==== 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-SEP-07 2VB0 . COMPND 2 MOLECULE: POLYPROTEIN 3BCD; . SOURCE 2 ORGANISM_SCIENTIFIC: COXSACKIEVIRUS B3; . AUTHOR K.ANAND,J.R.MESTERS,R.GOERLACH,R.ZELL,R.HILGENFELD . 183 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 42.6 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 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 22 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 6.0 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+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 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 1 3 1 3 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 1 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 60 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -78.9 1.2 -4.3 -2.3 2 2 A P H > + 0 0 102 0, 0.0 4,-2.3 0, 0.0 153,-0.2 0.771 360.0 62.1 -63.6 -22.6 3.7 -6.2 -0.3 3 3 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 152,-0.1 0.931 101.9 47.3 -64.9 -47.4 5.8 -3.1 -1.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.945 110.1 53.0 -53.8 -52.8 3.4 -0.8 0.6 5 5 A E H X S+ 0 0 158 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.922 111.2 46.4 -51.8 -47.8 3.5 -3.2 3.7 6 6 A F H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.908 112.6 51.8 -60.5 -44.7 7.3 -3.0 3.6 7 7 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.895 106.2 52.1 -58.9 -45.8 7.1 0.9 3.2 8 8 A V H X S+ 0 0 66 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.970 112.8 44.3 -59.9 -55.5 4.8 1.4 6.1 9 9 A A H X S+ 0 0 54 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.856 112.1 54.4 -53.9 -40.7 7.1 -0.5 8.5 10 10 A M H X S+ 0 0 2 -4,-2.0 4,-3.0 -5,-0.2 5,-0.4 0.942 111.4 43.3 -59.8 -49.7 10.2 1.3 7.1 11 11 A M H X S+ 0 0 5 -4,-2.4 4,-1.7 3,-0.2 -2,-0.2 0.892 113.8 51.6 -64.1 -43.4 8.8 4.7 7.7 12 12 A K H < S+ 0 0 187 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.950 120.9 32.8 -56.8 -53.4 7.5 3.8 11.2 13 13 A R H < S+ 0 0 162 -4,-2.6 71,-0.3 -5,-0.2 -2,-0.2 0.886 135.5 16.9 -71.1 -42.4 10.9 2.4 12.3 14 14 A N H < S+ 0 0 3 -4,-3.0 15,-3.4 -5,-0.3 2,-0.3 0.524 99.1 85.7-122.6 -9.3 13.3 4.6 10.4 15 15 A S E < +A 28 0A 15 -4,-1.7 2,-0.3 -5,-0.4 13,-0.2 -0.720 42.3 173.8-105.5 153.3 11.8 7.9 9.1 16 16 A S E -A 27 0A 3 11,-1.6 11,-2.4 -2,-0.3 2,-0.6 -0.930 35.0-104.1-146.5 168.5 11.3 11.3 10.6 17 17 A T E -A 26 0A 28 -2,-0.3 33,-3.1 9,-0.2 2,-0.4 -0.865 39.3-170.4 -97.5 124.0 10.2 14.8 9.8 18 18 A V E -AB 25 49A 0 7,-3.4 7,-3.5 -2,-0.6 2,-0.4 -0.959 11.3-165.5-120.1 137.1 13.1 17.2 9.6 19 19 A K E +AB 24 48A 135 29,-2.7 29,-2.1 -2,-0.4 2,-0.2 -0.963 13.0 173.3-113.8 129.8 13.1 21.0 9.3 20 20 A T E > -A 23 0A 11 3,-3.8 3,-1.5 -2,-0.4 22,-0.1 -0.751 52.7 -98.7-114.1 177.0 16.1 23.0 8.3 21 21 A E T 3 S+ 0 0 141 -2,-0.2 21,-0.1 1,-0.2 3,-0.1 0.695 128.2 57.2 -65.3 -17.3 16.6 26.7 7.6 22 22 A Y T 3 S- 0 0 141 19,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.461 122.6 -87.1 -89.5 -1.3 16.3 25.4 4.0 23 23 A G E < -A 20 0A 24 -3,-1.5 -3,-3.8 18,-0.1 2,-0.4 -0.880 56.3 -42.5 130.9-170.8 12.9 23.8 4.5 24 24 A E E +A 19 0A 44 -2,-0.3 2,-0.3 -5,-0.2 123,-0.3 -0.911 56.3 167.4-110.5 135.6 11.1 20.6 5.6 25 25 A F E -A 18 0A 0 -7,-3.5 -7,-3.4 -2,-0.4 2,-0.4 -0.896 37.5-109.3-138.5 158.2 12.3 17.2 4.5 26 26 A T E -A 17 0A 1 121,-2.0 2,-0.5 -2,-0.3 -9,-0.2 -0.819 33.0-153.5 -86.9 135.7 11.9 13.6 5.2 27 27 A M E -A 16 0A 0 -11,-2.4 -11,-1.6 -2,-0.4 2,-0.7 -0.943 2.0-151.6-111.2 133.4 14.9 12.0 6.9 28 28 A L E -AC 15 36A 0 8,-1.7 8,-2.3 -2,-0.5 2,-0.3 -0.877 11.8-142.3-105.0 116.0 15.8 8.3 6.6 29 29 A G E - C 0 35A 0 -15,-3.4 6,-0.3 -2,-0.7 57,-0.1 -0.582 19.8-178.1 -70.4 131.0 17.7 6.8 9.5 30 30 A I E - 0 0 0 4,-2.5 56,-2.9 1,-0.4 57,-0.3 0.920 52.2 -37.7 -98.9 -54.4 20.3 4.3 8.2 31 31 A Y E > S- C 0 34A 25 3,-1.3 3,-3.3 54,-0.2 -1,-0.4 -0.932 107.7 -6.2-167.8 158.0 22.1 2.7 11.2 32 32 A D B 3 S-N 83 0B 61 51,-0.7 51,-2.3 -2,-0.3 44,-0.0 -0.311 128.5 -39.3 51.7-109.8 23.3 3.6 14.6 33 33 A R T 3 S+ 0 0 76 -2,-0.2 44,-2.7 49,-0.2 2,-0.5 0.049 107.8 119.2-127.8 25.9 22.7 7.4 14.5 34 34 A W E < +CD 31 76A 20 -3,-3.3 -4,-2.5 42,-0.2 -3,-1.3 -0.811 38.1 170.5 -90.7 130.3 23.7 7.9 11.0 35 35 A A E -CD 29 75A 0 40,-2.8 40,-2.5 -2,-0.5 2,-0.4 -0.870 24.1-127.1-136.0 166.5 21.0 9.3 8.8 36 36 A V E +CD 28 74A 1 -8,-2.3 -8,-1.7 -2,-0.3 38,-0.2 -0.941 20.7 175.3-124.1 141.1 20.6 10.7 5.3 37 37 A L E - D 0 73A 0 36,-2.3 36,-2.6 -2,-0.4 2,-0.1 -0.928 43.5 -93.9-125.3 158.6 19.1 14.0 3.9 38 38 A P E > - D 0 72A 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.555 42.5-115.9 -69.4 147.2 19.0 15.3 0.4 39 39 A R G > S+ 0 0 56 32,-2.9 3,-2.1 1,-0.3 33,-0.1 0.852 109.9 62.6 -51.4 -42.8 21.9 17.7 -0.1 40 40 A H G 3 S+ 0 0 40 1,-0.3 -1,-0.3 31,-0.2 32,-0.1 0.580 83.2 77.2 -70.7 -2.9 19.8 20.8 -0.6 41 41 A A G < S- 0 0 0 -3,-1.9 -19,-0.7 2,-0.0 -1,-0.3 0.778 81.6-163.6 -70.9 -18.9 18.4 20.6 2.9 42 42 A K < - 0 0 104 -3,-2.1 -21,-0.2 -4,-0.3 -2,-0.1 0.807 8.2-153.7 36.5 58.0 21.8 22.0 4.0 43 43 A P - 0 0 18 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.244 5.6-152.1 -64.0 133.5 21.5 21.0 7.7 44 44 A G - 0 0 23 2,-0.6 3,-0.0 1,-0.0 12,-0.0 0.136 49.9 -64.6 -79.9-163.0 23.5 23.2 10.2 45 45 A P S S+ 0 0 113 0, 0.0 11,-2.7 0, 0.0 2,-0.3 0.610 126.2 39.1 -58.7 -14.6 24.9 22.1 13.7 46 46 A T E - E 0 55A 46 9,-0.3 -2,-0.6 11,-0.0 2,-0.3 -0.999 65.4-175.8-140.5 141.2 21.3 21.7 14.7 47 47 A I E - E 0 54A 2 7,-2.9 7,-2.6 -2,-0.3 2,-0.8 -0.895 30.4-121.0-122.6 160.7 18.1 20.3 13.0 48 48 A L E -BE 19 53A 72 -29,-2.1 -29,-2.7 -2,-0.3 2,-0.6 -0.900 34.2-177.2 -98.5 102.1 14.5 20.1 14.1 49 49 A M E S-B 18 0A 7 3,-2.5 3,-0.4 -2,-0.8 -31,-0.2 -0.913 72.1 -13.8-105.5 112.3 13.7 16.4 14.0 50 50 A N S S- 0 0 82 -33,-3.1 -1,-0.2 -2,-0.6 -32,-0.1 0.978 128.7 -53.6 57.0 60.7 10.0 15.6 14.8 51 51 A D S S+ 0 0 162 -3,-0.3 2,-0.3 -34,-0.2 -1,-0.2 0.623 122.0 108.9 53.8 15.3 9.3 19.2 16.2 52 52 A Q S S- 0 0 132 -3,-0.4 -3,-2.5 2,-0.0 2,-0.8 -0.908 74.5-114.5-127.5 148.9 12.3 18.6 18.5 53 53 A E E +E 48 0A 148 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.705 36.9 174.2 -93.8 110.3 15.9 20.0 18.5 54 54 A V E -E 47 0A 11 -7,-2.6 -7,-2.9 -2,-0.8 2,-0.1 -0.931 27.2-125.6-116.0 132.6 18.6 17.6 17.7 55 55 A G E -EF 46 78A 24 23,-0.6 23,-2.8 -2,-0.4 2,-0.6 -0.423 13.1-140.1 -70.2 146.0 22.3 18.4 17.3 56 56 A V E - F 0 77A 16 -11,-2.7 21,-0.2 21,-0.2 3,-0.1 -0.969 16.8-174.6-106.6 119.4 24.1 17.3 14.2 57 57 A L E + 0 0 95 19,-2.9 2,-0.3 -2,-0.6 20,-0.1 0.695 68.4 4.3 -87.9 -22.5 27.6 16.1 15.2 58 58 A D E - F 0 76A 73 18,-0.9 18,-2.5 2,-0.0 2,-0.4 -0.973 61.2-168.1-167.8 143.0 28.9 15.5 11.7 59 59 A A E - F 0 75A 48 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -0.992 1.2-171.7-147.7 130.4 27.8 16.1 8.2 60 60 A K E - F 0 74A 56 14,-2.6 14,-2.7 -2,-0.4 2,-0.6 -0.960 15.1-152.3-125.9 113.9 29.1 14.9 4.8 61 61 A E E - F 0 73A 89 -2,-0.4 2,-0.3 12,-0.2 12,-0.3 -0.751 36.4-130.5 -71.6 121.5 27.8 16.1 1.4 62 62 A L E + 0 0 24 10,-3.5 8,-1.7 -2,-0.6 10,-0.4 -0.599 30.3 177.9 -87.6 143.0 28.7 13.0 -0.7 63 63 A V E - F 0 69A 72 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.865 26.6-115.6-135.0 158.9 30.5 13.1 -4.0 64 64 A D > - 0 0 29 4,-2.3 3,-2.5 -2,-0.3 6,-0.1 -0.314 54.6 -76.3 -87.9-177.8 31.7 10.4 -6.5 65 65 A K T 3 S+ 0 0 207 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.646 134.0 49.1 -56.8 -15.5 35.4 9.8 -7.3 66 66 A D T 3 S- 0 0 131 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.416 121.5-101.3 -99.4 -4.6 35.4 13.0 -9.5 67 67 A G S < S+ 0 0 51 -3,-2.5 2,-0.2 1,-0.3 -2,-0.1 0.549 71.2 152.5 89.2 6.5 33.8 15.3 -7.0 68 68 A T - 0 0 26 1,-0.1 -4,-2.3 2,-0.0 -1,-0.3 -0.534 51.2 -98.3 -73.7 140.9 30.4 15.1 -8.7 69 69 A N E -gF 132 63A 5 62,-0.8 64,-2.6 -2,-0.2 -6,-0.2 -0.256 32.1-179.4 -64.6 130.6 27.3 15.7 -6.7 70 70 A L E - 0 0 2 -8,-1.7 -1,-0.1 2,-0.2 -7,-0.1 0.487 42.1-128.1-105.5 -8.7 25.4 12.7 -5.4 71 71 A E E + 0 0 10 -9,-0.4 -32,-2.9 1,-0.2 2,-0.4 0.574 68.2 118.2 69.8 18.1 22.8 15.0 -3.8 72 72 A L E -D 38 0A 1 -10,-0.4 -10,-3.5 -34,-0.3 2,-0.5 -0.942 45.8-163.7-118.0 136.8 23.1 13.3 -0.4 73 73 A T E -DF 37 61A 2 -36,-2.6 -36,-2.3 -2,-0.4 2,-0.5 -0.952 11.2-152.5-107.5 129.8 24.2 14.5 2.9 74 74 A L E -DF 36 60A 4 -14,-2.7 -14,-2.6 -2,-0.5 2,-0.4 -0.889 18.5-172.1-102.5 123.1 25.1 12.0 5.6 75 75 A L E -DF 35 59A 0 -40,-2.5 -40,-2.8 -2,-0.5 2,-0.5 -0.925 20.1-146.2-118.0 142.1 24.5 13.3 9.2 76 76 A K E -DF 34 58A 58 -18,-2.5 -19,-2.9 -2,-0.4 -18,-0.9 -0.953 26.7-142.2-103.0 129.2 25.4 11.9 12.5 77 77 A L E - F 0 56A 0 -44,-2.7 2,-1.2 -2,-0.5 -21,-0.2 -0.657 11.0-133.8 -96.2 143.1 22.8 12.7 15.1 78 78 A N E + F 0 55A 101 -23,-2.8 -23,-0.6 -2,-0.3 2,-0.3 -0.760 67.4 110.1 -88.9 88.5 23.2 13.7 18.8 79 79 A R - 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