==== 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 HYDROLASE 05-AUG-09 3IK2 . COMPND 2 MOLECULE: ENDOGLUCANASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR C.D.WARNER,J.A.HOY,C.F.FORD,R.B.HONZATKO,P.J.REILLY . 512 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 3 1 0 0 1 0 1 3 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 2 0 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 PARALLEL BRIDGES PER LADDER . 2 4 2 2 0 1 1 2 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 3 0 1 0 1 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 1 A M 0 0 72 0, 0.0 454,-3.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 162.8 27.4 36.1 -6.5 2 2 A D E -a 455 0A 109 452,-0.2 2,-0.4 454,-0.1 454,-0.2 -0.921 360.0-176.5-110.2 137.5 30.0 38.0 -4.5 3 3 A V E -a 456 0A 1 452,-2.7 454,-2.8 -2,-0.4 2,-0.4 -0.999 16.3-141.6-132.1 130.8 29.4 39.3 -1.0 4 4 A N E -a 457 0A 80 -2,-0.4 418,-1.9 452,-0.2 2,-0.5 -0.766 11.6-164.7 -91.1 139.6 31.8 41.4 1.1 5 5 A V E -aB 458 421A 0 452,-2.9 454,-3.4 -2,-0.4 2,-0.7 -0.959 1.4-165.6-127.7 115.2 32.1 40.8 4.8 6 6 A N E -aB 459 420A 77 414,-2.4 414,-2.4 -2,-0.5 2,-0.4 -0.875 8.1-174.0-103.9 110.1 33.8 43.4 6.9 7 7 A I E -aB 460 419A 3 452,-2.8 454,-4.1 -2,-0.7 2,-0.4 -0.862 9.9-176.5-104.2 135.4 34.8 42.3 10.4 8 8 A D E > -aB 461 418A 36 410,-1.9 3,-1.6 -2,-0.4 410,-0.9 -0.903 9.1-167.8-128.7 108.0 36.2 44.7 13.1 9 9 A T T 3 S+ 0 0 17 452,-2.0 453,-0.1 -2,-0.4 -1,-0.1 0.532 90.5 51.6 -72.8 -2.9 37.3 42.9 16.3 10 10 A N T 3 S+ 0 0 124 451,-0.4 2,-0.3 408,-0.1 -1,-0.3 0.196 101.6 75.2-116.7 9.5 37.6 46.3 18.0 11 11 A A S < S+ 0 0 24 -3,-1.6 407,-2.5 1,-0.1 -3,-0.2 -0.955 96.9 1.9-126.4 150.9 34.1 47.6 17.1 12 12 A E S S- 0 0 112 -2,-0.3 2,-0.1 405,-0.2 -1,-0.1 0.811 77.7-175.2 50.2 44.0 30.5 47.0 18.2 13 13 A K + 0 0 112 404,-0.1 2,-0.4 -3,-0.1 404,-0.2 -0.425 6.1 178.9 -72.0 138.1 31.6 44.5 20.8 14 14 A Q E -E 416 0B 80 402,-2.3 402,-3.0 -2,-0.1 2,-0.2 -0.966 30.8-120.7-146.1 123.0 28.8 42.8 22.7 15 15 A A E -E 415 0B 78 -2,-0.4 2,-0.6 400,-0.2 400,-0.2 -0.444 27.2-140.5 -56.5 124.6 29.0 40.1 25.4 16 16 A I - 0 0 12 398,-3.0 359,-0.1 -2,-0.2 364,-0.1 -0.858 16.7-128.7 -87.7 119.6 27.1 37.0 24.2 17 17 A S > - 0 0 19 -2,-0.6 3,-1.1 362,-0.5 362,-0.1 -0.502 10.2-138.8 -65.3 130.5 25.1 35.5 27.1 18 18 A P G > S+ 0 0 72 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.721 93.6 70.4 -62.6 -17.5 26.0 31.8 27.4 19 19 A Y G 3 + 0 0 39 361,-0.5 363,-1.7 1,-0.2 3,-0.4 0.330 68.7 89.1 -91.9 9.5 22.3 30.9 28.0 20 20 A I G < S+ 0 0 0 -3,-1.1 2,-0.3 361,-0.3 -1,-0.2 0.595 75.8 70.1 -71.7 -15.2 20.9 31.6 24.5 21 21 A Y S < S+ 0 0 10 -3,-0.8 12,-1.7 362,-0.1 13,-0.6 -0.253 79.0 128.0-100.0 44.2 21.7 28.0 23.4 22 22 A G E -kl 34 383C 0 360,-1.6 362,-1.8 -3,-0.4 2,-0.3 -0.435 40.4-155.1-102.2 170.7 19.0 26.4 25.5 23 23 A T E -kl 35 384C 1 11,-2.5 13,-1.8 360,-0.3 362,-0.2 -0.975 26.1-153.1-142.0 156.8 16.1 24.0 25.0 24 24 A N S S+ 0 0 10 360,-2.4 2,-0.4 -2,-0.3 14,-0.2 0.476 96.6 45.0 -91.3 -17.1 12.6 23.0 26.5 25 25 A Q S S- 0 0 43 359,-0.4 -1,-0.2 12,-0.1 359,-0.1 -0.997 91.9-115.6-135.2 126.4 13.2 19.5 25.0 26 26 A D - 0 0 49 -2,-0.4 2,-0.3 -3,-0.1 -2,-0.0 -0.317 25.8-134.3 -61.9 143.7 16.3 17.4 25.1 27 27 A F - 0 0 24 3,-0.4 3,-0.5 1,-0.1 5,-0.1 -0.762 9.9-134.5 -99.4 139.8 18.2 16.6 21.9 28 28 A S S S+ 0 0 116 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.895 101.9 1.7 -58.8 -40.6 19.5 13.1 21.1 29 29 A N S S+ 0 0 118 2,-0.0 2,-0.4 -3,-0.0 -1,-0.2 -0.309 100.1 107.7-148.8 63.0 22.8 14.7 20.0 30 30 A A - 0 0 17 -3,-0.5 2,-0.4 369,-0.1 -3,-0.4 -0.982 61.8-119.3-144.7 130.5 23.0 18.5 20.3 31 31 A K - 0 0 70 -2,-0.4 2,-0.3 365,-0.2 372,-0.2 -0.507 35.5-179.4 -64.7 117.3 25.0 20.7 22.8 32 32 A V - 0 0 13 -2,-0.4 -10,-0.2 62,-0.1 3,-0.1 -0.867 25.4-167.6-119.4 159.8 22.8 22.9 25.0 33 33 A T S S+ 0 0 18 -12,-1.7 65,-0.5 -2,-0.3 2,-0.3 0.342 74.9 33.5-122.5 0.7 23.7 25.5 27.7 34 34 A A E -k 22 0C 0 -13,-0.6 -11,-2.5 63,-0.1 2,-0.3 -0.979 59.1-164.0-158.0 144.6 20.2 26.1 29.2 35 35 A R E -km 23 99C 6 63,-2.3 65,-3.2 -2,-0.3 2,-0.4 -0.996 4.8-159.5-136.2 140.6 17.1 24.1 29.9 36 36 A R E - m 0 100C 0 -13,-1.8 2,-0.6 -2,-0.3 65,-0.2 -0.961 11.9-161.6-116.2 138.5 13.5 25.1 30.8 37 37 A I E + m 0 101C 0 63,-2.7 65,-1.0 -2,-0.4 2,-0.2 -0.983 58.3 92.5-110.2 112.8 10.6 23.2 32.4 38 38 A G + 0 0 2 -2,-0.6 3,-0.4 -14,-0.2 2,-0.1 -0.870 26.3 102.4-170.5-163.2 7.6 25.2 31.4 39 39 A G S >> S- 0 0 0 -2,-0.2 3,-1.7 139,-0.2 4,-0.6 -0.438 89.9 -27.8 92.0-166.8 4.8 25.7 28.9 40 40 A N G >4 S+ 0 0 33 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.743 131.1 57.8 -59.9 -31.1 1.1 24.8 29.1 41 41 A R G 34 S+ 0 0 27 -3,-0.4 12,-0.3 1,-0.2 -1,-0.3 0.653 94.8 69.1 -74.8 -17.8 1.5 21.9 31.5 42 42 A S G X4 S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.2 -1,-0.2 0.830 83.4 70.1 -67.3 -35.2 3.2 24.1 34.1 43 43 A T T << S+ 0 0 1 -4,-0.6 64,-0.3 -3,-0.6 63,-0.3 0.867 111.9 26.3 -60.2 -43.3 0.0 26.1 35.0 44 44 A G T 3 S+ 0 0 0 -4,-0.4 66,-2.8 9,-0.4 2,-0.3 0.193 87.4 133.9-108.5 16.2 -1.8 23.3 36.7 45 45 A Y < - 0 0 0 -3,-1.3 2,-0.6 64,-0.2 7,-0.2 -0.538 45.8-148.5 -64.9 126.7 1.2 21.3 37.9 46 46 A N > - 0 0 0 5,-2.9 4,-2.3 -2,-0.3 3,-0.5 -0.886 6.7-163.0-102.7 114.5 0.9 20.2 41.5 47 47 A W T 4 S+ 0 0 0 -2,-0.6 34,-3.2 1,-0.2 35,-0.3 0.741 84.7 63.1 -73.9 -25.2 4.3 20.0 43.2 48 48 A E T 4 S+ 0 0 4 32,-0.2 -1,-0.2 1,-0.1 97,-0.1 0.842 127.1 6.3 -66.2 -36.3 3.0 17.9 46.1 49 49 A N T 4 S- 0 0 25 -3,-0.5 -2,-0.2 61,-0.2 -1,-0.1 0.444 94.3-119.1-130.6 -4.0 2.0 14.9 44.0 50 50 A N < + 0 0 0 -4,-2.3 17,-0.4 1,-0.3 16,-0.3 0.470 62.3 144.5 75.1 4.4 3.2 15.7 40.4 51 51 A D + 0 0 10 -5,-0.2 -5,-2.9 59,-0.2 2,-0.3 -0.368 22.1 173.9 -64.0 149.8 -0.3 15.7 38.9 52 52 A S E -S 63 0D 0 11,-1.5 11,-2.2 -7,-0.2 2,-0.4 -0.959 25.8-125.9-152.1 170.5 -1.0 18.1 36.1 53 53 A N E -S 62 0D 1 -12,-0.3 -9,-0.4 -2,-0.3 9,-0.2 -0.987 5.7-148.6-129.1 131.3 -3.7 19.0 33.6 54 54 A A > - 0 0 2 7,-2.4 3,-1.2 -2,-0.4 5,-0.1 0.682 32.2-160.1 -66.1 -20.4 -3.3 19.3 29.8 55 55 A G G > > - 0 0 0 1,-0.2 5,-2.5 3,-0.2 3,-1.7 -0.321 63.4 -24.6 61.0-152.8 -5.9 22.0 29.5 56 56 A T G 3 5S+ 0 0 74 131,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.592 128.4 76.5 -73.2 -8.2 -7.4 22.4 26.0 57 57 A D G < 5S+ 0 0 94 -3,-1.2 -1,-0.3 130,-0.3 -2,-0.2 0.770 116.3 14.4 -63.6 -28.1 -4.2 20.9 24.3 58 58 A W T X 5S- 0 0 142 -3,-1.7 3,-1.9 -4,-0.1 -4,-0.3 -0.404 121.0 -73.0-156.2 70.7 -5.5 17.5 25.5 59 59 A K T 3 5S- 0 0 120 -3,-0.5 58,-0.6 1,-0.3 -3,-0.2 0.639 81.1 -75.5 61.1 27.1 -9.1 17.1 26.7 60 60 A N T 3 S+ 0 0 57 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 0.064 73.0 128.7 -96.9 23.6 0.7 11.6 35.3 65 65 A Y H > S+ 0 0 96 1,-0.3 4,-2.8 -13,-0.2 5,-0.2 0.867 72.4 47.0 -52.4 -46.6 2.1 13.2 32.0 66 66 A W H > S+ 0 0 5 -3,-0.3 4,-1.9 -16,-0.3 -1,-0.3 0.880 107.6 57.5 -68.9 -34.0 4.9 15.1 33.6 67 67 A L H 4>S+ 0 0 0 -3,-0.4 5,-2.2 -17,-0.4 -1,-0.2 0.909 114.4 38.6 -55.6 -44.1 6.0 12.1 35.7 68 68 A T H ><5S+ 0 0 70 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.933 113.3 54.1 -75.2 -45.9 6.5 10.1 32.4 69 69 A L H 3<5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.834 113.3 43.1 -54.2 -39.7 7.9 12.9 30.3 70 70 A Y T 3<5S- 0 0 32 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.333 111.1-120.6 -97.9 8.5 10.6 13.6 32.9 71 71 A D T < 5 + 0 0 121 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.843 43.8 176.4 62.7 37.6 11.4 9.9 33.5 72 72 A V < - 0 0 8 -5,-2.2 -1,-0.2 -6,-0.2 5,-0.1 -0.605 33.2-117.1 -70.3 128.1 10.6 10.0 37.2 73 73 A P > - 0 0 51 0, 0.0 3,-2.7 0, 0.0 4,-0.4 -0.382 24.8-110.9 -69.6 151.7 10.9 6.4 38.6 74 74 A K G > S+ 0 0 160 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.790 116.1 60.7 -57.8 -25.2 7.7 4.9 40.0 75 75 A E G 3 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.606 105.9 47.5 -83.0 -7.2 9.0 5.0 43.5 76 76 A K G X S+ 0 0 81 -3,-2.7 3,-1.3 1,-0.1 -1,-0.3 0.346 78.7 105.0-103.2 6.1 9.4 8.8 43.3 77 77 A Y T < S+ 0 0 82 -3,-1.1 -2,-0.1 -4,-0.4 -1,-0.1 0.815 91.7 35.4 -53.2 -33.0 5.9 9.4 41.8 78 78 A N T 3 S+ 0 0 134 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.357 90.5 111.3-107.0 1.1 4.7 10.7 45.2 79 79 A E S X S- 0 0 57 -3,-1.3 3,-1.8 -30,-0.1 4,-0.2 -0.618 82.2-101.0 -69.6 127.8 7.9 12.4 46.2 80 80 A P T 3 S- 0 0 21 0, 0.0 -32,-0.2 0, 0.0 -33,-0.1 -0.282 99.2 -3.3 -53.9 135.8 7.4 16.3 46.2 81 81 A A T 3> S+ 0 0 0 -34,-3.2 4,-3.0 1,-0.1 3,-0.4 0.614 82.6 147.3 58.2 18.5 8.7 18.0 43.0 82 82 A S H <> S+ 0 0 3 -3,-1.8 4,-2.2 -35,-0.3 5,-0.2 0.809 70.6 55.9 -54.1 -31.3 10.1 14.7 41.7 83 83 A V H > S+ 0 0 0 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 112.4 41.2 -63.0 -49.1 9.4 16.0 38.2 84 84 A Y H > S+ 0 0 0 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.834 115.0 50.4 -70.1 -37.2 11.5 19.2 38.8 85 85 A T H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.914 110.5 49.0 -71.3 -36.1 14.3 17.3 40.7 86 86 A A H X S+ 0 0 27 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.969 114.9 48.3 -60.5 -48.7 14.6 14.8 37.9 87 87 A F H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 3,-0.3 0.952 116.0 39.6 -52.8 -59.2 14.7 17.7 35.5 88 88 A H H X S+ 0 0 5 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.840 111.6 58.4 -67.9 -31.5 17.4 19.8 37.4 89 89 A D H X S+ 0 0 64 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.873 107.3 48.1 -58.6 -40.7 19.4 16.6 38.2 90 90 A K H X S+ 0 0 89 -4,-1.8 4,-2.0 -3,-0.3 6,-0.3 0.895 107.5 55.0 -69.2 -41.4 19.7 16.0 34.5 91 91 A S H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.931 112.1 44.9 -51.5 -49.6 20.7 19.6 33.9 92 92 A L H ><5S+ 0 0 57 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.897 111.7 50.8 -64.5 -42.8 23.5 19.0 36.4 93 93 A A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.789 111.6 49.5 -61.3 -33.4 24.5 15.6 35.0 94 94 A M T 3<5S- 0 0 74 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.516 114.1-116.7 -84.0 -8.6 24.7 17.2 31.5 95 95 A G T < 5 + 0 0 61 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.695 57.8 160.8 75.7 19.3 26.9 20.1 32.7 96 96 A V < - 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p 0 276C 0 49,-1.5 51,-2.3 -46,-0.2 -1,-0.1 -0.449 16.4-136.8 -72.9 136.6 3.7 36.2 26.9 227 227 A F - 0 0 51 -2,-0.2 52,-0.3 49,-0.2 2,-0.3 0.677 65.3 -45.0 -66.8 -22.7 2.5 33.9 24.1 228 228 A G S >> S- 0 0 9 50,-0.1 4,-1.6 1,-0.1 3,-1.3 -0.984 78.5 -50.5 162.9 177.6 3.0 36.2 21.1 229 229 A F H 3> S+ 0 0 5 1,-0.3 4,-1.7 -2,-0.3 6,-0.2 0.804 121.8 61.5 -59.3 -36.4 2.6 39.6 19.6 230 230 A S H 3> S+ 0 0 23 1,-0.2 6,-1.9 2,-0.2 4,-1.8 0.875 108.9 43.5 -55.4 -40.3 -1.1 39.9 20.5 231 231 A A H <> S+ 0 0 0 -3,-1.3 4,-1.0 4,-0.3 -1,-0.2 0.798 111.7 53.9 -72.2 -33.9 -0.3 39.6 24.2 232 232 A F H < S+ 0 0 0 -4,-1.6 20,-1.6 2,-0.1 19,-0.7 0.796 113.8 45.9 -61.8 -30.9 2.7 42.0 23.8 233 233 A N H < S- 0 0 36 -4,-1.7 18,-2.0 -5,-0.2 -2,-0.2 0.988 140.8 -15.2 -85.6 -68.9 0.3 44.5 22.2 234 234 A D H X S- 0 0 41 -4,-1.8 4,-2.2 16,-0.2 7,-0.2 -0.032 96.1 -95.4-131.8 31.3 -2.9 44.7 24.3 235 235 A F T < S- 0 0 2 -4,-1.0 -4,-0.3 2,-0.2 -39,-0.1 0.889 86.1 -52.9 50.2 46.0 -2.5 41.6 26.5 236 236 A N T 4 S- 0 0 46 -6,-1.9 -1,-0.2 1,-0.2 -5,-0.2 0.953 108.4 -47.9 59.1 56.8 -4.7 39.6 24.1 237 237 A S T 4 S- 0 0 66 -7,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 81.6-161.7 47.2 53.0 -7.6 42.1 24.1 238 238 A S >< - 0 0 11 -4,-2.2 3,-1.5 1,-0.1 4,-0.5 -0.388 21.0-128.7 -61.3 134.7 -7.6 42.3 27.9 239 239 A P T 3 S+ 0 0 82 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.806 108.5 42.8 -57.9 -30.9 -10.9 43.7 29.2 240 240 A D T 3> S+ 0 0 17 -44,-0.2 4,-1.0 1,-0.1 3,-0.3 0.432 85.7 97.3 -94.0 2.1 -9.0 46.3 31.4 241 241 A W H X> S+ 0 0 18 -3,-1.5 4,-1.8 1,-0.2 3,-1.1 0.922 79.4 55.0 -59.0 -47.0 -6.4 47.3 28.7 242 242 A S H 3> S+ 0 0 113 -4,-0.5 4,-0.6 1,-0.3 -1,-0.2 0.878 110.2 46.5 -50.7 -45.4 -8.3 50.4 27.6 243 243 A S H 34 S+ 0 0 101 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 0.617 119.8 37.5 -76.5 -15.0 -8.5 51.8 31.1 244 244 A V H << S+ 0 0 38 -3,-1.1 -2,-0.2 -4,-1.0 -1,-0.2 0.507 95.6 85.6-111.3 -6.6 -4.8 51.2 32.0 245 245 A K H >< + 0 0 73 -4,-1.8 3,-2.4 -5,-0.2 -2,-0.1 0.937 50.5 150.2 -61.0 -51.2 -3.3 52.0 28.6 246 246 A G T 3< S- 0 0 63 -4,-0.6 -1,-0.1 1,-0.3 -2,-0.1 -0.309 83.3 -19.5 49.7-129.6 -3.0 55.8 29.0 247 247 A N T 3 S+ 0 0 175 -3,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.467 103.4 125.9 -82.0 -7.2 -0.0 56.8 26.9 248 248 A Y < - 0 0 40 -3,-2.4 3,-0.1 -4,-0.2 -4,-0.0 -0.372 53.6-149.8 -60.3 126.2 1.5 53.3 26.6 249 249 A Q S S- 0 0 92 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.876 77.0 -11.3 -56.5 -42.0 2.2 52.1 23.1 250 250 A W S >> S- 0 0 5 -5,-0.1 4,-1.4 1,-0.0 3,-0.7 -0.917 76.7 -88.8-156.1 175.0 1.6 48.5 24.2 251 251 A F H 3> S+ 0 0 0 -18,-2.0 4,-2.9 -19,-0.7 -18,-0.2 0.818 116.3 67.1 -64.1 -32.0 1.2 46.1 27.1 252 252 A I H 3> S+ 0 0 0 -20,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.880 102.4 46.7 -53.2 -42.8 5.0 45.6 27.4 253 253 A D H <> S+ 0 0 10 -3,-0.7 4,-2.7 2,-0.2 5,-0.3 0.921 113.0 48.7 -63.7 -49.5 5.5 49.3 28.4 254 254 A Y H X S+ 0 0 13 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.920 114.8 46.2 -52.7 -48.8 2.7 49.0 31.0 255 255 A Y H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.938 115.9 43.2 -66.6 -47.7 4.2 45.8 32.3 256 256 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.911 114.4 50.1 -62.4 -47.7 7.8 47.1 32.5 257 257 A D H X S+ 0 0 54 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.921 114.3 44.6 -57.5 -45.5 6.9 50.4 34.0 258 258 A N H X S+ 0 0 23 -4,-2.1 4,-3.2 -5,-0.3 -2,-0.2 0.863 111.6 51.0 -75.1 -31.9 4.7 48.8 36.7 259 259 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 11,-0.3 0.845 111.7 49.9 -69.0 -35.7 7.3 46.1 37.6 260 260 A K H X S+ 0 0 73 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.964 113.1 45.0 -61.7 -54.0 9.8 48.8 37.9 261 261 A K H X S+ 0 0 134 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.911 116.6 46.9 -55.8 -45.2 7.4 50.8 40.1 262 262 A N H X S+ 0 0 36 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.860 112.4 49.5 -65.3 -39.9 6.6 47.6 42.1 263 263 A S H X>S+ 0 0 2 -4,-2.4 5,-1.6 2,-0.2 4,-1.2 0.918 110.4 49.8 -65.3 -47.3 10.3 46.7 42.4 264 264 A D H <5S+ 0 0 98 -4,-3.1 3,-0.2 1,-0.2 -2,-0.2 0.889 111.7 49.8 -56.5 -40.4 11.2 50.3 43.6 265 265 A A H <5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.6 46.0 -65.4 -38.0 8.4 49.9 46.2 266 266 A A H <5S- 0 0 36 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.578 111.3-122.1 -82.2 -14.2 9.7 46.5 47.4 267 267 A G T <5S+ 0 0 67 -4,-1.2 2,-0.3 -3,-0.2 -3,-0.2 0.628 81.3 64.5 81.9 16.1 13.3 47.8 47.5 268 268 A K S S+W 287 0F 8 3,-2.4 3,-1.7 -2,-0.3 15,-0.3 -0.965 74.1 9.4-145.3 149.2 5.6 32.2 2.5 285 285 A G T 3 S- 0 0 45 -2,-0.3 14,-0.1 1,-0.3 3,-0.1 0.813 133.0 -59.6 54.5 34.3 3.7 30.4 -0.3 286 286 A G T 3 S+ 0 0 49 1,-0.2 2,-0.4 12,-0.1 -1,-0.3 0.684 117.2 106.9 68.6 20.5 0.5 31.1 1.6 287 287 A Q E < S-W 284 0F 96 -3,-1.7 -3,-2.4 4,-0.0 -1,-0.2 -0.991 75.0-113.4-132.9 141.2 1.8 29.2 4.7 288 288 A R E > -W 283 0F 88 -2,-0.4 3,-1.9 -5,-0.2 -5,-0.2 -0.490 32.1-126.9 -66.2 135.5 3.0 30.1 8.2 289 289 A V T 3 S+ 0 0 0 -7,-2.6 -1,-0.1 1,-0.3 -6,-0.1 0.676 101.1 78.3 -68.0 -18.5 6.7 29.2 8.4 290 290 A T T 3 S+ 0 0 40 -10,-0.4 -1,-0.3 -8,-0.3 66,-0.2 0.549 73.4 116.4 -63.4 -10.5 6.1 27.2 11.6 291 291 A T < - 0 0 34 -3,-1.9 66,-1.6 65,-0.1 96,-0.0 -0.238 67.3-141.0 -59.8 152.3 4.8 24.4 9.4 292 292 A S S S+ 0 0 66 64,-0.2 2,-1.0 65,-0.1 67,-0.1 0.515 74.3 106.1 -86.1 -10.4 6.5 21.0 9.1 293 293 A D > + 0 0 65 1,-0.1 3,-0.5 2,-0.1 -2,-0.1 -0.609 39.6 171.2 -77.2 102.9 5.8 21.0 5.3 294 294 A T T 3 + 0 0 36 -2,-1.0 -1,-0.1 1,-0.2 68,-0.1 0.284 59.7 86.4 -99.4 11.1 9.1 21.6 3.5 295 295 A S T 3 S+ 0 0 100 1,-0.1 2,-0.9 4,-0.0 -1,-0.2 0.748 71.6 88.2 -74.7 -20.3 7.8 20.9 -0.0 296 296 A N <> - 0 0 33 -3,-0.5 4,-2.5 1,-0.2 5,-0.1 -0.682 61.7-171.4 -85.4 102.8 6.7 24.6 -0.2 297 297 A V H > S+ 0 0 56 -2,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.869 82.8 50.3 -68.6 -41.5 9.8 26.5 -1.4 298 298 A D H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -13,-0.2 0.818 112.1 50.1 -65.9 -31.4 8.5 30.0 -0.9 299 299 A C H > S+ 0 0 0 -15,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.933 109.5 50.7 -67.5 -46.5 7.6 28.9 2.6 300 300 A N H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.894 112.4 48.3 -54.3 -40.6 11.1 27.5 3.0 301 301 A K H X S+ 0 0 85 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.925 109.3 49.7 -67.9 -49.6 12.5 30.9 1.8 302 302 A A H X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.811 105.8 61.5 -54.6 -35.1 10.3 33.0 4.1 303 303 A R H < S+ 0 0 0 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.932 105.1 43.9 -60.1 -50.8 11.5 30.7 7.0 304 304 A M H < S+ 0 0 1 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.770 117.7 46.5 -68.1 -27.9 15.2 31.6 6.6 305 305 A Q H >< S+ 0 0 19 -4,-1.5 3,-2.3 1,-0.2 4,-0.3 0.707 92.2 83.9 -79.3 -24.5 14.3 35.3 6.2 306 306 A A G >< S+ 0 0 1 -4,-1.5 3,-2.1 1,-0.3 4,-0.3 0.827 77.1 64.3 -57.8 -39.2 11.9 35.3 9.2 307 307 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.738 87.4 75.1 -55.9 -20.4 14.6 35.8 11.9 308 308 A R G X> S+ 0 0 17 -3,-2.3 4,-2.8 1,-0.2 3,-1.4 0.814 80.7 69.4 -60.6 -27.9 15.2 39.2 10.2 309 309 A S G <4 S+ 0 0 2 -3,-2.1 22,-2.9 -4,-0.3 -1,-0.2 0.673 92.1 61.4 -64.4 -14.7 11.9 40.4 11.9 310 310 A L G <4 S- 0 0 0 -3,-1.6 22,-2.5 -4,-0.3 -1,-0.3 0.762 128.8 -1.9 -77.4 -25.8 13.8 40.2 15.2 311 311 A W T <4 S+ 0 0 47 -3,-1.4 2,-0.6 -4,-0.4 -2,-0.2 0.632 102.9 92.1-139.7 -22.3 16.4 42.9 14.3 312 312 A D >< - 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