Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ko3_S.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ LEU 33.A O no hydrogen 2.888 N/A LYS 3.A NZ ILE 37.A O no hydrogen 3.024 N/A ALA 4.A N VAL 36.A O no hydrogen 3.052 N/A VAL 6.A N SER 38.A O no hydrogen 2.918 N/A ILE 7.A N PHE 69.A O no hydrogen 2.930 N/A TRP 8.A N PHE 41.A O no hydrogen 2.896 N/A TRP 8.A NE1 GLU 73.A OE2 no hydrogen 2.829 N/A VAL 9.A N LEU 71.A O no hydrogen 2.854 N/A GLN 10.A NE2 THR 44.A OG1 no hydrogen 3.071 N/A GLN 10.A NE2 GLU 73.A OE2 no hydrogen 3.008 N/A GLY 11.A N GLU 73.A O no hydrogen 2.851 N/A GLN 12.A N ALA 75.A O no hydrogen 2.816 N/A GLN 12.A NE2 THR 136.A OG1 no hydrogen 3.027 N/A CYS 17.A SG VAL 119.A O no hydrogen 3.674 N/A SER 18.A N GLU 73.A OE1 no hydrogen 2.945 N/A SER 18.A OG HIS 42.A NE2 no hydrogen 2.763 N/A SER 18.A OG GLU 73.A OE2 no hydrogen 2.703 N/A VAL 19.A N THR 15.A O no hydrogen 2.866 N/A SER 20.A N GLY 16.A O no hydrogen 2.865 N/A SER 20.A OG PRO 162.A O no hydrogen 2.776 N/A LEU 21.A N CYS 17.A O no hydrogen 3.006 N/A LEU 22.A N SER 18.A O no hydrogen 3.004 N/A ASN 23.A N SER 20.A O no hydrogen 2.990 N/A ALA 24.A N LEU 21.A O no hydrogen 3.008 N/A ILE 32.A N ARG 28.A O no hydrogen 2.997 N/A LEU 33.A N ILE 29.A O no hydrogen 2.898 N/A LEU 34.A N LYS 30.A O no hydrogen 2.943 N/A ASP 35.A N GLU 31.A O no hydrogen 2.810 N/A VAL 36.A N ILE 32.A O no hydrogen 3.062 N/A ILE 37.A N ILE 32.A O no hydrogen 2.907 N/A SER 38.A N ALA 4.A O no hydrogen 2.782 N/A SER 38.A OG GLU 40.A OE2 no hydrogen 2.698 N/A GLU 40.A N VAL 6.A O no hydrogen 2.877 N/A HIS 42.A NE2 SER 18.A OG no hydrogen 2.763 N/A THR 44.A N HIS 42.A ND1 no hydrogen 3.115 N/A VAL 45.A N HIS 42.A O no hydrogen 3.345 N/A MET 46.A N HIS 42.A O no hydrogen 3.103 N/A ALA 53.A N GLU 49.A O no hydrogen 3.102 N/A LEU 54.A N GLY 50.A O no hydrogen 3.027 N/A ALA 55.A N GLU 51.A O no hydrogen 2.844 N/A HIS 56.A N MET 52.A O no hydrogen 2.963 N/A HIS 56.A NE2 GLU 40.A OE1 no hydrogen 2.853 N/A MET 57.A N ALA 53.A O no hydrogen 2.976 N/A TYR 58.A N LEU 54.A O no hydrogen 2.967 N/A GLU 59.A N ALA 55.A O no hydrogen 2.872 N/A ILE 60.A N HIS 56.A O no hydrogen 2.921 N/A ALA 61.A N MET 57.A O no hydrogen 2.925 N/A GLU 62.A N TYR 58.A O no hydrogen 2.955 N/A LYS 63.A N GLU 59.A O no hydrogen 2.798 N/A LYS 63.A NZ.A GLU 59.A OE2.A no hydrogen 3.300 N/A LYS 63.A NZ.A GLU 59.A OE2.B no hydrogen 1.865 N/A PHE 64.A N ILE 60.A O no hydrogen 2.762 N/A ASN 65.A N GLU 62.A O no hydrogen 3.155 N/A GLY 66.A N LYS 112.A O no hydrogen 2.698 N/A ASN 67.A N PHE 64.A O no hydrogen 2.757 N/A ASN 67.A ND2.A ASN 65.A O no hydrogen 2.996 N/A PHE 69.A N PRO 5.A O no hydrogen 2.828 N/A LEU 70.A N ALA 115.A O no hydrogen 2.997 N/A LEU 71.A N ILE 7.A O no hydrogen 2.833 N/A VAL 72.A N VAL 117.A O no hydrogen 2.994 N/A GLU 73.A N VAL 9.A O no hydrogen 2.948 N/A ALA 75.A N GLN 12.A O no hydrogen 3.153 N/A ILE 76.A N LYS 139.A O no hydrogen 2.835 N/A THR 78.A N GLY 137.A O no hydrogen 2.957 N/A THR 78.A OG1 GLY 137.A O no hydrogen 2.928 N/A ALA 79.A N THR 136.A O no hydrogen 2.998 N/A GLY 82.A N ALA 79.A O no hydrogen 3.010 N/A ARG 83.A N LYS 80.A O no hydrogen 3.060 N/A ARG 83.A NE LYS 80.A O no hydrogen 2.923 N/A ARG 83.A NH1 GLU 81.A OE1 no hydrogen 2.896 N/A CYS 85.A N GLY 82.A O no hydrogen 3.200 N/A VAL 87.A N VAL 100.A O no hydrogen 2.837 N/A THR 90.A N HIS 98.A O no hydrogen 2.767 N/A THR 90.A OG1 HIS 98.A O no hydrogen 3.418 N/A ASP 92.A N HIS 96.A O no hydrogen 3.240 N/A LYS 94.A N ASP 92.A OD1 no hydrogen 3.236 N/A GLY 95.A N ASP 92.A OD1 no hydrogen 2.930 N/A HIS 96.A N ASP 92.A OD1 no hydrogen 2.844 N/A HIS 98.A N THR 90.A O no hydrogen 2.685 N/A HIS 98.A NE2.A ASP 92.A OD2 no hydrogen 2.821 N/A VAL 100.A N GLY 88.A O no hydrogen 2.834 N/A THR 101.A N GLU 104.A OE1 no hydrogen 3.003 N/A MET 102.A N CYS 85.A O no hydrogen 2.888 N/A GLU 104.A N THR 101.A OG1 no hydrogen 3.062 N/A LEU 105.A N THR 101.A O no hydrogen 2.922 N/A ILE 106.A N MET 102.A O no hydrogen 3.002 N/A ARG 107.A N MET 103.A O no hydrogen 3.001 N/A ARG 107.A NE GLU 148.A OE1 no hydrogen 2.760 N/A ARG 107.A NE GLU 148.A OE2 no hydrogen 3.464 N/A ARG 107.A NH2 GLU 148.A OE2 no hydrogen 2.825 N/A ASP 108.A N GLU 104.A O no hydrogen 3.034 N/A LEU 109.A N LEU 105.A O no hydrogen 2.864 N/A ALA 110.A N ILE 106.A O no hydrogen 2.923 N/A LYS 112.A N LEU 109.A O no hydrogen 2.985 N/A LYS 112.A NZ ASP 108.A OD1 no hydrogen 2.706 N/A SER 113.A N ALA 110.A O no hydrogen 3.046 N/A SER 113.A OG ALA 110.A O no hydrogen 2.736 N/A LEU 114.A N PHE 68.A O no hydrogen 2.764 N/A THR 116.A N LEU 153.A O no hydrogen 2.901 N/A VAL 117.A N LEU 70.A O no hydrogen 2.819 N/A ALA 118.A N VAL 155.A O no hydrogen 2.886 N/A VAL 119.A N VAL 72.A O no hydrogen 3.018 N/A GLY 120.A N VAL 157.A O no hydrogen 2.802 N/A THR 121.A N GLY 159.A O no hydrogen 2.946 N/A THR 121.A OG1 CYS 263.A O no hydrogen 2.614 N/A CYS 122.A SG GLN 12.A O no hydrogen 4.027 N/A SER 123.A OG VAL 72.A O no hydrogen 2.893 N/A SER 123.A OG VAL 119.A O no hydrogen 2.720 N/A SER 123.A OG GLY 120.A O no hydrogen 3.290 N/A ALA 124.A N GLY 120.A O no hydrogen 2.983 N/A TYR 125.A N THR 121.A O no hydrogen 2.827 N/A TYR 125.A OH ASP 192.A O no hydrogen 2.739 N/A GLY 126.A N CYS 122.A O no hydrogen 2.836 N/A ALA 130.A N GLY 126.A O no hydrogen 3.390 N/A ALA 130.A N GLY 127.A O no hydrogen 3.139 N/A ALA 131.A N ILE 128.A O no hydrogen 3.001 N/A GLU 132.A N ASP 270.A OD2 no hydrogen 2.801 N/A ASN 134.A N ALA 131.A O no hydrogen 3.127 N/A ASN 134.A ND2 ALA 131.A O no hydrogen 3.044 N/A THR 136.A N ASN 134.A OD1 no hydrogen 3.014 N/A THR 136.A OG1 ASN 134.A OD1 no hydrogen 3.375 N/A SER 138.A OG GLN 12.A OE1 no hydrogen 2.841 N/A LYS 139.A N ILE 76.A O no hydrogen 2.829 N/A LYS 139.A NZ.A ASP 147.A OD2 no hydrogen 2.717 N/A VAL 141.A N SER 123.A O no hydrogen 2.789 N/A ARG 142.A NH2 ASP 192.A OD1 no hydrogen 2.879 N/A ASP 143.A N SER 140.A OG no hydrogen 3.074 N/A PHE 144.A N SER 140.A O no hydrogen 2.919 N/A PHE 145.A N VAL 141.A O no hydrogen 2.816 N/A ALA 146.A N ARG 142.A O no hydrogen 2.988 N/A ASP 147.A N ASP 143.A O no hydrogen 2.881 N/A GLU 148.A N PHE 144.A O no hydrogen 2.831 N/A LYS 149.A N ALA 146.A O no hydrogen 3.225 N/A ILE 150.A N PHE 145.A O no hydrogen 2.888 N/A LYS 152.A NZ SER 113.A O no hydrogen 2.814 N/A VAL 155.A N THR 116.A O no hydrogen 2.986 N/A ASN 156.A N GLY 193.A O no hydrogen 2.947 N/A ASN 156.A ND2 ASP 192.A O no hydrogen 3.042 N/A VAL 157.A N ALA 118.A O no hydrogen 2.812 N/A GLY 159.A N THR 121.A OG1 no hydrogen 2.868 N/A ASP 165.A N HIS 163.A ND1 no hydrogen 2.990 N/A TRP 166.A N HIS 163.A O no hydrogen 2.931 N/A TRP 166.A NE1 ASP 241.A OD1 no hydrogen 2.834 N/A MET 167.A N HIS 163.A O no hydrogen 3.339 N/A VAL 168.A N PRO 164.A O no hydrogen 2.866 N/A GLY 169.A N ASP 165.A O no hydrogen 2.885 N/A THR 170.A N TRP 166.A O no hydrogen 3.064 N/A THR 170.A OG1 TRP 166.A O no hydrogen 2.763 N/A LEU 171.A N MET 167.A O no hydrogen 3.005 N/A VAL 172.A N VAL 168.A O no hydrogen 2.870 N/A ALA 173.A N GLY 169.A O no hydrogen 3.010 N/A ALA 174.A N THR 170.A O no hydrogen 2.868 N/A TRP 175.A N LEU 171.A O no hydrogen 2.939 N/A TRP 175.A NE1 LYS 2.A O no hydrogen 3.157 N/A SER 176.A N VAL 172.A O no hydrogen 2.858 N/A SER 176.A OG VAL 172.A O no hydrogen 2.915 N/A HIS 177.A N ALA 173.A O no hydrogen 3.033 N/A HIS 177.A ND1 HIS 184.A O no hydrogen 2.809 N/A VAL 178.A N ALA 174.A O no hydrogen 3.061 N/A LEU 179.A N TRP 175.A O no hydrogen 2.999 N/A ASN 180.A N SER 176.A O no hydrogen 2.956 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 3.517 N/A GLU 183.A N ASN 180.A OD1 no hydrogen 3.178 N/A HIS 184.A N ASN 180.A O no hydrogen 2.999 N/A ASP 190.A N ARG 194.A O no hydrogen 2.913 N/A ASP 192.A N ASP 190.A OD1 no hydrogen 2.846 N/A GLY 193.A N ASP 190.A O no hydrogen 3.001 N/A ARG 194.A N ASP 190.A OD1 no hydrogen 3.168 N/A ARG 194.A NE ASP 190.A OD2 no hydrogen 2.856 N/A ARG 194.A NH1 GLU 265.A OE2 no hydrogen 3.006 N/A ARG 194.A NH2 GLU 265.A OE1 no hydrogen 3.555 N/A ARG 194.A NH2 GLU 265.A OE2 no hydrogen 2.928 N/A LEU 196.A N GLU 188.A O no hydrogen 2.972 N/A PHE 198.A N PRO 195.A O no hydrogen 3.120 N/A PHE 199.A N PRO 195.A O no hydrogen 2.946 N/A GLY 200.A N LEU 196.A O no hydrogen 3.065 N/A ASN 202.A ND2 GLY 235.A O no hydrogen 3.653 N/A ASN 202.A ND2 PRO 236.A O no hydrogen 2.973 N/A ILE 203.A N THR 238.A O no hydrogen 2.911 N/A HIS 204.A N GLY 235.A O no hydrogen 3.209 N/A GLU 205.A N ASN 202.A OD1 no hydrogen 2.919 N/A ASN 206.A N ASN 202.A O no hydrogen 3.289 N/A ASN 206.A N ILE 203.A O no hydrogen 3.047 N/A ASN 206.A ND2 ASN 202.A O no hydrogen 2.883 N/A CYS 207.A N HIS 204.A O no hydrogen 3.046 N/A LEU 210.A N CYS 207.A O no hydrogen 3.086 N/A TYR 213.A N TYR 209.A O no hydrogen 2.974 N/A ASP 214.A N LEU 210.A O no hydrogen 2.879 N/A ASN 215.A N ASP 211.A O no hydrogen 3.142 N/A ASN 215.A N LYS 212.A O no hydrogen 3.073 N/A ASN 215.A ND2 GLU 217.A OE1 no hydrogen 2.617 N/A SER 216.A N TYR 213.A O no hydrogen 3.034 N/A GLU 217.A N LYS 212.A O no hydrogen 2.877 N/A ALA 219.A N CYS 227.A O no hydrogen 2.862 N/A THR 223.A N THR 221.A OG1 no hydrogen 3.257 N/A LYS 224.A N THR 221.A O no hydrogen 3.117 N/A CYS 227.A N GLU 217.A O no hydrogen 2.801 N/A LYS 228.A NZ VAL 255.A O no hydrogen 2.729 N/A LYS 228.A NZ GLU 256.A O no hydrogen 2.880 N/A LYS 228.A NZ ALA 258.A O no hydrogen 2.918 N/A LEU 231.A N LYS 228.A O no hydrogen 2.943 N/A GLY 232.A N ALA 229.A O no hydrogen 3.186 N/A CYS 233.A N LYS 228.A O no hydrogen 3.399 N/A LYS 234.A N CYS 260.A O no hydrogen 2.875 N/A LYS 234.A NZ GLY 232.A O no hydrogen 2.731 N/A LYS 234.A NZ LYS 272.A O no hydrogen 3.121 N/A LYS 234.A NZ PRO 274.A O no hydrogen 3.004 N/A LYS 234.A NZ VAL 277.A O no hydrogen 3.154 N/A SER 237.A N LYS 234.A O no hydrogen 3.013 N/A SER 237.A OG LYS 234.A O no hydrogen 3.301 N/A SER 237.A OG GLU 279.A OE1.A no hydrogen 2.595 N/A SER 237.A OG GLU 279.A OE2.B no hydrogen 2.699 N/A THR 238.A N GLY 235.A O no hydrogen 3.292 N/A THR 238.A OG1 LYS 234.A O no hydrogen 2.675 N/A TYR 239.A N GLU 265.A OE2 no hydrogen 2.944 N/A LYS 244.A N ASP 241.A O no hydrogen 2.952 N/A ARG 245.A N ASP 241.A O no hydrogen 2.942 N/A ARG 245.A NE ASP 241.A OD1 no hydrogen 3.064 N/A ARG 245.A NE ASP 241.A OD2 no hydrogen 3.214 N/A ARG 245.A NH1 ASP 165.A OD2 no hydrogen 2.809 N/A ARG 245.A NH2 ASP 241.A OD2 no hydrogen 2.868 N/A ARG 246.A N CYS 242.A O no hydrogen 2.776 N/A ARG 246.A NE ALA 243.A O no hydrogen 2.727 N/A TRP 247.A N ASN 252.A O no hydrogen 2.806 N/A ILE 251.A N ASN 248.A O no hydrogen 3.387 N/A ASN 252.A N TRP 247.A O no hydrogen 3.466 N/A TRP 253.A N ASN 252.A OD1 no hydrogen 2.851 N/A ASN 257.A N TRP 253.A O no hydrogen 3.045 N/A ALA 258.A N CYS 254.A O no hydrogen 2.688 N/A GLU 265.A N GLY 262.A O no hydrogen 3.117 N/A PHE 268.A N GLU 265.A O no hydrogen 2.956 N/A GLY 271.A N ASP 267.A O no hydrogen 2.759 N/A LYS 272.A N PRO 269.A O no hydrogen 2.937 N/A LYS 272.A NZ SER 237.A O no hydrogen 3.371 N/A LYS 272.A NZ SER 237.A OG no hydrogen 3.091 N/A LYS 272.A NZ ASP 267.A OD1 no hydrogen 3.418 N/A SER 273.A N ASP 270.A O no hydrogen 3.358 N/A SER 273.A OG PRO 269.A O no hydrogen 2.706 N/A