==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN, DE NOVO DESIGN 06-JAN-12 3VDZ . COMPND 2 MOLECULE: UBIQUITIN-40S RIBOSOMAL PROTEIN S27A; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT, HOMO SAPIENS; . AUTHOR K.D.DAUGHTRY,L.J.MARTIN,A.SURRAJU,B.IMPERIALI,K.N.ALLEN . 220 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 19.1 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 33 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 24 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 66 A G 0 0 33 0, 0.0 20,-3.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.4 19.1 -6.3 98.2 2 67 A A E +A 20 0A 51 18,-0.2 2,-0.3 20,-0.0 18,-0.2 -0.979 360.0 155.8-129.8 148.9 22.5 -4.7 98.7 3 68 A G E -A 19 0A 35 16,-2.1 16,-2.7 -2,-0.3 2,-0.4 -0.979 40.6-103.8-160.8 162.0 23.6 -2.0 101.1 4 69 A Y E -A 18 0A 131 -2,-0.3 2,-0.4 14,-0.2 14,-0.2 -0.751 32.1-172.1 -89.5 141.5 26.6 -0.6 102.9 5 70 A I - 0 0 84 12,-1.8 2,-2.0 -2,-0.4 9,-0.2 -0.997 27.6-129.6-133.9 132.0 27.1 -1.5 106.6 6 71 A D > + 0 0 42 -2,-0.4 3,-2.5 7,-0.1 2,-0.7 -0.256 37.6 171.5 -81.8 53.5 29.8 0.0 108.8 7 72 A T T 3 S+ 0 0 59 -2,-2.0 -2,-0.1 1,-0.3 3,-0.0 -0.571 72.8 33.7 -62.6 108.9 31.2 -3.3 110.1 8 73 A D T 3 S- 0 0 92 -2,-0.7 -1,-0.3 1,-0.0 -2,-0.1 0.001 106.3-119.7 122.5 -19.7 34.4 -2.2 112.0 9 74 A N < + 0 0 140 -3,-2.5 -2,-0.1 1,-0.1 4,-0.1 0.760 62.1 146.9 55.3 31.2 32.9 1.2 113.1 10 75 A D - 0 0 105 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.907 58.8-130.1 -46.5 -47.6 35.4 3.3 111.4 11 76 A G S S+ 0 0 68 1,-0.2 2,-0.5 -5,-0.1 -1,-0.1 0.305 82.2 99.4 95.8 -1.8 32.6 5.9 110.9 12 77 A S S S- 0 0 66 -6,-0.0 2,-0.4 0, 0.0 -2,-0.2 -0.947 78.2-129.0-121.9 112.1 33.7 6.0 107.2 13 78 A I - 0 0 99 -2,-0.5 2,-0.2 -3,-0.1 -7,-0.1 -0.446 37.9-167.4 -64.4 116.1 31.7 3.9 104.7 14 79 A D > - 0 0 50 -2,-0.4 3,-1.4 -9,-0.2 -9,-0.2 -0.556 33.2-109.6-110.2 167.4 34.3 1.8 102.8 15 80 A G G > S+ 0 0 68 1,-0.3 3,-1.2 -2,-0.2 -1,-0.1 0.840 114.7 57.0 -63.9 -39.2 34.5 -0.4 99.7 16 81 A D G 3 S+ 0 0 131 1,-0.2 -1,-0.3 -12,-0.0 -3,-0.0 0.295 95.3 74.2 -74.8 12.3 34.9 -3.8 101.5 17 82 A E G < + 0 0 2 -3,-1.4 -12,-1.8 2,-0.1 2,-0.7 0.263 58.8 115.1-113.5 11.2 31.6 -2.9 103.3 18 83 A L E < -A 4 0A 56 -3,-1.2 2,-0.3 -14,-0.2 -14,-0.2 -0.759 48.9-170.6 -76.9 116.3 29.2 -3.5 100.4 19 84 A Y E -A 3 0A 57 -16,-2.7 -16,-2.1 -2,-0.7 2,-0.5 -0.858 11.0-143.5-111.5 148.3 27.1 -6.5 101.7 20 85 A I E -A 2 0A 13 12,-0.5 2,-1.0 -2,-0.3 -18,-0.2 -0.942 7.0-162.6-123.0 117.9 24.6 -8.4 99.6 21 86 A D > + 0 0 18 -20,-3.6 3,-1.2 -2,-0.5 5,-0.1 -0.709 12.2 175.1 -98.5 84.6 21.3 -9.9 100.8 22 87 A T T 3 S+ 0 0 29 -2,-1.0 -1,-0.2 1,-0.2 29,-0.1 0.850 79.1 49.3 -50.0 -47.0 20.2 -12.5 98.2 23 88 A D T 3 S- 0 0 89 4,-0.2 -1,-0.2 -22,-0.1 5,-0.1 0.603 98.1-135.3 -69.8 -16.1 17.1 -13.7 100.1 24 89 A N < + 0 0 115 -3,-1.2 -2,-0.1 -23,-0.2 -22,-0.0 0.936 65.0 128.9 48.5 53.7 15.8 -10.2 100.6 25 90 A D S S- 0 0 84 2,-0.4 -1,-0.1 -24,-0.1 3,-0.1 0.159 84.1 -97.7-118.4 14.0 15.0 -11.1 104.3 26 91 A G S S+ 0 0 79 1,-0.2 2,-0.3 -5,-0.1 -5,-0.0 0.412 93.3 75.3 86.5 -2.0 16.8 -8.1 106.0 27 92 A S - 0 0 66 -6,-0.0 2,-0.5 -7,-0.0 -2,-0.4 -0.903 66.7-131.6-141.3 165.7 20.0 -10.0 106.8 28 93 A I - 0 0 49 -2,-0.3 2,-0.1 -7,-0.1 -7,-0.1 -0.988 29.4-170.6-113.9 120.0 23.3 -11.4 105.6 29 94 A D > - 0 0 69 -2,-0.5 4,-0.6 1,-0.0 3,-0.1 -0.342 43.6 -84.3 -97.1-173.6 24.1 -15.0 106.7 30 95 A G T >4 S+ 0 0 54 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.876 127.5 51.3 -59.7 -42.6 27.3 -17.0 106.4 31 96 A D G >4 S+ 0 0 117 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.876 105.3 55.6 -63.4 -36.5 26.5 -18.1 102.8 32 97 A E G >4 S+ 0 0 4 1,-0.3 3,-1.2 2,-0.2 -12,-0.5 0.549 85.0 81.4 -78.9 -7.4 25.8 -14.6 101.6 33 98 A L G << S+ 0 0 111 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.743 94.4 49.4 -61.7 -24.4 29.2 -13.4 102.7 34 99 A L G < S+ 0 0 117 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.415 86.0 121.9 -94.6 -1.7 30.4 -14.9 99.4 35 100 A A < + 0 0 10 -3,-1.2 2,-0.3 -15,-0.2 18,-0.2 -0.191 39.5 179.8 -63.5 158.1 27.6 -13.2 97.3 36 101 A M E -B 52 0B 16 16,-2.8 16,-2.3 -17,-0.1 2,-0.5 -0.917 28.8-109.2-150.6 168.0 28.8 -10.9 94.5 37 102 A Q E -B 51 0B 44 -2,-0.3 62,-4.3 14,-0.2 2,-0.3 -0.949 31.5-178.2-108.2 131.1 27.6 -8.7 91.7 38 103 A I E -B 50 0B 0 12,-1.9 12,-3.5 -2,-0.5 2,-0.4 -0.912 20.3-129.0-119.9 157.6 28.0 -9.7 88.1 39 104 A F E -Bc 49 101B 61 61,-3.0 63,-3.4 -2,-0.3 2,-0.5 -0.861 11.6-161.0-108.8 139.0 27.1 -7.8 85.0 40 105 A V E -Bc 48 102B 0 8,-2.7 8,-2.6 -2,-0.4 2,-0.7 -0.959 9.2-152.8-121.5 112.3 25.0 -9.0 82.1 41 106 A K E -Bc 47 103B 105 61,-2.9 63,-2.3 -2,-0.5 6,-0.2 -0.762 19.6-165.1 -86.9 114.7 25.3 -7.1 78.9 42 107 A T - 0 0 16 4,-2.3 3,-0.5 -2,-0.7 63,-0.1 -0.209 31.3-107.5 -92.1-174.4 22.0 -7.4 76.9 43 108 A L S S+ 0 0 119 61,-0.2 -1,-0.1 1,-0.2 62,-0.1 0.758 113.5 64.2 -88.4 -25.6 21.2 -6.7 73.2 44 109 A T S S- 0 0 121 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.540 118.3-109.1 -68.9 -3.8 19.2 -3.6 74.0 45 110 A G S S+ 0 0 55 -3,-0.5 2,-0.1 1,-0.4 -1,-0.1 0.092 80.6 131.9 92.1 -21.4 22.4 -2.0 75.3 46 111 A K - 0 0 99 -5,-0.1 -4,-2.3 1,-0.0 2,-0.5 -0.426 48.3-148.4 -65.0 133.3 21.0 -2.2 78.8 47 112 A T E -B 41 0B 67 -6,-0.2 2,-0.4 -2,-0.1 -6,-0.2 -0.932 8.0-150.5-108.5 130.6 23.4 -3.8 81.4 48 113 A I E -B 40 0B 2 -8,-2.6 -8,-2.7 -2,-0.5 2,-0.5 -0.852 4.0-145.6-102.7 132.3 21.8 -5.7 84.2 49 114 A T E -B 39 0B 57 -2,-0.4 2,-0.4 -10,-0.2 -10,-0.2 -0.866 22.2-160.9 -95.8 124.7 23.5 -5.9 87.6 50 115 A L E -B 38 0B 2 -12,-3.5 -12,-1.9 -2,-0.5 2,-0.7 -0.879 17.2-144.7-112.7 142.4 22.9 -9.3 89.2 51 116 A E E +B 37 0B 57 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.906 43.5 147.9 -98.3 115.4 23.2 -10.5 92.9 52 117 A V E -B 36 0B 0 -16,-2.3 -16,-2.8 -2,-0.7 -30,-0.1 -0.879 41.5-130.2-141.0 170.0 24.5 -14.0 92.8 53 118 A E > - 0 0 28 -2,-0.3 3,-1.6 -18,-0.2 38,-0.3 -0.856 32.8-114.0-118.1 159.0 26.6 -16.6 94.7 54 119 A P T 3 S+ 0 0 34 0, 0.0 38,-2.5 0, 0.0 37,-0.3 0.763 117.2 58.9 -62.7 -21.1 29.4 -18.7 93.2 55 120 A S T 3 S+ 0 0 85 36,-0.2 2,-0.0 35,-0.1 -3,-0.0 0.511 79.7 115.5 -84.1 -9.8 27.1 -21.8 93.9 56 121 A D < - 0 0 17 -3,-1.6 35,-1.8 34,-0.1 36,-0.2 -0.355 64.8-129.2 -61.9 138.8 24.3 -20.4 91.7 57 122 A T B > -F 90 0C 34 33,-0.2 4,-2.6 1,-0.1 3,-0.3 -0.549 21.2-114.0 -83.8 157.8 23.5 -22.5 88.6 58 123 A I H > S+ 0 0 0 31,-2.4 4,-2.8 28,-0.5 5,-0.2 0.891 121.0 58.9 -58.6 -36.1 23.2 -20.9 85.3 59 124 A E H > S+ 0 0 122 28,-2.4 4,-1.7 30,-0.3 -1,-0.3 0.905 106.0 47.7 -59.1 -41.7 19.5 -21.8 85.4 60 125 A N H > S+ 0 0 70 -3,-0.3 4,-2.2 27,-0.3 -2,-0.2 0.936 109.0 53.9 -61.2 -47.6 19.3 -19.7 88.6 61 126 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.914 109.5 48.0 -52.8 -44.9 21.1 -16.9 86.9 62 127 A K H X S+ 0 0 17 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.833 107.5 55.7 -66.0 -32.6 18.6 -17.0 84.0 63 128 A A H X S+ 0 0 37 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.915 106.1 51.4 -67.2 -37.9 15.7 -17.0 86.5 64 129 A K H X S+ 0 0 45 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.831 105.5 55.5 -66.9 -34.6 17.0 -13.8 88.1 65 130 A I H X S+ 0 0 0 -4,-1.4 4,-3.4 1,-0.2 6,-0.5 0.888 108.1 49.2 -64.1 -39.8 17.2 -12.2 84.6 66 131 A Q H X S+ 0 0 83 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.895 107.5 53.8 -65.8 -41.3 13.5 -13.0 84.2 67 132 A D H < S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.959 121.0 32.4 -55.5 -48.5 12.7 -11.5 87.6 68 133 A K H < S+ 0 0 122 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.901 134.7 22.0 -77.4 -42.8 14.4 -8.2 86.6 69 134 A E H < S- 0 0 73 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.543 92.3-120.9-110.7 -9.3 13.8 -8.0 82.8 70 135 A G < + 0 0 57 -4,-1.9 -4,-0.2 -5,-0.4 -3,-0.1 0.571 63.2 141.8 80.4 9.7 10.7 -10.1 82.1 71 136 A I - 0 0 47 -6,-0.5 -1,-0.2 -9,-0.1 -2,-0.1 -0.758 52.5-123.1 -91.1 121.5 12.6 -12.3 79.7 72 137 A P > - 0 0 38 0, 0.0 3,-1.0 0, 0.0 4,-0.2 -0.312 15.8-127.0 -57.6 138.7 11.8 -16.1 79.7 73 138 A P G > S+ 0 0 45 0, 0.0 3,-1.9 0, 0.0 -10,-0.1 0.819 108.9 64.6 -54.6 -36.6 14.8 -18.4 80.4 74 139 A D G 3 S+ 0 0 103 1,-0.3 -3,-0.0 3,-0.0 -12,-0.0 0.843 102.5 48.9 -61.3 -29.1 13.9 -20.4 77.2 75 140 A Q G < S+ 0 0 87 -3,-1.0 32,-1.9 31,-0.1 2,-0.5 0.478 99.8 92.8 -82.4 0.4 14.7 -17.2 75.2 76 141 A Q E < +D 106 0B 2 -3,-1.9 2,-0.4 -4,-0.2 30,-0.2 -0.814 42.5 171.7-106.8 129.3 18.0 -16.8 77.1 77 142 A R E -D 105 0B 64 28,-1.9 28,-1.8 -2,-0.5 2,-0.4 -1.000 19.6-153.4-122.8 133.8 21.5 -18.0 76.2 78 143 A L E -D 104 0B 0 -2,-0.4 7,-2.7 7,-0.4 2,-0.4 -0.856 7.6-166.7-107.0 143.0 24.4 -16.7 78.3 79 144 A I E -DE 103 84B 40 24,-2.5 24,-3.5 -2,-0.4 2,-0.4 -0.988 6.8-172.8-125.9 137.2 28.1 -16.4 77.2 80 145 A F E > S- E 0 83B 43 3,-2.3 3,-1.0 -2,-0.4 22,-0.1 -0.954 75.5 -33.1-128.4 114.8 31.2 -15.8 79.3 81 146 A A T 3 S- 0 0 91 -2,-0.4 2,-0.7 20,-0.3 3,-0.1 0.880 123.8 -47.0 44.0 49.2 34.5 -15.1 77.5 82 147 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 -0.361 114.6 106.3 95.6 -56.8 33.5 -17.4 74.6 83 148 A K E < -E 80 0B 151 -3,-1.0 -3,-2.3 -2,-0.7 2,-0.2 -0.434 67.7-134.4 -62.0 123.0 32.2 -20.5 76.4 84 149 A Q E -E 79 0B 109 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.565 30.0-111.7 -74.3 147.5 28.4 -20.7 76.2 85 150 A L - 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