Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wl3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 6.A OG1 GLU 9.A OE1 no hydrogen 3.041 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.706 N/A GLU 9.A N THR 6.A OG1 no hydrogen 3.040 N/A ALA 10.A N THR 6.A O no hydrogen 3.167 N/A PHE 11.A N PHE 7.A O no hydrogen 2.821 N/A ASN 12.A N GLU 8.A O no hydrogen 3.061 N/A ASN 12.A ND2 GLU 8.A O no hydrogen 2.599 N/A LYS 13.A N GLU 9.A O no hydrogen 2.783 N/A LEU 14.A N ALA 10.A O no hydrogen 2.703 N/A LEU 15.A N PHE 11.A O no hydrogen 2.791 N/A ARG 16.A N ASN 12.A O no hydrogen 2.998 N/A ARG 16.A NH1 ASN 12.A OD1 no hydrogen 2.935 N/A GLU 17.A N LYS 13.A O no hydrogen 2.704 N/A VAL 18.A N LYS 13.A O no hydrogen 3.178 N/A LEU 19.A N LEU 14.A O no hydrogen 2.832 N/A PHE 21.A N LEU 15.A O no hydrogen 2.795 N/A LYS 28.A N ASN 25.A O no hydrogen 2.909 N/A ALA 30.A N PHE 27.A O no hydrogen 3.218 N/A LYS 31.A N ASP 133.A OD1 no hydrogen 2.787 N/A LYS 32.A N ASP 133.A OD1 no hydrogen 2.805 N/A LYS 32.A NZ GLU 130.A O no hydrogen 2.726 N/A LYS 32.A NZ GLU 130.A OE2 no hydrogen 2.767 N/A VAL 33.A N GLU 60.A O no hydrogen 2.694 N/A LEU 34.A N GLY 134.A O no hydrogen 3.087 N/A CYS 35.A N ILE 62.A O no hydrogen 2.756 N/A ILE 36.A N PHE 136.A O no hydrogen 2.774 N/A GLU 37.A N VAL 64.A O no hydrogen 2.852 N/A HIS 39.A N ASP 42.A OD2 no hydrogen 3.157 N/A HIS 39.A NE2 ASP 149.A OD1 no hydrogen 2.823 N/A ASP 41.A N GLU 91.A OE1 no hydrogen 2.874 N/A ASP 42.A N HIS 39.A O no hydrogen 3.055 N/A CYS 43.A N GLU 37.A OE1 no hydrogen 2.802 N/A CYS 43.A SG CYS 35.A O no hydrogen 3.456 N/A ILE 45.A N ASP 41.A O no hydrogen 3.052 N/A GLY 46.A N ASP 42.A O no hydrogen 2.862 N/A MET 47.A N CYS 43.A O no hydrogen 2.693 N/A GLY 48.A N VAL 44.A O no hydrogen 2.760 N/A GLY 49.A N GLU 248.A OE2 no hydrogen 3.162 N/A THR 50.A N GLU 248.A OE1 no hydrogen 2.766 N/A THR 50.A OG1 GLU 248.A OE1 no hydrogen 2.649 N/A ILE 51.A N MET 47.A O no hydrogen 2.861 N/A LYS 52.A N GLY 48.A O no hydrogen 2.933 N/A LYS 52.A NZ LEU 97.A O no hydrogen 3.312 N/A LYS 53.A N GLY 49.A O no hydrogen 2.922 N/A LYS 53.A NZ ASP 200.A O no hydrogen 2.318 N/A LEU 54.A N THR 50.A O no hydrogen 3.041 N/A SER 55.A N ILE 51.A O no hydrogen 2.951 N/A SER 55.A OG ILE 51.A O no hydrogen 3.551 N/A SER 55.A OG LEU 98.A O no hydrogen 2.687 N/A ASP 56.A N LYS 52.A O no hydrogen 2.778 N/A MET 57.A N LYS 53.A O no hydrogen 3.051 N/A GLY 58.A N SER 55.A O no hydrogen 2.780 N/A VAL 59.A N LEU 54.A O no hydrogen 2.894 N/A GLU 60.A N LYS 31.A O no hydrogen 2.949 N/A ILE 62.A N VAL 33.A O no hydrogen 2.869 N/A TYR 63.A N LYS 102.A O no hydrogen 2.895 N/A VAL 64.A N CYS 35.A O no hydrogen 2.942 N/A CYS 65.A N TYR 104.A O no hydrogen 2.821 N/A CYS 65.A SG GLU 37.A OE2 no hydrogen 3.544 N/A CYS 65.A SG THR 67.A O no hydrogen 3.300 N/A MET 66.A N GLU 37.A O no hydrogen 2.896 N/A THR 67.A N PRO 38.A O no hydrogen 2.922 N/A THR 67.A OG1 PRO 38.A O no hydrogen 2.829 N/A ASP 68.A N TYR 108.A O no hydrogen 3.145 N/A TYR 70.A N ASP 68.A OD1 no hydrogen 2.852 N/A MET 71.A N ASP 110.A OD2 no hydrogen 2.680 N/A GLY 72.A N GLY 69.A O no hydrogen 3.258 N/A THR 73.A N MET 71.A O no hydrogen 2.986 N/A ASP 75.A N THR 73.A OG1 no hydrogen 2.775 N/A SER 77.A N ASP 75.A OD1 no hydrogen 3.200 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 3.083 N/A LEU 78.A N ASP 75.A O no hydrogen 3.042 N/A SER 79.A N GLU 82.A OE1 no hydrogen 3.044 N/A GLU 82.A N SER 79.A OG no hydrogen 3.066 N/A LEU 83.A N SER 79.A O no hydrogen 2.946 N/A ALA 84.A N GLY 80.A O no hydrogen 2.944 N/A ALA 85.A N HIS 81.A O no hydrogen 2.954 N/A ILE 86.A N GLU 82.A O no hydrogen 2.907 N/A ARG 87.A N LEU 83.A O no hydrogen 2.700 N/A ARG 87.A NH1 GLY 69.A O no hydrogen 2.921 N/A ARG 87.A NH2 PRO 40.A O no hydrogen 2.873 N/A ARG 88.A N ALA 84.A O no hydrogen 3.173 N/A LYS 89.A N ALA 85.A O no hydrogen 3.498 N/A GLU 90.A N ILE 86.A O no hydrogen 2.909 N/A GLU 91.A N ARG 87.A O no hydrogen 2.816 N/A GLU 92.A N ARG 88.A O no hydrogen 2.843 N/A GLU 93.A N LYS 89.A O no hydrogen 2.905 N/A SER 94.A N GLU 90.A O no hydrogen 3.080 N/A SER 94.A OG ALA 211.A O no hydrogen 2.908 N/A ALA 95.A N GLU 91.A O no hydrogen 2.975 N/A ARG 96.A N GLU 92.A O no hydrogen 3.096 N/A LEU 97.A N GLU 93.A O no hydrogen 3.297 N/A LEU 98.A N ALA 95.A O no hydrogen 2.998 N/A GLY 99.A N ARG 96.A O no hydrogen 3.207 N/A VAL 100.A N ALA 95.A O no hydrogen 2.820 N/A LYS 101.A N VAL 61.A O no hydrogen 2.945 N/A LYS 102.A NZ GLU 130.A OE1 no hydrogen 2.973 N/A TYR 104.A N TYR 63.A O no hydrogen 2.821 N/A TYR 104.A OH GLU 130.A OE1 no hydrogen 2.585 N/A LEU 106.A N CYS 65.A O no hydrogen 3.059 N/A TYR 108.A N MET 66.A O no hydrogen 3.235 N/A TYR 108.A OH ASP 122.A OD2 no hydrogen 2.620 N/A ASP 110.A N ASP 68.A OD1 no hydrogen 2.918 N/A THR 111.A N ASP 149.A OD1 no hydrogen 2.671 N/A THR 111.A OG1 ASP 110.A O no hydrogen 2.500 N/A GLU 112.A N ARG 109.A O no hydrogen 2.712 N/A LEU 113.A N ASP 149.A OD2 no hydrogen 3.174 N/A TYR 115.A OH GLU 159.A OE2 no hydrogen 2.414 N/A VAL 119.A N SER 116.A OG no hydrogen 3.265 N/A ARG 120.A N SER 116.A O no hydrogen 3.294 N/A ARG 120.A NE GLU 159.A OE1 no hydrogen 2.674 N/A ARG 120.A NH2 GLU 159.A OE1 no hydrogen 3.039 N/A LYS 121.A N ARG 117.A O no hydrogen 2.854 N/A ASP 122.A N GLU 118.A O no hydrogen 3.121 N/A LEU 123.A N VAL 119.A O no hydrogen 3.088 N/A THR 124.A N ARG 120.A O no hydrogen 2.809 N/A THR 124.A OG1 ARG 120.A O no hydrogen 2.840 N/A LYS 125.A N LYS 121.A O no hydrogen 2.981 N/A ILE 126.A N ASP 122.A O no hydrogen 3.278 N/A LEU 127.A N LEU 123.A O no hydrogen 2.723 N/A ARG 128.A N THR 124.A O no hydrogen 2.913 N/A ARG 128.A NE SER 164.A O no hydrogen 2.787 N/A ARG 128.A NH1 SER 164.A O no hydrogen 3.231 N/A ARG 128.A NH1 PHE 169.A O no hydrogen 2.709 N/A ARG 128.A NH2 PHE 169.A O no hydrogen 3.092 N/A ARG 128.A NH2 SER 170.A O no hydrogen 3.018 N/A ARG 128.A NH2 ASP 173.A OD1 no hydrogen 2.991 N/A LYS 129.A N LYS 125.A O no hydrogen 3.014 N/A GLU 130.A N ILE 126.A O no hydrogen 2.793 N/A GLN 131.A N LEU 127.A O no hydrogen 2.708 N/A ASP 133.A N LYS 32.A O no hydrogen 2.922 N/A VAL 135.A N PHE 186.A O no hydrogen 2.905 N/A PHE 136.A N LEU 34.A O no hydrogen 2.845 N/A ALA 137.A N ALA 188.A O no hydrogen 3.189 N/A ASP 139.A N TYR 190.A O no hydrogen 2.927 N/A TRP 141.A N ASP 139.A OD2 no hydrogen 2.758 N/A LEU 142.A N ASP 139.A O no hydrogen 3.209 N/A HIS 147.A N GLU 145.A OE2 no hydrogen 2.904 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.144 N/A HIS 150.A N HIS 147.A O no hydrogen 2.779 N/A ARG 151.A N HIS 147.A O no hydrogen 3.270 N/A ARG 151.A NH1 GLU 145.A O no hydrogen 3.132 N/A ARG 152.A N PRO 148.A O no hydrogen 2.865 N/A ARG 152.A NH1 LEU 113.A O no hydrogen 2.738 N/A THR 153.A N ASP 149.A O no hydrogen 3.025 N/A THR 153.A OG1 ASP 149.A O no hydrogen 2.685 N/A GLY 154.A N HIS 150.A O no hydrogen 3.158 N/A PHE 155.A N ARG 151.A O no hydrogen 3.111 N/A LEU 156.A N ARG 152.A O no hydrogen 2.896 N/A ALA 157.A N THR 153.A O no hydrogen 2.896 N/A ALA 157.A N GLY 154.A O no hydrogen 3.242 N/A ILE 158.A N GLY 154.A O no hydrogen 3.256 N/A GLU 159.A N PHE 155.A O no hydrogen 2.934 N/A SER 160.A N LEU 156.A O no hydrogen 2.969 N/A SER 160.A OG LEU 156.A O no hydrogen 2.669 N/A VAL 161.A N ALA 157.A O no hydrogen 3.065 N/A ALA 162.A N ILE 158.A O no hydrogen 3.281 N/A PHE 163.A N GLU 159.A O no hydrogen 2.714 N/A SER 164.A N SER 160.A O no hydrogen 2.912 N/A SER 164.A OG SER 160.A O no hydrogen 2.781 N/A GLN 165.A N ALA 162.A O no hydrogen 3.431 N/A GLN 165.A NE2 VAL 161.A O no hydrogen 2.880 N/A LEU 166.A N PHE 163.A O no hydrogen 2.851 N/A PHE 169.A N LEU 166.A O no hydrogen 3.049 N/A ASP 173.A N SER 170.A O no hydrogen 3.271 N/A ASP 175.A N ASN 171.A O no hydrogen 3.289 N/A ILE 176.A N THR 172.A O no hydrogen 2.992 N/A ILE 176.A N ASP 173.A O no hydrogen 3.193 N/A GLY 177.A N LEU 174.A O no hydrogen 3.153 N/A LEU 178.A N ASP 173.A O no hydrogen 3.096 N/A TYR 181.A N SER 164.A O no hydrogen 2.933 N/A TYR 181.A OH PRO 132.A O no hydrogen 2.972 N/A SER 185.A OG PRO 132.A O no hydrogen 2.796 N/A SER 185.A OG TYR 181.A OH no hydrogen 3.026 N/A SER 185.A OG ASN 182.A OD1 no hydrogen 3.229 N/A PHE 186.A N ASP 133.A O no hydrogen 3.122 N/A ALA 188.A N VAL 135.A O no hydrogen 2.905 N/A LEU 189.A N ARG 251.A O no hydrogen 2.871 N/A TYR 190.A N ALA 137.A O no hydrogen 3.023 N/A TYR 190.A OH ILE 36.A O no hydrogen 2.685 N/A TYR 191.A OH ASP 42.A OD1 no hydrogen 2.744 N/A THR 192.A N TYR 238.A OH no hydrogen 3.177 N/A THR 192.A OG1 ASP 139.A OD1 no hydrogen 3.056 N/A LYS 194.A N THR 192.A OG1 no hydrogen 3.047 N/A ASN 196.A N PHE 250.A O no hydrogen 2.835 N/A ASN 196.A ND2 ILE 252.A O no hydrogen 2.885 N/A ASN 196.A ND2 ILE 267.A O no hydrogen 3.052 N/A TYR 197.A N PHE 250.A O no hydrogen 3.300 N/A VAL 199.A N GLU 248.A O no hydrogen 2.950 N/A ILE 201.A N TYR 246.A O no hydrogen 2.703 N/A THR 202.A N ASP 200.A OD1 no hydrogen 2.839 N/A THR 202.A OG1 ASP 200.A OD1 no hydrogen 2.750 N/A THR 202.A OG1 TYR 246.A O no hydrogen 3.553 N/A MET 205.A N THR 202.A O no hydrogen 3.484 N/A LYS 208.A N LEU 204.A O no hydrogen 3.037 N/A LYS 208.A NZ ILE 45.A O no hydrogen 2.940 N/A LYS 208.A NZ GLU 248.A OE2 no hydrogen 2.534 N/A LEU 209.A N MET 205.A O no hydrogen 3.097 N/A LYS 210.A N GLU 206.A O no hydrogen 3.106 N/A ALA 211.A N LEU 207.A O no hydrogen 2.891 N/A ILE 212.A N LYS 208.A O no hydrogen 2.763 N/A ARG 213.A N LEU 209.A O no hydrogen 2.980 N/A ARG 213.A NE PHE 219.A O no hydrogen 3.163 N/A ARG 213.A NH2 PHE 219.A O no hydrogen 2.840 N/A ARG 213.A NH2 ASP 221.A OD2 no hydrogen 2.765 N/A VAL 214.A N LYS 210.A O no hydrogen 3.073 N/A HIS 215.A N ILE 212.A O no hydrogen 3.239 N/A SER 217.A N GLU 90.A OE1 no hydrogen 2.854 N/A SER 217.A OG GLU 90.A OE1 no hydrogen 3.182 N/A SER 217.A OG GLU 90.A OE2 no hydrogen 2.480 N/A GLN 218.A N HIS 215.A O no hydrogen 2.958 N/A GLN 218.A NE2 GLY 72.A O no hydrogen 2.687 N/A GLN 218.A NE2 SER 217.A OG no hydrogen 3.182 N/A PHE 219.A N HIS 215.A O no hydrogen 3.119 N/A PHE 219.A N ARG 216.A O no hydrogen 2.867 N/A ILE 223.A N PRO 220.A O no hydrogen 2.731 N/A TRP 224.A N PRO 220.A O no hydrogen 2.853 N/A GLU 225.A N ASP 221.A O no hydrogen 2.898 N/A LYS 226.A N ILE 223.A O no hydrogen 2.970 N/A TRP 227.A N ILE 223.A O no hydrogen 2.952 N/A GLU 228.A N TRP 224.A O no hydrogen 2.975 N/A PHE 230.A N LYS 226.A O no hydrogen 3.275 N/A LEU 231.A N TRP 227.A O no hydrogen 2.721 N/A ARG 232.A N GLU 228.A O no hydrogen 3.058 N/A ARG 232.A NE GLU 228.A OE1 no hydrogen 2.717 N/A ARG 232.A NH1 GLU 206.A OE1 no hydrogen 3.175 N/A ARG 232.A NH1 TYR 246.A OH no hydrogen 3.116 N/A ARG 232.A NH2 GLU 206.A OE1 no hydrogen 2.523 N/A ARG 232.A NH2 GLU 206.A OE2 no hydrogen 3.493 N/A ARG 232.A NH2 GLU 228.A OE1 no hydrogen 3.012 N/A THR 233.A N PRO 229.A O no hydrogen 2.667 N/A THR 233.A OG1 PRO 229.A O no hydrogen 2.730 N/A ILE 234.A N PHE 230.A O no hydrogen 2.955 N/A ALA 235.A N LEU 231.A O no hydrogen 2.977 N/A MET 236.A N ARG 232.A O no hydrogen 3.002 N/A PHE 237.A N THR 233.A O no hydrogen 2.937 N/A TYR 238.A N ILE 234.A O no hydrogen 3.085 N/A TYR 238.A OH THR 192.A O no hydrogen 2.719 N/A GLY 239.A N ALA 235.A O no hydrogen 2.794 N/A GLU 240.A N MET 236.A O no hydrogen 3.061 N/A LYS 241.A N TYR 238.A O no hydrogen 3.187 N/A ILE 242.A N GLY 239.A O no hydrogen 2.802 N/A GLY 243.A N GLU 240.A O no hydrogen 2.828 N/A VAL 244.A N GLY 239.A O no hydrogen 2.918 N/A TYR 246.A N THR 202.A OG1 no hydrogen 3.081 N/A GLY 247.A N ALA 235.A O no hydrogen 2.588 N/A GLU 248.A N VAL 199.A O no hydrogen 2.802 N/A PHE 250.A N TYR 197.A O no hydrogen 2.838 N/A ARG 251.A N LEU 189.A O no hydrogen 2.868 N/A ARG 251.A NH1 LYS 194.A O no hydrogen 2.800 N/A ARG 251.A NH1 ILE 267.A OXT no hydrogen 3.186 N/A ARG 251.A NH2 ILE 267.A OXT no hydrogen 2.959 N/A ILE 252.A N ASN 196.A OD1 no hydrogen 2.904 N/A PHE 257.A N PRO 254.A O no hydrogen 2.822 N/A TYR 258.A N GLY 255.A O no hydrogen 3.247 N/A HIS 259.A N LEU 256.A O no hydrogen 3.169 N/A THR 261.A OG1 LEU 256.A O no hydrogen 3.201 N/A THR 261.A OG1 HIS 259.A O no hydrogen 2.909 N/A LEU 266.A N PHE 263.A O no hydrogen 3.202 N/A ILE 267.A N THR 264.A O no hydrogen 3.341 N/A