==== 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 TRANSFERASE 23-APR-03 1P4M . COMPND 2 MOLECULE: RIBOFLAVIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.KARTHIKEYAN,Q.ZHOU,F.MSEEH,N.V.GRISHIN,A.L.OSTERMAN,H.ZHAN . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8883.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 14 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 25 17.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 2 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 1 2 1 0 0 0 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 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 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 9 A R 0 0 114 0, 0.0 40,-0.1 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -34.2 14.6 20.4 32.6 2 10 A H + 0 0 100 38,-0.1 39,-0.1 36,-0.1 38,-0.0 0.145 360.0 147.7-107.5 20.8 15.8 20.5 29.0 3 11 A L + 0 0 53 2,-0.1 96,-0.2 1,-0.1 2,-0.1 -0.826 45.9 48.6-100.4 143.5 16.6 24.2 29.2 4 12 A P S S- 0 0 63 0, 0.0 2,-0.6 0, 0.0 95,-0.2 0.464 80.7-174.1 -75.1 143.0 18.7 25.8 27.9 5 13 A Y E -A 98 0A 40 93,-2.4 93,-3.2 -2,-0.1 2,-0.5 -0.945 6.4-160.0-111.9 124.9 17.8 24.3 24.6 6 14 A F E +A 97 0A 67 -2,-0.6 2,-0.3 91,-0.2 91,-0.2 -0.859 21.5 152.1-107.4 131.0 19.9 25.1 21.6 7 15 A C E -A 96 0A 14 89,-2.4 89,-3.3 -2,-0.5 2,-0.3 -0.981 23.3-159.2-154.5 160.5 18.7 24.7 18.0 8 16 A R E +A 95 0A 85 -2,-0.3 2,-0.3 87,-0.2 87,-0.2 -0.988 19.8 155.3-139.6 148.1 19.2 26.1 14.5 9 17 A G E -A 94 0A 6 85,-1.6 85,-3.2 -2,-0.3 2,-0.1 -0.983 45.4 -85.7-168.7 157.8 17.0 26.0 11.4 10 18 A Q E -A 93 0A 117 -2,-0.3 2,-0.6 83,-0.2 83,-0.2 -0.440 47.9-116.5 -64.4 139.7 16.1 27.6 8.1 11 19 A V - 0 0 7 81,-2.1 80,-3.0 78,-0.3 2,-0.3 -0.736 43.6-176.6 -84.0 122.3 13.6 30.4 8.5 12 20 A V B -B 28 0A 51 16,-2.5 16,-1.0 -2,-0.6 2,-0.1 -0.789 25.9 -99.5-126.1 158.3 10.4 29.3 6.6 13 21 A R - 0 0 162 -2,-0.3 2,-0.1 14,-0.1 14,-0.1 -0.440 33.2-149.9 -76.2 151.3 7.0 30.8 5.7 14 22 A G - 0 0 39 -2,-0.1 2,-0.2 1,-0.1 4,-0.1 -0.362 16.0-104.8-107.8-169.3 3.9 30.0 7.6 15 23 A F S S+ 0 0 182 -2,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.515 77.6 28.0-118.7 176.4 0.2 29.8 6.7 16 24 A G S S- 0 0 80 -2,-0.2 2,-0.4 2,-0.0 -2,-0.1 -0.237 115.6 -27.9 58.0-161.8 -2.7 32.0 7.4 17 25 A R S S- 0 0 188 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.709 74.4-114.4 -90.7 131.9 -1.9 35.8 7.8 18 26 A G > - 0 0 47 -2,-0.4 3,-2.1 1,-0.1 4,-0.1 -0.246 17.2-121.3 -63.9 153.1 1.5 36.5 9.2 19 27 A S G > >S+ 0 0 23 1,-0.3 5,-1.9 7,-0.2 3,-1.9 0.526 102.1 90.5 -76.3 -1.2 1.8 38.1 12.6 20 28 A K G > 5S+ 0 0 110 1,-0.3 3,-1.8 3,-0.2 -1,-0.3 0.804 74.2 70.2 -48.9 -33.3 3.6 40.9 10.8 21 29 A Q G < 5S+ 0 0 115 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.741 99.6 45.7 -60.6 -23.6 0.1 42.2 10.6 22 30 A L G < 5S- 0 0 40 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.398 120.6-109.1 -95.9 0.4 0.3 42.9 14.4 23 31 A G T < 5S+ 0 0 62 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.587 97.1 102.4 77.4 13.5 3.7 44.4 14.1 24 32 A I < - 0 0 13 -5,-1.9 -3,-0.1 -6,-0.1 -5,-0.1 -0.706 60.4-160.4-128.6 78.7 5.1 41.3 15.8 25 33 A P - 0 0 58 0, 0.0 2,-0.5 0, 0.0 56,-0.3 -0.304 2.9-157.4 -66.4 141.5 6.7 39.0 13.1 26 34 A T - 0 0 33 54,-0.1 2,-0.4 36,-0.0 54,-0.2 -0.971 6.2-145.1-126.3 115.9 7.2 35.4 14.1 27 35 A A E - C 0 79A 14 52,-3.2 52,-2.4 -2,-0.5 2,-0.3 -0.654 13.2-148.3 -87.7 133.6 9.8 33.3 12.4 28 36 A N E -BC 12 78A 34 -16,-1.0 -16,-2.5 -2,-0.4 50,-0.2 -0.696 2.3-150.0 -96.6 150.3 9.1 29.6 11.7 29 37 A F - 0 0 11 48,-0.6 48,-0.2 -2,-0.3 -18,-0.1 -0.801 37.5 -90.7-106.9 153.9 11.5 26.6 11.6 30 38 A P >> - 0 0 28 0, 0.0 3,-1.4 0, 0.0 4,-1.3 -0.267 41.2-104.5 -60.4 151.9 10.9 23.5 9.4 31 39 A E H 3> S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.791 117.8 68.2 -39.3 -39.5 8.9 20.6 10.9 32 40 A Q H 3> S+ 0 0 139 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.870 101.8 46.0 -57.0 -38.7 12.3 18.6 11.3 33 41 A V H X4 S+ 0 0 14 -3,-1.4 3,-1.2 2,-0.2 -1,-0.2 0.946 112.5 47.2 -72.3 -50.1 13.5 21.1 13.9 34 42 A V H >< S+ 0 0 12 -4,-1.3 3,-1.8 1,-0.3 -2,-0.2 0.895 106.3 61.0 -60.0 -38.7 10.3 21.2 16.0 35 43 A D H 3< S+ 0 0 66 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.701 98.2 58.4 -61.7 -17.4 10.1 17.3 15.9 36 44 A N T << S+ 0 0 121 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.421 76.0 114.3 -97.6 1.9 13.4 17.1 17.7 37 45 A L S < S- 0 0 18 -3,-1.8 2,-0.1 -4,-0.2 -30,-0.0 -0.461 78.3-107.7 -62.5 141.3 12.3 19.1 20.7 38 46 A P > - 0 0 24 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.458 26.6-117.4 -63.1 150.1 12.3 16.9 23.8 39 47 A A T 3 S+ 0 0 86 1,-0.3 -2,-0.1 -2,-0.1 -3,-0.0 0.724 110.6 68.2 -59.9 -24.7 8.8 16.1 25.0 40 48 A D T 3 S+ 0 0 82 1,-0.2 2,-1.7 2,-0.1 -1,-0.3 0.565 73.7 90.2 -78.9 -10.4 9.4 17.9 28.3 41 49 A I S < S- 0 0 3 -3,-1.5 -1,-0.2 -40,-0.1 3,-0.1 -0.734 76.8-164.8 -83.9 85.4 9.5 21.1 26.5 42 50 A S - 0 0 53 -2,-1.7 22,-0.1 1,-0.2 -2,-0.1 -0.081 25.7 -80.1 -63.2 167.0 5.8 21.6 26.9 43 51 A T S S+ 0 0 28 20,-0.1 2,-0.3 62,-0.0 22,-0.2 -0.290 82.4 81.0 -69.7 159.5 3.7 24.1 25.0 44 52 A G E S-D 64 0A 0 20,-2.9 20,-3.0 60,-0.2 2,-0.4 -0.860 81.1 -47.7 135.4-168.1 3.7 27.7 26.2 45 53 A I E +DE 63 103A 13 58,-3.0 57,-3.3 -2,-0.3 58,-1.2 -0.843 51.3 176.9-110.8 131.8 5.7 30.8 25.9 46 54 A Y E -DE 62 101A 8 16,-3.3 16,-2.5 -2,-0.4 2,-0.3 -0.795 13.9-146.5-126.2 171.2 9.5 30.8 26.4 47 55 A Y E +DE 61 100A 5 53,-2.3 52,-2.2 -2,-0.3 53,-1.9 -0.926 33.6 113.8-139.5 159.6 12.3 33.4 26.2 48 56 A G E -DE 60 98A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.3 -0.926 55.6 -50.3 176.8-145.0 15.9 33.4 25.3 49 57 A W E -DE 59 97A 4 48,-2.2 48,-2.8 -2,-0.3 2,-0.3 -0.888 41.0-179.8-129.2 148.6 18.4 34.6 22.7 50 58 A A E -DE 58 96A 0 8,-2.7 8,-3.0 -2,-0.3 2,-0.3 -0.999 9.4-174.5-147.4 146.2 18.6 34.5 18.9 51 59 A S E - E 0 95A 1 44,-2.1 44,-3.0 -2,-0.3 2,-0.5 -0.968 21.0-133.0-132.5 161.0 20.7 35.5 16.1 52 60 A V E > - E 0 94A 20 4,-0.5 3,-2.9 -2,-0.3 42,-0.2 -0.929 66.9 -48.4-112.5 129.9 20.2 35.3 12.3 53 61 A G T 3 S- 0 0 18 40,-2.9 42,-0.1 -2,-0.5 -2,-0.0 -0.208 123.5 -20.4 44.8-122.5 23.0 33.9 10.1 54 62 A S T 3 S+ 0 0 88 93,-0.1 -1,-0.3 -3,-0.0 89,-0.0 0.298 110.3 116.4 -97.3 8.4 26.2 35.6 11.3 55 63 A G S < S- 0 0 32 -3,-2.9 91,-0.0 1,-0.2 -2,-0.0 0.066 71.5 -71.2 -72.0-177.3 24.5 38.6 12.9 56 64 A D - 0 0 109 1,-0.1 -4,-0.5 -5,-0.1 2,-0.4 -0.249 49.2-102.2 -74.6 162.9 24.4 39.7 16.5 57 65 A V + 0 0 10 -6,-0.2 2,-0.3 81,-0.1 -6,-0.2 -0.756 43.4 179.7 -91.6 130.3 22.6 38.0 19.4 58 66 A H E -D 50 0A 39 -8,-3.0 -8,-2.7 -2,-0.4 25,-0.1 -0.835 33.5 -92.2-130.3 162.4 19.3 39.6 20.5 59 67 A K E +D 49 0A 41 23,-0.5 23,-2.5 -2,-0.3 2,-0.3 -0.381 50.0 177.1 -71.4 150.9 16.6 38.9 23.0 60 68 A M E -DF 48 81A 0 -12,-2.4 -12,-2.3 21,-0.2 2,-0.4 -0.980 28.0-141.8-150.3 159.3 13.6 36.8 21.8 61 69 A V E -DF 47 80A 13 19,-2.2 19,-2.9 -2,-0.3 2,-0.4 -0.957 18.8-158.5-115.3 144.1 10.4 35.1 22.8 62 70 A V E -DF 46 79A 1 -16,-2.5 -16,-3.3 -2,-0.4 2,-0.5 -0.995 5.0-153.0-122.5 132.4 9.3 31.7 21.4 63 71 A S E -DF 45 78A 29 15,-2.7 15,-1.6 -2,-0.4 2,-0.5 -0.917 9.2-168.1 -99.1 121.2 5.8 30.3 21.3 64 72 A I E +DF 44 77A 0 -20,-3.0 -20,-2.9 -2,-0.5 13,-0.2 -0.960 24.2 153.9-110.0 121.4 5.5 26.5 21.3 65 73 A G E - F 0 76A 3 11,-2.1 11,-2.5 -2,-0.5 2,-0.4 -0.704 45.6 -85.2-135.7-179.8 2.1 25.2 20.5 66 74 A W E - F 0 75A 131 9,-0.3 9,-0.3 -2,-0.2 7,-0.0 -0.814 37.4-131.3 -91.3 137.2 0.1 22.3 19.1 67 75 A N - 0 0 29 7,-3.2 7,-0.5 -2,-0.4 3,-0.3 -0.840 9.2-159.1 -85.8 116.7 -0.3 22.1 15.3 68 76 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.562 82.7 55.8 -58.5 -10.1 -3.9 21.6 14.3 69 77 A Y S S+ 0 0 187 5,-0.1 2,-0.3 2,-0.1 4,-0.1 0.743 82.1 76.1-115.1 -23.6 -2.8 20.2 10.9 70 78 A Y S S- 0 0 96 -3,-0.3 4,-0.4 4,-0.1 -3,-0.1 -0.683 81.3-100.3 -96.2 151.7 -0.4 17.3 10.9 71 79 A K S S+ 0 0 186 -2,-0.3 2,-0.1 2,-0.1 -1,-0.1 -0.312 98.6 23.1 -62.6 149.8 -1.1 13.6 11.6 72 80 A N S S- 0 0 125 1,-0.1 2,-0.8 2,-0.0 -2,-0.0 -0.300 118.7 -63.3 67.9-171.6 -0.1 12.7 15.1 73 81 A T - 0 0 115 -2,-0.1 2,-0.2 -4,-0.1 -2,-0.1 -0.839 68.2-179.2-109.6 90.0 0.0 15.6 17.6 74 82 A K - 0 0 50 -2,-0.8 -7,-3.2 -7,-0.5 2,-0.2 -0.628 17.2-133.9 -93.0 149.5 2.8 17.7 16.2 75 83 A K E - F 0 66A 43 -9,-0.3 2,-0.3 -2,-0.2 -9,-0.3 -0.505 9.4-143.6 -93.8 172.0 4.0 20.9 17.8 76 84 A S E - F 0 65A 46 -11,-2.5 -11,-2.1 -2,-0.2 2,-0.3 -0.908 10.3-165.4-129.7 157.4 4.7 24.3 16.3 77 85 A M E + F 0 64A 5 -2,-0.3 -48,-0.6 -13,-0.2 2,-0.3 -0.991 9.3 172.8-146.4 135.3 7.4 26.8 17.2 78 86 A E E -CF 28 63A 70 -15,-1.6 -15,-2.7 -2,-0.3 2,-0.4 -0.991 14.6-152.9-148.8 139.7 7.7 30.4 16.2 79 87 A T E -CF 27 62A 3 -52,-2.4 -52,-3.2 -2,-0.3 2,-0.5 -0.944 4.0-161.9-120.9 130.8 10.2 33.0 17.4 80 88 A H E - F 0 61A 27 -19,-2.9 -19,-2.2 -2,-0.4 2,-0.4 -0.963 16.4-149.6-109.4 124.7 9.8 36.8 17.7 81 89 A I E - F 0 60A 8 -2,-0.5 2,-2.0 -56,-0.3 -21,-0.2 -0.813 12.8-134.7 -95.1 131.9 13.1 38.6 17.9 82 90 A M S S+ 0 0 32 -23,-2.5 -23,-0.5 -2,-0.4 2,-0.3 -0.565 76.7 92.6 -85.5 76.7 13.2 41.9 19.9 83 91 A H S S- 0 0 85 -2,-2.0 2,-0.7 -25,-0.1 -2,-0.1 -0.908 78.7-119.3-163.6 136.0 15.3 43.7 17.2 84 92 A T - 0 0 134 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.777 30.5-156.0 -84.7 115.8 14.2 45.7 14.2 85 93 A F - 0 0 68 -2,-0.7 3,-0.1 1,-0.1 4,-0.0 -0.726 15.7-143.2 -94.0 142.4 15.4 44.1 11.0 86 94 A K S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.747 84.0 2.6 -75.1 -27.3 15.8 46.1 7.8 87 95 A E S S- 0 0 140 -3,-0.0 -1,-0.1 1,-0.0 0, 0.0 -0.974 88.3 -81.2-152.6 168.2 14.6 43.3 5.7 88 96 A D - 0 0 87 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.0 -0.143 26.6-152.4 -65.6 164.0 13.1 39.7 5.9 89 97 A F > + 0 0 37 3,-0.1 3,-1.7 -77,-0.0 -78,-0.3 -0.105 26.9 162.0-135.5 41.4 15.4 36.8 6.4 90 98 A Y T 3 S+ 0 0 90 1,-0.2 -78,-0.2 -80,-0.1 3,-0.1 -0.359 73.9 18.6 -58.0 136.2 13.6 33.8 4.8 91 99 A G T 3 S+ 0 0 41 -80,-3.0 -1,-0.2 1,-0.3 -79,-0.1 0.216 97.5 116.3 88.5 -18.0 16.0 31.0 4.2 92 100 A E S < S- 0 0 105 -3,-1.7 -81,-2.1 -81,-0.1 2,-0.6 -0.388 75.4-100.0 -78.8 163.6 18.7 32.3 6.5 93 101 A I E -A 10 0A 59 -83,-0.2 -40,-2.9 -3,-0.1 2,-0.6 -0.771 29.7-154.0 -90.0 124.4 19.6 30.2 9.5 94 102 A L E -AE 9 52A 0 -85,-3.2 -85,-1.6 -2,-0.6 2,-0.5 -0.834 7.7-158.0 -95.0 126.0 18.0 31.2 12.8 95 103 A N E -AE 8 51A 5 -44,-3.0 -44,-2.1 -2,-0.6 2,-0.4 -0.902 16.1-174.7-103.3 122.7 20.1 30.2 15.8 96 104 A V E -AE 7 50A 0 -89,-3.3 -89,-2.4 -2,-0.5 2,-0.5 -0.950 25.6-169.4-128.7 142.8 18.2 30.0 19.1 97 105 A A E -AE 6 49A 0 -48,-2.8 -48,-2.2 -2,-0.4 2,-0.7 -0.979 16.6-157.0-119.0 110.6 18.9 29.4 22.8 98 106 A I E +AE 5 48A 0 -93,-3.2 -93,-2.4 -2,-0.5 -50,-0.2 -0.836 21.3 167.8 -91.7 117.6 15.7 28.9 24.7 99 107 A V E + 0 0 8 -52,-2.2 2,-0.3 -2,-0.7 -51,-0.2 0.744 50.0 13.1-108.1 -28.0 16.6 29.7 28.3 100 108 A G E - 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