Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3du2_H.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A N ASP 1.A OD1 no hydrogen 2.856 N/A SER 4.A OG ASP 1.A OD1 no hydrogen 2.866 N/A LEU 5.A N ASP 1.A O no hydrogen 2.942 N/A ALA 6.A N LEU 2.A O no hydrogen 2.752 N/A ILE 7.A N ALA 3.A O no hydrogen 2.963 N/A TYR 8.A N SER 4.A O no hydrogen 3.239 N/A SER 9.A N LEU 5.A O no hydrogen 2.912 N/A SER 9.A OG LEU 5.A O no hydrogen 2.617 N/A PHE 10.A N ALA 6.A O no hydrogen 2.848 N/A TRP 11.A N ILE 7.A O no hydrogen 3.072 N/A ILE 12.A N SER 9.A O no hydrogen 3.025 N/A PHE 13.A N SER 9.A O no hydrogen 2.941 N/A LEU 14.A N PHE 10.A O no hydrogen 2.851 N/A GLY 16.A N ILE 12.A O no hydrogen 3.322 N/A LEU 17.A N PHE 13.A O no hydrogen 3.007 N/A ILE 18.A N LEU 14.A O no hydrogen 3.010 N/A TYR 19.A N ALA 15.A O no hydrogen 3.227 N/A TYR 20.A N GLY 16.A O no hydrogen 2.892 N/A LEU 21.A N LEU 17.A O no hydrogen 2.758 N/A GLN 22.A N ILE 18.A O no hydrogen 2.808 N/A THR 23.A N TYR 19.A O no hydrogen 2.954 N/A THR 23.A OG1 TYR 19.A O no hydrogen 3.375 N/A THR 23.A OG1 TYR 20.A O no hydrogen 2.960 N/A GLU 24.A N TYR 20.A O no hydrogen 3.037 N/A ASN 25.A N GLN 22.A O no hydrogen 3.084 N/A ASN 25.A ND2 LEU 21.A O no hydrogen 2.741 N/A MET 26.A N THR 23.A O no hydrogen 3.150 N/A ARG 27.A NE GLU 24.A OE1 no hydrogen 2.727 N/A ARG 27.A NH1 LYS 50.A O no hydrogen 3.239 N/A ARG 27.A NH2 GLU 24.A OE1 no hydrogen 3.328 N/A ARG 27.A NH2 GLU 24.A OE2 no hydrogen 3.355 N/A ARG 27.A NH2 LYS 50.A O no hydrogen 3.264 N/A GLY 29.A N GLU 69.A OE1 no hydrogen 3.271 N/A LEU 32.A N GLN 43.A OE1 no hydrogen 2.829 N/A ASN 34.A N THR 38.A O no hydrogen 3.008 N/A ASN 34.A ND2 THR 38.A OG1 no hydrogen 3.268 N/A GLY 37.A N ASN 34.A O no hydrogen 2.714 N/A THR 38.A N ASP 36.A OD1 no hydrogen 3.220 N/A THR 38.A OG1 ASP 36.A OD1 no hydrogen 2.607 N/A ALA 40.A N LEU 32.A O no hydrogen 3.194 N/A GLN 43.A NE2 LEU 32.A O no hydrogen 3.256 N/A GLN 43.A NE2 ALA 40.A O no hydrogen 2.847 N/A LYS 52.A N VAL 65.A O no hydrogen 2.790 N/A THR 53.A OG1 THR 64.A OG1 no hydrogen 2.842 N/A PHE 54.A N LEU 63.A O no hydrogen 2.610 N/A LEU 56.A N GLY 61.A O no hydrogen 3.095 N/A ARG 60.A NH1 PRO 111.A O no hydrogen 2.545 N/A ARG 60.A NH2 PRO 111.A O no hydrogen 2.651 N/A LEU 63.A N PHE 54.A O no hydrogen 2.784 N/A THR 64.A OG1 THR 53.A OG1 no hydrogen 2.842 N/A VAL 65.A N LYS 52.A O no hydrogen 2.937 N/A SER 70.A OG ASP 72.A OD1 no hydrogen 2.803 N/A ARG 73.A NH1 GLY 98.A O no hydrogen 2.846 N/A ARG 73.A NH1 TRP 104.A O no hydrogen 2.790 N/A ARG 73.A NH2 GLY 98.A O no hydrogen 2.658 N/A ALA 78.A N ALA 89.A O no hydrogen 2.882 N/A ARG 79.A NE GLU 35.A OE1 no hydrogen 2.996 N/A ARG 79.A NH2 GLU 35.A OE1 no hydrogen 3.206 N/A THR 80.A OG1 PRO 87.A O no hydrogen 2.875 N/A GLY 85.A N GLU 35.A OE2 no hydrogen 2.802 N/A ALA 89.A N ALA 78.A O no hydrogen 2.719 N/A THR 91.A N ALA 76.A O no hydrogen 3.018 N/A MET 95.A N ASP 93.A OD1 no hydrogen 3.227 N/A ASP 97.A N ASP 93.A O no hydrogen 2.803 N/A GLY 98.A N PRO 94.A O no hydrogen 2.710 N/A GLY 98.A N MET 95.A O no hydrogen 3.210 N/A VAL 99.A N PRO 94.A O no hydrogen 3.097 N/A ALA 102.A N VAL 99.A O no hydrogen 3.294 N/A SER 103.A N GLY 100.A O no hydrogen 3.201 N/A SER 103.A OG GLY 100.A O no hydrogen 2.886 N/A VAL 105.A N ASP 221.A OD2 no hydrogen 2.743 N/A ARG 107.A N VAL 105.A O no hydrogen 2.648 N/A ASP 114.A N HIS 118.A O no hydrogen 2.526 N/A HIS 116.A N ASP 114.A OD1 no hydrogen 2.807 N/A GLY 117.A N ASP 114.A O no hydrogen 2.837 N/A HIS 118.A N ASP 114.A OD1 no hydrogen 3.001 N/A LYS 120.A N GLU 112.A O no hydrogen 2.778 N/A LYS 120.A NZ ASP 160.A OD1 no hydrogen 2.844 N/A LYS 120.A NZ ASP 160.A OD2 no hydrogen 3.481 N/A LYS 122.A N VAL 159.A O no hydrogen 2.840 N/A MET 124.A N ILE 157.A O no hydrogen 2.824 N/A LYS 125.A N ASP 156.A OD2 no hydrogen 3.180 N/A LYS 125.A NZ ASP 156.A OD2 no hydrogen 3.311 N/A LYS 125.A NZ GLU 170.A OE1 no hydrogen 3.459 N/A ALA 126.A N PRO 123.A O no hydrogen 2.970 N/A ALA 127.A N MET 124.A O no hydrogen 3.015 N/A PHE 130.A N ALA 127.A O no hydrogen 3.243 N/A HIS 131.A ND1 GLY 129.A O no hydrogen 3.317 N/A LYS 136.A NZ SER 190.A O no hydrogen 2.812 N/A ILE 139.A N ASN 137.A OD1 no hydrogen 2.848 N/A GLY 140.A N VAL 154.A O no hydrogen 2.589 N/A LEU 141.A N PRO 138.A O no hydrogen 2.781 N/A VAL 143.A N GLY 152.A O no hydrogen 2.712 N/A ARG 144.A N VAL 193.A O no hydrogen 2.769 N/A ARG 144.A NE HIS 194.A ND1 no hydrogen 3.017 N/A ARG 144.A NH2 HIS 194.A ND1 no hydrogen 3.304 N/A GLY 145.A N GLU 149.A O no hydrogen 3.097 N/A CYS 146.A N LEU 198.A O no hydrogen 2.976 N/A LEU 148.A N GLY 145.A O no hydrogen 2.687 N/A GLU 149.A N ASP 147.A OD1 no hydrogen 3.386 N/A ALA 151.A N VAL 143.A O no hydrogen 2.712 N/A LYS 153.A N GLU 172.A O no hydrogen 2.902 N/A VAL 154.A N LEU 141.A O no hydrogen 3.150 N/A VAL 155.A N GLU 170.A O no hydrogen 2.971 N/A ILE 157.A N ASP 156.A OD1 no hydrogen 2.831 N/A TRP 158.A N PHE 168.A O no hydrogen 2.890 N/A TRP 158.A NE1 GLU 170.A OE1 no hydrogen 2.492 N/A VAL 159.A N LYS 122.A O no hydrogen 2.713 N/A ASP 160.A N MET 165.A O no hydrogen 2.825 N/A ILE 161.A N LYS 120.A O no hydrogen 3.099 N/A GLU 163.A N ASP 160.A OD1 no hydrogen 3.179 N/A GLN 164.A N ILE 161.A O no hydrogen 3.258 N/A MET 165.A N ASP 160.A O no hydrogen 3.394 N/A ARG 167.A N TRP 158.A O no hydrogen 3.118 N/A ARG 167.A NE ASP 160.A OD2 no hydrogen 2.641 N/A ARG 167.A NH2 ASP 160.A OD2 no hydrogen 3.173 N/A PHE 168.A N TRP 158.A O no hydrogen 3.381 N/A LEU 169.A N LEU 181.A O no hydrogen 2.827 N/A GLU 170.A N ASP 156.A O no hydrogen 2.916 N/A VAL 171.A N ARG 179.A O no hydrogen 2.750 N/A GLU 172.A N LYS 153.A O no hydrogen 2.580 N/A LEU 173.A N SER 177.A O no hydrogen 2.819 N/A GLY 176.A N LEU 173.A O no hydrogen 2.990 N/A SER 177.A N ASP 175.A OD1 no hydrogen 2.792 N/A SER 177.A OG ASP 175.A OD1 no hydrogen 2.677 N/A SER 177.A OG ASP 175.A OD2 no hydrogen 3.289 N/A THR 178.A OG1 GLU 170.A OE2 no hydrogen 3.157 N/A ARG 179.A N VAL 171.A O no hydrogen 2.769 N/A ARG 179.A NE ALA 204.A O no hydrogen 3.331 N/A ARG 179.A NE ILE 206.A O no hydrogen 2.731 N/A ARG 179.A NH1 SER 177.A OG no hydrogen 3.122 N/A ARG 179.A NH1 THR 178.A O no hydrogen 3.148 N/A ARG 179.A NH2 ALA 204.A O no hydrogen 3.081 N/A LEU 181.A N LEU 169.A O no hydrogen 2.724 N/A MET 183.A N ARG 167.A O no hydrogen 2.665 N/A GLN 184.A N GLN 184.A OE1 no hydrogen 2.834 N/A MET 185.A N PRO 182.A O no hydrogen 3.125 N/A LYS 187.A N HIS 194.A O no hydrogen 2.907 N/A GLN 189.A N ARG 192.A O no hydrogen 2.694 N/A ARG 192.A NH1 GLN 189.A OE1 no hydrogen 2.932 N/A VAL 193.A N PRO 142.A O no hydrogen 2.872 N/A HIS 194.A N LYS 187.A O no hydrogen 2.861 N/A VAL 195.A N ARG 144.A O no hydrogen 2.703 N/A SER 199.A OG ASP 201.A OD1 no hydrogen 2.439 N/A SER 200.A N ASP 147.A OD1 no hydrogen 2.917 N/A SER 200.A OG ASP 147.A OD1 no hydrogen 3.372 N/A SER 200.A OG ASP 147.A OD2 no hydrogen 2.446 N/A LEU 202.A N SER 199.A O no hydrogen 2.854 N/A PHE 203.A N SER 200.A O no hydrogen 3.291 N/A GLY 205.A N LEU 202.A O no hydrogen 3.112 N/A ILE 206.A N PHE 203.A O no hydrogen 3.122 N/A LYS 210.A N GLU 219.A OE2 no hydrogen 3.079 N/A LYS 210.A NZ GLU 219.A OE2 no hydrogen 2.787 N/A THR 213.A N SER 211.A OG no hydrogen 3.284 N/A THR 213.A OG1 SER 211.A OG no hydrogen 3.386 N/A THR 216.A N GLU 219.A OE1 no hydrogen 3.144 N/A THR 216.A OG1 ASP 109.A OD1 no hydrogen 2.766 N/A LEU 217.A N LEU 110.A O no hydrogen 3.150 N/A LEU 218.A N ARG 108.A O no hydrogen 3.117 N/A GLU 219.A N THR 216.A OG1 no hydrogen 3.352 N/A GLU 220.A N THR 216.A O no hydrogen 2.758 N/A ASP 221.A N LEU 217.A O no hydrogen 3.146 N/A LYS 222.A N LEU 218.A O no hydrogen 3.005 N/A ILE 223.A N GLU 219.A O no hydrogen 3.034 N/A ILE 223.A N GLU 220.A O no hydrogen 3.168 N/A CYS 224.A N GLU 220.A O no hydrogen 2.845 N/A CYS 224.A SG GLU 220.A O no hydrogen 3.162 N/A GLY 225.A N ASP 221.A O no hydrogen 2.836 N/A TYR 226.A N LYS 222.A O no hydrogen 3.194 N/A TYR 226.A OH LEU 202.A O no hydrogen 2.740 N/A VAL 227.A N ILE 223.A O no hydrogen 2.927 N/A ALA 228.A N CYS 224.A O no hydrogen 2.936 N/A GLY 229.A N GLY 225.A O no hydrogen 2.999 N/A GLY 230.A N VAL 227.A O no hydrogen 3.228 N/A LEU 231.A N ALA 228.A O no hydrogen 3.126 N/A MET 232.A N GLY 229.A O no hydrogen 3.155 N/A TYR 233.A N GLY 229.A O no hydrogen 2.959 N/A ALA 234.A N GLY 230.A O no hydrogen 2.673 N/A LYS 237.A N ALA 234.A O no hydrogen 2.504 N/A ARG 238.A N ALA 235.A O no hydrogen 3.186 N/A ARG 238.A NH1 ASN 196.A O no hydrogen 2.999 N/A ARG 238.A NH1 GLY 230.A O no hydrogen 3.450 N/A ARG 238.A NH2 LEU 231.A O no hydrogen 2.337 N/A LYS 239.A NZ LYS 237.A O no hydrogen 2.533 N/A