==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 09-JAN-02 1KRI . COMPND 2 MOLECULE: VP4; . SOURCE 2 ORGANISM_SCIENTIFIC: RHESUS ROTAVIRUS; . AUTHOR P.R.DORMITZER,Z.-Y.J.SUN,G.WAGNER,S.C.HARRISON . 160 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8715.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 41.9 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 18 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 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 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 2 1 2 2 1 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 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 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 65 A L 0 0 96 0, 0.0 143,-0.2 0, 0.0 141,-0.0 0.000 360.0 360.0 360.0 125.2 14.8 7.5 -5.1 2 66 A D - 0 0 120 141,-0.6 142,-0.1 1,-0.2 140,-0.1 0.873 360.0 -50.4 -98.4 -66.7 13.3 10.2 -7.4 3 67 A G - 0 0 17 138,-0.1 2,-2.1 2,-0.0 140,-0.3 -0.932 50.9 -90.4-173.9 150.0 11.6 12.8 -5.2 4 68 A P - 0 0 70 0, 0.0 2,-0.5 0, 0.0 138,-0.2 -0.429 48.6-166.5 -68.7 80.3 9.0 13.3 -2.4 5 69 A Y B -A 141 0A 142 136,-2.4 136,-2.0 -2,-2.1 134,-0.1 -0.583 18.1-125.3 -74.2 120.4 6.0 13.6 -4.7 6 70 A Q - 0 0 135 -2,-0.5 134,-0.2 134,-0.2 131,-0.1 -0.103 41.1 -74.9 -59.6 162.2 3.0 15.0 -2.7 7 71 A P + 0 0 59 0, 0.0 2,-0.3 0, 0.0 131,-0.2 -0.265 68.4 139.8 -61.1 144.6 -0.3 13.1 -2.7 8 72 A T - 0 0 71 131,-0.1 129,-1.8 -3,-0.1 2,-0.5 -0.937 50.8 -99.5-178.3 158.0 -2.5 13.2 -5.8 9 73 A T E +B 136 0A 88 -2,-0.3 2,-0.3 127,-0.2 127,-0.2 -0.798 59.6 120.6 -95.0 127.2 -4.7 11.2 -8.1 10 74 A F E -B 135 0A 73 125,-2.0 125,-2.4 -2,-0.5 -2,-0.1 -0.949 66.6 -68.7-165.7-178.9 -3.2 10.0 -11.4 11 75 A N - 0 0 99 -2,-0.3 123,-0.1 123,-0.2 120,-0.0 -0.772 46.1-140.2 -90.7 106.6 -2.3 7.0 -13.5 12 76 A P - 0 0 8 0, 0.0 121,-0.1 0, 0.0 6,-0.0 -0.523 19.5-140.7 -69.2 116.3 0.5 5.0 -11.8 13 77 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 92,-0.1 0.352 18.7-111.4 -57.4-160.9 3.0 3.7 -14.4 14 78 A V S S+ 0 0 46 1,-0.1 92,-0.2 90,-0.1 132,-0.1 -0.861 84.6 37.8-135.9 170.1 4.6 0.2 -14.3 15 79 A D S S+ 0 0 48 90,-1.8 131,-1.9 -2,-0.3 2,-0.4 0.706 96.1 104.5 61.2 19.5 8.0 -1.4 -13.8 16 80 A Y E -C 145 0A 108 89,-0.3 89,-0.4 129,-0.2 2,-0.2 -0.995 70.0-128.6-136.3 130.7 8.6 1.3 -11.2 17 81 A W E -C 144 0A 0 127,-2.7 127,-2.1 -2,-0.4 2,-0.8 -0.521 14.0-144.7 -77.0 140.7 8.5 1.0 -7.4 18 82 A M E -CD 143 103A 26 85,-3.5 2,-1.0 -2,-0.2 85,-1.0 -0.797 11.2-162.2-109.6 89.6 6.4 3.4 -5.4 19 83 A L E -CD 142 102A 3 123,-1.5 123,-3.0 -2,-0.8 2,-0.7 -0.595 8.4-165.8 -74.6 102.3 8.2 4.2 -2.2 20 84 A L E -CD 141 101A 9 81,-1.9 81,-1.9 -2,-1.0 121,-0.2 -0.817 7.2-171.8 -95.1 114.4 5.5 5.7 0.1 21 85 A A - 0 0 16 119,-1.5 119,-0.4 -2,-0.7 79,-0.1 -0.758 12.8-172.8-107.8 85.9 6.9 7.4 3.1 22 86 A P - 0 0 25 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.086 22.8-144.9 -69.4 173.4 4.0 8.3 5.4 23 87 A T S S- 0 0 115 1,-0.3 2,-0.2 2,-0.2 116,-0.0 0.681 73.9 -5.8-110.7 -31.4 4.2 10.4 8.6 24 88 A A S S- 0 0 60 1,-0.2 -1,-0.3 3,-0.1 19,-0.1 -0.860 86.6 -64.1-150.8-176.3 1.5 8.7 10.7 25 89 A A S S+ 0 0 33 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.098 83.2 64.7 -64.9-175.2 -1.2 6.1 10.8 26 90 A G E S-E 43 0A 26 17,-1.8 17,-3.2 2,-0.0 2,-0.2 -0.600 95.2 -7.7 97.8-160.1 -4.3 6.2 8.7 27 91 A V E +E 42 0A 36 15,-0.2 15,-0.2 -2,-0.2 -3,-0.1 -0.474 50.8 169.9 -75.8 144.8 -4.7 6.1 4.9 28 92 A V E - 0 0 2 13,-1.9 110,-3.7 1,-0.4 111,-0.6 0.675 61.7 -21.3-120.4 -44.6 -1.6 6.2 2.7 29 93 A V E -EF 41 137A 11 12,-1.8 12,-2.1 108,-0.3 -1,-0.4 -0.980 53.1-169.8-166.0 158.2 -2.7 5.4 -0.8 30 94 A E E -EF 40 136A 16 106,-1.0 106,-3.4 -2,-0.3 2,-0.3 -0.951 1.0-169.6-149.5 166.7 -5.5 3.7 -2.8 31 95 A G E +EF 39 135A 4 8,-2.5 8,-2.0 104,-0.3 2,-0.3 -0.893 16.2 144.7-165.5 132.1 -6.3 2.6 -6.3 32 96 A T E -EF 38 134A 7 102,-1.5 102,-1.8 -2,-0.3 6,-0.2 -0.955 42.4-134.1-157.8 172.6 -9.3 1.4 -8.2 33 97 A N - 0 0 31 4,-2.3 5,-0.1 -2,-0.3 -1,-0.1 0.546 37.4-133.2-109.6 -15.0 -11.1 1.4 -11.6 34 98 A N S S+ 0 0 95 3,-0.7 4,-0.1 1,-0.1 50,-0.1 0.852 90.8 72.5 63.3 35.1 -14.7 2.1 -10.3 35 99 A T S S- 0 0 86 2,-0.3 49,-0.2 47,-0.0 -1,-0.1 0.483 120.5 -27.6-140.0 -53.1 -16.0 -0.7 -12.5 36 100 A D S S+ 0 0 107 1,-0.2 2,-0.2 47,-0.1 47,-0.1 -0.003 116.8 62.5-167.4 42.6 -15.0 -4.2 -11.2 37 101 A R + 0 0 37 92,-0.0 -4,-2.3 93,-0.0 -3,-0.7 -0.698 49.2 178.7-175.6 118.2 -11.8 -3.9 -9.2 38 102 A W E +EG 32 81A 10 43,-1.8 43,-1.0 -6,-0.2 2,-0.3 -0.974 3.5 172.5-129.0 141.8 -10.8 -2.0 -6.1 39 103 A L E +EG 31 80A 25 -8,-2.0 -8,-2.5 -2,-0.4 2,-0.2 -0.825 7.6 173.3-152.0 107.1 -7.5 -1.8 -4.2 40 104 A A E -EG 30 79A 2 39,-1.6 39,-1.3 -2,-0.3 2,-0.4 -0.694 18.3-146.7-111.5 165.3 -6.8 0.5 -1.3 41 105 A T E +EG 29 78A 8 -12,-2.1 -13,-1.9 -2,-0.2 -12,-1.8 -0.953 21.8 167.9-138.0 116.6 -3.9 0.8 1.2 42 106 A I E -EG 27 77A 8 35,-2.3 35,-2.9 -2,-0.4 2,-0.4 -0.874 22.6-137.3-125.9 158.9 -4.2 1.9 4.8 43 107 A L E -EG 26 76A 6 -17,-3.2 -17,-1.8 -2,-0.3 2,-0.4 -0.913 10.4-145.9-118.6 144.4 -1.9 1.8 7.8 44 108 A V E - G 0 75A 1 31,-1.0 31,-1.6 -2,-0.4 4,-0.1 -0.898 17.7-124.6-111.7 137.1 -2.6 0.9 11.4 45 109 A E - 0 0 111 -2,-0.4 29,-0.1 29,-0.2 27,-0.1 -0.483 38.4 -93.2 -77.5 146.9 -1.1 2.5 14.5 46 110 A P S S+ 0 0 21 0, 0.0 25,-0.2 0, 0.0 -1,-0.1 -0.044 99.0 35.3 -54.2 159.7 0.8 0.2 17.0 47 111 A N S S+ 0 0 103 23,-1.5 2,-0.3 26,-0.2 22,-0.2 0.945 71.1 158.6 56.1 95.2 -1.1 -1.1 20.1 48 112 A V E -L 68 0B 16 20,-1.7 20,-2.2 22,-0.1 2,-1.5 -0.876 36.4-155.8-152.7 114.7 -4.7 -1.9 19.0 49 113 A T E S- 0 0 128 -2,-0.3 18,-0.1 18,-0.2 20,-0.1 -0.340 70.6 -74.5 -85.9 55.5 -7.1 -4.2 20.6 50 114 A S E S- 0 0 88 -2,-1.5 2,-0.3 18,-0.1 17,-0.2 0.926 70.9-179.8 51.9 98.3 -9.1 -4.8 17.4 51 115 A E E -L 66 0B 108 15,-2.1 15,-2.5 -3,-0.1 2,-0.5 -0.854 24.5-141.7-126.3 162.1 -11.2 -1.6 16.8 52 116 A T E +L 65 0B 85 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.919 24.5 174.6-129.7 106.5 -13.6 -0.5 14.1 53 117 A R E -L 64 0B 160 11,-1.4 11,-2.7 -2,-0.5 2,-0.5 -0.683 32.2-111.6-107.7 162.7 -13.5 3.1 12.9 54 118 A S E +L 63 0B 60 9,-0.3 2,-0.3 -2,-0.2 9,-0.3 -0.834 42.4 165.7 -98.3 124.5 -15.4 4.9 10.2 55 119 A Y E -L 62 0B 83 7,-3.3 7,-3.7 -2,-0.5 2,-0.8 -0.903 40.5-105.3-134.1 162.2 -13.4 6.1 7.2 56 120 A T E -L 61 0B 89 -2,-0.3 2,-0.8 5,-0.3 5,-0.3 -0.794 30.9-164.0 -92.9 110.4 -14.1 7.4 3.6 57 121 A L E > S-L 60 0B 5 3,-3.0 3,-1.8 -2,-0.8 6,-0.0 -0.831 75.5 -27.0 -98.4 107.2 -13.3 4.7 1.1 58 122 A F T 3 S- 0 0 51 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.828 127.2 -50.1 59.9 32.4 -13.0 6.2 -2.4 59 123 A G T 3 S+ 0 0 64 1,-0.2 2,-0.6 -3,-0.2 -1,-0.3 -0.010 120.3 109.0 96.8 -29.9 -15.4 8.9 -1.3 60 124 A T E < S-L 57 0B 54 -3,-1.8 -3,-3.0 -4,-0.1 2,-0.2 -0.723 73.1-124.3 -86.3 121.6 -17.9 6.5 0.1 61 125 A Q E +L 56 0B 135 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.3 -0.459 45.3 156.9 -66.6 127.0 -18.1 6.5 3.9 62 126 A E E -L 55 0B 45 -7,-3.7 -7,-3.3 -2,-0.2 2,-0.5 -0.933 41.0-109.5-146.3 167.7 -17.5 3.0 5.3 63 127 A Q E -L 54 0B 129 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.3 -0.899 32.1-170.7-107.2 127.0 -16.4 1.3 8.5 64 128 A I E -L 53 0B 3 -11,-2.7 -11,-1.4 -2,-0.5 2,-0.4 -0.805 13.6-137.8-114.9 156.8 -13.0 -0.5 8.6 65 129 A T E +L 52 0B 61 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.946 25.0 171.1-117.7 133.7 -11.5 -2.8 11.2 66 130 A I E +L 51 0B 28 -15,-2.5 -15,-2.1 -2,-0.4 2,-0.3 -0.838 5.0 175.9-133.5 170.6 -7.8 -2.6 12.4 67 131 A A E - 0 0 30 -2,-0.3 2,-0.3 -17,-0.2 -18,-0.2 -0.979 8.1-166.2-165.9 169.0 -5.6 -4.2 15.0 68 132 A N E -L 48 0B 13 -20,-2.2 -20,-1.7 -2,-0.3 -18,-0.1 -0.937 16.0-175.1-166.8 142.3 -2.0 -4.4 16.3 69 133 A A + 0 0 102 -2,-0.3 -1,-0.1 -22,-0.2 -20,-0.0 0.547 66.9 83.2-114.8 -16.7 0.0 -6.5 18.7 70 134 A S - 0 0 25 3,-0.3 -23,-1.5 1,-0.1 -22,-0.1 -0.215 67.5-141.2 -82.1 176.6 3.3 -4.6 18.6 71 135 A Q S S+ 0 0 154 -25,-0.2 -1,-0.1 -24,-0.1 3,-0.0 0.712 96.9 11.4-108.5 -34.3 4.3 -1.5 20.6 72 136 A T S S+ 0 0 87 -27,-0.1 2,-0.4 2,-0.1 -27,-0.0 -0.011 104.8 99.8-135.9 30.4 6.3 0.5 18.0 73 137 A Q - 0 0 32 25,-0.1 -3,-0.3 26,-0.0 -26,-0.2 -0.975 61.3-136.9-124.2 131.8 5.5 -1.4 14.8 74 138 A W E - H 0 96A 33 22,-1.9 22,-1.0 -2,-0.4 2,-0.5 -0.440 8.3-146.1 -82.3 157.6 3.0 -0.4 12.1 75 139 A K E -GH 44 95A 72 -31,-1.6 -31,-1.0 20,-0.2 2,-0.2 -0.872 9.5-154.2-130.0 99.4 0.7 -2.8 10.4 76 140 A F E -GH 43 94A 1 18,-2.6 18,-1.0 -2,-0.5 2,-0.4 -0.521 10.7-164.6 -73.9 134.4 -0.2 -2.1 6.7 77 141 A I E -G 42 0A 18 -35,-2.9 -35,-2.3 -2,-0.2 2,-0.5 -0.980 5.5-157.6-126.2 124.4 -3.5 -3.5 5.5 78 142 A D E -GH 41 91A 17 13,-2.7 13,-3.4 -2,-0.4 2,-0.3 -0.877 11.1-162.4-103.8 125.2 -4.5 -3.8 1.9 79 143 A V E -GH 40 90A 2 -39,-1.3 -39,-1.6 -2,-0.5 2,-0.3 -0.696 6.4-173.3-104.2 157.3 -8.2 -4.0 1.0 80 144 A V E -GH 39 89A 51 9,-1.2 9,-1.9 -2,-0.3 2,-0.3 -0.990 2.8-171.9-151.8 141.1 -9.9 -5.2 -2.2 81 145 A K E -G 38 0A 10 -43,-1.0 -43,-1.8 -2,-0.3 7,-0.1 -0.868 21.3-151.3-130.5 163.9 -13.4 -5.2 -3.6 82 146 A T S S+ 0 0 73 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.721 81.6 12.9-103.7 -31.8 -15.2 -6.7 -6.6 83 147 A T S > S- 0 0 63 -47,-0.1 3,-2.0 4,-0.1 2,-0.3 -0.886 98.1 -67.4-140.2 170.4 -17.9 -4.2 -7.0 84 148 A Q T 3 S- 0 0 121 1,-0.3 -46,-0.0 -2,-0.3 -2,-0.0 -0.449 119.9 -11.3 -63.8 118.7 -19.0 -0.7 -5.9 85 149 A N T 3 S+ 0 0 96 -2,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.809 114.9 117.1 59.8 30.0 -19.8 -0.9 -2.2 86 150 A G < - 0 0 46 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.577 66.3 -4.1 -93.5-117.3 -19.7 -4.7 -2.5 87 151 A S - 0 0 66 2,-0.0 -1,-0.2 1,-0.0 -2,-0.1 0.035 54.4-159.9 -68.2-177.2 -17.2 -7.0 -0.7 88 152 A Y + 0 0 50 -7,-0.1 2,-0.6 -3,-0.1 -7,-0.2 -0.418 12.1 174.7-171.1 85.4 -14.3 -5.8 1.5 89 153 A S E -H 80 0A 61 -9,-1.9 -9,-1.2 -2,-0.1 2,-0.9 -0.876 17.1-154.3-103.0 122.2 -11.4 -8.1 2.2 90 154 A Q E +H 79 0A 66 -2,-0.6 -11,-0.3 -11,-0.2 2,-0.2 -0.819 36.6 139.3 -98.6 102.8 -8.5 -6.7 4.2 91 155 A Y E +H 78 0A 167 -13,-3.4 -13,-2.7 -2,-0.9 -2,-0.0 -0.710 20.4 85.9-131.0-178.0 -5.3 -8.6 3.3 92 156 A G E - 0 0 3 -2,-0.2 2,-0.3 -15,-0.2 -1,-0.1 0.945 56.4-154.3 87.0 59.8 -1.6 -8.0 2.7 93 157 A P E + 0 0 78 0, 0.0 22,-1.6 0, 0.0 2,-0.3 -0.500 22.1 166.3 -70.4 127.4 0.0 -7.9 6.2 94 158 A L E -Hi 76 115A 2 -18,-1.0 -18,-2.6 -2,-0.3 2,-0.5 -0.885 19.8-158.9-148.0 111.8 3.2 -5.9 6.3 95 159 A Q E -Hi 75 116A 40 20,-1.4 22,-0.7 -2,-0.3 2,-0.5 -0.797 10.1-169.7 -94.7 126.6 5.0 -4.8 9.5 96 160 A S E +H 74 0A 0 -22,-1.0 -22,-1.9 -2,-0.5 61,-0.1 -0.966 15.7 175.8-120.2 126.2 7.3 -1.8 9.2 97 161 A T S S+ 0 0 59 -2,-0.5 -1,-0.1 59,-0.3 60,-0.1 0.896 86.4 40.7 -90.8 -50.9 9.7 -0.8 12.0 98 162 A P S S- 0 0 32 0, 0.0 -1,-0.1 0, 0.0 59,-0.1 0.454 117.8-110.0 -77.8 -0.3 11.7 2.1 10.4 99 163 A K + 0 0 115 1,-0.2 2,-0.2 57,-0.1 61,-0.1 0.916 65.5 132.9 69.1 97.7 8.4 3.4 8.8 100 164 A L - 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