==== 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 2QLG . 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) . 19538.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 303 70.5 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 . 31 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.2 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 2 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 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.5 2.9 12.6 57.0 2 7 A V + 0 0 67 78,-0.2 2,-0.9 1,-0.1 0, 0.0 0.883 360.0 74.3 -68.2 -29.8 3.2 11.3 53.5 3 8 A I S S- 0 0 9 77,-0.1 -1,-0.1 74,-0.1 4,-0.1 -0.727 75.7-163.4 -87.3 105.0 5.5 14.2 52.7 4 9 A K - 0 0 120 -2,-0.9 29,-0.2 2,-0.2 -2,-0.1 -0.329 35.2-103.1 -80.5 168.2 8.9 13.5 54.4 5 10 A E S S+ 0 0 151 1,-0.2 2,-0.4 26,-0.1 28,-0.2 0.754 115.4 38.7 -64.3 -21.2 11.6 16.1 55.1 6 11 A F S S+ 0 0 90 25,-0.2 2,-0.4 26,-0.1 25,-0.2 -0.996 76.4 171.1-129.3 126.6 13.5 14.7 52.1 7 12 A M E -A 30 0A 4 23,-2.7 23,-1.7 -2,-0.4 2,-0.2 -0.995 18.1-152.2-137.8 143.8 11.6 13.5 49.0 8 13 A R E -A 29 0A 92 101,-0.5 103,-2.4 -2,-0.4 2,-0.3 -0.665 12.4-159.4-105.1 166.5 12.7 12.4 45.6 9 14 A F E -Ab 28 111A 2 19,-2.4 19,-2.3 -2,-0.2 2,-0.4 -0.981 10.2-150.7-144.1 155.7 10.8 12.8 42.3 10 15 A K E -Ab 27 112A 79 101,-2.3 103,-2.5 -2,-0.3 2,-0.4 -0.976 20.6-164.0-123.0 139.4 10.7 11.1 38.9 11 16 A E E -Ab 26 113A 5 15,-2.6 15,-1.9 -2,-0.4 2,-0.5 -0.980 16.6-173.0-130.5 138.3 9.6 13.1 35.9 12 17 A H E -Ab 25 114A 47 101,-2.7 103,-2.7 -2,-0.4 2,-0.4 -0.985 14.3-179.5-123.9 129.8 8.5 12.4 32.4 13 18 A M E +Ab 24 115A 0 11,-2.8 11,-3.1 -2,-0.5 2,-0.3 -0.988 5.6 167.2-130.2 139.4 7.9 15.2 30.0 14 19 A E E +Ab 23 116A 67 101,-2.4 103,-2.1 -2,-0.4 2,-0.3 -0.953 20.5 102.5-142.3 159.6 6.8 15.2 26.4 15 20 A G E -Ab 22 117A 1 7,-1.6 7,-2.0 -2,-0.3 2,-0.3 -0.990 51.3 -96.7 161.8-158.8 5.6 17.8 23.9 16 21 A S E -Ab 21 118A 18 101,-1.8 103,-2.9 -2,-0.3 2,-0.4 -0.979 13.9-161.4-155.9 151.8 6.6 19.9 21.0 17 22 A V E > S-Ab 20 119A 0 3,-1.3 3,-2.2 -2,-0.3 103,-0.2 -0.986 81.8 -13.3-136.6 124.3 7.8 23.4 20.3 18 23 A N T 3 S- 0 0 57 101,-1.9 102,-0.1 -2,-0.4 3,-0.1 0.896 132.4 -48.1 50.0 44.5 7.6 24.9 16.8 19 24 A G T 3 S+ 0 0 74 100,-0.4 2,-0.9 1,-0.2 -1,-0.3 0.340 111.2 123.9 81.0 -6.4 6.9 21.5 15.2 20 25 A H E < -A 17 0A 58 -3,-2.2 -3,-1.3 2,-0.0 -1,-0.2 -0.737 47.5-156.8 -95.2 106.7 9.8 19.8 17.1 21 26 A E E +A 16 0A 114 -2,-0.9 2,-0.3 -5,-0.2 -5,-0.2 -0.436 23.3 155.3 -76.2 153.4 8.6 16.8 19.1 22 27 A F E -A 15 0A 4 -7,-2.0 -7,-1.6 -2,-0.1 2,-0.3 -0.983 29.5-144.7-163.5 172.9 10.7 15.6 22.1 23 28 A E E -AC 14 45A 77 22,-2.2 21,-2.0 -2,-0.3 22,-1.6 -0.988 12.3-164.7-148.3 145.6 10.7 13.7 25.4 24 29 A I E -AC 13 43A 1 -11,-3.1 -11,-2.8 -2,-0.3 2,-0.4 -0.968 1.8-162.6-130.8 145.6 12.7 14.4 28.6 25 30 A E E +AC 12 42A 57 17,-2.6 17,-2.0 -2,-0.3 2,-0.3 -0.943 17.9 168.1-124.8 148.7 13.2 12.1 31.6 26 31 A G E -AC 11 41A 12 -15,-1.9 -15,-2.6 -2,-0.4 2,-0.4 -0.996 24.3-158.3-154.6 162.2 14.5 13.3 35.0 27 32 A E E +AC 10 40A 58 13,-2.0 13,-3.0 -2,-0.3 2,-0.3 -0.991 23.1 170.3-141.2 140.6 15.0 12.5 38.6 28 33 A G E -AC 9 39A 0 -19,-2.3 -19,-2.4 -2,-0.4 2,-0.3 -0.881 17.0-155.1-143.6 173.0 15.4 15.0 41.5 29 34 A E E +AC 8 38A 57 9,-2.5 9,-2.9 -21,-0.3 2,-0.3 -0.978 22.2 142.3-148.7 158.2 15.5 15.3 45.2 30 35 A G E -AC 7 37A 6 -23,-1.7 -23,-2.7 -2,-0.3 7,-0.2 -0.987 50.2 -91.6-178.4-176.9 14.8 18.0 47.8 31 36 A R E >>> - C 0 36A 153 5,-2.2 5,-1.3 -2,-0.3 3,-1.2 -0.920 30.6-162.4-120.7 96.5 13.5 19.2 51.1 32 37 A P T 345S+ 0 0 0 0, 0.0 34,-0.5 0, 0.0 -1,-0.1 0.798 88.6 47.9 -53.0 -35.0 9.8 20.1 50.7 33 38 A Y T 345S+ 0 0 84 -28,-0.2 35,-0.2 1,-0.2 -28,-0.1 0.684 112.2 49.7 -83.9 -16.0 9.5 22.1 53.8 34 39 A E T <45S- 0 0 82 -3,-1.2 33,-0.3 -29,-0.2 -1,-0.2 0.553 106.8-127.8 -96.3 -10.1 12.7 24.1 53.1 35 40 A G T <5 + 0 0 1 -4,-1.1 175,-2.3 31,-0.2 2,-0.4 0.727 66.2 122.6 71.3 25.5 11.5 24.8 49.5 36 41 A T E < +CD 31 209A 21 -5,-1.3 -5,-2.2 173,-0.2 2,-0.3 -0.912 27.9 156.9-124.0 145.6 14.7 23.6 47.8 37 42 A Q E -CD 30 208A 14 171,-1.6 171,-2.5 -2,-0.4 2,-0.3 -0.991 19.4-159.9-159.1 156.9 15.2 20.9 45.2 38 43 A T E -CD 29 207A 48 -9,-2.9 -9,-2.5 -2,-0.3 2,-0.3 -0.931 12.8-171.7-135.4 158.9 17.6 19.8 42.5 39 44 A A E -CD 28 206A 4 167,-1.8 167,-2.0 -2,-0.3 2,-0.5 -0.994 21.3-139.5-153.4 154.4 17.2 17.5 39.5 40 45 A R E -CD 27 205A 53 -13,-3.0 -13,-2.0 -2,-0.3 2,-0.3 -0.969 29.9-177.1-114.8 119.8 19.1 15.7 36.7 41 46 A L E -CD 26 204A 3 163,-3.7 163,-2.3 -2,-0.5 2,-0.3 -0.859 9.4-176.0-118.2 158.1 17.3 15.8 33.3 42 47 A K E -CD 25 203A 120 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.6 -0.983 30.7-118.9-153.7 140.8 18.2 14.3 29.9 43 48 A V E +C 24 0A 20 159,-2.3 -19,-0.3 -2,-0.3 3,-0.1 -0.731 31.5 178.1 -80.2 118.0 16.5 14.6 26.5 44 49 A T E + 0 0 67 -21,-2.0 2,-0.3 -2,-0.6 -20,-0.2 0.569 66.0 21.7-102.2 -14.6 15.5 11.0 25.6 45 50 A K E S+C 23 0A 42 -22,-1.6 -22,-2.2 1,-0.0 -1,-0.3 -0.973 120.5 22.1-147.5 135.5 13.8 11.6 22.2 46 51 A G S S- 0 0 35 -2,-0.3 -2,-0.0 1,-0.3 -22,-0.0 0.515 87.9-173.5 89.0 3.9 14.2 14.5 19.8 47 52 A G + 0 0 41 -24,-0.1 -1,-0.3 2,-0.1 2,-0.1 -0.568 56.4 49.5 -85.1 150.9 17.6 15.7 21.0 48 53 A P S S- 0 0 74 0, 0.0 153,-0.1 0, 0.0 154,-0.1 0.491 85.6-140.5 -83.3 148.1 19.3 17.9 20.4 49 54 A L - 0 0 7 151,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.509 2.4-146.2 -72.6 138.8 16.5 20.4 20.9 50 55 A P S S+ 0 0 44 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.272 77.2 61.2 -87.2 12.3 16.5 23.3 18.5 51 56 A F S S- 0 0 3 79,-0.1 78,-0.2 80,-0.1 77,-0.1 -0.884 99.1 -68.6-134.5 167.9 15.2 25.8 21.1 52 57 A A > - 0 0 4 76,-1.4 3,-1.4 -2,-0.3 4,-0.4 -0.286 27.9-143.5 -60.0 130.7 16.2 27.2 24.5 53 58 A W G >> S+ 0 0 10 1,-0.2 3,-2.0 2,-0.2 4,-1.4 0.852 94.4 77.4 -58.2 -31.7 16.3 24.8 27.4 54 59 A D G 34 S+ 0 0 11 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.745 83.8 58.9 -54.7 -25.4 15.1 27.9 29.4 55 60 A I G <4 S+ 0 0 0 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.760 110.9 43.0 -78.1 -18.3 11.5 27.7 28.2 56 61 A L T X> S+ 0 0 0 -3,-2.0 3,-1.5 -4,-0.4 4,-1.1 0.717 93.6 81.0 -91.9 -26.4 11.2 24.1 29.6 57 62 A S T 3< S+ 0 0 1 -4,-1.4 3,-0.4 1,-0.3 -2,-0.1 0.834 89.4 51.5 -54.7 -38.8 13.0 24.7 32.9 58 63 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.690 108.5 53.3 -73.6 -15.7 10.0 26.2 34.8 59 64 A Q T <4 0 0 1 -3,-1.5 -2,-0.2 1,-0.1 -3,-0.1 0.706 360.0 360.0 -87.2 -22.4 7.8 23.3 33.7 60 65 A I < 0 0 11 -4,-1.1 -1,-0.1 -3,-0.4 -3,-0.1 0.847 360.0 360.0 -73.2 360.0 10.2 20.7 35.1 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 14 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 64.9 7.4 21.0 41.3 63 70 A K T 3 + 0 0 14 1,-0.3 3,-0.3 13,-0.0 14,-0.2 0.411 360.0 81.5 -74.6 -0.1 5.4 23.0 43.8 64 71 A A T 3 S+ 0 0 0 1,-0.2 2,-0.9 12,-0.1 -1,-0.3 0.695 86.6 69.7 -75.2 -13.9 5.3 20.5 46.6 65 72 A Y S < S+ 0 0 0 -3,-1.5 2,-0.4 -30,-0.1 -1,-0.2 -0.551 70.1 113.3-102.7 71.5 8.8 22.0 47.3 66 73 A V - 0 0 3 -2,-0.9 2,-0.4 -34,-0.5 145,-0.3 -0.989 65.6-126.4-138.6 126.1 7.8 25.5 48.5 67 74 A K B -e 211 0A 66 143,-2.4 145,-3.4 -2,-0.4 -34,-0.1 -0.613 32.7-174.1 -76.0 129.9 8.5 26.6 52.0 68 75 A H - 0 0 29 -2,-0.4 145,-0.1 -35,-0.2 2,-0.1 -0.964 25.6-119.2-126.2 141.5 5.3 28.0 53.6 69 76 A P > - 0 0 45 0, 0.0 3,-2.4 0, 0.0 144,-0.0 -0.438 36.6-108.7 -72.5 150.4 4.7 29.6 57.0 70 77 A A T 3 S+ 0 0 115 1,-0.3 4,-0.1 -2,-0.1 -2,-0.0 0.753 116.3 61.9 -51.4 -28.0 2.3 27.7 59.2 71 78 A D T 3 S+ 0 0 107 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.471 90.9 70.7 -82.3 -2.8 -0.3 30.4 58.7 72 79 A I S < S- 0 0 6 -3,-2.4 -1,-0.1 111,-0.1 140,-0.1 -0.951 91.9-120.3-115.4 113.6 -0.6 29.9 54.9 73 80 A P - 0 0 26 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.235 17.2-136.7 -52.2 131.0 -2.4 26.6 54.1 74 81 A D >> + 0 0 25 1,-0.2 4,-3.4 -4,-0.1 3,-0.6 -0.528 30.9 176.1 -93.9 67.6 0.1 24.6 51.9 75 82 A Y H 3> S+ 0 0 4 -2,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.818 73.0 49.3 -39.5 -48.4 -2.6 23.5 49.5 76 83 A L H 34 S+ 0 0 9 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.905 114.1 43.0 -69.7 -36.5 -0.3 21.7 47.2 77 84 A K H X4 S+ 0 0 15 -3,-0.6 3,-1.9 1,-0.2 -2,-0.2 0.908 111.4 58.1 -69.8 -41.0 1.5 19.6 49.9 78 85 A L H 3< S+ 0 0 83 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 93.2 68.0 -58.2 -29.4 -1.9 19.0 51.4 79 86 A S T 3X S+ 0 0 7 -4,-1.4 4,-2.2 -5,-0.3 3,-0.3 0.683 87.5 141.5 -67.5 -15.3 -3.2 17.5 48.2 80 87 A F T <4 + 0 0 15 -3,-1.9 -78,-0.2 -4,-0.3 -77,-0.1 -0.401 45.6 25.8 -83.0 155.1 -0.9 14.4 48.6 81 88 A P T 4 S+ 0 0 69 0, 0.0 25,-2.1 0, 0.0 -1,-0.3 -0.978 132.5 38.2 -80.2 -19.1 -0.7 11.5 48.2 82 89 A E T 4 S- 0 0 88 -3,-0.3 -2,-0.3 23,-0.2 2,-0.2 0.931 101.1-165.8 -56.0 -43.7 -3.3 11.7 45.5 83 90 A G < - 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