==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LUMINESCENT PROTEIN 21-JUL-03 1UIS . COMPND 2 MOLECULE: RED FLUORESCENT PROTEIN FP611; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTACMAEA QUADRICOLOR; . AUTHOR J.PETERSEN,P.G.WILMANN,T.BEDDOE,A.J.OAKLEY,R.J.DEVENISH, . 448 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 45.5 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 1.3 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 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 . 0 2 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 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 -1 A I 0 0 109 0, 0.0 2,-0.1 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 -4.1 -14.8 9.5 332.0 2 0 A H > - 0 0 139 6,-0.1 3,-1.3 7,-0.1 7,-0.0 -0.291 360.0 -74.7-110.1-168.5 -12.8 6.9 333.9 3 1 A M T 3 S+ 0 0 149 1,-0.2 5,-0.1 5,-0.2 7,-0.0 0.610 127.6 48.8 -63.3 -12.9 -10.1 4.3 333.5 4 2 A N T 3 S+ 0 0 147 3,-0.1 -1,-0.2 4,-0.0 2,-0.1 0.450 87.6 98.7-107.8 -3.5 -12.6 1.9 331.8 5 3 A S S < S- 0 0 42 -3,-1.3 3,-0.1 2,-0.1 4,-0.1 -0.396 83.2-116.6 -78.7 162.3 -14.2 4.3 329.3 6 4 A L S S+ 0 0 90 1,-0.2 2,-0.9 75,-0.1 -1,-0.1 0.879 113.5 51.5 -66.6 -36.3 -13.0 4.2 325.7 7 5 A I S S- 0 0 4 74,-0.1 -1,-0.2 77,-0.1 -2,-0.1 -0.879 89.4-164.9-102.6 102.5 -11.8 7.8 326.1 8 6 A K - 0 0 84 -2,-0.9 29,-0.2 2,-0.3 -5,-0.2 -0.218 37.1 -94.7 -83.7 174.3 -9.7 7.6 329.3 9 7 A E S S+ 0 0 79 1,-0.1 2,-0.4 26,-0.1 28,-0.2 0.825 117.9 35.1 -57.3 -33.9 -8.3 10.4 331.5 10 8 A N S S+ 0 0 84 25,-0.2 2,-0.3 26,-0.1 -2,-0.3 -0.989 76.1 175.8-124.9 132.0 -5.1 10.3 329.5 11 9 A M E -A 34 0A 7 23,-2.4 23,-1.7 -2,-0.4 2,-0.3 -0.972 16.7-147.6-136.4 151.3 -5.0 9.6 325.8 12 10 A R E -A 33 0A 156 101,-0.5 103,-2.4 -2,-0.3 2,-0.3 -0.789 13.4-160.4-114.0 160.4 -2.3 9.5 323.1 13 11 A M E -Ab 32 115A 2 19,-2.2 19,-2.4 -2,-0.3 2,-0.4 -0.997 9.6-160.6-145.1 145.7 -2.7 10.4 319.4 14 12 A M E -Ab 31 116A 89 101,-2.5 103,-3.1 -2,-0.3 2,-0.4 -0.987 17.3-165.8-125.7 136.0 -0.8 9.8 316.2 15 13 A V E -Ab 30 117A 4 15,-3.1 15,-2.2 -2,-0.4 2,-0.4 -0.961 17.2-172.6-130.9 144.4 -1.2 11.9 313.1 16 14 A V E -Ab 29 118A 50 101,-1.7 103,-2.6 -2,-0.4 2,-0.4 -0.999 13.4-178.8-130.6 124.4 -0.4 11.7 309.4 17 15 A M E +Ab 28 119A 0 11,-2.8 11,-3.1 -2,-0.4 2,-0.3 -0.992 7.7 163.4-126.8 133.4 -1.0 14.8 307.3 18 16 A E E +Ab 27 120A 74 101,-2.2 103,-2.1 -2,-0.4 2,-0.3 -0.991 21.6 87.2-148.1 152.7 -0.3 15.0 303.6 19 17 A G E -Ab 26 121A 18 7,-1.6 7,-2.1 -2,-0.3 2,-0.3 -0.978 59.5 -83.4 159.2-146.1 -1.3 17.3 300.7 20 18 A S E -Ab 25 122A 17 101,-1.5 103,-3.1 -2,-0.3 2,-0.4 -0.986 11.8-148.6-155.9 161.3 -0.1 20.5 299.1 21 19 A V E > S-Ab 24 123A 1 3,-1.4 3,-2.3 -2,-0.3 103,-0.2 -0.991 90.5 -12.6-135.2 121.2 -0.1 24.3 299.4 22 20 A N T 3 S- 0 0 65 101,-2.5 102,-0.1 -2,-0.4 3,-0.1 0.850 132.7 -52.5 54.4 35.5 0.1 26.3 296.1 23 21 A G T 3 S+ 0 0 60 100,-0.6 2,-0.7 1,-0.2 -1,-0.3 0.392 107.1 130.2 84.3 -4.3 1.1 23.0 294.4 24 22 A Y E < -A 21 0A 94 -3,-2.3 -3,-1.4 1,-0.0 -1,-0.2 -0.769 50.5-142.0 -89.3 114.6 3.9 22.2 296.8 25 23 A Q E +A 20 0A 128 -2,-0.7 2,-0.3 -5,-0.2 -5,-0.2 -0.460 31.7 153.9 -76.0 142.7 3.6 18.6 298.1 26 24 A F E -A 19 0A 6 -7,-2.1 -7,-1.6 -2,-0.2 2,-0.3 -0.969 26.4-151.3-159.0 170.0 4.5 17.7 301.7 27 25 A K E -AC 18 49A 56 22,-2.1 22,-1.8 -2,-0.3 21,-1.3 -0.983 9.3-171.0-152.6 138.7 3.8 15.3 304.5 28 26 A C E -AC 17 47A 0 -11,-3.1 -11,-2.8 -2,-0.3 2,-0.3 -0.927 4.9-162.8-130.0 155.0 3.9 15.6 308.3 29 27 A T E -AC 16 46A 46 17,-2.3 17,-3.2 -2,-0.3 2,-0.3 -0.972 14.2-179.3-134.5 147.9 3.6 13.1 311.1 30 28 A G E -AC 15 45A 4 -15,-2.2 -15,-3.1 -2,-0.3 2,-0.3 -0.990 15.8-167.3-150.0 157.2 2.8 13.8 314.7 31 29 A E E +AC 14 44A 89 13,-2.0 13,-2.9 -2,-0.3 2,-0.3 -0.993 22.4 155.0-145.1 136.0 2.4 12.2 318.1 32 30 A G E -AC 13 43A 2 -19,-2.4 -19,-2.2 -2,-0.3 2,-0.3 -0.905 27.0-137.7-151.8-178.6 0.9 13.7 321.2 33 31 A D E +AC 12 42A 58 9,-2.0 9,-2.7 -2,-0.3 2,-0.3 -0.929 25.1 153.2-141.6 162.2 -0.8 13.3 324.6 34 32 A G E -AC 11 41A 5 -23,-1.7 -23,-2.4 -2,-0.3 7,-0.2 -0.985 45.6-104.6-176.0 174.7 -3.6 15.0 326.4 35 33 A N E >>> - C 0 40A 62 5,-1.9 3,-1.7 -2,-0.3 5,-1.4 -0.900 28.9-161.0-120.1 95.9 -6.4 14.8 329.0 36 34 A P T 345S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 34,-0.2 0.782 89.0 48.8 -44.8 -42.1 -9.7 14.7 327.0 37 35 A Y T 345S+ 0 0 43 -28,-0.2 35,-0.2 1,-0.2 -28,-0.1 0.657 111.5 49.6 -80.1 -13.9 -11.9 15.8 329.8 38 36 A M T <45S- 0 0 91 -3,-1.7 33,-0.2 -29,-0.2 -1,-0.2 0.534 107.0-127.2 -96.6 -11.7 -9.7 18.7 330.7 39 37 A G T <5 + 0 0 0 -4,-1.0 178,-2.3 -3,-0.3 2,-0.3 0.776 66.0 126.6 70.8 28.7 -9.6 19.9 327.1 40 38 A T E < +CD 35 216A 33 -5,-1.4 -5,-1.9 176,-0.2 2,-0.3 -0.905 26.4 156.6-122.2 147.1 -5.8 20.0 327.0 41 39 A Q E -CD 34 215A 12 174,-1.5 174,-2.3 -2,-0.3 2,-0.4 -0.984 20.9-157.9-163.4 154.4 -3.3 18.4 324.6 42 40 A T E -CD 33 214A 47 -9,-2.7 -9,-2.0 -2,-0.3 2,-0.4 -0.993 14.4-167.6-137.7 141.3 0.3 18.8 323.3 43 41 A M E -CD 32 213A 8 170,-2.9 170,-2.2 -2,-0.4 2,-0.6 -0.994 17.4-146.0-138.4 143.9 1.7 17.4 320.1 44 42 A R E -CD 31 212A 101 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.4 -0.912 26.4-167.4-105.2 121.9 5.1 16.9 318.6 45 43 A I E -CD 30 211A 0 166,-3.8 166,-2.5 -2,-0.6 2,-0.4 -0.918 9.3-169.5-120.0 139.9 5.1 17.4 314.8 46 44 A K E -CD 29 210A 119 -17,-3.2 -17,-2.3 -2,-0.4 2,-1.0 -0.967 22.5-135.8-126.4 140.5 7.6 16.6 312.1 47 45 A V E +C 28 0A 10 162,-2.3 -19,-0.3 -2,-0.4 4,-0.2 -0.826 29.2 172.6 -92.8 102.5 7.8 17.5 308.4 48 46 A V E + 0 0 71 -21,-1.3 2,-0.4 -2,-1.0 -20,-0.2 0.662 63.7 31.9 -87.7 -17.3 8.8 14.2 306.9 49 47 A E E S+C 27 0A 109 -22,-1.8 -22,-2.1 1,-0.0 -1,-0.2 -0.988 120.2 12.5-144.2 131.8 8.4 15.2 303.2 50 48 A G S S- 0 0 28 -2,-0.4 -2,-0.1 1,-0.3 -22,-0.1 0.358 88.1-175.0 90.0 -5.7 8.9 18.5 301.5 51 49 A G + 0 0 25 -24,-0.2 -1,-0.3 -4,-0.2 157,-0.1 -0.417 59.8 50.7 -73.9 148.2 10.6 20.2 304.4 52 50 A P S S- 0 0 63 0, 0.0 -1,-0.1 0, 0.0 156,-0.1 0.392 91.9-141.4 -75.7 129.7 11.6 23.0 304.9 53 51 A L - 0 0 5 154,-0.3 4,-0.1 1,-0.1 -2,-0.1 -0.291 5.9-138.5 -61.1 138.3 8.1 24.1 303.8 54 52 A P S S+ 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.210 83.2 59.6 -83.9 18.2 8.0 27.3 301.7 55 53 A F S S- 0 0 0 79,-0.1 78,-0.2 80,-0.1 2,-0.2 -0.952 100.4 -77.8-141.7 160.2 4.9 28.5 303.7 56 54 A A > - 0 0 1 76,-1.8 3,-1.6 -2,-0.3 4,-0.2 -0.391 28.6-144.8 -63.0 125.0 4.0 29.3 307.3 57 55 A F T >> S+ 0 0 1 1,-0.3 3,-2.8 -2,-0.2 4,-0.9 0.796 91.5 82.6 -57.9 -28.2 3.4 26.2 309.4 58 56 A D H 3> S+ 0 0 5 1,-0.3 4,-0.5 2,-0.2 3,-0.4 0.790 79.8 62.0 -47.9 -34.6 0.8 28.3 311.1 59 57 A I H <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.667 106.4 46.5 -70.6 -12.5 -1.8 27.5 308.4 60 58 A L H X> S+ 0 0 0 -3,-2.8 3,-2.3 -4,-0.2 4,-0.5 0.639 88.2 91.1 -98.6 -19.0 -1.5 23.8 309.3 61 59 A A H >< S+ 0 0 2 -4,-0.9 3,-1.1 -3,-0.4 -2,-0.1 0.835 83.5 49.8 -45.4 -51.1 -1.8 24.3 313.0 62 60 A T T 3< S+ 0 0 31 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.313 104.5 62.5 -77.6 12.0 -5.6 24.0 313.3 63 61 A S T <4 0 0 2 -3,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.555 360.0 360.0-111.0 -11.6 -5.6 20.8 311.3 64 62 A F << 0 0 11 -3,-1.1 -2,-0.1 -4,-0.5 -3,-0.1 0.773 360.0 360.0 -84.4 360.0 -3.5 18.5 313.6 65 ! 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 66 66 A S > 0 0 15 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 68.7 -8.1 16.9 317.6 67 67 A K T 3 + 0 0 13 1,-0.3 3,-0.3 2,-0.1 13,-0.2 0.593 360.0 73.8 -60.3 -20.8 -11.8 17.2 318.7 68 68 A T T 3 S+ 0 0 0 1,-0.2 2,-1.2 12,-0.1 -1,-0.3 0.792 85.6 70.2 -68.0 -25.1 -11.7 14.5 321.3 69 69 A F < + 0 0 1 -3,-1.5 2,-0.4 -30,-0.1 148,-0.3 -0.429 69.4 118.9 -93.2 62.5 -9.8 16.8 323.6 70 70 A I - 0 0 4 -2,-1.2 2,-0.3 -3,-0.3 148,-0.2 -0.990 60.2-131.0-128.6 124.0 -12.5 19.3 324.5 71 71 A K E -e 218 0A 76 146,-2.5 148,-3.1 -2,-0.4 2,-0.5 -0.576 22.7-160.3 -74.6 129.8 -13.7 19.9 328.0 72 72 A H E +e 219 0A 45 -2,-0.3 2,-0.2 -35,-0.2 148,-0.1 -0.954 17.3 164.5-116.1 128.7 -17.5 19.8 328.2 73 73 A T > + 0 0 55 146,-0.9 3,-0.7 -2,-0.5 145,-0.0 -0.645 48.7 27.6-125.4-175.5 -19.3 21.4 331.2 74 74 A K T 3 S- 0 0 142 -2,-0.2 2,-0.7 1,-0.2 -2,-0.0 -0.148 120.7 -39.7 55.3-154.0 -23.0 22.3 331.7 75 75 A G T 3 S+ 0 0 64 2,-0.0 -1,-0.2 115,-0.0 145,-0.1 -0.523 91.1 132.0-104.6 65.4 -25.5 20.3 329.7 76 76 A I < - 0 0 13 -2,-0.7 143,-0.1 -3,-0.7 117,-0.0 -0.915 51.6-136.2-119.6 104.6 -23.6 20.0 326.4 77 77 A P - 0 0 23 0, 0.0 2,-1.0 0, 0.0 3,-0.1 -0.271 23.2-117.5 -57.0 142.7 -23.5 16.4 325.0 78 78 A D > - 0 0 20 1,-0.2 4,-1.9 -6,-0.1 5,-0.2 -0.736 25.4-169.7 -89.3 100.6 -20.0 15.5 323.6 79 79 A F T 4 S+ 0 0 2 -2,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.867 84.9 40.2 -54.6 -41.6 -20.4 14.8 319.9 80 80 A F T >> S+ 0 0 6 -13,-0.2 3,-0.7 2,-0.2 4,-0.5 0.911 112.5 48.4 -80.5 -46.8 -16.9 13.4 319.6 81 81 A K G >4 S+ 0 0 28 1,-0.2 3,-1.0 -14,-0.2 -2,-0.2 0.902 110.8 53.9 -63.1 -38.2 -16.5 11.3 322.7 82 82 A Q G 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.721 95.2 72.1 -67.3 -20.6 -19.9 9.6 322.1 83 83 A S G X> S+ 0 0 0 -3,-0.7 4,-1.6 -4,-0.4 3,-0.6 0.735 81.5 134.7 -68.5 -25.2 -18.8 8.7 318.6 84 84 A F T << + 0 0 8 -3,-1.0 -78,-0.1 -4,-0.5 -77,-0.1 -0.371 52.5 28.3 -75.2 156.7 -16.3 6.0 319.6 85 85 A P T 34 S+ 0 0 81 0, 0.0 25,-0.6 0, 0.0 -1,-0.3 -0.994 132.6 43.0 -68.4 -16.5 -15.5 3.1 319.0 86 86 A E T <4 S- 0 0 87 -3,-0.6 -2,-0.3 1,-0.2 2,-0.2 0.899 96.1-162.8 -59.4 -43.7 -16.7 4.1 315.5 87 87 A G < - 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