Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N VAL 61.A O no hydrogen 2.664 N/A SER 7.A N ASP 5.A OD1 no hydrogen 2.940 N/A SER 7.A OG ASP 5.A OD1 no hydrogen 2.967 N/A GLU 8.A N ASP 5.A O no hydrogen 2.873 N/A LEU 9.A N PRO 6.A O no hydrogen 3.107 N/A THR 10.A N TYR 24.A O no hydrogen 3.064 N/A VAL 12.A N LEU 22.A O no hydrogen 2.947 N/A GLN 13.A N LEU 22.A O no hydrogen 3.107 N/A GLN 13.A NE2 GLU 14.A O no hydrogen 3.086 N/A ILE 15.A N VAL 20.A O no hydrogen 2.831 N/A GLY 16.A N VAL 20.A O no hydrogen 3.168 N/A VAL 20.A N GLY 16.A O no hydrogen 2.892 N/A HIS 21.A N ILE 33.A O no hydrogen 2.858 N/A LEU 22.A N GLN 13.A O no hydrogen 2.783 N/A GLY 23.A N VAL 31.A O no hydrogen 2.908 N/A TYR 24.A N THR 10.A O no hydrogen 2.910 N/A TRP 25.A N ASP 29.A O no hydrogen 2.798 N/A TRP 25.A NE1 GLU 8.A OE1 no hydrogen 3.182 N/A LEU 26.A N GLU 8.A O no hydrogen 2.949 N/A LYS 28.A N TRP 25.A O no hydrogen 3.003 N/A LYS 28.A NZ ASP 29.A OD1 no hydrogen 2.918 N/A ASP 29.A N TRP 25.A O no hydrogen 3.079 N/A LYS 30.A NZ GLU 76.A OE2 no hydrogen 3.473 N/A VAL 31.A N GLY 23.A O no hydrogen 2.831 N/A ALA 32.A N PHE 72.A O no hydrogen 2.956 N/A ILE 33.A N HIS 21.A O no hydrogen 2.877 N/A LYS 34.A N LEU 70.A O no hydrogen 2.873 N/A THR 35.A N LEU 19.A O no hydrogen 2.700 N/A ILE 36.A N ILE 68.A O no hydrogen 2.989 N/A ILE 41.A N GLU 37.A O no hydrogen 3.059 N/A GLU 42.A N GLU 38.A O no hydrogen 3.103 N/A GLU 43.A N ASP 39.A O no hydrogen 3.112 N/A GLU 45.A N ILE 41.A O no hydrogen 3.199 N/A VAL 46.A N GLU 42.A O no hydrogen 3.099 N/A MET 47.A N GLU 43.A O no hydrogen 3.045 N/A MET 48.A N ALA 44.A O no hydrogen 2.928 N/A LYS 49.A N VAL 46.A O no hydrogen 3.324 N/A LEU 50.A N MET 47.A O no hydrogen 3.180 N/A SER 51.A N TYR 109.A OH no hydrogen 3.114 N/A LYS 54.A N HIS 52.A ND1 no hydrogen 2.814 N/A LYS 54.A NZ ASP 102.A OD1 no hydrogen 2.810 N/A LYS 54.A NZ GLU 105.A OE1 no hydrogen 2.821 N/A LEU 55.A N HIS 52.A O no hydrogen 3.094 N/A VAL 56.A N VAL 135.A O no hydrogen 2.942 N/A GLN 57.A N GLU 73.A OE2 no hydrogen 2.778 N/A TYR 59.A N VAL 71.A O no hydrogen 2.721 N/A GLY 60.A N VAL 71.A O no hydrogen 3.200 N/A VAL 61.A N SER 2.A O no hydrogen 3.215 N/A CYS 62.A N CYS 69.A O no hydrogen 2.892 N/A CYS 62.A SG ILE 4.A O no hydrogen 3.467 N/A CYS 69.A N CYS 62.A O no hydrogen 3.309 N/A LEU 70.A N LYS 34.A O no hydrogen 2.914 N/A VAL 71.A N GLY 60.A O no hydrogen 2.927 N/A PHE 72.A N ALA 32.A O no hydrogen 2.918 N/A GLU 73.A N GLN 57.A O no hydrogen 3.106 N/A HIS 77.A N VAL 127.A O no hydrogen 2.916 N/A HIS 77.A ND1 GLY 128.A O no hydrogen 3.281 N/A GLY 78.A N MET 75.A O no hydrogen 3.331 N/A CYS 79.A SG.A ARG 123.A O.A no hydrogen 3.810 N/A CYS 79.A SG.A ARG 123.A O.B no hydrogen 3.816 N/A CYS 79.A SG.B SER 81.A OG no hydrogen 3.215 N/A LEU 80.A N CYS 125.A O no hydrogen 2.877 N/A SER 81.A N ALA 122.A O no hydrogen 3.327 N/A TYR 83.A N CYS 79.A O.A no hydrogen 2.970 N/A TYR 83.A N CYS 79.A O.B no hydrogen 3.020 N/A TYR 83.A OH GLN 131.A OE1 no hydrogen 3.405 N/A LEU 84.A N LEU 80.A O no hydrogen 2.923 N/A ARG 85.A N SER 81.A O no hydrogen 3.309 N/A ARG 85.A NE GLY 176.A O no hydrogen 2.931 N/A THR 86.A N ASP 82.A O no hydrogen 2.915 N/A THR 86.A OG1 TYR 83.A O no hydrogen 3.441 N/A GLN 87.A N TYR 83.A O no hydrogen 3.118 N/A ARG 88.A N ARG 85.A O no hydrogen 3.256 N/A ARG 88.A NE GLU 175.A O no hydrogen 3.019 N/A ARG 88.A NH2 GLU 175.A O no hydrogen 2.817 N/A LEU 90.A N GLN 87.A O no hydrogen 3.029 N/A THR 95.A N ALA 92.A O no hydrogen 3.169 N/A LEU 96.A N ALA 92.A O no hydrogen 3.258 N/A LEU 97.A N ALA 93.A O no hydrogen 2.950 N/A GLY 98.A N GLU 94.A O no hydrogen 2.954 N/A MET 99.A N THR 95.A O no hydrogen 3.033 N/A CYS 100.A N LEU 96.A O no hydrogen 3.216 N/A CYS 100.A SG LEU 96.A O no hydrogen 3.562 N/A LEU 101.A N LEU 97.A O no hydrogen 2.939 N/A ASP 102.A N GLY 98.A O no hydrogen 3.014 N/A VAL 103.A N MET 99.A O no hydrogen 3.215 N/A CYS 104.A N CYS 100.A O no hydrogen 2.899 N/A CYS 104.A SG PHE 226.A O no hydrogen 3.507 N/A GLU 105.A N LEU 101.A O no hydrogen 2.951 N/A GLY 106.A N ASP 102.A O no hydrogen 3.206 N/A MET 107.A N VAL 103.A O no hydrogen 2.928 N/A ALA 108.A N CYS 104.A O no hydrogen 2.868 N/A ALA 108.A N GLU 105.A O no hydrogen 3.176 N/A TYR 109.A N GLU 105.A O no hydrogen 3.156 N/A LEU 110.A N GLY 106.A O no hydrogen 3.055 N/A GLU 111.A N MET 107.A O no hydrogen 2.844 N/A GLU 112.A N ALA 108.A O no hydrogen 3.035 N/A ALA 113.A N TYR 109.A O no hydrogen 3.022 N/A CYS 114.A N GLU 111.A O no hydrogen 3.115 N/A VAL 115.A N LEU 110.A O no hydrogen 2.872 N/A HIS 117.A N ASP 161.A OD2 no hydrogen 2.725 N/A HIS 117.A NE2 SER 136.A O no hydrogen 2.906 N/A ARG 118.A N ASP 161.A OD1 no hydrogen 3.107 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 3.136 N/A ALA 122.A N GLU 171.A OE1 no hydrogen 2.926 N/A ARG 123.A NH1.A ASP 119.A OD1 no hydrogen 3.291 N/A ARG 123.A NH1.A ASP 119.A OD2 no hydrogen 3.395 N/A ARG 123.A NH2.A ASP 119.A OD1 no hydrogen 3.242 N/A ASN 124.A N ALA 121.A O no hydrogen 2.887 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.794 N/A ASN 124.A ND2 ASP 119.A OD2 no hydrogen 3.210 N/A CYS 125.A N ALA 122.A O no hydrogen 3.262 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.756 N/A LEU 126.A N LYS 134.A O no hydrogen 2.796 N/A VAL 127.A N GLY 78.A O no hydrogen 2.784 N/A GLY 128.A N VAL 132.A O.A no hydrogen 2.753 N/A GLY 128.A N VAL 132.A O.B no hydrogen 2.750 N/A VAL 132.A N.A GLU 129.A O no hydrogen 3.321 N/A VAL 132.A N.B GLU 129.A O no hydrogen 3.316 N/A ILE 133.A N ASP 102.A OD2 no hydrogen 3.027 N/A LYS 134.A N LEU 126.A O no hydrogen 2.964 N/A LYS 134.A NZ GLU 73.A OE1 no hydrogen 3.183 N/A LYS 134.A NZ GLU 73.A OE2 no hydrogen 2.983 N/A VAL 135.A N LYS 54.A O no hydrogen 2.737 N/A SER 136.A N ASN 124.A O no hydrogen 2.891 N/A LYS 144.A NZ PRO 179.A O no hydrogen 2.973 N/A LYS 144.A NZ TYR 180.A O no hydrogen 3.211 N/A TRP 145.A N PRO 142.A O no hydrogen 3.185 N/A TRP 145.A NE1 GLU 171.A OE1 no hydrogen 2.903 N/A ALA 146.A N VAL 143.A O no hydrogen 3.090 N/A SER 147.A OG GLU 149.A OE2 no hydrogen 2.747 N/A GLU 149.A N GLU 149.A OE1 no hydrogen 2.818 N/A VAL 150.A N SER 147.A O no hydrogen 2.956 N/A PHE 151.A N SER 147.A O no hydrogen 2.881 N/A SER 152.A N PRO 148.A O no hydrogen 2.932 N/A SER 152.A OG PRO 148.A O no hydrogen 3.131 N/A PHE 153.A N GLU 149.A O no hydrogen 3.067 N/A SER 154.A N VAL 150.A O no hydrogen 3.039 N/A ARG 155.A N GLU 149.A O no hydrogen 3.212 N/A SER 157.A N SER 160.A OG no hydrogen 2.850 N/A LYS 159.A NZ PRO 220.A O no hydrogen 3.507 N/A LYS 159.A NZ ARG 223.A O no hydrogen 2.637 N/A SER 160.A N SER 157.A O no hydrogen 3.019 N/A SER 160.A N SER 157.A OG no hydrogen 3.123 N/A SER 160.A OG SER 157.A O no hydrogen 2.723 N/A ASP 161.A N SER 157.A O no hydrogen 3.080 N/A VAL 162.A N SER 158.A O no hydrogen 2.839 N/A TRP 163.A N LYS 159.A O no hydrogen 3.208 N/A SER 164.A N SER 160.A O no hydrogen 3.135 N/A SER 164.A OG TRP 145.A O no hydrogen 2.758 N/A SER 164.A OG SER 160.A O no hydrogen 3.374 N/A PHE 165.A N ASP 161.A O no hydrogen 2.844 N/A GLY 166.A N VAL 162.A O no hydrogen 3.028 N/A VAL 167.A N TRP 163.A O no hydrogen 3.272 N/A LEU 168.A N SER 164.A O no hydrogen 2.952 N/A MET 169.A N PHE 165.A O no hydrogen 2.976 N/A TRP 170.A N GLY 166.A O no hydrogen 3.062 N/A TRP 170.A NE1 TYR 199.A O no hydrogen 2.749 N/A GLU 171.A N VAL 167.A O no hydrogen 2.824 N/A VAL 172.A N LEU 168.A O no hydrogen 2.908 N/A PHE 173.A N MET 169.A O no hydrogen 2.959 N/A SER 174.A N TRP 170.A O no hydrogen 2.943 N/A SER 174.A OG TRP 170.A O no hydrogen 2.999 N/A SER 174.A OG GLU 171.A O no hydrogen 3.123 N/A GLU 175.A N VAL 172.A O no hydrogen 2.903 N/A GLY 176.A N GLU 171.A O no hydrogen 2.788 N/A LYS 177.A N SER 174.A OG no hydrogen 3.292 N/A ARG 183.A N.A TYR 180.A O no hydrogen 3.019 N/A ARG 183.A N.B TYR 180.A O no hydrogen 3.001 N/A ARG 183.A NE.B ASP 191.A OD2 no hydrogen 3.142 N/A ARG 183.A NH1.A GLU 181.A O no hydrogen 2.974 N/A ARG 183.A NH2.B ASP 191.A OD1 no hydrogen 3.264 N/A ARG 183.A NH2.B ASP 191.A OD2 no hydrogen 3.366 N/A SER 184.A N GLU 187.A OE1 no hydrogen 2.913 N/A GLU 187.A N SER 184.A OG no hydrogen 3.094 N/A VAL 188.A N SER 184.A O no hydrogen 2.891 N/A VAL 189.A N ASN 185.A O no hydrogen 3.173 N/A GLU 190.A N SER 186.A O no hydrogen 3.117 N/A ASP 191.A N GLU 187.A O no hydrogen 2.939 N/A ILE 192.A N VAL 188.A O no hydrogen 2.903 N/A SER 193.A N VAL 189.A O no hydrogen 3.014 N/A SER 193.A OG VAL 189.A O no hydrogen 2.707 N/A THR 194.A N GLU 190.A O no hydrogen 3.138 N/A THR 194.A OG1 GLU 190.A O no hydrogen 3.227 N/A THR 194.A OG1 ASP 191.A O no hydrogen 2.820 N/A GLY 195.A N ILE 192.A O no hydrogen 2.957 N/A PHE 196.A N ASP 191.A O no hydrogen 2.980 N/A ARG 197.A NE TRP 216.A O no hydrogen 2.932 N/A ARG 197.A NH1 ILE 192.A O no hydrogen 3.259 N/A ARG 197.A NH1 PHE 196.A O no hydrogen 2.836 N/A ARG 197.A NH2 TRP 216.A O no hydrogen 2.819 N/A LYS 200.A NZ ALA 204.A O no hydrogen 2.993 N/A ALA 204.A N PRO 201.A O no hydrogen 3.060 N/A SER 205.A OG GLY 240.A O no hydrogen 2.858 N/A VAL 208.A N SER 205.A OG no hydrogen 3.146 N/A TYR 209.A N SER 205.A O no hydrogen 3.039 N/A TYR 209.A OH LEU 198.A O no hydrogen 2.743 N/A GLN 210.A N THR 206.A O no hydrogen 3.004 N/A ILE 211.A N HIS 207.A O no hydrogen 3.252 N/A MET 212.A N VAL 208.A O no hydrogen 3.020 N/A ASN 213.A N TYR 209.A O no hydrogen 2.892 N/A ASN 213.A ND2 TYR 209.A O no hydrogen 3.361 N/A HIS 214.A N.A GLN 210.A O no hydrogen 2.961 N/A HIS 214.A N.A ILE 211.A O no hydrogen 3.171 N/A HIS 214.A N.B GLN 210.A O no hydrogen 2.976 N/A CYS 215.A N ILE 211.A O no hydrogen 3.147 N/A CYS 215.A SG VAL 162.A O no hydrogen 3.826 N/A CYS 215.A SG ILE 211.A O no hydrogen 3.463 N/A TRP 216.A N MET 212.A O no hydrogen 3.211 N/A TRP 216.A N ASN 213.A O no hydrogen 3.343 N/A LYS 217.A N HIS 214.A O.A no hydrogen 3.429 N/A LYS 217.A N HIS 214.A O.B no hydrogen 3.400 N/A ASP 222.A N ARG 219.A O no hydrogen 2.780 N/A ARG 223.A N PRO 220.A O no hydrogen 3.055 N/A ARG 223.A NE LYS 217.A O no hydrogen 2.842 N/A ARG 223.A NH1 GLU 149.A OE2 no hydrogen 2.841 N/A ARG 223.A NH1 LYS 159.A O no hydrogen 2.988 N/A ARG 223.A NH2 GLU 149.A OE1 no hydrogen 2.893 N/A ARG 223.A NH2 LYS 217.A O no hydrogen 3.140 N/A ARG 223.A NH2 GLU 218.A O no hydrogen 3.010 N/A PHE 226.A N GLU 111.A OE2 no hydrogen 2.847 N/A SER 227.A N GLU 111.A OE1 no hydrogen 3.239 N/A LEU 229.A N ALA 225.A O no hydrogen 2.831 N/A LEU 230.A N PHE 226.A O no hydrogen 2.863 N/A ARG 231.A NH1 SER 227.A O no hydrogen 2.987 N/A GLN 232.A N ARG 228.A O no hydrogen 3.124 N/A LEU 233.A N LEU 229.A O no hydrogen 2.839 N/A ALA 234.A N LEU 230.A O no hydrogen 3.063 N/A GLU 235.A N ARG 231.A O no hydrogen 2.868 N/A ILE 236.A N GLN 232.A O no hydrogen 3.257 N/A ALA 237.A N LEU 233.A O no hydrogen 3.098 N/A GLU 238.A N GLU 235.A O no hydrogen 3.337 N/A SER 239.A N GLU 235.A O no hydrogen 3.469 N/A