Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wl4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N GLU 9.A OE1 no hydrogen 2.831 N/A GLU 9.A N THR 6.A OG1 no hydrogen 3.056 N/A ALA 10.A N THR 6.A O no hydrogen 3.033 N/A PHE 11.A N PHE 7.A O no hydrogen 2.775 N/A ASN 12.A N GLU 8.A O no hydrogen 2.958 N/A LYS 13.A N GLU 9.A O no hydrogen 2.988 N/A LYS 13.A NZ GLU 17.A OE2 no hydrogen 2.774 N/A LEU 14.A N ALA 10.A O no hydrogen 2.761 N/A LEU 15.A N PHE 11.A O no hydrogen 2.960 N/A LYS 16.A N ASN 12.A O no hydrogen 2.949 N/A GLU 17.A N LYS 13.A O no hydrogen 2.849 N/A VAL 18.A N LYS 13.A O no hydrogen 3.245 N/A LEU 19.A N LEU 14.A O no hydrogen 2.908 N/A PHE 21.A N LEU 15.A O no hydrogen 2.813 N/A GLU 24.A N ASN 22.A OD1 no hydrogen 3.117 N/A GLU 28.A N ASN 25.A O no hydrogen 3.171 N/A ALA 30.A N PHE 27.A O no hydrogen 3.153 N/A LYS 31.A N ASP 130.A OD2 no hydrogen 2.926 N/A LYS 32.A N ASP 130.A OD2 no hydrogen 2.994 N/A LYS 32.A NZ GLU 127.A O no hydrogen 2.874 N/A LYS 32.A NZ GLU 127.A OE1 no hydrogen 2.826 N/A VAL 33.A N GLU 59.A O no hydrogen 2.921 N/A ILE 34.A N GLY 131.A O no hydrogen 2.927 N/A CYS 35.A N ILE 61.A O no hydrogen 2.756 N/A ILE 36.A N PHE 133.A O no hydrogen 2.858 N/A GLU 37.A N ILE 63.A O no hydrogen 2.880 N/A HIS 39.A N ASP 42.A OD2 no hydrogen 2.849 N/A HIS 39.A NE2 ASP 146.A OD2 no hydrogen 2.847 N/A ASP 41.A N GLU 88.A OE2 no hydrogen 2.959 N/A ASP 42.A N HIS 39.A O no hydrogen 3.102 N/A CYS 43.A N GLU 37.A OE1 no hydrogen 2.929 N/A CYS 43.A SG CYS 35.A O no hydrogen 3.692 N/A CYS 43.A SG GLU 37.A OE1 no hydrogen 3.548 N/A ILE 45.A N ASP 41.A O no hydrogen 2.946 N/A GLY 46.A N ASP 42.A O no hydrogen 2.755 N/A GLY 48.A N GLU 242.A OE2 no hydrogen 2.843 N/A THR 49.A N GLU 242.A OE1 no hydrogen 2.772 N/A THR 49.A OG1 GLU 242.A OE1 no hydrogen 2.637 N/A LYS 51.A N GLY 47.A O no hydrogen 2.979 N/A LYS 51.A NZ LEU 94.A O no hydrogen 3.143 N/A LYS 52.A N GLY 48.A O no hydrogen 2.924 N/A LYS 52.A NZ ASP 196.A O no hydrogen 3.289 N/A LEU 53.A N THR 49.A O no hydrogen 2.788 N/A SER 54.A N ILE 50.A O no hydrogen 2.886 N/A SER 54.A OG ILE 50.A O no hydrogen 3.229 N/A SER 54.A OG LEU 95.A O no hydrogen 3.117 N/A ASP 55.A N LYS 51.A O no hydrogen 2.847 N/A GLU 56.A N LYS 52.A O no hydrogen 3.044 N/A GLY 57.A N SER 54.A O no hydrogen 2.905 N/A VAL 58.A N LEU 53.A O no hydrogen 3.038 N/A GLU 59.A N LYS 31.A O no hydrogen 2.975 N/A ILE 61.A N VAL 33.A O no hydrogen 2.956 N/A TYR 62.A N LYS 99.A O no hydrogen 2.932 N/A ILE 63.A N CYS 35.A O no hydrogen 2.961 N/A CYS 64.A N TYR 101.A O no hydrogen 2.818 N/A CYS 64.A SG GLU 37.A OE2 no hydrogen 3.458 N/A CYS 64.A SG THR 65.A O no hydrogen 3.310 N/A THR 65.A OG1 PRO 38.A O no hydrogen 2.799 N/A ASP 66.A N TYR 105.A O no hydrogen 3.019 N/A TYR 68.A N ASP 66.A OD1 no hydrogen 2.950 N/A ASP 72.A N THR 70.A OG1 no hydrogen 2.902 N/A LYS 74.A N ASP 72.A OD2 no hydrogen 2.674 N/A LYS 74.A NZ ASP 72.A OD2 no hydrogen 2.814 N/A LEU 75.A N ASP 72.A O no hydrogen 3.030 N/A GLU 79.A N SER 76.A OG no hydrogen 3.073 N/A LEU 80.A N SER 76.A O no hydrogen 2.943 N/A ALA 81.A N GLY 77.A O no hydrogen 2.827 N/A LEU 82.A N HIS 78.A O no hydrogen 3.062 N/A ILE 83.A N GLU 79.A O no hydrogen 2.926 N/A ARG 84.A N LEU 80.A O no hydrogen 2.798 N/A ARG 84.A NH1 GLY 67.A O no hydrogen 2.916 N/A ARG 84.A NH2 PRO 40.A O no hydrogen 2.772 N/A ARG 85.A N ALA 81.A O no hydrogen 3.037 N/A ARG 86.A N LEU 82.A O no hydrogen 3.328 N/A GLU 87.A N ILE 83.A O no hydrogen 2.946 N/A GLU 88.A N ARG 84.A O no hydrogen 2.842 N/A GLU 89.A N ARG 85.A O no hydrogen 2.994 N/A GLU 90.A N ARG 86.A O no hydrogen 3.005 N/A SER 91.A N GLU 87.A O no hydrogen 2.876 N/A SER 91.A OG ALA 206.A O no hydrogen 2.810 N/A SER 91.A OG HIS 210.A NE2 no hydrogen 3.339 N/A ALA 92.A N GLU 88.A O no hydrogen 2.759 N/A LYS 93.A N GLU 89.A O no hydrogen 2.999 N/A LEU 94.A N GLU 90.A O no hydrogen 3.192 N/A LEU 95.A N SER 91.A O no hydrogen 3.191 N/A LEU 95.A N ALA 92.A O no hydrogen 2.982 N/A GLY 96.A N LYS 93.A O no hydrogen 3.177 N/A VAL 97.A N ALA 92.A O no hydrogen 2.876 N/A LYS 99.A NZ GLU 127.A OE2 no hydrogen 2.806 N/A TYR 101.A N TYR 62.A O no hydrogen 2.827 N/A TYR 101.A OH GLU 127.A OE2 no hydrogen 2.532 N/A LEU 103.A N CYS 64.A O no hydrogen 2.961 N/A TYR 105.A OH ASP 119.A OD2 no hydrogen 2.528 N/A ASP 107.A N ASP 66.A OD1 no hydrogen 2.930 N/A THR 108.A N ASP 146.A OD2 no hydrogen 2.770 N/A THR 108.A OG1 ASP 107.A O no hydrogen 2.584 N/A GLU 109.A N ARG 106.A O no hydrogen 2.786 N/A LEU 110.A N ASP 146.A OD1 no hydrogen 3.253 N/A TYR 112.A OH GLU 156.A OE1 no hydrogen 3.273 N/A TYR 112.A OH GLU 156.A OE2 no hydrogen 2.582 N/A VAL 116.A N SER 113.A OG no hydrogen 3.324 N/A ARG 117.A N SER 113.A O no hydrogen 3.158 N/A ARG 117.A NE GLU 156.A OE1 no hydrogen 2.761 N/A ARG 117.A NH2 GLU 156.A OE1 no hydrogen 2.861 N/A LYS 118.A N ARG 114.A O no hydrogen 2.817 N/A ASP 119.A N GLU 115.A O no hydrogen 3.213 N/A LEU 120.A N VAL 116.A O no hydrogen 3.188 N/A VAL 121.A N ARG 117.A O no hydrogen 2.761 N/A LYS 122.A N LYS 118.A O no hydrogen 2.893 N/A ILE 123.A N ASP 119.A O no hydrogen 3.183 N/A ILE 124.A N LEU 120.A O no hydrogen 2.900 N/A ARG 125.A N VAL 121.A O no hydrogen 2.800 N/A ARG 125.A NE SER 161.A O no hydrogen 3.000 N/A ARG 125.A NH1 PHE 166.A O no hydrogen 3.048 N/A ARG 125.A NH1 SER 167.A O no hydrogen 3.147 N/A ARG 125.A NH1 ASP 170.A OD2 no hydrogen 2.922 N/A ARG 125.A NH2 SER 161.A O no hydrogen 3.315 N/A ARG 125.A NH2 PHE 166.A O no hydrogen 2.950 N/A LYS 126.A N LYS 122.A O no hydrogen 2.928 N/A GLU 127.A N ILE 123.A O no hydrogen 2.812 N/A LYS 128.A N ILE 124.A O no hydrogen 2.801 N/A LYS 128.A NZ HIS 178.A ND1 no hydrogen 2.977 N/A ASP 130.A N LYS 32.A O no hydrogen 2.799 N/A GLY 131.A N LYS 32.A O no hydrogen 3.451 N/A VAL 132.A N PHE 182.A O no hydrogen 2.945 N/A PHE 133.A N ILE 34.A O no hydrogen 2.792 N/A ALA 134.A N ALA 184.A O no hydrogen 3.184 N/A ASP 136.A N TYR 186.A O no hydrogen 2.848 N/A TRP 138.A N ASP 136.A OD1 no hydrogen 2.890 N/A LEU 139.A N ASP 136.A O no hydrogen 3.177 N/A GLU 142.A N LEU 139.A O no hydrogen 3.251 N/A SER 143.A OG TYR 141.A O no hydrogen 3.010 N/A HIS 144.A N GLU 142.A OE1 no hydrogen 2.829 N/A ARG 148.A N HIS 144.A O no hydrogen 3.165 N/A ARG 148.A NH1 GLU 142.A O no hydrogen 2.907 N/A ARG 149.A N PRO 145.A O no hydrogen 2.829 N/A ARG 149.A NH1 LEU 110.A O no hydrogen 2.877 N/A THR 150.A N ASP 146.A O no hydrogen 3.079 N/A THR 150.A OG1 ASP 146.A O no hydrogen 2.718 N/A GLY 151.A N HIS 147.A O no hydrogen 3.168 N/A PHE 152.A N ARG 148.A O no hydrogen 3.045 N/A LEU 153.A N ARG 149.A O no hydrogen 2.848 N/A ALA 154.A N THR 150.A O no hydrogen 2.845 N/A ILE 155.A N GLY 151.A O no hydrogen 3.156 N/A GLU 156.A N PHE 152.A O no hydrogen 2.941 N/A SER 157.A N LEU 153.A O no hydrogen 2.846 N/A SER 157.A OG ARG 117.A O no hydrogen 3.548 N/A SER 157.A OG LEU 153.A O no hydrogen 2.742 N/A VAL 158.A N ALA 154.A O no hydrogen 2.930 N/A ALA 159.A N ILE 155.A O no hydrogen 3.174 N/A PHE 160.A N GLU 156.A O no hydrogen 2.816 N/A SER 161.A N SER 157.A O no hydrogen 2.934 N/A SER 161.A OG SER 157.A O no hydrogen 2.767 N/A GLN 162.A N ALA 159.A O no hydrogen 3.287 N/A LEU 163.A N PHE 160.A O no hydrogen 3.007 N/A PHE 166.A N LEU 163.A O no hydrogen 2.942 N/A ASP 170.A N SER 167.A O no hydrogen 3.073 N/A ASP 172.A N ASN 168.A O no hydrogen 3.170 N/A ILE 173.A N ILE 169.A O no hydrogen 3.014 N/A ILE 173.A N ASP 170.A O no hydrogen 3.198 N/A GLY 174.A N ILE 171.A O no hydrogen 3.001 N/A LEU 175.A N ASP 170.A O no hydrogen 2.846 N/A HIS 178.A N SER 161.A O no hydrogen 3.170 N/A HIS 178.A NE2 PRO 129.A O no hydrogen 2.836 N/A SER 179.A OG GLN 162.A OE1 no hydrogen 2.774 N/A SER 181.A N ASP 130.A O no hydrogen 2.802 N/A PHE 182.A N ASP 130.A O no hydrogen 3.109 N/A ALA 184.A N VAL 132.A O no hydrogen 2.855 N/A LEU 185.A N ARG 245.A O no hydrogen 2.901 N/A TYR 186.A N ALA 134.A O no hydrogen 2.872 N/A TYR 186.A OH ILE 36.A O no hydrogen 2.729 N/A TYR 187.A OH ASP 42.A OD1 no hydrogen 2.763 N/A THR 188.A N TYR 232.A OH no hydrogen 3.272 N/A THR 188.A OG1 ASP 136.A OD2 no hydrogen 2.699 N/A LYS 190.A N THR 188.A OG1 no hydrogen 3.038 N/A ASN 192.A N PHE 244.A O no hydrogen 2.808 N/A ASN 192.A ND2 PHE 244.A O no hydrogen 3.369 N/A ASN 192.A ND2 VAL 246.A O no hydrogen 3.365 N/A TYR 193.A N PHE 244.A O no hydrogen 3.064 N/A VAL 195.A N GLU 242.A O no hydrogen 2.874 N/A ILE 197.A N TYR 240.A O no hydrogen 2.904 N/A THR 198.A N ASP 196.A OD1 no hydrogen 2.906 N/A THR 198.A OG1 ASP 196.A OD1 no hydrogen 2.784 N/A THR 198.A OG1 TYR 240.A O no hydrogen 3.448 N/A LEU 200.A N ILE 197.A O no hydrogen 2.848 N/A LYS 203.A N LEU 200.A O no hydrogen 2.853 N/A LYS 203.A NZ ILE 45.A O no hydrogen 2.806 N/A LYS 203.A NZ GLU 242.A OE2 no hydrogen 2.792 N/A LYS 205.A N GLU 201.A O no hydrogen 2.985 N/A ALA 206.A N LEU 202.A O no hydrogen 2.857 N/A ILE 207.A N LYS 203.A O no hydrogen 2.932 N/A ARG 208.A N LEU 204.A O no hydrogen 2.898 N/A ARG 208.A NH1 ASP 216.A OD2 no hydrogen 3.026 N/A ARG 208.A NH2 PHE 214.A O no hydrogen 3.020 N/A ARG 208.A NH2 ASP 216.A OD2 no hydrogen 2.758 N/A ALA 209.A N LYS 205.A O no hydrogen 2.908 N/A HIS 210.A N ILE 207.A O no hydrogen 2.940 N/A ARG 211.A NH2 GLU 90.A OE2 no hydrogen 2.810 N/A SER 212.A N GLU 87.A OE2 no hydrogen 2.799 N/A SER 212.A OG GLU 87.A OE1 no hydrogen 2.700 N/A SER 212.A OG GLU 87.A OE2 no hydrogen 3.416 N/A SER 212.A OG GLN 213.A OE1 no hydrogen 2.965 N/A GLN 213.A N HIS 210.A O no hydrogen 3.010 N/A GLN 213.A NE2 GLY 69.A O no hydrogen 3.423 N/A PHE 214.A N HIS 210.A O no hydrogen 3.133 N/A PHE 214.A N ARG 211.A O no hydrogen 3.224 N/A ILE 218.A N THR 215.A OG1 no hydrogen 3.143 N/A TRP 219.A N THR 215.A O no hydrogen 2.906 N/A TRP 219.A NE1 GLU 223.A OE2 no hydrogen 2.960 N/A GLU 220.A N ASP 216.A O no hydrogen 3.229 N/A GLU 220.A N ASP 217.A O no hydrogen 3.218 N/A THR 221.A N ILE 218.A O no hydrogen 2.982 N/A TRP 222.A N ILE 218.A O no hydrogen 2.969 N/A GLU 223.A N TRP 219.A O no hydrogen 2.898 N/A PHE 225.A N THR 221.A O no hydrogen 3.019 N/A LEU 226.A N TRP 222.A O no hydrogen 2.817 N/A ARG 227.A N GLU 223.A O no hydrogen 2.883 N/A ARG 227.A NE GLU 223.A OE1 no hydrogen 3.084 N/A ARG 227.A NH1 TYR 240.A OH no hydrogen 2.863 N/A ARG 227.A NH2 GLU 201.A OE2 no hydrogen 2.986 N/A ARG 227.A NH2 GLU 223.A OE1 no hydrogen 2.900 N/A THR 228.A N PRO 224.A O no hydrogen 2.916 N/A THR 228.A OG1 PRO 224.A O no hydrogen 2.795 N/A VAL 229.A N PHE 225.A O no hydrogen 2.837 N/A THR 230.A N LEU 226.A O no hydrogen 2.965 N/A THR 230.A OG1 LEU 226.A O no hydrogen 3.091 N/A THR 230.A OG1 ARG 227.A O no hydrogen 2.998 N/A TYR 232.A N VAL 229.A O no hydrogen 3.141 N/A TYR 232.A OH THR 188.A O no hydrogen 2.620 N/A GLY 233.A N THR 230.A O no hydrogen 2.776 N/A LYS 235.A N TYR 232.A O no hydrogen 3.075 N/A ILE 236.A N GLY 233.A O no hydrogen 2.973 N/A GLY 237.A N GLU 234.A O no hydrogen 3.086 N/A VAL 238.A N GLY 233.A O no hydrogen 3.009 N/A TYR 240.A N THR 198.A OG1 no hydrogen 3.062 N/A GLY 241.A N THR 230.A O no hydrogen 2.872 N/A GLU 242.A N VAL 195.A O no hydrogen 2.868 N/A PHE 244.A N TYR 193.A O no hydrogen 2.851 N/A ARG 245.A N LEU 185.A O no hydrogen 2.875 N/A ARG 245.A NH1 LYS 190.A O no hydrogen 2.965 N/A ARG 245.A NH1 ILE 260.A OXT no hydrogen 3.067 N/A ARG 245.A NH2 ILE 260.A OXT no hydrogen 2.805 N/A PHE 250.A N PRO 247.A O no hydrogen 2.898 N/A TYR 251.A N GLY 248.A O no hydrogen 3.156 N/A HIS 252.A N LEU 249.A O no hydrogen 3.166 N/A THR 254.A OG1 LEU 249.A O no hydrogen 3.133 N/A THR 254.A OG1 HIS 252.A O no hydrogen 2.923 N/A ALA 257.A N THR 254.A O no hydrogen 3.261 N/A LEU 259.A N PHE 256.A O no hydrogen 2.969 N/A ILE 260.A N ALA 257.A O no hydrogen 3.451 N/A