==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-01 1KEZ . COMPND 2 MOLECULE: ERYTHRONOLIDE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROPOLYSPORA ERYTHRAEA; . AUTHOR S.-C.TSAI,L.J.W.MIERCKE,J.KRUCINSKI,R.GOKHALE,J.C.-H.CHEN, . 801 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 46 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 23.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 4 0 2 4 1 3 1 4 3 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 3 4 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 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 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 15 A S 0 0 156 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.0 -50.9 48.5 26.1 2 16 A S - 0 0 43 1,-0.1 4,-0.2 451,-0.0 453,-0.0 -0.042 360.0-132.6 -83.8-169.0 -49.6 45.6 24.0 3 17 A A S > S+ 0 0 24 2,-0.1 4,-1.1 451,-0.1 3,-0.2 0.562 96.0 68.5-118.9 -26.1 -48.6 45.5 20.4 4 18 A L T 4 S+ 0 0 31 1,-0.2 4,-0.3 2,-0.2 181,-0.0 0.385 91.4 69.4 -76.5 2.3 -50.3 42.4 19.1 5 19 A R T > S+ 0 0 105 2,-0.1 4,-0.7 3,-0.1 3,-0.5 0.923 103.0 35.8 -84.8 -52.3 -53.6 44.2 19.6 6 20 A D H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.799 109.9 64.7 -72.3 -28.9 -53.4 46.8 16.9 7 21 A G H < S+ 0 0 12 -4,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.772 104.4 46.9 -64.6 -24.6 -51.7 44.4 14.5 8 22 A Y H 4 S+ 0 0 7 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.686 113.7 49.9 -86.7 -24.3 -54.9 42.3 14.6 9 23 A R H >X S+ 0 0 122 -4,-0.7 3,-1.8 -3,-0.3 4,-0.6 0.935 106.4 49.6 -78.1 -55.4 -57.0 45.5 14.0 10 24 A Q H 3X S+ 0 0 68 -4,-2.8 4,-1.1 1,-0.3 3,-0.2 0.663 99.0 71.1 -61.5 -16.5 -55.2 47.0 11.0 11 25 A A H 3>>S+ 0 0 1 -4,-0.3 4,-1.3 -5,-0.3 5,-1.0 0.675 95.7 52.4 -74.1 -20.7 -55.3 43.6 9.3 12 26 A G H <45S+ 0 0 14 -3,-1.8 -1,-0.2 162,-0.2 -2,-0.2 0.733 101.5 57.5 -86.2 -27.5 -59.0 44.0 8.8 13 27 A V H <5S+ 0 0 92 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.847 115.2 38.2 -70.7 -34.5 -58.9 47.4 7.1 14 28 A S H <5S- 0 0 59 -4,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.973 108.5-117.6 -78.3 -66.9 -56.7 46.1 4.4 15 29 A G T <5S+ 0 0 44 -4,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.542 70.3 115.1 135.1 19.3 -58.0 42.6 3.8 16 30 A R < + 0 0 126 -5,-1.0 -1,-0.2 1,-0.1 -2,-0.1 -0.952 14.2 134.3-122.3 111.6 -55.4 40.0 4.6 17 31 A V > + 0 0 8 -2,-0.5 4,-0.6 -5,-0.1 3,-0.2 0.563 60.4 72.5-123.9 -24.6 -55.9 37.6 7.5 18 32 A R H >> S+ 0 0 165 1,-0.2 3,-2.6 2,-0.2 4,-1.0 0.983 99.3 43.7 -57.8 -67.9 -54.9 34.2 6.1 19 33 A S H 3> S+ 0 0 88 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.645 106.0 66.9 -54.2 -15.8 -51.1 34.7 6.0 20 34 A Y H 3> S+ 0 0 4 -3,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.740 100.4 48.8 -75.7 -26.0 -51.4 36.2 9.4 21 35 A L H X S+ 0 0 10 -4,-0.6 4,-2.0 2,-0.2 3,-1.2 0.869 100.6 63.9 -80.6 -41.0 -47.4 32.6 11.7 24 38 A L H 3X S+ 0 0 5 -4,-1.0 4,-1.0 1,-0.3 170,-0.2 0.842 108.0 46.2 -53.3 -33.5 -49.6 32.5 14.9 25 39 A A H 3X S+ 0 0 8 -4,-1.5 4,-0.8 168,-0.3 -1,-0.3 0.647 106.5 59.3 -81.6 -20.1 -49.1 28.7 14.7 26 40 A G H <4 S+ 0 0 16 -3,-1.2 4,-0.2 -4,-0.3 -2,-0.2 0.838 107.1 45.8 -75.8 -34.1 -45.4 29.1 14.1 27 41 A L H >X S+ 0 0 9 -4,-2.0 3,-0.8 1,-0.2 4,-0.6 0.793 108.7 55.6 -76.6 -32.7 -44.9 30.9 17.4 28 42 A S H 3< S+ 0 0 8 -4,-1.0 3,-0.4 -5,-0.2 -1,-0.2 0.743 91.3 71.6 -72.4 -26.3 -47.0 28.4 19.4 29 43 A D T 3< S+ 0 0 62 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.723 98.3 52.5 -62.1 -19.7 -44.9 25.5 18.2 30 44 A F T <4 S+ 0 0 15 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.791 90.2 89.1 -87.1 -32.1 -42.2 27.0 20.5 31 45 A R S < S- 0 0 30 -4,-0.6 241,-0.0 -3,-0.4 240,-0.0 -0.198 98.3 -79.4 -62.0 159.6 -44.3 27.2 23.7 32 46 A E - 0 0 139 1,-0.1 66,-1.8 65,-0.0 2,-0.3 -0.343 57.5-155.9 -60.9 142.2 -44.4 24.3 26.1 33 47 A H B -a 98 0A 65 64,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.783 17.6-151.8-122.9 163.6 -46.8 21.6 24.8 34 48 A F + 0 0 7 64,-1.5 66,-0.5 -2,-0.3 5,-0.0 -0.992 19.9 163.2-134.8 124.9 -48.9 18.7 26.1 35 49 A D S S- 0 0 105 -2,-0.4 -1,-0.1 64,-0.2 72,-0.1 0.554 72.3 -72.4-117.7 -11.2 -49.8 15.7 23.9 36 50 A G S S+ 0 0 59 2,-0.1 -2,-0.0 71,-0.0 68,-0.0 0.166 116.3 81.0 139.4 -17.8 -50.9 13.1 26.4 37 51 A S S S+ 0 0 106 2,-0.1 2,-0.3 0, 0.0 -3,-0.0 -0.140 83.4 64.2-110.7 42.4 -47.7 12.0 28.2 38 52 A D S S- 0 0 122 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 -0.994 86.2 -86.4-159.5 153.8 -47.3 14.8 30.7 39 53 A G + 0 0 70 -2,-0.3 2,-0.2 -5,-0.0 -2,-0.1 -0.395 61.4 122.3 -69.4 134.7 -49.0 16.3 33.8 40 54 A F - 0 0 62 -2,-0.2 2,-0.2 56,-0.0 -2,-0.1 -0.795 26.9-177.7 175.6 139.4 -51.7 19.0 33.3 41 55 A S - 0 0 88 -2,-0.2 2,-0.2 70,-0.0 68,-0.1 -0.802 15.9-145.1-140.9-179.3 -55.3 19.5 34.3 42 56 A L - 0 0 11 -2,-0.2 2,-0.2 66,-0.2 70,-0.1 -0.704 16.2-137.9-157.9 104.3 -58.4 21.8 34.0 43 57 A D - 0 0 133 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 -0.379 30.5-117.9 -64.4 122.6 -61.1 22.5 36.6 44 58 A L - 0 0 2 -2,-0.2 2,-0.6 1,-0.1 43,-0.2 -0.473 32.2-110.5 -64.6 126.0 -64.6 22.6 35.1 45 59 A V - 0 0 57 41,-1.2 2,-0.5 -2,-0.3 41,-0.5 -0.426 28.6-133.0 -64.0 107.8 -66.1 26.0 35.6 46 60 A D + 0 0 114 -2,-0.6 39,-0.1 1,-0.2 -1,-0.1 -0.485 34.9 168.3 -65.4 113.4 -68.9 25.6 38.1 47 61 A M - 0 0 39 37,-0.8 2,-0.2 -2,-0.5 -1,-0.2 0.937 55.2 -37.0 -92.7 -63.4 -71.9 27.5 36.6 48 62 A A B -B 84 0B 37 36,-0.5 36,-0.6 30,-0.0 -1,-0.2 -0.743 49.3-144.4-171.9 119.3 -75.1 26.7 38.5 49 63 A D + 0 0 153 -2,-0.2 33,-0.0 34,-0.1 -3,-0.0 -0.244 43.8 109.3 -78.3 173.1 -76.5 23.5 40.1 50 64 A G - 0 0 45 29,-0.1 29,-0.1 2,-0.0 -2,-0.0 -1.000 58.4 -13.5 158.8-157.6 -80.1 22.7 40.0 51 65 A P S S+ 0 0 81 0, 0.0 29,-0.3 0, 0.0 2,-0.2 -0.250 71.7 97.4 -72.9 166.5 -82.9 20.5 38.6 52 66 A G - 0 0 33 30,-0.2 30,-0.1 1,-0.1 3,-0.1 -0.698 52.7-138.7 137.5 167.5 -82.5 18.2 35.6 53 67 A E S S+ 0 0 160 -2,-0.2 2,-0.3 28,-0.2 29,-0.1 0.513 95.8 39.5-131.8 -29.0 -81.8 14.8 34.2 54 68 A V S S- 0 0 32 66,-0.1 68,-0.2 69,-0.0 69,-0.1 -0.737 78.5-152.1-132.4 85.8 -79.4 15.5 31.3 55 69 A T E -c 122 0B 4 66,-1.0 68,-2.0 -2,-0.3 2,-0.8 -0.210 15.2-125.0 -58.7 139.7 -76.9 18.3 32.1 56 70 A V E -cd 123 84B 6 27,-2.3 29,-1.5 66,-0.2 2,-0.8 -0.791 16.0-156.7 -94.3 107.2 -75.5 20.4 29.2 57 71 A I E -c 124 0B 1 -2,-0.8 68,-1.2 66,-0.8 2,-0.8 -0.736 12.3-166.3 -83.3 110.6 -71.7 20.3 29.0 58 72 A C E -c 125 0B 1 -2,-0.8 68,-0.2 66,-0.2 13,-0.1 -0.830 6.8-151.0-107.0 96.6 -70.9 23.5 27.1 59 73 A C - 0 0 0 66,-1.6 75,-0.1 -2,-0.8 8,-0.1 -0.170 24.7-103.0 -60.1 153.7 -67.2 23.6 25.9 60 74 A A - 0 0 0 27,-2.4 67,-0.2 1,-0.1 73,-0.1 -0.233 38.6-102.8 -73.7 170.1 -65.5 26.9 25.5 61 75 A G - 0 0 3 65,-0.1 -1,-0.1 28,-0.1 28,-0.1 -0.037 8.8-132.5 -84.2-169.5 -64.8 28.7 22.2 62 76 A T S S+ 0 0 9 65,-0.3 133,-0.1 5,-0.1 -1,-0.1 0.268 71.0 99.4-128.0 4.8 -61.8 29.1 20.0 63 77 A A S > S- 0 0 39 1,-0.1 3,-0.6 4,-0.0 -2,-0.0 -0.123 87.4 -97.6 -83.6-173.8 -61.9 32.8 19.3 64 78 A A T 3 S+ 0 0 7 1,-0.2 121,-0.2 125,-0.0 -1,-0.1 0.776 123.7 38.1 -74.3 -34.3 -60.0 35.7 20.9 65 79 A I T 3 S+ 0 0 61 119,-0.1 -1,-0.2 123,-0.0 116,-0.1 0.046 95.7 118.5-105.8 23.6 -62.8 36.6 23.3 66 80 A S < + 0 0 9 -3,-0.6 -6,-0.1 3,-0.1 3,-0.1 -0.124 23.8 108.5 -81.6-177.0 -63.9 33.0 24.0 67 81 A G S >> S- 0 0 9 1,-0.1 3,-2.3 -8,-0.1 4,-0.5 -0.367 82.7 -68.3 125.7 154.5 -63.9 31.1 27.3 68 82 A P T 34 S+ 0 0 19 0, 0.0 18,-0.1 0, 0.0 -1,-0.1 0.454 117.7 79.7 -53.7 -0.8 -66.5 29.8 29.8 69 83 A H T >4 S+ 0 0 55 1,-0.2 3,-1.0 2,-0.1 4,-0.2 0.794 86.3 55.2 -77.0 -32.2 -67.2 33.4 30.7 70 84 A E T X4 S+ 0 0 20 -3,-2.3 3,-1.6 1,-0.2 4,-0.4 0.917 96.5 64.7 -67.6 -38.7 -69.4 33.9 27.6 71 85 A F T 3X S+ 0 0 4 -4,-0.5 4,-1.2 1,-0.3 -1,-0.2 0.298 75.1 93.3 -68.8 11.4 -71.6 31.0 28.6 72 86 A T H <> S+ 0 0 76 -3,-1.0 4,-1.2 2,-0.2 -1,-0.3 0.865 82.6 53.8 -70.4 -36.1 -72.6 33.0 31.7 73 87 A R H X> S+ 0 0 153 -3,-1.6 4,-0.9 1,-0.2 3,-0.5 0.938 110.9 43.3 -62.1 -49.5 -75.6 34.2 29.7 74 88 A L H 3> S+ 0 0 17 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.724 105.7 65.7 -69.5 -22.8 -76.8 30.7 28.8 75 89 A A H 3< S+ 0 0 13 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 102.5 45.8 -66.0 -40.8 -76.2 29.6 32.4 76 90 A G H X< S+ 0 0 39 -4,-1.2 3,-0.8 -3,-0.5 -1,-0.2 0.739 109.0 57.7 -73.9 -25.4 -78.9 31.9 33.7 77 91 A A H 3< S+ 0 0 13 -4,-0.9 -2,-0.2 1,-0.2 4,-0.2 0.877 100.9 55.4 -71.6 -39.1 -81.3 30.7 31.0 78 92 A L T 3< S+ 0 0 9 -4,-1.7 2,-1.2 2,-0.1 4,-0.3 0.018 72.2 137.5 -85.3 29.3 -81.1 27.0 31.9 79 93 A R S < S+ 0 0 201 -3,-0.8 -29,-0.1 1,-0.2 -3,-0.1 -0.636 82.1 3.4 -80.8 97.5 -82.1 27.7 35.5 80 94 A G S S+ 0 0 43 -2,-1.2 -1,-0.2 -29,-0.3 -2,-0.1 -0.175 126.3 65.7 122.1 -38.6 -84.6 24.9 36.3 81 95 A I S S- 0 0 71 1,-0.2 -28,-0.2 -4,-0.2 -2,-0.1 0.969 115.1 -25.2 -75.8 -78.4 -84.3 23.0 33.0 82 96 A A - 0 0 4 -4,-0.3 -1,-0.2 -30,-0.1 -30,-0.2 -0.997 62.4-119.6-146.5 134.3 -80.7 21.7 32.8 83 97 A P - 0 0 22 0, 0.0 -27,-2.3 0, 0.0 2,-0.4 -0.014 23.8-127.1 -64.7 172.5 -77.4 22.8 34.4 84 98 A V B -Bd 48 56B 3 -36,-0.6 -37,-0.8 -29,-0.2 -36,-0.5 -0.991 17.6-173.6-129.2 126.7 -74.2 23.8 32.5 85 99 A R - 0 0 69 -29,-1.5 2,-0.5 -2,-0.4 -39,-0.1 -0.632 20.4-159.6-117.2 71.6 -70.7 22.4 33.0 86 100 A A - 0 0 0 -41,-0.5 -41,-1.2 -2,-0.4 -27,-0.2 -0.346 7.9-143.4 -59.1 108.1 -68.7 24.7 30.7 87 101 A V - 0 0 0 -2,-0.5 -27,-2.4 -43,-0.2 2,-0.4 -0.600 16.3-132.4 -76.6 119.2 -65.4 23.0 29.8 88 102 A P - 0 0 22 0, 0.0 -29,-0.1 0, 0.0 -1,-0.1 -0.604 11.9-130.9 -76.9 127.7 -62.5 25.6 29.6 89 103 A Q > - 0 0 7 -2,-0.4 3,-0.7 -28,-0.1 -28,-0.1 -0.612 28.8-127.8 -77.3 127.4 -60.2 25.4 26.6 90 104 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 -48,-0.1 -0.181 81.8 45.6 -71.0 169.9 -56.6 25.5 27.7 91 105 A G T 3 S+ 0 0 1 2,-0.2 100,-0.2 7,-0.1 4,-0.1 0.023 89.9 86.4 88.7 -26.7 -53.9 27.8 26.5 92 106 A Y S < S+ 0 0 10 -3,-0.7 2,-0.2 99,-0.1 95,-0.1 0.939 80.1 56.9 -73.8 -51.0 -56.0 31.0 26.8 93 107 A E S > S- 0 0 143 1,-0.1 3,-1.4 95,-0.1 -2,-0.2 -0.573 106.4 -75.1 -83.8 151.2 -55.4 32.0 30.4 94 108 A E T 3 S+ 0 0 158 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.016 112.1 19.5 -42.6 135.8 -51.9 32.6 31.8 95 109 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.0 -0.060 87.0 119.4 95.4 -33.2 -49.8 29.5 32.5 96 110 A E < - 0 0 41 -3,-1.4 -1,-0.2 1,-0.1 -56,-0.0 -0.559 53.8-135.8 -78.5 128.1 -51.5 26.8 30.4 97 111 A P - 0 0 14 0, 0.0 -64,-0.2 0, 0.0 -5,-0.1 -0.026 18.3-111.4 -68.0 178.4 -49.6 25.0 27.6 98 112 A L B -a 33 0A 0 -66,-1.8 -64,-1.5 -70,-0.2 -7,-0.1 -0.858 25.9-120.1-118.3 147.4 -50.7 24.2 24.0 99 113 A P - 0 0 6 0, 0.0 -64,-0.2 0, 0.0 -1,-0.1 -0.064 11.2-127.5 -77.6-179.7 -51.5 20.8 22.3 100 114 A S S S- 0 0 82 -66,-0.5 2,-0.2 1,-0.1 -65,-0.1 0.841 81.1 -26.9 -94.5 -47.5 -50.0 19.0 19.3 101 115 A S S >> S- 0 0 51 -66,-0.1 4,-0.6 98,-0.0 3,-0.5 -0.588 82.9 -69.9-146.0-156.0 -53.2 18.3 17.4 102 116 A M H >> S+ 0 0 9 96,-0.3 4,-2.1 1,-0.2 3,-0.6 0.835 126.2 59.2 -78.0 -37.2 -57.0 17.8 18.0 103 117 A A H 34 S+ 0 0 62 1,-0.2 -1,-0.2 2,-0.2 95,-0.0 0.246 102.8 57.0 -74.7 10.9 -56.5 14.4 19.7 104 118 A A H <> S+ 0 0 2 -3,-0.5 4,-0.7 3,-0.1 -1,-0.2 0.636 112.5 35.0-111.2 -28.7 -54.3 16.2 22.3 105 119 A V H > S+ 0 0 39 -5,-0.3 3,-1.3 2,-0.2 4,-1.2 0.972 106.0 47.0 -73.1 -55.3 -58.4 14.1 25.4 108 122 A V H 3X S+ 0 0 19 -4,-0.7 4,-0.7 1,-0.3 -2,-0.2 0.755 114.0 49.4 -57.7 -31.3 -57.4 16.2 28.4 109 123 A Q H 3X S+ 0 0 1 -4,-1.5 4,-0.9 1,-0.2 -1,-0.3 0.619 102.1 63.5 -83.1 -17.9 -60.8 17.8 28.5 110 124 A A H <> S+ 0 0 2 -3,-1.3 4,-1.3 -4,-0.4 -2,-0.2 0.832 95.0 59.8 -73.1 -33.5 -62.4 14.3 28.4 111 125 A D H X S+ 0 0 93 -4,-1.2 4,-1.7 1,-0.2 3,-0.3 0.910 104.2 48.8 -61.6 -45.0 -60.9 13.4 31.7 112 126 A A H X S+ 0 0 1 -4,-0.7 4,-1.5 1,-0.2 5,-0.3 0.813 105.5 60.0 -66.0 -30.7 -62.7 16.3 33.5 113 127 A V H X S+ 0 0 1 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.864 110.3 38.3 -67.2 -39.7 -66.0 15.4 32.0 114 128 A I H < S+ 0 0 37 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.836 110.5 61.8 -79.9 -35.1 -66.2 11.8 33.4 115 129 A R H < S+ 0 0 143 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.951 112.2 31.9 -55.7 -61.2 -64.7 12.7 36.8 116 130 A T H < S+ 0 0 58 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.1 0.777 122.1 55.2 -71.5 -25.5 -67.3 15.2 38.0 117 131 A Q < + 0 0 41 -4,-0.7 2,-0.5 -5,-0.3 -3,-0.2 0.876 60.9 156.1 -74.1-106.1 -70.1 13.4 36.2 118 132 A G S S+ 0 0 39 2,-0.2 -1,-0.1 -5,-0.2 -2,-0.1 -0.955 75.1 0.0 116.7-127.8 -70.7 9.7 36.8 119 133 A D S S+ 0 0 170 -2,-0.5 -1,-0.1 2,-0.0 -2,-0.0 0.334 105.9 108.6 -83.5 12.0 -74.1 8.0 36.3 120 134 A K - 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