Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3un8_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 TYR 18.A OH no hydrogen 3.470 N/A THR 6.A OG1 GLY 3.A O no hydrogen 2.835 N/A SER 8.A N ARG 12.A O no hydrogen 2.631 N/A SER 8.A OG GLU 10.A OE2 no hydrogen 3.523 N/A SER 8.A OG ARG 12.A O no hydrogen 2.889 N/A GLY 11.A N SER 8.A O no hydrogen 2.810 N/A ARG 12.A N SER 8.A OG no hydrogen 2.931 N/A PHE 14.A N THR 6.A O no hydrogen 3.378 N/A GLU 17.A N LEU 13.A O no hydrogen 3.023 N/A TYR 18.A N PHE 14.A O no hydrogen 2.931 N/A SER 19.A N GLN 15.A O no hydrogen 3.016 N/A SER 19.A OG PHE 130.A O no hydrogen 2.645 N/A LEU 20.A N VAL 16.A O no hydrogen 3.235 N/A GLU 21.A N TYR 18.A O no hydrogen 3.237 N/A ALA 22.A N SER 19.A O no hydrogen 3.182 N/A ILE 23.A N SER 19.A O no hydrogen 3.356 N/A LYS 24.A N LEU 20.A O no hydrogen 3.315 N/A LYS 24.A NZ GLU 21.A OE1 no hydrogen 3.215 N/A LEU 25.A N ALA 22.A O no hydrogen 3.328 N/A GLY 26.A N ILE 23.A O no hydrogen 3.048 N/A THR 28.A N GLU 43.A OE2 no hydrogen 3.348 N/A THR 28.A OG1 GLU 43.A OE2 no hydrogen 3.480 N/A ALA 29.A N ILE 164.A O no hydrogen 2.671 N/A ILE 30.A N GLY 41.A O no hydrogen 2.776 N/A GLY 31.A N LYS 162.A O no hydrogen 2.841 N/A ILE 32.A N VAL 39.A O no hydrogen 2.899 N/A ALA 33.A N ASN 160.A O no hydrogen 2.761 N/A THR 34.A N GLY 37.A O no hydrogen 2.932 N/A THR 34.A OG1 GLY 37.A O no hydrogen 2.564 N/A GLU 36.A N THR 34.A OG1 no hydrogen 3.413 N/A GLY 37.A N THR 34.A OG1 no hydrogen 3.216 N/A VAL 38.A N ILE 214.A O no hydrogen 3.269 N/A VAL 39.A N ILE 32.A O no hydrogen 2.889 N/A LEU 40.A N SER 212.A O no hydrogen 2.738 N/A GLY 41.A N ILE 30.A O no hydrogen 2.807 N/A VAL 42.A N GLN 210.A O no hydrogen 3.108 N/A GLU 43.A N THR 28.A O no hydrogen 2.924 N/A LYS 44.A N ASN 208.A O no hydrogen 2.802 N/A LYS 44.A NZ SER 53.A O no hydrogen 2.881 N/A LYS 44.A NZ ASN 207.A O no hydrogen 3.238 N/A ARG 45.A NE GLU 43.A OE1 no hydrogen 3.216 N/A ARG 45.A NH1 LEU 25.A O no hydrogen 2.983 N/A ARG 45.A NH2 GLY 26.A O no hydrogen 3.476 N/A ARG 45.A NH2 GLU 43.A OE2 no hydrogen 3.407 N/A LEU 50.A N SER 48.A OG no hydrogen 3.427 N/A LEU 51.A N SER 48.A O no hydrogen 3.105 N/A SER 53.A OG ASN 207.A O no hydrogen 3.397 N/A SER 55.A N GLU 52.A O no hydrogen 3.305 N/A SER 55.A OG GLU 52.A O no hydrogen 2.692 N/A ILE 56.A N SER 53.A O no hydrogen 3.264 N/A LYS 58.A NZ SER 27.A OG no hydrogen 2.967 N/A LYS 58.A NZ GLU 43.A O no hydrogen 3.228 N/A LYS 58.A NZ LYS 44.A O no hydrogen 2.770 N/A VAL 60.A N CYS 68.A O no hydrogen 2.973 N/A ILE 62.A N ILE 66.A O no hydrogen 3.040 N/A ASP 63.A N ILE 66.A O no hydrogen 3.098 N/A ARG 64.A N ASP 63.A OD2 no hydrogen 2.800 N/A ARG 64.A NH1 GLN 217.A O no hydrogen 3.247 N/A HIS 65.A NE2 ILE 99.A O no hydrogen 2.764 N/A ILE 66.A N ASP 63.A O no hydrogen 3.227 N/A GLY 67.A N ALA 137.A O no hydrogen 2.745 N/A CYS 68.A N VAL 60.A O no hydrogen 2.893 N/A CYS 68.A SG ALA 69.A O no hydrogen 3.656 N/A ALA 69.A N LEU 135.A O no hydrogen 2.971 N/A MET 70.A N LYS 58.A O no hydrogen 3.234 N/A SER 71.A N ALA 133.A O no hydrogen 3.050 N/A SER 71.A OG SER 27.A O no hydrogen 2.643 N/A SER 71.A OG ILE 164.A O no hydrogen 3.421 N/A LEU 73.A N GLY 131.A O no hydrogen 2.789 N/A ASP 76.A N LEU 73.A O no hydrogen 3.135 N/A ALA 77.A N THR 74.A O no hydrogen 3.222 N/A ARG 78.A N ALA 75.A O no hydrogen 3.463 N/A ARG 78.A NH2 GLU 57.A O no hydrogen 2.809 N/A SER 79.A OG ASP 76.A O no hydrogen 3.501 N/A ILE 81.A N ALA 77.A O no hydrogen 2.800 N/A GLU 82.A N ARG 78.A O no hydrogen 3.065 N/A HIS 83.A N SER 79.A O no hydrogen 3.080 N/A HIS 83.A NE2 SER 107.A OG no hydrogen 2.962 N/A ALA 84.A N MET 80.A O no hydrogen 2.922 N/A ARG 85.A N ILE 81.A O no hydrogen 2.789 N/A ARG 85.A NE GLU 61.A O no hydrogen 2.758 N/A ARG 85.A NH2 GLU 61.A O no hydrogen 3.166 N/A THR 86.A N GLU 82.A O no hydrogen 3.099 N/A THR 86.A OG1 GLU 82.A O no hydrogen 2.680 N/A ALA 87.A N HIS 83.A O no hydrogen 2.862 N/A ALA 88.A N ALA 84.A O no hydrogen 3.070 N/A VAL 89.A N ARG 85.A O no hydrogen 3.170 N/A THR 90.A N THR 86.A O no hydrogen 2.708 N/A THR 90.A OG1 THR 86.A O no hydrogen 2.486 N/A HIS 91.A N ALA 87.A O no hydrogen 3.144 N/A HIS 91.A NE2 GLU 97.A OE1 no hydrogen 2.943 N/A ASN 92.A N ALA 88.A O no hydrogen 3.281 N/A ASN 92.A ND2 GLU 97.A O no hydrogen 2.867 N/A LEU 93.A N VAL 89.A O no hydrogen 2.965 N/A TYR 94.A N THR 90.A O no hydrogen 3.004 N/A TYR 95.A N HIS 91.A O no hydrogen 2.857 N/A ASP 96.A N ASN 92.A O no hydrogen 2.984 N/A VAL 101.A N ASP 140.A OD1 no hydrogen 3.120 N/A LEU 104.A N ASN 100.A O no hydrogen 2.898 N/A THR 105.A N VAL 101.A O no hydrogen 2.949 N/A THR 105.A OG1 VAL 101.A O no hydrogen 2.730 N/A GLN 106.A N GLU 102.A O no hydrogen 3.008 N/A SER 107.A N SER 103.A O no hydrogen 3.168 N/A SER 107.A OG HIS 83.A NE2 no hydrogen 2.962 N/A VAL 108.A N LEU 104.A O no hydrogen 3.213 N/A CYS 109.A N THR 105.A O no hydrogen 2.949 N/A CYS 109.A SG THR 105.A O no hydrogen 3.337 N/A ASP 110.A N GLN 106.A O no hydrogen 3.134 N/A LEU 111.A N VAL 108.A O no hydrogen 3.315 N/A ALA 112.A N CYS 109.A O no hydrogen 3.389 N/A ARG 114.A N LEU 111.A O no hydrogen 3.264 N/A ARG 114.A NE ASP 110.A O no hydrogen 2.917 N/A ARG 114.A NH1 GLU 122.A OE1 no hydrogen 3.400 N/A GLY 116.A N MET 126.A O no hydrogen 2.790 N/A ARG 124.A NH2 LEU 113.A O no hydrogen 2.874 N/A ARG 128.A NH1 ASP 76.A OD1 no hydrogen 2.701 N/A ARG 128.A NH1 PRO 129.A O no hydrogen 3.142 N/A ARG 128.A NH2 ASP 76.A OD1 no hydrogen 3.423 N/A ARG 128.A NH2 ASP 76.A OD2 no hydrogen 3.100 N/A GLY 131.A N ASP 76.A OD1 no hydrogen 2.924 N/A ALA 133.A N SER 71.A O no hydrogen 2.948 N/A LEU 134.A N ALA 150.A O no hydrogen 3.109 N/A LEU 135.A N ALA 69.A O no hydrogen 2.728 N/A ILE 136.A N PHE 148.A O no hydrogen 2.942 N/A ALA 137.A N GLY 67.A O no hydrogen 3.008 N/A GLY 138.A N GLN 146.A O no hydrogen 3.123 N/A HIS 139.A N HIS 65.A O no hydrogen 3.119 N/A ASP 140.A N GLY 144.A O no hydrogen 3.372 N/A ASP 142.A N ASP 140.A OD2 no hydrogen 3.228 N/A ASP 143.A N ASP 140.A OD2 no hydrogen 2.833 N/A GLY 144.A N ASP 140.A O no hydrogen 3.080 N/A GLN 146.A N GLY 138.A O no hydrogen 2.854 N/A PHE 148.A N ILE 136.A O no hydrogen 2.719 N/A HIS 149.A N TYR 157.A O no hydrogen 3.034 N/A ALA 150.A N LEU 134.A O no hydrogen 2.816 N/A SER 153.A OG THR 155.A OG1 no hydrogen 2.784 N/A GLY 154.A N GLU 151.A O no hydrogen 3.155 N/A THR 155.A OG1 SER 153.A OG no hydrogen 2.784 N/A TYR 159.A N LEU 147.A O no hydrogen 2.795 N/A LYS 162.A N GLY 31.A O no hydrogen 2.904 N/A LYS 162.A NZ TYR 159.A OH no hydrogen 3.400 N/A ALA 163.A N GLN 172.A OE1 no hydrogen 3.052 N/A ILE 164.A N ALA 29.A O no hydrogen 2.813 N/A SER 168.A OG GLY 165.A O no hydrogen 3.148 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.697 N/A ALA 171.A N GLY 167.A O no hydrogen 3.052 N/A GLN 172.A N SER 168.A O no hydrogen 2.924 N/A GLN 172.A NE2 ALA 161.A O no hydrogen 3.250 N/A LEU 175.A N ALA 171.A O no hydrogen 2.819 N/A LEU 176.A N GLN 172.A O no hydrogen 2.972 N/A GLU 178.A N GLU 174.A O no hydrogen 3.251 N/A TRP 179.A N LEU 175.A O no hydrogen 3.350 N/A TRP 179.A NE1 ALA 33.A O no hydrogen 3.192 N/A HIS 180.A ND1 SER 182.A OG no hydrogen 2.834 N/A SER 182.A N HIS 180.A ND1 no hydrogen 3.316 N/A SER 182.A OG HIS 180.A ND1 no hydrogen 2.834 N/A LEU 183.A N HIS 180.A O no hydrogen 3.393 N/A THR 184.A N GLU 187.A OE1 no hydrogen 3.157 N/A THR 184.A OG1 GLU 187.A OE1 no hydrogen 3.192 N/A LEU 185.A N GLU 36.A OE1 no hydrogen 3.251 N/A ALA 188.A N THR 184.A O no hydrogen 3.084 N/A GLU 189.A N LEU 185.A O no hydrogen 3.002 N/A LEU 190.A N LYS 186.A O no hydrogen 3.136 N/A LEU 191.A N GLU 187.A O no hydrogen 3.170 N/A VAL 192.A N ALA 188.A O no hydrogen 3.062 N/A LYS 194.A N LEU 190.A O no hydrogen 2.932 N/A ILE 195.A N LEU 191.A O no hydrogen 3.059 N/A LEU 196.A N VAL 192.A O no hydrogen 3.061 N/A LYS 197.A N LEU 193.A O no hydrogen 3.173 N/A GLN 198.A N LYS 194.A O no hydrogen 3.355 N/A GLN 198.A N ILE 195.A O no hydrogen 3.185 N/A GLN 198.A NE2 GLU 174.A OE2 no hydrogen 2.797 N/A VAL 199.A N ILE 195.A O no hydrogen 3.250 N/A MET 200.A N LEU 196.A O no hydrogen 3.033 N/A ASP 205.A N ASN 208.A OD1 no hydrogen 2.997 N/A GLU 206.A N GLU 206.A OE2 no hydrogen 2.852 N/A ASN 208.A N ASP 205.A OD1 no hydrogen 3.449 N/A ASN 208.A ND2 LYS 203.A O no hydrogen 2.760 N/A GLN 210.A N VAL 42.A O no hydrogen 3.227 N/A SER 212.A N LEU 40.A O no hydrogen 2.794 N/A SER 212.A OG LEU 40.A O no hydrogen 2.910 N/A CYS 213.A N LYS 221.A O no hydrogen 3.128 N/A CYS 213.A SG TYR 223.A OH no hydrogen 3.406 N/A ILE 214.A N VAL 38.A O no hydrogen 3.050 N/A THR 215.A N GLY 219.A O no hydrogen 3.096 N/A LYS 216.A N TYR 145.A OH no hydrogen 2.825 N/A ASP 218.A N THR 215.A OG1 no hydrogen 3.280 N/A PHE 220.A N ARG 64.A O no hydrogen 2.888 N/A LYS 221.A N CYS 213.A O no hydrogen 2.964 N/A TYR 223.A N LEU 211.A O no hydrogen 2.982 N/A TYR 223.A OH GLU 189.A OE1 no hydrogen 2.720 N/A LYS 227.A N ASP 224.A O no hydrogen 3.147 N/A THR 228.A N ASP 224.A O no hydrogen 3.176 N/A THR 228.A OG1 ASP 224.A O no hydrogen 3.102 N/A ALA 229.A N ASN 225.A O no hydrogen 3.124 N/A ILE 232.A N THR 228.A O no hydrogen 2.915 N/A LYS 233.A N ALA 229.A O no hydrogen 3.068 N/A LYS 233.A NZ GLU 237.A OE2 no hydrogen 2.809 N/A GLU 234.A N GLU 230.A O no hydrogen 2.963 N/A LEU 235.A N LEU 231.A O no hydrogen 3.007 N/A LYS 236.A N ILE 232.A O no hydrogen 3.012 N/A GLU 237.A N LYS 233.A O no hydrogen 3.256 N/A LYS 238.A N GLU 234.A O no hydrogen 3.201 N/A GLU 239.A N LEU 235.A O no hydrogen 3.261 N/A ALA 240.A N LYS 236.A O no hydrogen 3.236 N/A