==== 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 2QLI . COMPND 2 MOLECULE: FLUORESCENT PROTEIN PLUM; . SOURCE 2 ORGANISM_SCIENTIFIC: DISCOSOMA SP. LW-2004; . AUTHOR X.SHU,S.J.REMINGTON . 429 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 300 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 202 47.1 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 . 29 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 2 0 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 0 112 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 2.9 11.9 56.9 2 7 A V + 0 0 64 1,-0.2 2,-0.9 78,-0.2 0, 0.0 0.858 360.0 66.6 -84.2 -25.8 3.3 11.2 53.2 3 8 A I S S- 0 0 9 77,-0.1 -1,-0.2 74,-0.1 4,-0.1 -0.821 77.0-162.5 -96.2 106.9 5.6 14.1 52.4 4 9 A K - 0 0 115 -2,-0.9 29,-0.2 2,-0.2 -2,-0.0 -0.280 35.3-102.0 -78.5 168.4 8.9 13.4 54.2 5 10 A E S S+ 0 0 145 1,-0.2 2,-0.4 26,-0.1 28,-0.3 0.739 116.6 38.9 -65.3 -24.1 11.6 16.0 54.9 6 11 A F S S+ 0 0 93 25,-0.2 2,-0.4 26,-0.1 -2,-0.2 -0.997 77.2 172.7-124.8 129.1 13.5 14.5 52.0 7 12 A M E -A 30 0A 4 23,-2.4 23,-1.7 -2,-0.4 2,-0.2 -0.998 18.1-152.6-140.3 136.7 11.6 13.4 48.8 8 13 A R E -A 29 0A 93 101,-0.4 103,-2.5 -2,-0.4 2,-0.3 -0.652 12.8-162.0 -94.1 158.6 12.7 12.2 45.4 9 14 A F E -Ab 28 111A 0 19,-2.1 19,-2.4 -2,-0.2 2,-0.4 -0.981 8.8-151.6-137.2 156.3 10.6 12.6 42.2 10 15 A K E -Ab 27 112A 69 101,-2.3 103,-2.8 -2,-0.3 2,-0.4 -0.955 21.2-164.9-123.9 149.8 10.7 11.0 38.7 11 16 A Q E -Ab 26 113A 8 15,-2.4 15,-2.6 -2,-0.4 2,-0.4 -0.992 20.6-169.9-146.4 138.2 9.5 12.8 35.7 12 17 A H E -Ab 25 114A 47 101,-2.1 103,-2.8 -2,-0.4 2,-0.4 -0.998 14.2-176.6-125.0 130.2 8.5 12.3 32.1 13 18 A M E +Ab 24 115A 0 11,-2.8 11,-2.7 -2,-0.4 2,-0.3 -0.994 6.0 169.3-125.8 134.1 8.0 15.3 29.8 14 19 A E E +Ab 23 116A 58 101,-2.3 103,-2.7 -2,-0.4 2,-0.3 -0.920 20.6 98.6-132.6 166.1 6.8 15.2 26.1 15 20 A G E -Ab 22 117A 0 7,-1.7 7,-2.1 -2,-0.3 2,-0.3 -0.997 51.0 -96.3 156.7-158.7 5.8 17.8 23.7 16 21 A S E -Ab 21 118A 18 101,-1.9 103,-3.2 -2,-0.3 2,-0.4 -0.976 12.8-160.8-159.8 145.8 6.8 20.0 20.7 17 22 A V E > S-Ab 20 119A 0 3,-1.5 3,-1.8 -2,-0.3 103,-0.2 -0.977 83.3 -14.9-134.7 121.3 8.0 23.5 20.1 18 23 A N T 3 S- 0 0 57 101,-2.0 102,-0.1 -2,-0.4 3,-0.1 0.905 133.2 -47.4 52.3 44.0 7.7 25.0 16.7 19 24 A G T 3 S+ 0 0 73 100,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.399 110.3 123.1 82.6 -5.2 7.0 21.6 15.2 20 25 A H E < -A 17 0A 59 -3,-1.8 -3,-1.5 30,-0.0 2,-0.2 -0.798 48.1-154.6 -97.9 116.8 9.9 19.8 16.9 21 26 A E E +A 16 0A 112 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.3 -0.533 22.2 162.0 -85.2 144.6 8.7 16.8 19.1 22 27 A F E -A 15 0A 3 -7,-2.1 -7,-1.7 -2,-0.2 2,-0.3 -0.965 27.1-148.0-151.7 166.1 10.8 15.6 22.0 23 28 A E E -AC 14 45A 72 22,-2.0 21,-2.5 -2,-0.3 22,-1.6 -0.983 12.8-170.0-136.1 144.3 10.8 13.6 25.2 24 29 A I E -AC 13 43A 0 -11,-2.7 -11,-2.8 -2,-0.3 2,-0.4 -0.977 6.0-160.2-127.7 143.6 12.7 14.2 28.4 25 30 A E E +AC 12 42A 99 17,-2.3 17,-2.2 -2,-0.3 2,-0.3 -0.951 18.2 177.9-118.2 140.7 13.1 12.0 31.5 26 31 A G E -AC 11 41A 11 -15,-2.6 -15,-2.4 -2,-0.4 2,-0.3 -0.949 20.7-163.7-139.4 163.4 14.3 13.4 34.8 27 32 A E E +AC 10 40A 60 13,-1.9 13,-3.0 -2,-0.3 2,-0.3 -0.970 22.3 171.1-139.3 139.8 14.9 12.4 38.4 28 33 A G E -AC 9 39A 0 -19,-2.4 -19,-2.1 -2,-0.3 2,-0.3 -0.865 16.9-159.9-144.5 174.2 15.2 14.9 41.2 29 34 A E E +AC 8 38A 57 9,-2.5 9,-2.5 -2,-0.3 2,-0.3 -0.989 21.5 139.3-150.5 156.5 15.4 15.2 45.0 30 35 A G E -AC 7 37A 7 -23,-1.7 -23,-2.4 -2,-0.3 7,-0.2 -0.985 51.6 -88.6-179.0-172.3 14.8 18.0 47.5 31 36 A R E >>> - C 0 36A 151 5,-2.2 5,-1.4 -2,-0.3 3,-1.3 -0.929 32.0-164.6-121.7 93.5 13.5 19.1 50.9 32 37 A P T 345S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 34,-0.3 0.818 87.0 48.9 -58.8 -33.4 9.9 20.1 50.4 33 38 A Y T 345S+ 0 0 91 -28,-0.3 35,-0.2 1,-0.2 -28,-0.1 0.666 112.7 48.8 -82.9 -12.9 9.5 22.0 53.7 34 39 A E T <45S- 0 0 84 -3,-1.3 33,-0.3 -29,-0.2 -1,-0.2 0.493 108.8-125.4 -95.8 -9.4 12.7 24.0 52.9 35 40 A G T <5 + 0 0 1 -4,-1.0 175,-2.0 -3,-0.3 2,-0.3 0.737 66.7 125.3 71.4 26.5 11.5 24.8 49.3 36 41 A T E < +CD 31 209A 19 -5,-1.4 -5,-2.2 173,-0.2 2,-0.3 -0.908 26.4 153.4-123.8 146.6 14.7 23.4 47.7 37 42 A Q E -CD 30 208A 13 171,-1.4 171,-2.3 -2,-0.3 2,-0.3 -0.981 21.3-157.2-162.9 154.7 15.3 20.8 45.0 38 43 A T E -CD 29 207A 47 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.3 -0.928 13.5-167.5-128.9 159.5 17.6 19.7 42.3 39 44 A A E -CD 28 206A 4 167,-2.0 167,-2.0 -2,-0.3 2,-0.5 -0.991 18.7-144.4-149.2 148.8 17.0 17.5 39.2 40 45 A R E -CD 27 205A 54 -13,-3.0 -13,-1.9 -2,-0.3 2,-0.3 -0.983 28.1-174.0-110.5 119.9 19.0 15.6 36.5 41 46 A L E -CD 26 204A 3 163,-3.5 163,-2.2 -2,-0.5 2,-0.4 -0.856 8.5-172.7-113.8 149.2 17.2 15.8 33.1 42 47 A K E -CD 25 203A 117 -17,-2.2 -17,-2.3 -2,-0.3 2,-0.6 -0.996 27.3-124.3-142.2 140.9 18.0 14.0 29.8 43 48 A V E +C 24 0A 22 159,-2.6 -19,-0.3 -2,-0.4 3,-0.1 -0.709 30.4 175.9 -80.7 117.2 16.6 14.4 26.3 44 49 A T E + 0 0 52 -21,-2.5 2,-0.3 -2,-0.6 -20,-0.2 0.613 65.5 20.6-104.8 -16.3 15.5 10.9 25.4 45 50 A K E S+C 23 0A 61 -22,-1.6 -22,-2.0 1,-0.0 -1,-0.3 -0.972 119.1 24.0-146.3 139.6 13.8 11.6 22.0 46 51 A G S S- 0 0 31 -2,-0.3 -2,-0.0 1,-0.3 -22,-0.0 0.598 87.6-169.4 87.1 11.9 14.3 14.6 19.6 47 52 A G + 0 0 44 2,-0.1 -1,-0.3 -24,-0.1 2,-0.1 -0.537 57.8 44.3 -88.2 154.7 17.7 15.6 20.7 48 53 A P S S- 0 0 71 0, 0.0 153,-0.1 0, 0.0 154,-0.1 0.597 86.4-139.3 -74.2 150.5 19.5 17.9 20.3 49 54 A L - 0 0 6 151,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.502 1.9-144.6 -78.0 138.5 16.6 20.4 20.7 50 55 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 81,-0.1 0.265 77.8 61.6 -86.4 19.5 16.7 23.3 18.3 51 56 A F S S- 0 0 4 79,-0.1 78,-0.2 80,-0.1 -2,-0.1 -0.929 98.3 -71.0-137.4 165.4 15.4 25.8 20.9 52 57 A A > - 0 0 5 76,-1.9 3,-1.4 -2,-0.3 4,-0.3 -0.302 28.2-143.2 -58.6 123.8 16.5 27.2 24.3 53 58 A W G >> S+ 0 0 9 1,-0.2 3,-2.4 2,-0.2 4,-1.5 0.831 92.9 78.4 -48.6 -35.7 16.3 24.8 27.2 54 59 A D G 34 S+ 0 0 10 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.733 83.8 58.7 -58.8 -22.6 15.2 27.8 29.4 55 60 A I G <4 S+ 0 0 1 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.727 111.9 42.9 -77.3 -17.6 11.6 27.6 28.1 56 61 A L T X4 S+ 0 0 0 -3,-2.4 3,-2.2 -4,-0.3 4,-0.3 0.740 95.1 79.3 -92.3 -29.2 11.3 24.0 29.4 57 62 A S G >< S+ 0 0 1 -4,-1.5 3,-1.5 1,-0.3 -2,-0.1 0.814 88.8 52.9 -56.6 -41.5 13.1 24.6 32.8 58 63 A P G 3 S+ 0 0 20 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.511 103.7 60.5 -73.4 -2.5 10.1 26.2 34.6 59 64 A Q G < 0 0 1 -3,-2.2 -2,-0.2 1,-0.1 -3,-0.1 0.404 360.0 360.0 -97.4 -3.0 8.0 23.1 33.6 60 65 A I < 0 0 10 -3,-1.5 -1,-0.1 -4,-0.3 -3,-0.1 0.682 360.0 360.0 -91.1 360.0 10.2 20.7 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 11 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 63.9 7.5 21.0 41.1 63 70 A K T 3 + 0 0 16 1,-0.3 3,-0.4 2,-0.1 14,-0.2 0.445 360.0 81.9 -83.0 4.7 5.4 23.1 43.5 64 71 A A T 3 S+ 0 0 0 1,-0.2 2,-0.6 12,-0.1 -1,-0.3 0.710 86.5 66.7 -69.4 -11.2 5.3 20.5 46.4 65 72 A Y S < S+ 0 0 1 -3,-1.6 2,-0.4 -30,-0.1 145,-0.3 -0.526 71.3 117.0-109.6 61.0 8.8 22.0 47.2 66 73 A V - 0 0 4 -2,-0.6 2,-0.3 -3,-0.4 145,-0.2 -0.996 64.8-127.5-123.6 122.7 7.7 25.4 48.2 67 74 A K B -e 211 0A 71 143,-2.5 145,-3.4 -2,-0.4 -34,-0.1 -0.562 31.9-171.4 -67.3 129.2 8.4 26.5 51.8 68 75 A H - 0 0 30 -2,-0.3 145,-0.1 -35,-0.2 6,-0.1 -0.976 23.9-121.6-122.0 141.2 5.2 27.8 53.5 69 76 A P > - 0 0 44 0, 0.0 3,-1.9 0, 0.0 144,-0.0 -0.363 37.0-108.9 -66.6 156.4 4.7 29.6 56.8 70 77 A A T 3 S+ 0 0 116 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.765 116.1 59.6 -63.4 -24.8 2.3 27.7 59.0 71 78 A D T 3 S+ 0 0 108 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.476 92.6 72.2 -87.9 4.2 -0.4 30.3 58.6 72 79 A I S < S- 0 0 8 -3,-1.9 -1,-0.1 111,-0.1 140,-0.1 -0.956 90.7-123.8-112.3 109.2 -0.6 29.9 54.8 73 80 A P - 0 0 28 0, 0.0 2,-1.7 0, 0.0 3,-0.2 -0.262 14.7-137.1 -55.3 130.7 -2.3 26.6 53.9 74 81 A D > + 0 0 25 1,-0.2 4,-2.8 -4,-0.1 3,-0.4 -0.570 29.1 177.7 -92.7 74.6 0.1 24.6 51.6 75 82 A Y H > S+ 0 0 4 -2,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.848 73.9 49.8 -48.9 -45.3 -2.6 23.5 49.3 76 83 A L H 4 S+ 0 0 9 1,-0.2 4,-0.3 -3,-0.2 -1,-0.2 0.917 112.8 45.5 -71.8 -34.9 -0.3 21.6 46.9 77 84 A K H >4 S+ 0 0 15 -3,-0.4 3,-2.0 1,-0.2 -2,-0.2 0.954 111.4 54.9 -66.1 -42.2 1.5 19.6 49.7 78 85 A L H 3< S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 94.5 69.3 -62.9 -23.2 -2.0 18.9 51.3 79 86 A S T 3X S+ 0 0 7 -4,-1.3 4,-2.6 -5,-0.3 3,-0.3 0.761 87.9 138.4 -67.6 -19.6 -3.2 17.4 48.0 80 87 A F T <4 + 0 0 17 -3,-2.0 -78,-0.2 -4,-0.3 -77,-0.1 -0.452 44.8 28.2 -81.9 155.5 -0.9 14.4 48.4 81 88 A P T 4 S+ 0 0 68 0, 0.0 25,-2.0 0, 0.0 -1,-0.3 -0.973 132.3 37.9 -82.2 -16.5 -0.7 11.5 48.1 82 89 A E T 4 S- 0 0 92 -3,-0.3 2,-0.3 23,-0.2 -2,-0.2 0.953 101.9-163.5 -62.2 -43.6 -3.3 11.7 45.3 83 90 A G < - 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