==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-AUG-11 3ZZ6 . COMPND 2 MOLECULE: POLYPROTEIN 3BCD; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN COXSACKIEVIRUS B3; . AUTHOR J.TAN,K.ANAND,J.R.MESTERS,R.HILGENFELD . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 43.1 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.9 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 . 20 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 6.6 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+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 0 0 1 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 . 1 1 2 3 2 3 1 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 . 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 A M > 0 0 116 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -41.3 -27.0 -13.5 -22.5 2 1 A G H > + 0 0 44 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.954 360.0 52.2 -55.5 -53.6 -28.7 -14.2 -19.2 3 2 A P H > S+ 0 0 74 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.899 108.0 53.0 -57.5 -37.1 -25.5 -15.8 -17.8 4 3 A A H > S+ 0 0 2 2,-0.2 4,-3.7 1,-0.2 -2,-0.2 0.947 112.4 43.8 -58.4 -48.0 -23.6 -12.7 -18.8 5 4 A F H X S+ 0 0 104 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.869 111.8 54.3 -61.6 -40.2 -26.1 -10.4 -17.0 6 5 A E H X S+ 0 0 148 -4,-3.0 4,-1.5 2,-0.2 -2,-0.2 0.920 113.3 41.5 -62.7 -47.5 -26.0 -12.8 -14.0 7 6 A F H X S+ 0 0 35 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.958 113.6 53.8 -60.1 -55.6 -22.2 -12.5 -13.9 8 7 A A H X S+ 0 0 0 -4,-3.7 4,-2.6 -5,-0.2 5,-0.3 0.908 107.9 50.2 -41.6 -51.3 -22.3 -8.7 -14.5 9 8 A V H X S+ 0 0 44 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.870 113.2 43.8 -67.5 -39.9 -24.7 -8.2 -11.6 10 9 A A H X S+ 0 0 61 -4,-1.5 4,-2.2 -3,-0.2 5,-0.2 0.916 114.2 52.0 -70.2 -40.6 -22.6 -10.2 -9.0 11 10 A M H X S+ 0 0 3 -4,-3.0 4,-3.6 1,-0.2 5,-0.3 0.940 112.2 44.1 -59.1 -48.9 -19.4 -8.5 -10.3 12 11 A M H X S+ 0 0 3 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.2 0.871 112.9 51.9 -66.3 -38.6 -20.8 -5.0 -9.9 13 12 A K H < S+ 0 0 185 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.917 119.2 35.9 -65.0 -39.3 -22.2 -5.7 -6.6 14 13 A R H < S+ 0 0 159 -4,-2.2 71,-0.4 -5,-0.1 -2,-0.2 0.882 133.5 16.8 -84.6 -37.1 -18.9 -7.0 -5.3 15 14 A N H < S+ 0 0 4 -4,-3.6 15,-3.0 -5,-0.2 2,-0.2 0.451 99.0 88.7-121.7 1.3 -16.3 -4.8 -7.0 16 15 A S E < +A 29 0A 19 -4,-1.6 2,-0.3 -5,-0.3 13,-0.2 -0.676 40.1 172.3-105.2 157.4 -17.8 -1.5 -8.4 17 16 A S E -A 28 0A 3 11,-1.9 11,-2.6 -2,-0.2 2,-0.5 -0.961 35.2-106.5-150.3 169.5 -18.5 1.9 -6.9 18 17 A T E -A 27 0A 25 -2,-0.3 33,-3.0 9,-0.2 2,-0.4 -0.839 38.8-163.1-101.7 131.7 -19.6 5.3 -8.0 19 18 A V E -AB 26 50A 0 7,-3.9 7,-3.8 -2,-0.5 2,-0.5 -0.939 13.3-160.4-123.2 137.5 -16.8 7.9 -8.2 20 19 A K E +AB 25 49A 125 29,-2.9 29,-2.6 -2,-0.4 2,-0.2 -0.971 19.5 160.1-110.8 127.7 -16.8 11.6 -8.3 21 20 A T E > -A 24 0A 11 3,-2.2 3,-0.8 -2,-0.5 27,-0.1 -0.645 59.4 -91.7-119.2-171.8 -13.7 13.6 -9.6 22 21 A E T 3 S+ 0 0 130 21,-0.3 3,-0.1 1,-0.2 21,-0.1 0.669 123.5 60.5 -82.6 -7.2 -13.7 17.2 -10.8 23 22 A Y T 3 S- 0 0 152 19,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.492 119.4 -78.0 -97.7 -3.1 -14.2 15.9 -14.4 24 23 A G E < -A 21 0A 29 -3,-0.8 -3,-2.2 18,-0.2 2,-0.4 -0.915 59.1 -48.0 141.3-167.3 -17.5 14.2 -13.7 25 24 A E E +A 20 0A 50 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.861 55.6 179.5-105.4 136.9 -19.1 11.1 -12.2 26 25 A F E -A 19 0A 16 -7,-3.8 -7,-3.9 -2,-0.4 2,-0.3 -0.965 33.3-116.4-138.9 154.5 -17.9 7.7 -13.1 27 26 A T E -A 18 0A 0 121,-1.4 2,-0.4 -2,-0.3 -9,-0.2 -0.659 37.6-159.6 -76.3 140.2 -18.3 3.9 -12.5 28 27 A M E -A 17 0A 0 -11,-2.6 -11,-1.9 -2,-0.3 2,-0.6 -0.984 9.9-153.3-132.4 129.7 -15.2 2.5 -10.9 29 28 A L E -AC 16 37A 0 8,-1.0 8,-1.6 -2,-0.4 2,-0.4 -0.884 11.5-143.8-100.2 117.2 -14.0 -1.1 -10.8 30 29 A G E - C 0 36A 0 -15,-3.0 6,-0.3 -2,-0.6 3,-0.1 -0.654 17.7-175.2 -69.8 127.1 -11.8 -2.3 -7.9 31 30 A I E - 0 0 0 4,-2.4 56,-2.6 -2,-0.4 57,-0.4 0.900 54.3 -35.9 -96.9 -59.6 -9.3 -4.8 -9.3 32 31 A Y E > S- C 0 35A 27 3,-1.2 3,-2.5 54,-0.2 -1,-0.4 -0.985 106.6 -9.3-154.7 158.1 -7.3 -6.2 -6.3 33 32 A D B 3 S-O 84 0B 35 51,-1.0 51,-3.3 -2,-0.3 -3,-0.0 -0.287 126.2 -32.0 65.2-119.6 -6.0 -4.9 -3.1 34 33 A R T 3 S+ 0 0 63 49,-0.2 44,-2.4 -2,-0.2 2,-0.5 0.119 111.2 109.2-127.2 15.8 -6.5 -1.1 -3.1 35 34 A W E < +CD 32 77A 28 -3,-2.5 -4,-2.4 42,-0.2 -3,-1.2 -0.847 38.1 161.9 -98.2 126.8 -6.0 -0.7 -6.8 36 35 A A E -CD 30 76A 0 40,-2.6 40,-2.2 -2,-0.5 2,-0.3 -0.702 27.0-122.4-126.2-169.8 -8.9 0.2 -9.0 37 36 A V E +CD 29 75A 1 -8,-1.6 -8,-1.0 38,-0.2 38,-0.2 -0.995 20.1 179.9-142.9 138.7 -9.2 1.6 -12.5 38 37 A L E - D 0 74A 0 36,-3.2 36,-2.8 -2,-0.3 -10,-0.1 -0.898 43.4 -91.1-128.7 159.2 -10.8 4.7 -14.2 39 38 A P E > - D 0 73A 0 0, 0.0 3,-1.6 0, 0.0 34,-0.3 -0.497 43.9-118.7 -66.0 145.2 -11.0 5.9 -17.8 40 39 A R G > S+ 0 0 47 32,-2.2 3,-2.3 1,-0.3 33,-0.1 0.929 112.0 63.5 -52.1 -51.2 -8.0 8.2 -18.3 41 40 A H G 3 S+ 0 0 44 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.530 79.8 79.6 -55.9 -14.5 -10.3 11.2 -19.1 42 41 A A G < S- 0 0 0 -3,-1.6 -19,-0.5 2,-0.0 -1,-0.3 0.532 82.3-164.1 -58.9 -8.9 -11.7 10.9 -15.6 43 42 A K < - 0 0 84 -3,-2.3 -21,-0.3 1,-0.1 -2,-0.1 0.727 14.2-147.6 22.4 62.2 -8.4 12.8 -14.9 44 43 A P - 0 0 22 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.297 6.6-139.6 -65.3 140.4 -8.6 12.0 -11.1 45 44 A G - 0 0 13 2,-0.5 12,-0.1 -3,-0.2 -3,-0.0 -0.045 39.3 -78.8 -84.0-174.8 -7.2 14.5 -8.7 46 45 A P S S+ 0 0 122 0, 0.0 11,-1.8 0, 0.0 2,-0.3 0.607 119.8 30.9 -63.0 -19.4 -5.2 13.9 -5.4 47 46 A T E S- E 0 56A 47 9,-0.2 -2,-0.5 11,-0.0 2,-0.3 -0.979 72.3-166.3-135.5 154.0 -8.6 13.1 -3.7 48 47 A I E - E 0 55A 2 7,-3.6 7,-3.7 -2,-0.3 2,-0.7 -0.957 25.3-121.3-133.6 156.9 -11.8 11.4 -4.9 49 48 A L E -BE 20 54A 64 -29,-2.6 -29,-2.9 -2,-0.3 2,-0.6 -0.900 31.0-175.6 -92.0 113.2 -15.5 10.9 -3.8 50 49 A M E > S-BE 19 53A 13 3,-2.8 3,-1.2 -2,-0.7 -31,-0.2 -0.965 76.2 -19.4-116.8 116.3 -16.1 7.2 -3.7 51 50 A N T 3 S- 0 0 90 -33,-3.0 -1,-0.2 -2,-0.6 -32,-0.1 0.933 132.2 -49.1 45.1 51.8 -19.7 6.4 -2.8 52 51 A D T 3 S+ 0 0 151 -34,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.581 118.5 114.0 70.5 12.7 -20.0 9.9 -1.5 53 52 A Q E < S-E 50 0A 138 -3,-1.2 -3,-2.8 2,-0.0 -1,-0.2 -0.950 70.5-115.5-124.5 128.4 -16.9 9.6 0.6 54 53 A E E +E 49 0A 136 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.308 37.5 175.2 -50.7 119.5 -13.6 11.4 0.4 55 54 A V E -E 48 0A 16 -7,-3.7 -7,-3.6 -2,-0.1 2,-0.3 -0.999 25.2-133.2-129.0 130.9 -10.8 9.0 -0.4 56 55 A G E -E 47 0A 22 23,-0.4 23,-1.8 -2,-0.4 2,-0.8 -0.627 18.7-130.1 -81.2 142.2 -7.2 10.1 -1.1 57 56 A V E -F 78 0A 22 -11,-1.8 21,-0.3 -2,-0.3 3,-0.1 -0.812 16.1-166.6 -99.7 103.0 -5.5 8.6 -4.2 58 57 A L E - 0 0 105 19,-1.6 2,-0.3 -2,-0.8 20,-0.2 0.829 69.7 -10.9 -59.6 -35.2 -2.0 7.2 -3.2 59 58 A D E -F 77 0A 82 18,-1.2 18,-1.4 2,-0.0 2,-0.3 -0.957 57.4-157.8-158.3 170.6 -0.9 6.9 -6.9 60 59 A A E -F 76 0A 40 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.908 1.9-162.3-161.9 130.3 -2.1 7.0 -10.5 61 60 A K E -F 75 0A 90 14,-2.1 14,-1.5 -2,-0.3 2,-0.8 -0.940 8.9-154.8-125.3 110.5 -0.8 5.6 -13.8 62 61 A E E -F 74 0A 111 -2,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.737 32.2-131.6 -82.6 108.3 -2.0 6.9 -17.1 63 62 A L E + 0 0 25 10,-2.5 8,-1.6 -2,-0.8 9,-0.7 -0.460 35.3 162.7 -81.4 131.0 -1.4 3.9 -19.3 64 63 A V E -F 70 0A 84 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.958 32.6-118.6-134.0 150.8 0.3 4.0 -22.7 65 64 A D > - 0 0 24 4,-2.0 3,-1.8 -2,-0.3 6,-0.1 -0.090 46.9 -80.3 -77.9-172.8 1.8 1.1 -24.8 66 65 A K T 3 S+ 0 0 205 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.927 132.3 50.5 -59.8 -52.6 5.5 0.8 -25.8 67 66 A D T 3 S- 0 0 138 1,-0.1 -1,-0.3 2,-0.0 -2,-0.0 0.395 122.4-110.2 -63.3 2.4 5.3 3.2 -28.8 68 67 A G < + 0 0 40 -3,-1.8 -2,-0.2 1,-0.2 -1,-0.1 0.422 64.1 157.3 80.5 1.8 3.7 5.6 -26.2 69 68 A T - 0 0 29 1,-0.1 -4,-2.0 -5,-0.1 -1,-0.2 -0.288 49.9 -90.7 -67.8 143.1 0.2 5.4 -27.8 70 69 A N E +gF 133 64A 15 62,-1.0 64,-2.6 -6,-0.2 -6,-0.2 -0.218 39.4 172.7 -52.5 130.2 -2.9 6.2 -25.7 71 70 A L E - 0 0 3 -8,-1.6 -7,-0.2 62,-0.2 -1,-0.1 0.534 36.8-138.8-112.2 -22.7 -4.6 3.3 -24.0 72 71 A E E + 0 0 2 -9,-0.7 -32,-2.2 1,-0.2 2,-0.4 0.702 59.0 115.4 77.8 24.7 -7.0 5.6 -22.1 73 72 A L E -D 39 0A 1 -10,-0.4 -10,-2.5 -34,-0.3 2,-0.4 -0.956 43.9-162.7-122.8 148.4 -7.0 3.9 -18.7 74 73 A T E -DF 38 62A 0 -36,-2.8 -36,-3.2 -2,-0.4 2,-0.4 -0.983 8.2-155.4-124.7 134.2 -5.8 5.3 -15.4 75 74 A L E -DF 37 61A 2 -14,-1.5 -14,-2.1 -2,-0.4 2,-0.4 -0.858 12.8-170.1-109.2 147.2 -5.1 3.1 -12.5 76 75 A L E -DF 36 60A 0 -40,-2.2 -40,-2.6 -2,-0.4 2,-0.4 -0.998 17.7-145.6-142.3 140.0 -5.2 4.4 -8.9 77 76 A K E -DF 35 59A 50 -18,-1.4 -19,-1.6 -2,-0.4 -18,-1.2 -0.914 23.8-153.4-106.8 139.4 -4.2 3.1 -5.6 78 77 A L E - F 0 57A 0 -44,-2.4 2,-1.8 -2,-0.4 -21,-0.2 -0.917 18.2-129.7-122.7 125.6 -6.4 4.2 -2.7 79 78 A N + 0 0 93 -23,-1.8 -23,-0.4 -2,-0.5 2,-0.3 -0.620 62.7 123.3 -75.7 93.9 -5.8 4.7 0.9 80 79 A R - 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