==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN 12-JUL-07 2QLH . COMPND 2 MOLECULE: FLUORESCENT PROTEIN PLUM; . SOURCE 2 ORGANISM_SCIENTIFIC: DISCOSOMA SP. LW-2004; . AUTHOR X.SHU,S.J.REMINGTON . 430 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19386.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 47.0 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 . 34 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.0 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 3 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 1 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 . 0 2 0 0 4 0 2 2 4 4 4 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 E 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 2.9 12.2 57.1 2 7 A V + 0 0 55 78,-0.1 2,-0.8 1,-0.1 107,-0.0 0.817 360.0 68.9 -72.6 -29.6 3.2 11.1 53.4 3 8 A I S S- 0 0 10 77,-0.1 2,-0.1 74,-0.1 -1,-0.1 -0.821 76.7-160.9 -96.0 109.7 5.6 14.0 52.6 4 9 A K - 0 0 100 -2,-0.8 29,-0.2 2,-0.2 -2,-0.1 -0.443 34.2-104.2 -83.5 165.9 8.9 13.4 54.3 5 10 A E S S+ 0 0 138 -2,-0.1 2,-0.4 26,-0.1 29,-0.2 0.736 115.6 41.2 -61.9 -22.2 11.6 16.0 55.0 6 11 A F S S+ 0 0 96 25,-0.2 2,-0.4 26,-0.1 -2,-0.2 -0.996 77.0 170.3-126.5 128.1 13.6 14.4 52.1 7 12 A M E -A 30 0A 3 23,-2.9 23,-1.8 -2,-0.4 2,-0.2 -0.998 18.5-154.5-142.6 140.7 11.7 13.4 49.0 8 13 A R E -Ab 29 110A 88 101,-0.6 103,-2.4 -2,-0.4 2,-0.3 -0.606 11.7-163.8-104.1 166.8 12.7 12.2 45.5 9 14 A F E -Ab 28 111A 1 19,-1.9 19,-2.3 101,-0.2 2,-0.4 -0.979 10.2-152.2-147.0 157.0 10.7 12.6 42.3 10 15 A K E -Ab 27 112A 74 101,-2.3 103,-2.4 -2,-0.3 2,-0.4 -0.986 21.0-167.1-129.4 141.6 10.8 11.1 38.8 11 16 A E E -Ab 26 113A 8 15,-3.1 15,-2.3 -2,-0.4 2,-0.4 -0.989 17.7-166.5-140.0 145.9 9.5 12.9 35.8 12 17 A H E -Ab 25 114A 55 101,-2.3 103,-2.8 -2,-0.4 2,-0.4 -0.991 11.4-174.5-125.7 131.9 8.6 12.4 32.3 13 18 A M E +Ab 24 115A 0 11,-3.0 11,-2.9 -2,-0.4 2,-0.3 -0.986 6.4 170.3-128.0 135.2 8.0 15.2 29.8 14 19 A E E +Ab 23 116A 61 101,-2.2 103,-2.5 -2,-0.4 2,-0.3 -0.958 24.0 96.0-136.8 155.2 6.8 15.0 26.2 15 20 A G E -Ab 22 117A 0 7,-1.8 7,-2.4 -2,-0.3 2,-0.3 -0.995 52.2-100.5 162.3-158.4 5.7 17.7 23.7 16 21 A S E -Ab 21 118A 17 101,-1.7 103,-3.0 -2,-0.3 2,-0.4 -0.980 10.1-154.2-160.5 151.4 6.9 19.8 20.9 17 22 A V E > S-Ab 20 119A 0 3,-1.8 3,-1.8 -2,-0.3 103,-0.2 -0.982 84.4 -14.2-132.7 118.3 8.0 23.3 20.2 18 23 A N T 3 S- 0 0 60 101,-2.7 102,-0.1 -2,-0.4 -1,-0.1 0.933 133.3 -48.1 55.2 44.5 7.5 24.8 16.7 19 24 A G T 3 S+ 0 0 71 100,-0.5 2,-0.8 1,-0.2 -1,-0.3 0.280 110.1 124.7 82.4 -12.1 6.9 21.3 15.3 20 25 A H E < -A 17 0A 59 -3,-1.8 -3,-1.8 30,-0.0 -1,-0.2 -0.727 47.5-155.2 -88.7 112.3 9.8 19.7 17.0 21 26 A E E +A 16 0A 114 -2,-0.8 2,-0.3 -5,-0.2 -5,-0.3 -0.491 23.1 155.6 -81.6 151.5 8.8 16.7 19.1 22 27 A F E -A 15 0A 2 -7,-2.4 -7,-1.8 -2,-0.2 2,-0.3 -0.981 28.5-143.1-163.6 172.3 10.8 15.5 22.0 23 28 A E E -AC 14 45A 73 22,-2.4 21,-2.7 -2,-0.3 22,-1.3 -0.996 11.8-170.3-145.3 145.6 10.8 13.6 25.3 24 29 A I E -AC 13 43A 1 -11,-2.9 -11,-3.0 -2,-0.3 2,-0.4 -0.984 4.3-162.9-138.2 144.5 12.7 14.1 28.5 25 30 A E E +AC 12 42A 101 17,-2.4 17,-2.2 -2,-0.4 2,-0.3 -0.944 15.8 176.7-123.8 151.7 13.2 12.0 31.6 26 31 A G E -AC 11 41A 11 -15,-2.3 -15,-3.1 -2,-0.4 2,-0.3 -0.993 21.3-162.0-152.6 158.0 14.4 13.2 35.0 27 32 A E E +AC 10 40A 60 13,-1.7 13,-3.6 -2,-0.3 2,-0.3 -0.986 25.2 163.1-137.7 139.0 15.0 12.2 38.5 28 33 A G E -AC 9 39A 0 -19,-2.3 -19,-1.9 -2,-0.3 2,-0.3 -0.870 20.0-152.2-147.5 179.1 15.5 14.7 41.4 29 34 A E E +AC 8 38A 59 9,-2.4 9,-2.6 -2,-0.3 2,-0.3 -0.986 20.9 146.4-154.8 159.0 15.5 15.2 45.1 30 35 A G E -AC 7 37A 6 -23,-1.8 -23,-2.9 -2,-0.3 7,-0.2 -0.982 48.3 -92.2-176.6-177.4 14.7 17.8 47.6 31 36 A R E >>> - C 0 36A 150 5,-2.0 5,-1.4 -2,-0.3 4,-1.2 -0.955 30.6-163.9-120.3 98.5 13.5 19.0 51.0 32 37 A P T 345S+ 0 0 0 0, 0.0 34,-0.4 0, 0.0 3,-0.2 0.832 88.8 48.5 -56.1 -36.6 9.8 19.9 50.6 33 38 A Y T 345S+ 0 0 87 1,-0.2 35,-0.2 -28,-0.2 -28,-0.1 0.699 111.9 50.2 -80.2 -17.2 9.6 21.9 53.8 34 39 A E T <45S- 0 0 82 -3,-1.0 33,-0.2 -29,-0.2 -1,-0.2 0.592 105.6-127.0 -93.7 -12.9 12.7 23.8 52.9 35 40 A G T <5 + 0 0 0 -4,-1.2 175,-2.0 1,-0.3 2,-0.3 0.636 68.5 118.5 76.8 19.3 11.5 24.7 49.4 36 41 A T E < +CD 31 209A 22 -5,-1.4 -5,-2.0 173,-0.2 2,-0.3 -0.865 28.5 149.4-121.6 151.7 14.7 23.4 47.7 37 42 A Q E -CD 30 208A 14 171,-1.3 171,-2.0 -2,-0.3 2,-0.3 -0.975 22.5-154.3-167.4 161.2 15.3 20.6 45.1 38 43 A T E -CD 29 207A 45 -9,-2.6 -9,-2.4 -2,-0.3 2,-0.3 -0.929 12.5-165.0-137.1 162.0 17.6 19.6 42.3 39 44 A A E -CD 28 206A 5 167,-1.7 167,-1.7 -2,-0.3 2,-0.6 -0.996 19.1-138.4-149.5 149.3 17.1 17.3 39.3 40 45 A R E -CD 27 205A 56 -13,-3.6 -13,-1.7 -2,-0.3 2,-0.3 -0.960 32.2-172.3-107.5 117.6 19.1 15.4 36.7 41 46 A L E -CD 26 204A 2 163,-3.4 163,-2.1 -2,-0.6 2,-0.3 -0.797 9.9-178.4-110.6 153.4 17.4 15.8 33.3 42 47 A K E -CD 25 203A 115 -17,-2.2 -17,-2.4 -2,-0.3 2,-0.5 -0.985 29.7-121.7-151.8 139.9 18.1 14.1 29.9 43 48 A V E +C 24 0A 20 159,-2.8 -19,-0.3 -2,-0.3 3,-0.1 -0.701 29.4 177.6 -80.1 121.0 16.6 14.3 26.4 44 49 A T E + 0 0 61 -21,-2.7 2,-0.3 -2,-0.5 -20,-0.2 0.554 67.0 15.8-104.4 -11.6 15.4 10.8 25.5 45 50 A K E S+C 23 0A 45 -22,-1.3 -22,-2.4 0, 0.0 -1,-0.3 -0.937 121.0 28.5-156.9 131.7 13.9 11.5 22.1 46 51 A G S S- 0 0 31 -2,-0.3 -22,-0.0 1,-0.3 -2,-0.0 0.380 87.2-170.6 96.7 -5.2 14.3 14.5 19.8 47 52 A G + 0 0 43 1,-0.1 -1,-0.3 -24,-0.1 2,-0.1 -0.443 58.3 41.2 -75.4 145.2 17.7 15.5 21.0 48 53 A P S S- 0 0 69 0, 0.0 -1,-0.1 0, 0.0 153,-0.1 0.494 84.9-143.6 -88.1 149.8 19.3 17.7 20.5 49 54 A L - 0 0 7 151,-0.4 4,-0.1 152,-0.2 -2,-0.1 -0.424 5.0-143.4 -72.2 140.9 16.5 20.3 20.8 50 55 A P S S+ 0 0 54 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.103 76.9 63.6 -92.0 23.4 16.7 23.2 18.4 51 56 A F S S- 0 0 1 79,-0.1 78,-0.2 80,-0.1 77,-0.1 -0.955 98.4 -67.4-144.2 161.5 15.3 25.7 20.9 52 57 A A > - 0 0 3 76,-1.5 3,-1.6 -2,-0.3 4,-0.5 -0.204 29.7-145.7 -52.1 124.7 16.3 27.2 24.4 53 58 A W G >> S+ 0 0 10 1,-0.3 3,-1.9 2,-0.2 4,-1.6 0.843 92.0 80.4 -60.3 -28.7 16.3 24.7 27.2 54 59 A D G 34 S+ 0 0 10 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.742 82.7 58.0 -50.9 -29.1 15.1 27.7 29.3 55 60 A I G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.805 109.4 44.5 -77.2 -22.9 11.6 27.4 28.1 56 61 A L T X> S+ 0 0 0 -3,-1.9 3,-1.8 -4,-0.5 4,-0.7 0.735 94.4 81.1 -86.8 -26.9 11.3 23.8 29.4 57 62 A S G >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.3 -1,-0.1 0.826 87.3 51.0 -51.0 -43.1 13.0 24.4 32.7 58 63 A P G 34 S+ 0 0 18 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.609 104.1 62.1 -73.9 -10.0 10.0 25.9 34.7 59 64 A Q G <4 0 0 1 -3,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.658 360.0 360.0 -88.6 -11.7 7.9 22.9 33.6 60 65 A L << 0 0 10 -3,-1.0 -1,-0.2 -4,-0.7 -3,-0.1 0.545 360.0 360.0 -92.2 360.0 10.1 20.5 35.4 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 S > 0 0 13 0, 0.0 3,-1.7 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 61.4 7.6 20.8 41.2 63 70 A K T 3 + 0 0 15 1,-0.3 3,-0.3 2,-0.0 14,-0.2 0.478 360.0 79.3 -67.8 -10.2 5.4 22.7 43.6 64 71 A A T 3 S+ 0 0 0 1,-0.2 2,-0.9 12,-0.1 -1,-0.3 0.682 87.1 70.1 -68.9 -16.0 5.4 20.2 46.4 65 72 A Y S < S+ 0 0 0 -3,-1.7 2,-0.4 -30,-0.1 -1,-0.2 -0.500 70.4 113.9-103.1 69.9 8.8 21.8 47.0 66 73 A V - 0 0 2 -2,-0.9 145,-0.2 -34,-0.4 2,-0.2 -0.964 63.6-126.7-138.5 119.5 7.8 25.3 48.3 67 74 A K B -e 211 0A 69 143,-2.2 145,-4.0 -2,-0.4 -33,-0.1 -0.451 32.9-175.4 -66.1 131.1 8.5 26.5 51.9 68 75 A H - 0 0 30 -35,-0.2 145,-0.1 -2,-0.2 6,-0.1 -0.990 25.8-120.7-131.1 140.1 5.4 27.8 53.5 69 76 A P > - 0 0 42 0, 0.0 3,-1.9 0, 0.0 144,-0.0 -0.322 35.8-110.3 -69.5 156.9 4.8 29.5 56.9 70 77 A A T 3 S+ 0 0 113 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.770 115.6 62.6 -62.2 -26.8 2.4 27.6 59.1 71 78 A D T 3 S+ 0 0 103 1,-0.1 -1,-0.3 2,-0.1 0, 0.0 0.459 93.0 72.4 -80.6 -0.5 -0.3 30.3 58.7 72 79 A I S < S- 0 0 8 -3,-1.9 -1,-0.1 111,-0.1 140,-0.1 -0.939 90.4-120.5-117.1 111.9 -0.5 29.7 54.9 73 80 A P - 0 0 28 0, 0.0 2,-1.4 0, 0.0 3,-0.2 -0.225 15.3-140.1 -50.1 127.3 -2.3 26.5 53.9 74 81 A D >> + 0 0 26 1,-0.2 4,-4.0 -4,-0.1 3,-0.8 -0.521 31.0 173.9 -92.0 64.6 0.2 24.4 51.8 75 82 A Y H 3> S+ 0 0 4 -2,-1.4 4,-1.5 1,-0.3 -1,-0.2 0.825 72.6 48.9 -37.6 -54.4 -2.6 23.3 49.4 76 83 A L H 34 S+ 0 0 10 2,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.858 115.9 42.8 -65.3 -34.0 -0.3 21.5 47.0 77 84 A K H X4 S+ 0 0 16 -3,-0.8 3,-1.9 1,-0.2 -2,-0.2 0.922 111.1 56.2 -74.3 -44.8 1.4 19.5 49.8 78 85 A L H 3< S+ 0 0 83 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.805 95.1 69.3 -54.6 -29.3 -1.9 18.9 51.4 79 86 A S T 3X S+ 0 0 5 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.3 0.653 85.9 138.4 -68.1 -12.0 -3.1 17.3 48.1 80 87 A F T <4 + 0 0 16 -3,-1.9 -78,-0.1 2,-0.3 -77,-0.1 -0.446 44.7 28.5 -83.7 154.2 -0.8 14.3 48.5 81 88 A P T 4 S+ 0 0 69 0, 0.0 25,-2.1 0, 0.0 -1,-0.2 -0.966 131.4 38.9 -80.6 -23.8 -0.7 11.3 48.1 82 89 A E T 4 S- 0 0 92 -3,-0.2 -2,-0.3 23,-0.2 2,-0.2 0.938 101.5-161.8 -53.2 -46.7 -3.3 11.6 45.5 83 90 A G < - 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