==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-11 3VGG . COMPND 2 MOLECULE: MALTO-OLIGOSYLTREHALOSE TREHALOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR N.OKAZAKI,T.TAMADA,M.D.FEESE,M.KATO,Y.MIURA,T.KOMEDA,K.KOBAY . 554 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21913.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 366 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.6 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 2 1 1 0 0 1 1 2 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 1 4 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 6 2 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 0 1 2 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 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 4 A Y 0 0 11 0, 0.0 2,-0.3 0, 0.0 9,-0.2 0.000 360.0 360.0 360.0 164.5 -12.3 41.4 9.7 2 5 A K E -A 9 0A 104 7,-1.7 7,-2.3 0, 0.0 2,-0.9 -0.971 360.0-138.5-142.4 129.9 -12.2 45.3 9.7 3 6 A I E +A 8 0A 53 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.768 30.7 165.3 -89.3 101.1 -14.5 47.7 11.5 4 7 A D - 0 0 135 3,-1.6 -1,-0.2 -2,-0.9 4,-0.2 0.969 65.8 -41.7 -81.8 -64.1 -15.2 50.6 9.1 5 8 A G S S- 0 0 51 2,-1.0 40,-0.0 0, 0.0 -2,-0.0 0.107 114.2 -28.2-125.8-111.8 -18.3 52.5 10.6 6 9 A N S S+ 0 0 140 -2,-0.0 2,-0.3 -3,-0.0 41,-0.2 0.469 130.1 75.3 -74.7 -10.4 -21.3 50.8 12.1 7 10 A E - 0 0 76 39,-0.1 -3,-1.6 41,-0.0 -2,-1.0 -0.779 67.7-150.6-117.9 150.7 -20.4 48.0 9.7 8 11 A V E -AB 3 44A 5 36,-3.3 36,-2.9 -2,-0.3 2,-0.4 -0.970 8.1-146.2-126.3 131.9 -17.7 45.4 9.4 9 12 A I E -AB 2 43A 48 -7,-2.3 -7,-1.7 -2,-0.4 2,-0.5 -0.777 10.5-150.3 -94.4 135.6 -16.2 43.8 6.4 10 13 A F E - B 0 42A 1 32,-2.5 32,-1.1 -2,-0.4 2,-0.5 -0.946 12.4-172.0-106.7 129.6 -15.1 40.1 6.4 11 14 A T E + B 0 41A 56 -2,-0.5 2,-0.4 30,-0.2 30,-0.2 -0.980 7.1 174.0-123.4 119.5 -12.2 39.1 4.2 12 15 A L E - B 0 40A 3 28,-2.2 28,-3.1 -2,-0.5 2,-0.6 -0.989 22.1-146.0-127.7 120.7 -11.2 35.4 3.7 13 16 A W E + B 0 39A 12 -2,-0.4 26,-0.3 26,-0.2 25,-0.1 -0.785 37.8 147.0 -84.2 121.0 -8.5 34.3 1.3 14 17 A A > + 0 0 0 24,-3.1 3,-1.8 -2,-0.6 187,-0.2 -0.358 12.0 164.1-156.2 68.0 -9.5 31.0 -0.1 15 18 A P T 3 S+ 0 0 20 0, 0.0 186,-0.2 0, 0.0 23,-0.1 0.855 79.1 60.4 -61.9 -37.8 -8.5 30.3 -3.7 16 19 A Y T 3 S+ 0 0 119 184,-2.2 2,-0.3 22,-0.1 185,-0.2 0.687 94.7 88.8 -58.9 -15.5 -9.1 26.6 -3.5 17 20 A Q < - 0 0 13 -3,-1.8 3,-0.2 183,-0.7 -3,-0.1 -0.685 58.2-165.0 -97.2 139.9 -12.7 27.4 -2.7 18 21 A K S S- 0 0 172 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.894 80.8 -4.3 -82.1 -47.5 -15.6 27.9 -5.2 19 22 A S - 0 0 41 14,-0.0 2,-0.4 21,-0.0 -1,-0.3 -0.932 63.0-162.1-154.3 137.1 -17.9 29.6 -2.8 20 23 A V - 0 0 0 -2,-0.3 12,-1.7 12,-0.3 2,-0.4 -0.922 8.6-147.9-119.7 133.5 -17.9 30.4 0.9 21 24 A K E -DE 31 56B 49 35,-2.9 35,-3.0 -2,-0.4 2,-0.6 -0.840 11.9-139.7 -96.4 132.7 -20.7 31.3 3.3 22 25 A L E -DE 30 55B 0 8,-3.5 8,-4.1 -2,-0.4 2,-0.6 -0.825 22.8-166.4 -81.1 122.7 -20.2 33.6 6.3 23 26 A K E -DE 29 54B 52 31,-2.4 31,-1.9 -2,-0.6 2,-0.7 -0.934 7.2-166.7-118.5 108.7 -22.1 32.0 9.2 24 27 A V E >> -DE 28 53B 3 4,-1.2 3,-2.7 -2,-0.6 4,-1.8 -0.850 32.1-116.6 -94.7 114.2 -22.7 34.2 12.2 25 28 A L T 34 S+ 0 0 57 27,-1.0 27,-0.4 -2,-0.7 4,-0.0 -0.302 97.9 4.3 -53.0 125.4 -23.9 32.1 15.1 26 29 A E T 34 S+ 0 0 195 1,-0.1 -1,-0.3 25,-0.1 25,-0.0 0.275 127.3 67.3 83.0 -5.6 -27.5 33.3 16.0 27 30 A K T <4 S- 0 0 77 -3,-2.7 2,-0.3 1,-0.3 -2,-0.2 0.812 100.1 -86.9-111.2 -55.1 -27.6 35.8 13.1 28 31 A G E < -D 24 0B 29 -4,-1.8 -4,-1.2 2,-0.0 2,-0.4 -0.986 31.9 -83.6 171.5-165.9 -27.7 34.0 9.7 29 32 A L E -D 23 0B 97 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.3 -0.968 42.7-166.9-134.3 116.1 -25.7 32.5 6.9 30 33 A Y E -D 22 0B 59 -8,-4.1 -8,-3.5 -2,-0.4 2,-0.2 -0.895 18.5-128.9-116.9 132.1 -24.4 35.0 4.2 31 34 A E E -D 21 0B 107 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.560 28.3-140.3 -75.6 137.9 -23.0 34.3 0.8 32 35 A M - 0 0 7 -12,-1.7 2,-0.3 -2,-0.2 -12,-0.3 -0.772 10.7-116.9-105.1 148.2 -19.6 36.1 0.2 33 36 A E E -C 41 0A 149 8,-2.7 8,-3.1 -2,-0.3 2,-0.5 -0.616 26.7-144.8 -84.8 142.3 -18.4 37.8 -3.0 34 37 A R E -C 40 0A 95 -2,-0.3 2,-0.2 6,-0.2 6,-0.2 -0.903 6.5-157.9-115.9 123.7 -15.3 36.4 -4.8 35 38 A D > - 0 0 65 4,-2.4 3,-2.8 -2,-0.5 4,-0.3 -0.683 39.6-102.9 -93.3 157.0 -12.5 38.3 -6.7 36 39 A E T 3 S+ 0 0 166 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.609 118.5 63.5 -55.0 -16.7 -10.3 36.6 -9.3 37 40 A K T 3 S- 0 0 113 2,-0.1 -1,-0.3 -23,-0.0 -3,-0.0 0.522 121.4-101.2 -83.6 -11.0 -7.4 36.4 -6.8 38 41 A G S < S+ 0 0 0 -3,-2.8 -24,-3.1 1,-0.3 2,-0.4 0.506 75.8 138.4 102.3 6.9 -9.4 34.0 -4.5 39 42 A Y E -B 13 0A 53 -4,-0.3 -4,-2.4 -26,-0.3 2,-0.5 -0.709 37.6-155.9 -81.0 129.9 -10.5 36.6 -1.8 40 43 A F E -BC 12 34A 0 -28,-3.1 -28,-2.2 -2,-0.4 2,-0.3 -0.920 18.6-178.3-103.3 131.7 -14.1 36.3 -0.5 41 44 A T E +BC 11 33A 47 -8,-3.1 -8,-2.7 -2,-0.5 2,-0.2 -0.881 16.5 171.3-128.7 158.7 -15.7 39.5 1.0 42 45 A I E -B 10 0A 33 -32,-1.1 -32,-2.5 -2,-0.3 2,-0.6 -0.831 21.5-144.3-160.2 133.9 -18.9 40.8 2.7 43 46 A T E -B 9 0A 72 -34,-0.2 2,-0.3 -2,-0.2 -34,-0.2 -0.874 25.7-176.1 -98.7 120.1 -19.8 44.0 4.4 44 47 A L E -B 8 0A 11 -36,-2.9 -36,-3.3 -2,-0.6 -2,-0.0 -0.871 23.6-178.9-117.6 148.8 -22.2 43.5 7.3 45 48 A N S S+ 0 0 103 -2,-0.3 -1,-0.1 -38,-0.3 -36,-0.1 0.409 75.7 72.5-122.7 -5.8 -24.0 46.0 9.6 46 49 A N S S+ 0 0 69 -38,-0.1 2,-0.4 2,-0.0 -39,-0.1 0.170 79.6 106.7 -92.7 18.3 -25.9 43.7 12.0 47 50 A V + 0 0 9 -41,-0.2 2,-0.3 -39,-0.0 3,-0.0 -0.846 42.9 174.0-113.4 135.6 -22.7 42.7 13.7 48 51 A K > - 0 0 139 -2,-0.4 3,-2.0 1,-0.1 33,-0.2 -0.878 42.5 -69.8-133.4 161.2 -21.4 43.7 17.1 49 52 A V T 3 S+ 0 0 60 -2,-0.3 33,-0.2 1,-0.3 3,-0.1 -0.148 116.7 28.7 -53.7 142.2 -18.5 42.9 19.5 50 53 A R T 3 S+ 0 0 186 31,-2.9 -1,-0.3 1,-0.3 32,-0.1 0.197 84.5 136.9 85.1 -11.0 -18.7 39.4 21.0 51 54 A D < - 0 0 28 -3,-2.0 30,-2.9 29,-0.1 -1,-0.3 -0.295 45.1-140.5 -59.7 148.7 -20.5 37.9 18.0 52 55 A R E + F 0 80B 83 -27,-0.4 -27,-1.0 28,-0.2 2,-0.3 -0.792 25.1 168.4-115.5 158.0 -19.2 34.5 17.0 53 56 A Y E -EF 24 79B 1 26,-2.3 26,-2.3 -2,-0.3 12,-0.3 -0.988 19.9-168.5-160.7 160.0 -18.7 33.1 13.5 54 57 A K E -E 23 0B 30 -31,-1.9 -31,-2.4 -2,-0.3 2,-0.4 -0.892 28.2-117.3-138.5 172.7 -17.3 30.4 11.3 55 58 A Y E -EG 22 63B 0 8,-2.7 8,-2.1 -2,-0.3 2,-0.5 -0.962 21.9-146.9-111.3 136.6 -16.9 30.1 7.5 56 59 A V E -EG 21 62B 10 -35,-3.0 -35,-2.9 -2,-0.4 6,-0.2 -0.908 21.0-147.8-109.7 130.8 -18.7 27.3 5.6 57 60 A L > - 0 0 3 4,-3.0 3,-2.3 -2,-0.5 -37,-0.1 -0.118 35.0 -92.8 -92.6 174.7 -17.1 25.8 2.6 58 61 A D T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 -38,-0.1 0.914 129.1 60.6 -34.8 -50.6 -17.7 24.3 -0.8 59 62 A D T 3 S- 0 0 107 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.560 111.3-124.4 -53.6 -20.0 -17.5 21.2 1.4 60 63 A A S < S+ 0 0 74 -3,-2.3 -1,-0.1 1,-0.3 -2,-0.1 0.224 74.0 131.4 69.4 -7.3 -20.5 22.3 3.6 61 64 A S - 0 0 30 -5,-0.1 -4,-3.0 1,-0.1 -1,-0.3 -0.383 53.8-133.5 -71.6 153.3 -17.8 21.9 6.3 62 65 A E E +G 56 0B 78 -6,-0.2 -6,-0.2 -3,-0.1 -1,-0.1 -0.863 26.0 174.4-112.5 143.1 -17.4 24.7 8.8 63 66 A I E -G 55 0B 0 -8,-2.1 -8,-2.7 -2,-0.3 16,-0.1 -0.986 31.4-105.0-146.5 153.0 -14.1 26.2 10.0 64 67 A P - 0 0 2 0, 0.0 -10,-0.1 0, 0.0 132,-0.1 -0.478 50.5 -86.8 -78.5 156.6 -12.9 29.0 12.2 65 68 A D > - 0 0 1 -12,-0.3 3,-2.9 1,-0.2 15,-0.1 -0.394 31.8-149.2 -56.1 113.0 -11.5 32.3 10.7 66 69 A P T 3 S+ 0 0 7 0, 0.0 89,-0.4 0, 0.0 88,-0.3 0.754 102.6 49.7 -62.6 -15.6 -7.8 31.5 10.2 67 70 A A T 3 S+ 0 0 17 87,-0.1 -2,-0.1 86,-0.1 86,-0.1 0.152 87.1 154.3-101.0 16.1 -7.2 35.2 10.8 68 71 A S < - 0 0 0 -3,-2.9 87,-0.3 1,-0.2 3,-0.1 -0.069 40.4-155.3 -53.2 138.5 -9.4 35.0 13.9 69 72 A R S S+ 0 0 22 11,-0.3 88,-0.8 1,-0.3 2,-0.2 0.555 81.0 18.1 -88.1 -5.7 -8.7 37.6 16.6 70 73 A Y - 0 0 35 86,-0.2 10,-1.8 10,-0.1 -1,-0.3 -0.842 51.9-164.4-171.2 128.9 -10.1 35.3 19.3 71 74 A Q > - 0 0 0 86,-0.3 3,-2.2 -2,-0.2 88,-0.3 -0.743 13.4-179.0-118.6 79.1 -10.9 31.6 19.8 72 75 A P T 3 S+ 0 0 16 0, 0.0 -1,-0.2 0, 0.0 7,-0.1 0.783 83.4 34.6 -56.8 -34.2 -13.1 31.5 22.8 73 76 A E T 3 S- 0 0 120 5,-0.5 3,-0.4 1,-0.4 4,-0.3 -0.167 117.6-103.0-117.4 40.1 -13.5 27.7 22.8 74 77 A G X - 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0 0 47 -2,-1.6 2,-0.3 1,-0.1 -2,-0.1 -0.477 15.2-173.5 -64.2 93.6 -9.1 49.5 20.3 86 89 A K + 0 0 115 -2,-1.4 2,-0.4 155,-0.0 -1,-0.1 -0.144 26.8 136.0 -97.3 35.7 -6.1 50.5 18.1 87 90 A E + 0 0 118 -2,-0.3 2,-0.3 153,-0.2 -2,-0.0 -0.684 19.5 157.8 -83.0 130.4 -4.0 52.9 20.3 88 91 A F - 0 0 66 -2,-0.4 151,-0.1 153,-0.1 150,-0.0 -0.968 43.7-111.2-150.1 140.0 -0.3 52.3 20.2 89 92 A N - 0 0 97 -2,-0.3 3,-0.1 1,-0.1 153,-0.0 -0.367 25.6-127.9 -62.1 155.4 2.5 54.6 21.0 90 93 A N S S+ 0 0 120 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.658 90.9 32.2 -81.4 -9.5 4.5 55.6 18.0 91 94 A E S S- 0 0 119 184,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.997 76.6-125.1-148.2 132.1 7.6 54.6 19.7 92 95 A T - 0 0 14 182,-1.2 88,-0.0 -2,-0.3 151,-0.0 -0.546 14.6-144.1 -69.2 143.1 8.8 52.0 22.3 93 96 A F + 0 0 104 -2,-0.2 2,-0.2 86,-0.1 -1,-0.1 0.696 69.1 110.2 -78.0 -20.8 10.7 53.5 25.3 94 97 A L - 0 0 17 1,-0.1 2,-0.5 85,-0.0 -2,-0.1 -0.370 58.5-153.0 -54.1 121.2 13.0 50.4 25.3 95 98 A K > - 0 0 124 -2,-0.2 3,-1.7 1,-0.1 4,-0.2 -0.903 10.2-143.0 -96.6 125.0 16.6 51.2 24.3 96 99 A K G > S+ 0 0 53 -2,-0.5 3,-1.9 1,-0.3 -1,-0.1 0.908 101.2 61.2 -49.9 -46.0 18.3 48.1 22.8 97 100 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 390,-0.1 0.798 108.9 44.8 -52.0 -26.7 21.6 49.1 24.4 98 101 A D G < S+ 0 0 79 -3,-1.7 -1,-0.3 309,-0.0 2,-0.3 0.270 83.2 136.6-102.8 7.6 19.8 48.8 27.9 99 102 A L < + 0 0 1 -3,-1.9 2,-0.4 -4,-0.2 -3,-0.1 -0.414 22.1 169.6 -75.5 122.8 17.9 45.5 27.3 100 103 A I - 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0 0 33 70,-0.2 3,-1.9 1,-0.1 4,-0.3 -0.968 56.4-149.6-129.6 113.9 25.4 34.0 9.8 286 289 A P G >> S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 3,-1.2 0.630 86.9 87.3 -59.5 -12.3 25.8 37.8 10.4 287 290 A R G 34 S+ 0 0 115 1,-0.3 10,-2.6 2,-0.2 11,-0.4 0.810 81.0 58.9 -54.4 -33.0 23.4 38.3 7.5 288 291 A V G <4 S+ 0 0 0 -3,-1.9 11,-1.7 8,-0.2 -1,-0.3 0.865 120.8 25.2 -63.1 -30.6 20.5 38.0 9.9 289 292 A V T <4 S+ 0 0 3 -3,-1.2 -2,-0.2 -4,-0.3 -1,-0.2 0.565 96.2 105.9-122.0 -12.6 21.7 41.0 11.8 290 293 A N S < S- 0 0 23 -4,-2.6 8,-1.7 1,-0.1 9,-0.2 -0.279 76.6 -97.4 -67.4 152.4 23.9 43.1 9.4 291 294 A P > > - 0 0 25 0, 0.0 5,-2.2 0, 0.0 3,-1.5 -0.312 33.0-109.6 -69.0 159.9 22.6 46.3 8.0 292 295 A K G > 5S+ 0 0 84 1,-0.3 3,-3.1 3,-0.2 -2,-0.1 0.903 119.7 58.2 -54.0 -43.6 21.0 46.4 4.6 293 296 A E G 3 5S+ 0 0 171 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.691 107.5 49.6 -68.0 -13.0 24.0 48.3 3.1 294 297 A K G < 5S- 0 0 118 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.192 127.8-102.3-107.3 21.8 26.0 45.3 4.3 295 298 A C T < 5S+ 0 0 113 -3,-3.1 -3,-0.2 1,-0.2 2,-0.2 0.659 80.8 126.5 75.6 22.1 23.5 42.8 2.7 296 299 A G S > + 0 0 1 63,-2.6 4,-1.0 1,-0.1 3,-0.7 -0.842 16.4 178.1-115.9 95.9 23.8 33.1 20.2 305 308 A D H 3> S+ 0 0 34 -2,-0.6 4,-3.6 -24,-0.3 5,-0.3 0.783 75.6 73.9 -61.2 -26.3 23.7 29.4 21.4 306 309 A D H 3> S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.909 95.2 50.8 -61.3 -38.6 27.4 29.2 21.1 307 310 A F H <> S+ 0 0 1 -3,-0.7 4,-1.7 1,-0.2 5,-0.2 0.995 114.5 42.6 -56.5 -65.3 27.8 31.4 24.2 308 311 A H H X S+ 0 0 1 -4,-1.0 4,-2.9 1,-0.2 -2,-0.2 0.883 114.9 49.7 -45.5 -49.5 25.4 29.2 26.2 309 312 A H H X S+ 0 0 7 -4,-3.6 4,-2.9 1,-0.2 5,-0.4 0.939 106.2 56.7 -62.4 -44.1 26.9 25.9 24.9 310 313 A S H X S+ 0 0 1 -4,-2.5 4,-1.5 -5,-0.3 22,-0.3 0.868 114.0 39.3 -46.0 -46.8 30.4 26.9 25.7 311 314 A I H X S+ 0 0 4 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.949 118.2 45.8 -74.6 -52.3 29.5 27.5 29.3 312 315 A H H X S+ 0 0 3 -4,-2.9 4,-3.0 -5,-0.2 5,-0.4 0.959 114.9 45.7 -59.6 -57.1 27.2 24.6 29.7 313 316 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.917 116.8 45.7 -49.6 -51.4 29.5 22.0 28.1 314 317 A Y H < S+ 0 0 48 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.947 119.2 38.8 -57.6 -59.4 32.6 23.2 29.9 315 318 A L H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.846 124.2 38.6 -64.7 -40.5 31.0 23.5 33.4 316 319 A T H < S- 0 0 30 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.689 92.6-133.5 -86.2 -24.1 28.9 20.3 33.1 317 320 A G < + 0 0 46 -4,-2.4 2,-0.1 -5,-0.4 -4,-0.1 0.471 55.3 150.6 80.4 -1.0 31.3 18.0 31.3 318 321 A E + 0 0 38 -6,-0.4 -1,-0.3 -5,-0.2 8,-0.1 -0.398 22.9 167.5 -74.1 139.3 28.3 17.1 29.1 319 322 A R + 0 0 102 -2,-0.1 5,-0.2 -3,-0.1 -1,-0.1 0.313 29.7 125.0-133.1 8.2 28.8 16.0 25.5 320 323 A Q S > S- 0 0 97 3,-0.2 3,-1.5 4,-0.1 4,-0.2 -0.359 78.2 -21.0 -66.1 151.5 25.5 14.6 24.1 321 324 A G G > S+ 0 0 46 1,-0.3 3,-2.0 2,-0.2 4,-0.3 -0.139 136.6 0.6 56.1-138.3 24.1 16.1 21.0 322 325 A Y G > S+ 0 0 68 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.745 119.8 75.6 -62.4 -22.9 25.2 19.6 20.1 323 326 A Y G X S+ 0 0 7 -3,-1.5 3,-2.6 1,-0.3 -1,-0.3 0.703 75.1 79.5 -57.4 -23.4 27.5 19.7 23.2 324 327 A T G < S+ 0 0 67 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.872 86.3 60.0 -55.7 -31.3 29.9 17.4 21.3 325 328 A D G < S+ 0 0 8 -3,-1.7 -1,-0.3 -4,-0.3 2,-0.2 0.349 112.3 40.4 -75.3 5.9 31.1 20.5 19.5 326 329 A F < + 0 0 15 -3,-2.6 -16,-0.1 -8,-0.1 -15,-0.0 -0.669 48.4 117.9-140.2-170.5 32.1 22.2 22.8 327 330 A G + 0 0 4 1,-0.4 2,-0.1 -2,-0.2 -10,-0.1 -0.001 53.9 103.3 133.1 -32.6 33.8 21.4 26.1 328 331 A N S >> S- 0 0 97 1,-0.1 4,-1.0 4,-0.0 3,-0.6 -0.462 70.0-128.7 -87.0 158.5 36.9 23.6 26.3 329 332 A L H >> S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 3,-0.6 0.921 111.3 65.4 -60.7 -43.8 37.7 26.7 28.2 330 333 A D H 3> S+ 0 0 99 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.816 93.2 59.6 -39.4 -44.4 39.0 28.0 24.9 331 334 A D H <> S+ 0 0 15 -3,-0.6 4,-2.8 1,-0.2 5,-0.2 0.927 104.9 48.7 -64.7 -43.8 35.4 27.8 23.5 332 335 A I H X S+ 0 0 50 -4,-3.5 4,-3.0 1,-0.2 3,-1.2 0.970 112.1 43.0 -53.1 -57.0 36.3 32.4 21.8 335 338 A S H 3X S+ 0 0 0 -4,-2.8 4,-0.8 1,-0.3 -1,-0.2 0.814 109.8 59.9 -62.2 -29.0 32.7 33.1 22.2 336 339 A Y H 3< S+ 0 0 2 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.791 121.0 23.1 -68.7 -26.9 33.6 36.0 24.6 337 340 A K H << S+ 0 0 90 -4,-1.5 -2,-0.2 -3,-1.2 -3,-0.2 0.742 133.4 30.6-117.1 -20.9 35.6 37.7 22.0 338 341 A D H < S- 0 0 70 -4,-3.0 2,-3.2 -5,-0.2 20,-0.3 0.062 89.4-137.1-117.5 17.0 34.4 36.6 18.5 339 342 A V S < S+ 0 0 0 -4,-0.8 2,-0.4 -5,-0.3 -32,-0.1 -0.245 82.6 65.7 60.3 -63.3 30.7 36.0 19.4 340 343 A F - 0 0 1 -2,-3.2 3,-0.3 1,-0.2 18,-0.1 -0.746 57.6-166.7 -90.6 132.5 30.4 32.7 17.4 341 344 A V S S+ 0 0 1 -2,-0.4 2,-1.3 1,-0.3 -1,-0.2 0.902 95.5 50.9 -75.2 -45.0 32.5 29.6 18.4 342 345 A Y + 0 0 12 1,-0.1 14,-0.4 2,-0.1 -1,-0.3 -0.740 69.2 152.5 -92.1 89.6 31.5 28.2 15.0 343 346 A D S S- 0 0 41 -2,-1.3 12,-0.3 12,-0.3 -1,-0.1 -0.160 86.5 -38.8-105.5 31.4 32.6 31.2 12.8 344 347 A G S S+ 0 0 36 10,-2.4 2,-0.3 1,-0.3 11,-0.2 0.732 106.0 121.3 111.9 40.6 33.3 29.1 9.7 345 348 A K E -S 354 0G 86 9,-1.6 9,-2.8 7,-0.1 2,-0.3 -0.838 69.0 -77.9-128.8 169.7 34.9 26.0 11.0 346 349 A Y E -S 353 0G 127 -2,-0.3 2,-0.7 7,-0.2 7,-0.3 -0.480 37.8-157.0 -71.5 124.2 34.1 22.2 10.9 347 350 A S E >> -S 352 0G 0 5,-2.8 4,-3.3 -2,-0.3 5,-0.9 -0.900 9.4-164.5-101.0 115.9 31.4 21.0 13.2 348 351 A N T 45S+ 0 0 110 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.838 94.6 55.7 -61.6 -34.6 31.5 17.2 14.0 349 352 A F T 45S+ 0 0 82 1,-0.2 -1,-0.2 -27,-0.2 -26,-0.1 0.932 121.3 27.4 -61.7 -43.6 28.0 17.5 15.3 350 353 A R T 45S- 0 0 60 2,-0.2 -2,-0.2 -28,-0.1 -1,-0.2 0.726 98.2-135.4 -93.0 -23.4 26.8 18.9 11.9 351 354 A R T <5S+ 0 0 182 -4,-3.3 2,-0.3 1,-0.3 -3,-0.2 0.962 73.6 71.1 63.4 58.0 29.4 17.3 9.6 352 355 A K E - 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