==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-MAR-05 1Z8R . COMPND 2 MOLECULE: COXSACKIEVIRUS B4 POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS B4; . AUTHOR N.J.BAXTER,A.ROETZER,H.D.LIEBIG,S.E.SEDELNIKOVA, . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 62.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 34.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 4 2.7 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 . 1 0.7 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 . 18 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 4.0 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 4 0 2 3 3 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 . 1 0 1 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 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 G 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -91.3 13.6 6.0 24.6 2 2 A P + 0 0 120 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.124 360.0 157.1 -71.1 172.4 11.1 5.2 21.7 3 3 A Y + 0 0 225 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.262 43.9 92.7-161.6 -46.7 7.3 5.2 22.0 4 4 A G - 0 0 82 1,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.428 59.9-151.7 -67.5 134.7 5.6 5.7 18.7 5 5 A H + 0 0 167 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.0 -0.813 20.8 163.0-109.5 149.5 4.8 2.5 16.8 6 6 A Q - 0 0 115 -2,-0.3 106,-0.0 1,-0.1 -2,-0.0 -0.958 25.7-170.4-163.7 144.0 4.5 1.9 13.1 7 7 A S - 0 0 82 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.800 14.7-163.9-103.3 -44.9 4.4 -1.0 10.6 8 8 A G + 0 0 25 1,-0.2 11,-0.4 10,-0.0 2,-0.3 0.748 67.4 55.8 63.7 23.2 4.7 0.8 7.2 9 9 A A S S- 0 0 7 9,-0.1 2,-0.5 113,-0.0 -1,-0.2 -0.956 86.1 -99.7-165.9 179.2 3.5 -2.4 5.6 10 10 A V E -A 17 0A 0 7,-1.9 7,-1.9 -2,-0.3 2,-0.7 -0.931 26.9-162.9-121.0 109.2 0.8 -5.1 5.4 11 11 A Y E +A 16 0A 63 -2,-0.5 40,-0.9 5,-0.2 2,-0.5 -0.808 11.3 179.3 -93.9 115.8 1.4 -8.4 7.2 12 12 A V E > -A 15 0A 1 3,-2.3 3,-3.1 -2,-0.7 40,-0.1 -0.923 50.1 -73.1-121.3 108.9 -1.0 -11.1 6.0 13 13 A G T 3 S- 0 0 1 -2,-0.5 131,-0.1 38,-0.3 -1,-0.1 -0.193 114.0 -12.7 48.3-124.6 -0.6 -14.6 7.6 14 14 A N T 3 S+ 0 0 78 129,-0.6 31,-1.2 34,-0.1 2,-0.4 0.237 130.2 74.1 -91.0 13.1 2.5 -16.3 6.3 15 15 A Y E < -AB 12 44A 50 -3,-3.1 -3,-2.3 29,-0.2 2,-0.6 -0.992 61.5-165.1-130.3 127.8 2.9 -13.6 3.5 16 16 A K E -AB 11 43A 36 27,-3.5 27,-2.0 -2,-0.4 2,-0.6 -0.938 5.0-163.4-116.4 114.9 4.1 -10.0 4.1 17 17 A V E +AB 10 42A 0 -7,-1.9 -7,-1.9 -2,-0.6 2,-0.3 -0.852 20.6 160.3-100.6 122.1 3.5 -7.5 1.3 18 18 A V E - B 0 41A 4 23,-1.6 23,-1.6 -2,-0.6 5,-0.1 -0.925 45.9 -80.0-136.1 161.0 5.5 -4.3 1.4 19 19 A N E >> - B 0 40A 12 -11,-0.4 4,-1.4 -2,-0.3 3,-1.3 -0.291 36.8-127.5 -60.0 141.5 6.6 -1.5 -0.9 20 20 A R G >4 S+ 0 0 99 19,-3.2 3,-0.7 1,-0.3 -1,-0.1 0.926 113.3 49.2 -56.6 -47.1 9.6 -2.4 -3.1 21 21 A H G 34 S+ 0 0 92 18,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.587 117.2 44.5 -69.1 -8.8 11.4 0.8 -2.0 22 22 A L G <4 S+ 0 0 90 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.513 90.7 104.0-110.8 -10.9 10.5 -0.3 1.6 23 23 A A << - 0 0 13 -4,-1.4 2,-0.2 -3,-0.7 -6,-0.0 -0.395 62.4-137.3 -73.3 150.6 11.4 -4.0 1.3 24 24 A T >> - 0 0 78 -2,-0.1 4,-1.8 1,-0.1 3,-1.0 -0.576 29.8 -98.2-103.6 169.3 14.6 -5.2 2.9 25 25 A H H 3> S+ 0 0 146 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.808 126.9 55.1 -54.6 -29.8 17.2 -7.7 1.6 26 26 A V H 3> S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.811 102.3 55.4 -73.9 -31.4 15.4 -10.3 3.7 27 27 A D H <4 S+ 0 0 8 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.925 114.4 39.1 -67.3 -44.1 12.1 -9.5 2.1 28 28 A W H >< S+ 0 0 91 -4,-1.8 3,-1.4 1,-0.2 -2,-0.2 0.817 108.3 64.1 -74.3 -31.3 13.5 -10.2 -1.3 29 29 A Q H 3< S+ 0 0 140 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.911 120.0 23.5 -58.2 -43.8 15.6 -13.1 -0.0 30 30 A N T 3< S+ 0 0 88 -4,-1.7 14,-1.9 14,-0.1 2,-0.3 -0.117 94.9 142.2-113.5 33.4 12.4 -15.0 0.9 31 31 A C E < -C 43 0A 39 -3,-1.4 12,-0.3 12,-0.2 3,-0.1 -0.599 28.5-178.2 -80.0 134.1 10.2 -13.2 -1.6 32 32 A V E S+ 0 0 67 10,-3.6 2,-0.3 1,-0.3 11,-0.2 0.803 70.7 12.9 -97.3 -39.9 7.5 -15.3 -3.4 33 33 A W E +C 42 0A 51 9,-1.5 9,-3.4 107,-0.0 -1,-0.3 -0.974 58.3 177.5-139.4 153.1 6.1 -12.5 -5.6 34 34 A E E -C 41 0A 69 -2,-0.3 2,-0.7 7,-0.3 7,-0.3 -0.843 10.9-162.1-160.3 118.1 7.0 -9.0 -6.7 35 35 A D E >> -C 40 0A 34 5,-3.0 5,-1.7 -2,-0.3 4,-0.9 -0.894 1.9-167.5-107.1 111.0 5.3 -6.6 -9.1 36 36 A Y T >45S+ 0 0 143 -2,-0.7 3,-0.9 1,-0.2 -1,-0.2 0.925 91.9 53.2 -59.6 -47.2 7.5 -3.8 -10.4 37 37 A N T 345S+ 0 0 35 1,-0.3 59,-1.9 58,-0.1 -1,-0.2 0.776 117.3 39.6 -60.0 -25.9 4.5 -1.9 -11.9 38 38 A R T 345S- 0 0 10 -3,-0.4 -1,-0.3 57,-0.2 -2,-0.2 0.498 99.2-139.0-100.1 -7.7 2.9 -2.2 -8.4 39 39 A D T <<5 + 0 0 6 -4,-0.9 -19,-3.2 -3,-0.9 2,-0.3 0.849 66.3 117.4 51.1 34.8 6.2 -1.6 -6.5 40 40 A L E < -BC 19 35A 0 -5,-1.7 -5,-3.0 -21,-0.3 2,-0.3 -0.966 41.7-177.4-133.7 149.7 5.0 -4.3 -4.2 41 41 A L E -BC 18 34A 0 -23,-1.6 -23,-1.6 -2,-0.3 2,-0.5 -0.978 18.7-134.7-145.0 155.9 6.3 -7.7 -3.2 42 42 A V E +BC 17 33A 0 -9,-3.4 -10,-3.6 -2,-0.3 -9,-1.5 -0.960 22.2 179.5-118.5 127.4 5.3 -10.7 -1.0 43 43 A S E -BC 16 31A 6 -27,-2.0 -27,-3.5 -2,-0.5 2,-0.3 -0.836 26.3-115.2-120.8 157.5 7.7 -12.5 1.3 44 44 A T E -B 15 0A 58 -14,-1.9 2,-0.3 -2,-0.3 -29,-0.2 -0.712 31.1-177.8 -97.6 146.6 7.1 -15.4 3.7 45 45 A T - 0 0 31 -31,-1.2 4,-0.1 -2,-0.3 3,-0.0 -0.890 31.3-137.8-136.3 165.5 7.3 -15.3 7.4 46 46 A T S S+ 0 0 145 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.786 85.4 75.3 -93.3 -34.1 7.0 -17.6 10.4 47 47 A A S S- 0 0 57 1,-0.1 -2,-0.0 -33,-0.0 -1,-0.0 -0.685 89.4-114.9 -84.8 128.6 5.0 -15.3 12.7 48 48 A H - 0 0 152 -2,-0.4 -34,-0.1 1,-0.1 -2,-0.1 -0.224 33.4-116.6 -59.1 148.0 1.3 -14.9 11.8 49 49 A G - 0 0 19 2,-0.1 -37,-0.1 -4,-0.1 -1,-0.1 -0.174 6.0-142.0 -80.2 177.7 0.3 -11.4 10.7 50 50 A C + 0 0 123 -39,-0.4 2,-0.3 -37,-0.0 -38,-0.1 -0.089 69.9 85.7-132.1 33.5 -2.2 -9.0 12.4 51 51 A D - 0 0 54 -40,-0.9 2,-0.5 -41,-0.0 -38,-0.3 -0.993 56.8-151.9-138.5 144.5 -3.9 -7.5 9.4 52 52 A T - 0 0 85 -2,-0.3 68,-1.0 -40,-0.1 2,-0.2 -0.955 16.6-140.1-120.8 115.9 -6.9 -8.6 7.2 53 53 A I B -d 120 0B 0 -2,-0.5 94,-0.9 92,-0.3 2,-0.4 -0.490 17.8-129.8 -73.9 139.5 -7.1 -7.5 3.6 54 54 A A B -k 147 0C 0 66,-1.9 65,-0.2 -2,-0.2 83,-0.1 -0.759 7.6-156.0 -93.4 133.5 -10.5 -6.4 2.3 55 55 A R + 0 0 109 92,-0.7 2,-0.2 -2,-0.4 94,-0.1 0.021 63.0 109.0 -93.5 27.1 -11.8 -7.9 -0.9 56 56 A C - 0 0 9 92,-0.1 -2,-0.1 2,-0.0 82,-0.1 -0.544 60.5-150.8-100.0 167.1 -14.1 -4.9 -1.4 57 57 A Q + 0 0 167 -2,-0.2 21,-0.1 81,-0.0 -1,-0.0 -0.082 32.9 162.4-127.7 32.4 -13.9 -2.1 -3.9 58 58 A C - 0 0 41 1,-0.2 18,-0.1 2,-0.1 -2,-0.0 -0.296 38.1-143.3 -56.6 132.6 -15.5 0.7 -1.9 59 59 A T S S+ 0 0 83 16,-0.1 17,-2.8 1,-0.0 2,-0.4 0.574 85.7 67.5 -74.1 -8.6 -14.7 4.1 -3.4 60 60 A T E +E 75 0B 86 15,-0.3 15,-0.2 2,-0.0 2,-0.2 -0.954 63.0 132.3-118.5 130.8 -14.6 5.4 0.2 61 61 A G E -E 74 0B 11 13,-2.2 13,-3.0 -2,-0.4 2,-0.4 -0.819 47.5 -98.9-153.3-167.9 -12.0 4.5 2.8 62 62 A V E -EF 73 115B 25 53,-1.8 53,-1.8 11,-0.3 2,-0.3 -0.988 28.0-167.6-133.8 126.2 -9.5 5.7 5.4 63 63 A Y E -E 72 0B 13 9,-3.0 9,-3.4 -2,-0.4 2,-0.3 -0.795 20.9-120.0-111.1 153.9 -5.8 6.3 4.9 64 64 A F E -E 71 0B 51 49,-0.4 48,-0.7 -2,-0.3 2,-0.4 -0.693 22.7-153.5 -93.1 143.9 -3.1 7.0 7.5 65 65 A C B > -L 111 0D 1 5,-1.7 4,-1.3 -2,-0.3 46,-0.3 -0.952 13.8-155.8-121.0 137.7 -1.0 10.2 7.4 66 66 A A T 4 S+ 0 0 54 44,-2.4 45,-0.1 -2,-0.4 -1,-0.1 0.915 98.6 44.2 -73.8 -45.1 2.5 10.6 8.8 67 67 A S T 4 S+ 0 0 96 43,-0.4 -1,-0.1 1,-0.2 44,-0.1 0.947 123.9 35.2 -64.7 -50.1 2.2 14.4 9.3 68 68 A K T 4 S- 0 0 80 2,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.776 90.8-152.9 -74.6 -27.5 -1.3 14.2 10.8 69 69 A S < + 0 0 80 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.732 63.5 96.3 59.6 21.1 -0.3 10.9 12.6 70 70 A K S S- 0 0 109 -5,-0.3 -5,-1.7 -7,-0.1 2,-0.3 -0.847 84.3 -89.8-133.9 170.0 -4.1 10.1 12.4 71 71 A H E -E 64 0B 102 -2,-0.3 -7,-0.2 -7,-0.2 -9,-0.0 -0.621 35.8-160.1 -84.1 139.3 -6.5 8.3 10.2 72 72 A Y E -E 63 0B 77 -9,-3.4 -9,-3.0 -2,-0.3 2,-0.5 -0.945 10.5-142.6-126.5 114.0 -8.1 10.2 7.3 73 73 A P E +E 62 0B 97 0, 0.0 2,-0.3 0, 0.0 -11,-0.3 -0.590 36.1 162.1 -74.5 120.5 -11.4 9.0 5.6 74 74 A V E -E 61 0B 18 -13,-3.0 -13,-2.2 -2,-0.5 2,-0.4 -0.999 37.3-125.9-144.3 147.4 -11.1 9.8 1.9 75 75 A S E +E 60 0B 70 -2,-0.3 27,-0.5 -15,-0.2 2,-0.3 -0.725 38.4 165.9 -92.0 137.2 -12.8 8.7 -1.4 76 76 A F - 0 0 12 -17,-2.8 2,-0.3 -2,-0.4 25,-0.2 -0.941 29.3-123.1-146.5 168.4 -10.6 7.4 -4.2 77 77 A E B -G 100 0B 154 23,-1.6 23,-1.4 -2,-0.3 -19,-0.0 -0.769 19.5-127.7-113.0 158.4 -10.6 5.6 -7.5 78 78 A G - 0 0 55 -2,-0.3 21,-0.2 21,-0.2 2,-0.1 -0.552 33.4-177.9-106.0 68.2 -8.8 2.4 -8.5 79 79 A P - 0 0 41 0, 0.0 19,-1.8 0, 0.0 3,-0.2 -0.423 20.9-142.4 -67.6 135.2 -6.9 3.5 -11.7 80 80 A G S S+ 0 0 46 1,-0.2 17,-1.6 17,-0.2 18,-0.8 0.985 82.5 20.5 -59.3 -82.8 -5.0 0.7 -13.4 81 81 A L E S+M 96 0E 88 15,-0.3 2,-0.5 16,-0.1 15,-0.3 -0.825 70.5 177.1 -97.1 119.9 -1.9 2.4 -14.7 82 82 A V E -M 95 0E 29 13,-3.6 13,-1.8 -2,-0.6 2,-0.8 -0.977 28.6-130.9-125.0 122.2 -0.9 5.7 -13.1 83 83 A E E -M 94 0E 84 -2,-0.5 2,-0.4 11,-0.2 11,-0.3 -0.585 24.8-147.3 -73.1 108.0 2.2 7.6 -14.1 84 84 A V E -M 93 0E 8 9,-2.7 9,-1.1 -2,-0.8 44,-0.1 -0.654 13.7-126.8 -81.8 126.9 4.0 8.5 -10.8 85 85 A Q - 0 0 97 -2,-0.4 2,-0.9 7,-0.2 42,-0.2 -0.334 34.5 -91.6 -69.8 150.7 5.9 11.8 -10.9 86 86 A E S S+ 0 0 139 6,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.508 73.5 138.3 -67.7 102.5 9.5 11.8 -9.8 87 87 A S B > -N 90 0F 64 3,-1.1 3,-2.9 -2,-0.9 2,-2.0 -0.946 55.0 -2.2-143.9 164.1 9.3 12.6 -6.1 88 88 A E T 3 S- 0 0 129 -2,-0.3 -2,-0.1 1,-0.3 0, 0.0 -0.308 133.4 -32.2 57.0 -81.4 10.8 11.6 -2.8 89 89 A Y T 3 S+ 0 0 127 -2,-2.0 -1,-0.3 2,-0.0 -3,-0.1 0.113 115.4 97.7-155.6 22.9 13.1 9.0 -4.2 90 90 A Y B < -N 87 0F 42 -3,-2.9 -3,-1.1 -5,-0.1 2,-0.2 -0.968 64.5-128.5-123.8 136.8 11.3 7.5 -7.2 91 91 A P - 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