Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k9m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TRP 206.A O no hydrogen 2.888 N/A ALA 7.A N LEU 204.A O no hydrogen 3.339 N/A ARG 8.A N ASP 6.A OD1 no hydrogen 2.634 N/A ARG 8.A NH2 ASP 6.A OD1 no hydrogen 3.512 N/A GLU 9.A N ASP 6.A O no hydrogen 3.083 N/A GLN 10.A N ASP 6.A O no hydrogen 3.282 N/A TRP 11.A N ALA 7.A O no hydrogen 3.152 N/A GLN 13.A N GLN 13.A OE1 no hydrogen 2.766 N/A CYS 14.A N TRP 11.A O no hydrogen 3.220 N/A THR 16.A OG1 ASP 40.A OD1 no hydrogen 3.211 N/A ILE 17.A N CYS 14.A O no hydrogen 2.993 N/A LYS 18.A N PRO 15.A O no hydrogen 2.718 N/A GLU 19.A N THR 16.A O no hydrogen 3.260 N/A ARG 21.A NH2 VAL 54.A O no hydrogen 3.046 N/A GLN 23.A N SER 220.A O no hydrogen 2.942 N/A GLN 23.A NE2 GLY 24.A O no hydrogen 3.543 N/A GLY 24.A N ASP 22.A OD1 no hydrogen 3.123 N/A CYS 26.A SG TYR 103.A OH no hydrogen 3.617 N/A GLY 27.A N CYS 71.A O no hydrogen 2.744 N/A SER 28.A N CYS 26.A O no hydrogen 2.810 N/A SER 28.A OG TYR 103.A OH no hydrogen 3.257 N/A TRP 30.A NE1 GLY 70.A O no hydrogen 3.179 N/A ALA 31.A N SER 28.A O no hydrogen 2.583 N/A PHE 32.A N SER 28.A O no hydrogen 2.885 N/A GLY 33.A N CYS 29.A O no hydrogen 2.823 N/A VAL 35.A N ALA 31.A O no hydrogen 3.089 N/A GLU 36.A N PHE 32.A O no hydrogen 2.762 N/A ALA 37.A N GLY 33.A O no hydrogen 3.173 N/A ILE 38.A N ALA 34.A O no hydrogen 2.893 N/A SER 39.A N VAL 35.A O no hydrogen 2.929 N/A SER 39.A OG VAL 35.A O no hydrogen 2.420 N/A ASP 40.A N GLU 36.A O no hydrogen 2.949 N/A ARG 41.A N ALA 37.A O no hydrogen 2.739 N/A ARG 41.A NE PRO 169.A O no hydrogen 3.108 N/A ARG 41.A NH1 GLU 163.A OE2 no hydrogen 3.016 N/A ARG 41.A NH1 GLY 168.A O no hydrogen 3.179 N/A ARG 41.A NH2 GLU 163.A OE2 no hydrogen 3.178 N/A ARG 41.A NH2 GLY 249.A O no hydrogen 2.769 N/A ILE 42.A N ILE 38.A O no hydrogen 2.978 N/A CYS 43.A N SER 39.A O no hydrogen 3.477 N/A ILE 44.A N ASP 40.A O no hydrogen 3.104 N/A HIS 45.A N ARG 41.A O no hydrogen 2.925 N/A THR 46.A N CYS 43.A O no hydrogen 3.030 N/A THR 46.A OG1 ILE 42.A O no hydrogen 3.423 N/A ASN 47.A N ILE 44.A O no hydrogen 3.385 N/A ALA 48.A N CYS 43.A O no hydrogen 3.099 N/A HIS 49.A N THR 46.A O no hydrogen 3.495 N/A VAL 50.A N THR 46.A OG1 no hydrogen 3.011 N/A GLU 53.A N GLY 92.A O no hydrogen 2.591 N/A VAL 54.A N SER 39.A OG no hydrogen 3.162 N/A SER 55.A N VAL 89.A O no hydrogen 2.736 N/A SER 55.A OG ARG 101.A O no hydrogen 2.716 N/A ASP 58.A N SER 55.A OG no hydrogen 2.578 N/A LEU 59.A N SER 55.A O no hydrogen 3.210 N/A LEU 60.A N ALA 56.A O no hydrogen 2.982 N/A THR 61.A N GLU 57.A O no hydrogen 2.668 N/A THR 61.A OG1 GLU 57.A O no hydrogen 3.109 N/A THR 61.A OG1 LYS 127.A O no hydrogen 3.304 N/A CYS 62.A N ASP 58.A O no hydrogen 2.769 N/A CYS 62.A SG ASP 58.A OD1 no hydrogen 3.541 N/A CYS 62.A SG TYR 140.A OH no hydrogen 3.837 N/A CYS 63.A N LEU 59.A O no hydrogen 3.287 N/A MET 66.A N CYS 63.A O no hydrogen 3.124 N/A ASP 69.A N GLY 73.A O no hydrogen 3.218 N/A ASN 72.A N ASP 69.A O no hydrogen 3.049 N/A TYR 75.A N CYS 67.A O no hydrogen 2.701 N/A GLU 78.A N TYR 75.A O no hydrogen 3.102 N/A ALA 79.A N TYR 75.A O no hydrogen 3.020 N/A TRP 80.A N PRO 76.A O no hydrogen 3.163 N/A TRP 80.A NE1 GLU 171.A OE1 no hydrogen 2.852 N/A PHE 82.A N GLU 78.A O no hydrogen 3.015 N/A TRP 83.A N ALA 79.A O no hydrogen 3.229 N/A THR 84.A N TRP 80.A O no hydrogen 3.416 N/A ARG 85.A N ASN 81.A O no hydrogen 3.065 N/A LYS 86.A N PHE 82.A O no hydrogen 2.827 N/A GLY 87.A N PHE 82.A O no hydrogen 3.128 N/A LEU 88.A N HIS 145.A O no hydrogen 3.254 N/A VAL 89.A N ASP 58.A OD2 no hydrogen 3.026 N/A SER 90.A N ASP 143.A OD1 no hydrogen 3.163 N/A SER 90.A OG ASP 143.A OD1 no hydrogen 3.043 N/A TYR 94.A N SER 51.A O no hydrogen 2.947 N/A HIS 97.A N GLU 95.A O no hydrogen 3.122 N/A CYS 100.A N SER 90.A OG no hydrogen 2.763 N/A ARG 101.A N SER 90.A O no hydrogen 2.740 N/A ARG 101.A NH2 LYS 127.A O no hydrogen 2.903 N/A TYR 103.A OH GLN 23.A O no hydrogen 3.017 N/A TYR 103.A OH SER 28.A OG no hydrogen 3.257 N/A SER 104.A N GLU 57.A OE1 no hydrogen 3.125 N/A SER 104.A OG GLU 57.A OE2 no hydrogen 2.768 N/A CYS 108.A N ASP 22.A OD2 no hydrogen 3.297 N/A CYS 108.A SG SER 25.A OG no hydrogen 3.676 N/A GLU 109.A N ASP 22.A OD2 no hydrogen 3.054 N/A SER 115.A OG GLY 114.A O no hydrogen 2.295 N/A ARG 116.A N HIS 111.A NE2 no hydrogen 3.117 N/A CYS 119.A SG PRO 106.A O no hydrogen 4.012 N/A THR 120.A OG1 PRO 117.A O no hydrogen 2.487 N/A SER 129.A OG LYS 127.A O no hydrogen 3.243 N/A ILE 131.A N SER 129.A O no hydrogen 2.541 N/A CYS 132.A SG PRO 138.A O no hydrogen 3.687 N/A GLU 133.A N CYS 100.A O no hydrogen 2.962 N/A TYR 136.A OH ASP 143.A OD1 no hydrogen 3.272 N/A TYR 136.A OH ASP 143.A OD2 no hydrogen 2.434 N/A TYR 140.A OH ASP 58.A OD1 no hydrogen 2.603 N/A TYR 140.A OH ASP 58.A OD2 no hydrogen 3.373 N/A GLN 142.A N THR 139.A O no hydrogen 2.984 N/A ASP 143.A N THR 139.A O no hydrogen 2.995 N/A ASP 143.A N TYR 140.A O no hydrogen 2.892 N/A LYS 144.A NZ ASP 58.A OD2 no hydrogen 2.775 N/A LYS 144.A NZ LYS 86.A O no hydrogen 3.363 N/A LYS 144.A NZ GLY 87.A O no hydrogen 2.669 N/A LYS 144.A NZ TYR 140.A OH no hydrogen 3.119 N/A HIS 145.A N LEU 88.A O no hydrogen 2.868 N/A GLY 147.A N TRP 83.A O no hydrogen 3.236 N/A TYR 148.A N ILE 250.A O no hydrogen 2.568 N/A TYR 151.A N ALA 248.A O no hydrogen 3.037 N/A TYR 151.A OH GLU 163.A OE2 no hydrogen 2.484 N/A SER 152.A OG VAL 153.A O no hydrogen 3.255 N/A SER 152.A OG VAL 246.A O no hydrogen 2.938 N/A VAL 153.A N VAL 246.A O no hydrogen 2.707 N/A SER 156.A N SER 154.A O no hydrogen 2.734 N/A LYS 158.A NZ SER 156.A OG no hydrogen 2.832 N/A MET 161.A N GLU 157.A O no hydrogen 3.089 N/A ALA 162.A N LYS 158.A O no hydrogen 2.657 N/A GLU 163.A N ASP 159.A O no hydrogen 2.540 N/A ILE 164.A N ILE 160.A O no hydrogen 2.922 N/A TYR 165.A N MET 161.A O no hydrogen 2.964 N/A LYS 166.A N ALA 162.A O no hydrogen 3.269 N/A ASN 167.A N GLU 163.A O no hydrogen 3.138 N/A GLY 168.A N ILE 164.A O no hydrogen 2.731 N/A VAL 170.A N ILE 203.A O no hydrogen 2.942 N/A GLU 171.A N VAL 247.A O no hydrogen 2.952 N/A GLY 172.A N ILE 201.A O no hydrogen 3.324 N/A PHE 174.A N HIS 199.A O no hydrogen 3.055 N/A SER 175.A N CYS 240.A O no hydrogen 2.922 N/A VAL 176.A N GLY 197.A O no hydrogen 2.952 N/A SER 178.A N GLU 194.A O no hydrogen 3.059 N/A PHE 180.A N TYR 177.A O no hydrogen 2.614 N/A LEU 181.A N SER 178.A O no hydrogen 3.278 N/A TYR 183.A N PHE 180.A O no hydrogen 3.127 N/A TYR 183.A OH GLY 186.A O no hydrogen 2.430 N/A LYS 184.A NZ GLY 226.A O no hydrogen 3.058 N/A TYR 188.A N LYS 232.A O no hydrogen 2.689 N/A TYR 188.A OH ASP 179.A OD1 no hydrogen 2.654 N/A HIS 190.A NE2 THR 192.A O no hydrogen 2.732 N/A VAL 191.A N ASP 179.A OD2 no hydrogen 2.943 N/A THR 192.A N ASP 179.A OD2 no hydrogen 2.978 N/A GLU 194.A N SER 178.A OG no hydrogen 3.011 N/A MET 196.A N VAL 176.A O no hydrogen 2.882 N/A HIS 199.A N PHE 174.A O no hydrogen 3.054 N/A HIS 199.A NE2 ASN 219.A OD1 no hydrogen 2.750 N/A ALA 200.A N HIS 199.A ND1 no hydrogen 2.919 N/A ILE 201.A N GLY 172.A O no hydrogen 2.958 N/A ARG 202.A N ALA 218.A O no hydrogen 3.299 N/A ARG 202.A NE GLU 36.A OE2 no hydrogen 3.257 N/A ILE 203.A N VAL 170.A O no hydrogen 3.197 N/A LEU 204.A N LEU 216.A O no hydrogen 2.906 N/A TRP 206.A N PHE 5.A O no hydrogen 2.762 N/A TRP 206.A NE1 PRO 2.A O no hydrogen 3.033 N/A GLU 209.A N THR 212.A O no hydrogen 3.151 N/A THR 212.A N GLU 209.A O no hydrogen 3.093 N/A TYR 214.A N GLY 207.A O no hydrogen 2.848 N/A TRP 215.A N ILE 233.A O no hydrogen 3.174 N/A TRP 215.A NE1 GLU 243.A OE1 no hydrogen 2.952 N/A LEU 216.A N GLY 205.A O no hydrogen 3.004 N/A VAL 217.A N PHE 231.A O no hydrogen 2.908 N/A ALA 218.A N ARG 202.A O no hydrogen 2.868 N/A SER 220.A N ASN 219.A OD1 no hydrogen 2.627 N/A SER 220.A OG GLN 23.A OE1 no hydrogen 3.065 N/A ASN 222.A N ARG 21.A O no hydrogen 3.250 N/A ASN 222.A ND2 ASP 22.A OD2 no hydrogen 2.690 N/A THR 223.A N ASN 222.A OD1 no hydrogen 2.753 N/A ASP 227.A N PHE 230.A O no hydrogen 2.928 N/A GLY 229.A N TRP 225.A O no hydrogen 3.217 N/A PHE 230.A N ASP 227.A O no hydrogen 3.128 N/A PHE 231.A N VAL 217.A O no hydrogen 2.895 N/A LYS 232.A NZ GLU 209.A OE1 no hydrogen 3.373 N/A ILE 233.A N TRP 215.A O no hydrogen 3.463 N/A LEU 234.A N TYR 188.A O no hydrogen 3.022 N/A ARG 235.A N PRO 213.A O no hydrogen 2.806 N/A ARG 235.A NE GLU 157.A OE1 no hydrogen 2.785 N/A ARG 235.A NH1 GLU 157.A OE1 no hydrogen 3.005 N/A CYS 240.A SG SER 175.A O no hydrogen 3.996 N/A GLY 241.A N ASP 238.A O no hydrogen 2.802 N/A GLU 243.A N ASP 238.A OD1 no hydrogen 2.503 N/A SER 244.A N GLY 241.A O no hydrogen 3.300 N/A SER 244.A OG GLY 241.A O no hydrogen 2.658 N/A VAL 247.A N GLU 171.A O no hydrogen 2.785 N/A ALA 248.A N TYR 151.A O no hydrogen 3.109 N/A ILE 250.A N ASN 149.A O no hydrogen 3.190 N/A ARG 252.A N TYR 146.A O no hydrogen 2.805 N/A