.0 107.9 76.5 16.5 14 13 A L E -Ab 27 116A 68 101,-2.3 103,-2.9 -2,-0.3 2,-0.5 -0.982 11.3-170.0-136.2 122.1 111.5 77.4 17.1 15 14 A M E -Ab 26 117A 0 11,-3.1 11,-2.4 -2,-0.4 2,-0.5 -0.959 5.6-170.1-115.4 129.7 114.3 74.8 17.2 16 15 A E E +Ab 25 118A 101 101,-2.3 103,-1.9 -2,-0.5 2,-0.3 -0.976 26.3 165.5-113.5 127.8 117.9 75.5 18.3 17 16 A G E -Ab 24 119A 0 7,-2.9 7,-2.3 -2,-0.5 2,-0.3 -0.907 34.4-162.2-144.2 171.5 120.2 72.6 17.7 18 17 A N E -Ab 23 120A 50 101,-2.1 103,-2.5 -2,-0.3 2,-0.5 -0.871 12.7-178.6-154.5 116.1 123.7 71.3 17.4 19 18 A V E > S-Ab 22 121A 0 3,-2.0 3,-2.7 -2,-0.3 103,-0.2 -0.987 76.1 -20.5-123.0 122.3 124.6 68.0 15.6 20 19 A N T 3 S- 0 0 63 101,-2.9 102,-0.1 -2,-0.5 -1,-0.1 0.830 131.3 -48.1 49.3 37.8 128.2 66.8 15.6 21 20 A G T 3 S+ 0 0 62 100,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.280 109.6 125.3 91.1 -10.7 129.3 70.4 16.3 22 21 A H E < -A 19 0A 55 -3,-2.7 -3,-2.0 26,-0.0 2,-0.2 -0.740 48.1-152.4 -88.5 114.9 127.2 72.0 13.7 23 22 A Q E +A 18 0A 84 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.597 23.8 160.6 -86.1 143.9 124.9 74.7 15.2 24 23 A F E -A 17 0A 0 -7,-2.3 -7,-2.9 -2,-0.2 2,-0.4 -0.988 29.4-148.5-157.9 162.1 121.6 75.6 13.6 25 24 A V E -AC 16 47A 11 22,-2.0 21,-2.6 -2,-0.3 22,-1.7 -0.998 15.5-172.1-136.2 132.5 118.2 77.3 14.1 26 25 A I E -AC 15 45A 0 -11,-2.4 -11,-3.1 -2,-0.4 2,-0.4 -0.993 7.9-155.0-129.4 134.4 115.0 76.2 12.4 27 26 A E E -AC 14 44A 92 17,-2.7 17,-2.7 -2,-0.4 2,-0.4 -0.897 10.0-161.5-109.5 140.0 111.7 78.0 12.5 28 27 A G E -AC 13 43A 4 -15,-2.8 -15,-2.5 -2,-0.4 2,-0.4 -0.951 12.7-177.5-124.9 142.4 108.4 76.2 11.9 29 28 A D E +AC 12 42A 74 13,-2.2 13,-3.1 -2,-0.4 2,-0.2 -0.982 31.7 131.1-134.5 119.5 104.9 77.5 10.9 30 29 A G E -AC 11 41A 10 -19,-2.9 -19,-2.6 -2,-0.4 2,-0.3 -0.777 35.4-145.7-151.6-164.8 102.1 75.0 10.7 31 30 A K E +AC 10 40A 83 9,-2.4 9,-2.6 -21,-0.3 2,-0.3 -0.968 15.3 179.9-164.2 168.7 98.7 73.8 11.5 32 31 A G E -AC 9 39A 1 -23,-2.3 -23,-2.3 -2,-0.3 7,-0.3 -0.993 35.2-110.9-168.8 175.7 96.7 70.6 12.2 33 32 A H E >>> - C 0 38A 49 5,-3.1 5,-1.5 -2,-0.3 3,-1.4 -0.884 28.1-166.6-120.5 93.1 93.5 68.7 13.0 34 33 A P T 345S+ 0 0 0 0, 0.0 34,-0.7 0, 0.0 3,-0.5 0.857 85.8 47.9 -49.3 -44.9 94.0 67.4 16.5 35 34 A F T 345S+ 0 0 98 1,-0.2 32,-0.1 -29,-0.2 -27,-0.1 0.647 113.1 48.1 -77.6 -12.4 91.1 65.0 16.4 36 35 A E T <45S- 0 0 98 -3,-1.4 33,-0.4 -29,-0.2 -1,-0.2 0.542 107.3-126.7 -97.3 -12.3 92.1 63.6 13.0 37 36 A G T <5 + 0 0 0 -4,-1.2 176,-2.3 -3,-0.5 2,-0.4 0.832 66.8 126.0 69.7 34.0 95.7 63.1 14.2 38 37 A K E < +CD 33 212A 71 -5,-1.5 -5,-3.1 174,-0.2 2,-0.3 -0.965 27.2 159.3-128.8 141.2 97.1 65.1 11.2 39 38 A Q E -CD 32 211A 13 172,-1.9 172,-2.2 -2,-0.4 2,-0.3 -0.987 15.2-164.7-153.7 157.8 99.4 68.1 11.0 40 39 A S E -CD 31 210A 24 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.3 -0.979 8.3-169.4-143.4 155.6 101.7 69.8 8.5 41 40 A M E -CD 30 209A 5 168,-2.3 168,-2.8 -2,-0.3 2,-0.6 -1.000 22.2-136.2-151.0 145.9 104.4 72.4 8.9 42 41 A D E -CD 29 208A 69 -13,-3.1 -13,-2.2 -2,-0.3 2,-0.4 -0.920 30.0-163.5-100.1 121.8 106.6 74.7 6.8 43 42 A L E -CD 28 207A 1 164,-3.1 164,-2.3 -2,-0.6 2,-0.4 -0.908 8.6-173.3-113.4 134.0 110.2 74.6 8.1 44 43 A V E -CD 27 206A 55 -17,-2.7 -17,-2.7 -2,-0.4 2,-0.6 -0.988 23.8-132.4-128.9 128.3 112.9 77.2 7.4 45 44 A V E +C 26 0A 13 160,-2.3 -19,-0.3 -2,-0.4 3,-0.1 -0.677 27.5 175.1 -77.6 116.6 116.6 77.0 8.3 46 45 A K E + 0 0 121 -21,-2.6 2,-0.3 -2,-0.6 -20,-0.2 0.706 66.3 18.1 -95.1 -26.7 117.4 80.4 9.8 47 46 A E E S+C 25 0A 104 -22,-1.7 -22,-2.0 1,-0.1 -1,-0.3 -0.993 115.4 32.7-145.7 142.9 121.0 79.8 10.9 48 47 A G S S- 0 0 24 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.609 82.3-164.9 89.8 12.2 123.5 77.1 10.0 49 48 A A + 0 0 53 1,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.568 63.3 39.2 -80.1 142.6 122.4 76.6 6.4 50 49 A P S S- 0 0 70 0, 0.0 -1,-0.1 0, 0.0 154,-0.1 0.556 87.7-138.7 -87.7 142.8 123.1 74.4 4.6 51 50 A L - 0 0 8 152,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.396 2.9-149.8 -64.5 136.0 122.8 71.6 7.1 52 51 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.212 72.7 59.4 -92.4 16.3 125.6 69.0 6.8 53 52 A F S S- 0 0 3 79,-0.1 2,-0.2 80,-0.1 78,-0.2 -0.909 100.8 -68.0-139.3 166.8 123.6 66.1 8.1 54 53 A A > - 0 0 3 76,-2.0 3,-1.6 -2,-0.3 4,-0.3 -0.361 34.2-149.6 -59.7 117.8 120.4 64.2 7.3 55 54 A Y G >> S+ 0 0 7 1,-0.3 3,-2.2 -2,-0.2 4,-0.7 0.838 89.2 75.1 -57.2 -34.6 117.4 66.4 7.9 56 55 A D G >4 S+ 0 0 9 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.780 80.7 68.2 -52.4 -30.6 115.3 63.3 8.7 57 56 A I G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.815 104.2 45.4 -63.5 -21.5 117.0 63.0 12.1 58 57 A L G X> S+ 0 0 0 -3,-2.2 3,-2.0 -4,-0.3 4,-0.6 0.689 87.0 89.3 -89.4 -21.9 115.2 66.2 13.2 59 58 A T G X< S+ 0 0 2 -4,-0.7 3,-1.2 -3,-0.6 -1,-0.1 0.775 80.4 54.8 -57.7 -36.6 111.7 65.6 11.9 60 59 A T G 34 S+ 0 0 25 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.664 100.3 64.1 -72.0 -11.6 110.0 63.9 14.9 61 60 A A G <4 0 0 0 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.756 360.0 360.0 -78.7 -20.0 111.2 66.9 17.0 62 61 A F << 0 0 12 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.1 0.863 360.0 360.0 -87.6 360.0 108.9 69.0 14.8 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 65 A N > 0 0 6 0, 0.0 3,-2.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 98.8 103.3 67.1 19.6 65 66 A R T 3 + 0 0 11 1,-0.3 13,-0.2 2,-0.0 14,-0.2 0.439 360.0 86.8 -64.1 -1.1 101.2 64.1 20.5 66 67 A V T 3 S+ 0 0 0 1,-0.3 2,-1.8 12,-0.2 -1,-0.3 0.850 79.9 70.4 -62.6 -32.9 98.1 66.4 20.7 67 68 A F S < S+ 0 0 0 -3,-2.3 2,-0.3 -30,-0.1 -1,-0.3 -0.532 78.5 99.5 -86.9 72.7 98.0 65.6 17.0 68 69 A A S S- 0 0 0 -2,-1.8 2,-0.9 -34,-0.7 -31,-0.3 -0.948 77.9-115.5-154.5 134.3 97.0 62.0 17.3 69 70 A K B -e 214 0A 116 144,-2.5 146,-2.6 -33,-0.4 -34,-0.1 -0.647 35.4-167.3 -78.2 106.4 93.5 60.5 16.9 70 71 A Y - 0 0 24 -2,-0.9 6,-0.1 144,-0.2 146,-0.1 -0.829 14.1-135.0 -98.1 129.5 92.6 59.1 20.4 71 72 A P > - 0 0 39 0, 0.0 3,-1.7 0, 0.0 145,-0.0 -0.412 29.1-107.1 -76.4 160.3 89.6 56.8 20.7 72 73 A D T 3 S+ 0 0 173 1,-0.3 4,-0.1 -2,-0.1 -2,-0.0 0.765 113.8 62.4 -59.6 -27.8 87.2 57.5 23.6 73 74 A H T 3 S+ 0 0 130 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.514 94.8 67.3 -80.6 -2.6 88.3 54.4 25.6 74 75 A I S < S- 0 0 12 -3,-1.7 -1,-0.1 112,-0.1 141,-0.1 -0.961 89.5-120.2-119.2 118.7 91.9 55.6 26.0 75 76 A P - 0 0 28 0, 0.0 2,-0.9 0, 0.0 3,-0.1 -0.317 23.0-135.4 -55.6 137.4 92.5 58.7 28.1 76 77 A D > - 0 0 23 1,-0.2 4,-1.4 -6,-0.1 5,-0.1 -0.824 20.3-173.8-100.5 95.9 94.2 61.4 26.0 77 78 A Y T 4 S+ 0 0 22 -2,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.842 81.3 49.8 -58.1 -34.4 97.0 62.7 28.1 78 79 A F T >4 S+ 0 0 0 2,-0.2 3,-1.0 1,-0.2 -1,-0.2 0.926 107.5 46.0 -77.1 -48.5 97.8 65.4 25.6 79 80 A K T 34 S+ 0 0 9 1,-0.3 3,-0.4 -14,-0.2 -74,-0.3 0.768 112.2 55.9 -69.6 -19.1 94.4 67.0 24.8 80 81 A Q T 3< S+ 0 0 22 -4,-1.4 2,-0.3 1,-0.2 -1,-0.3 0.665 87.7 83.7 -80.8 -17.2 93.9 67.1 28.6 81 82 A S S <> S+ 0 0 0 -3,-1.0 4,-2.0 -4,-0.4 98,-0.3 0.065 76.1 141.7 -79.4 28.2 97.1 69.0 29.1 82 83 A F T 4 + 0 0 18 -3,-0.4 -78,-0.1 -2,-0.3 -77,-0.1 -0.918 46.1 15.3-131.8 160.4 95.7 72.5 28.4 83 84 A P T 4 S+ 0 0 100 0, 0.0 25,-0.5 0, 0.0 -1,-0.2 -0.984 131.0 43.9 -69.6 -16.5 95.6 75.4 29.0 84 85 A K T 4 S- 0 0 112 1,-0.2 -2,-0.2 23,-0.1 2,-0.1 0.793 98.9-149.7 -65.2 -30.6 98.8 75.0 30.9 85 86 A G < - 0 0 0 -4,-2.0 94,-2.7 22,-0.1 95,-0.5 -0.340 1.7-109.9 94.2-175.7 100.6 72.7 28.4 86 87 A F E -FG 106 178A 0 20,-1.2 20,-2.6 92,-0.3 2,-0.3 -0.957 14.0-143.8-152.7 167.3 103.1 70.0 28.6 87 88 A S E -FG 105 177A 28 90,-2.3 90,-3.0 -2,-0.3 2,-0.3 -0.892 10.6-158.8-132.1 163.6 106.7 69.2 27.7 88 89 A W E -FG 104 176A 3 16,-2.3 16,-2.1 -2,-0.3 2,-0.4 -0.983 5.4-158.0-143.8 156.8 108.5 66.2 26.5 89 90 A E E -FG 103 175A 89 86,-2.1 86,-2.8 -2,-0.3 2,-0.4 -0.976 15.6-170.4-130.8 144.3 112.1 64.8 26.4 90 91 A R E -FG 102 174A 10 12,-2.5 12,-2.1 -2,-0.4 2,-0.4 -0.999 16.8-156.7-144.4 139.9 113.4 62.2 24.0 91 92 A S E -FG 101 173A 32 82,-2.3 82,-1.8 -2,-0.4 2,-0.5 -0.930 9.8-164.0-110.7 137.9 116.5 60.1 23.5 92 93 A L E -FG 100 172A 0 8,-2.6 8,-2.5 -2,-0.4 2,-0.7 -0.974 6.3-170.4-121.6 110.3 117.3 58.9 20.0 93 94 A M E -FG 99 171A 106 78,-2.6 78,-2.4 -2,-0.5 6,-0.2 -0.895 7.9-157.5-109.6 107.7 119.8 56.0 20.0 94 95 A F E > - G 0 170A 10 4,-2.8 3,-2.0 -2,-0.7 76,-0.2 -0.544 24.0-119.7 -84.9 149.4 121.1 55.1 16.6 95 96 A E T 3 S+ 0 0 86 74,-2.6 75,-0.1 1,-0.3 -1,-0.1 0.662 109.7 54.5 -64.8 -16.8 122.5 51.7 15.9 96 97 A D T 3 S- 0 0 53 73,-0.2 -1,-0.3 2,-0.1 32,-0.0 0.226 128.4 -87.8-100.1 14.8 125.9 53.1 14.8 97 98 A G S < S+ 0 0 38 -3,-2.0 -2,-0.1 1,-0.4 27,-0.1 0.219 80.5 139.4 105.2 -16.4 126.5 55.0 18.0 98 99 A G - 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