Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nmw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N SER 51.A OG no hydrogen 2.876 N/A GLN 5.A N.A LEU 42.A O no hydrogen 2.811 N/A GLN 5.A N.B LEU 42.A O no hydrogen 2.833 N/A GLN 5.A NE2.B THR 6.A O no hydrogen 3.432 N/A TYR 7.A N LEU 40.A O no hydrogen 2.939 N/A GLU 9.A N.A GLY 35.A O no hydrogen 2.836 N/A GLU 9.A N.B GLY 35.A O no hydrogen 2.837 N/A CYS 12.A SG HIS 13.A O no hydrogen 3.784 N/A HIS 13.A ND1 HIS 41.A NE2 no hydrogen 2.776 N/A LEU 14.A N THR 39.A O no hydrogen 2.906 N/A VAL 15.A N ILE 73.A O no hydrogen 2.826 N/A LEU 16.A N HIS 41.A O no hydrogen 2.974 N/A LEU 17.A N.A LEU 75.A O no hydrogen 2.897 N/A LEU 17.A N.B LEU 75.A O no hydrogen 2.913 N/A HIS 18.A ND1 GLY 19.A O no hydrogen 2.782 N/A TRP 20.A NE1 LEU 170.A O no hydrogen 2.871 N/A LEU 22.A N GLY 19.A O no hydrogen 3.337 N/A ASN 23.A ND2 VAL 159.A O no hydrogen 3.466 N/A ALA 24.A N ASP 44.A OD1 no hydrogen 2.781 N/A GLU 25.A N ASN 23.A OD1 no hydrogen 2.838 N/A VAL 26.A N.A ASN 23.A O no hydrogen 3.199 N/A VAL 26.A N.B ASN 23.A O no hydrogen 3.205 N/A TRP 27.A N ALA 24.A O no hydrogen 3.069 N/A HIS 28.A N GLU 25.A O no hydrogen 3.098 N/A CYS 29.A SG PHE 230.A O no hydrogen 3.348 N/A ILE 30.A N.A TRP 27.A O no hydrogen 3.059 N/A ILE 30.A N.B TRP 27.A O no hydrogen 3.022 N/A ARG 31.A N.A HIS 28.A O no hydrogen 3.376 N/A ARG 31.A N.B HIS 28.A O no hydrogen 3.420 N/A GLU 33.A N.B GLU 33.A OE2.B no hydrogen 2.925 N/A LEU 34.A N ILE 30.A O.A no hydrogen 3.065 N/A LEU 34.A N ILE 30.A O.B no hydrogen 3.160 N/A GLY 35.A N ARG 31.A O.A no hydrogen 2.880 N/A GLY 35.A N ARG 31.A O.B no hydrogen 2.817 N/A HIS 37.A N LEU 34.A O no hydrogen 2.902 N/A PHE 38.A N LEU 34.A O no hydrogen 2.874 N/A THR 39.A N CYS 12.A O no hydrogen 2.893 N/A THR 39.A OG1 GLY 10.A O no hydrogen 2.777 N/A LEU 40.A N TYR 7.A O no hydrogen 2.715 N/A HIS 41.A N LEU 14.A O no hydrogen 2.811 N/A HIS 41.A NE2 HIS 13.A ND1 no hydrogen 2.776 N/A LEU 42.A N GLN 5.A O.A no hydrogen 2.807 N/A LEU 42.A N GLN 5.A O.B no hydrogen 2.793 N/A ASP 44.A N TRP 3.A O no hydrogen 3.054 N/A LEU 45.A N HIS 18.A NE2 no hydrogen 2.938 N/A GLY 47.A N SER 51.A O no hydrogen 2.730 N/A TYR 48.A N LEU 45.A O no hydrogen 2.858 N/A ARG 50.A N ASP 44.A OD2 no hydrogen 2.710 N/A ARG 50.A NE ASP 44.A OD2 no hydrogen 2.768 N/A ARG 50.A NH1 GLU 25.A OE2 no hydrogen 2.987 N/A ARG 50.A NH1 ASP 44.A OD1 no hydrogen 3.163 N/A ARG 50.A NH1 ASP 44.A OD2 no hydrogen 3.295 N/A ARG 50.A NH2 GLU 25.A OE2 no hydrogen 3.051 N/A SER 51.A N TYR 48.A O no hydrogen 2.966 N/A SER 51.A OG ASP 44.A O no hydrogen 2.687 N/A SER 52.A OG.A GLY 49.A O no hydrogen 3.356 N/A PHE 54.A N SER 52.A O.A no hydrogen 3.105 N/A THR 57.A N GLU 60.A OE2.A no hydrogen 2.864 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.812 N/A GLU 60.A N.A THR 57.A OG1 no hydrogen 3.250 N/A GLU 60.A N.B THR 57.A OG1 no hydrogen 3.288 N/A THR 61.A OG1 LEU 58.A O no hydrogen 2.819 N/A ALA 62.A N GLU 59.A O no hydrogen 3.184 N/A GLN 63.A N.A GLU 60.A O.A no hydrogen 3.286 N/A GLN 63.A N.A GLU 60.A O.B no hydrogen 3.067 N/A GLN 63.A N.B GLU 60.A O.A no hydrogen 3.282 N/A GLN 63.A N.B GLU 60.A O.B no hydrogen 3.059 N/A ALA 65.A N THR 61.A O no hydrogen 2.868 N/A LYS 66.A N GLN 63.A O.A no hydrogen 3.133 N/A LYS 66.A NZ GLN 63.A OE1.A no hydrogen 3.055 N/A ALA 68.A N ALA 65.A O no hydrogen 3.408 N/A ALA 72.A N ARG 93.A O no hydrogen 3.147 N/A ILE 73.A N HIS 13.A O no hydrogen 2.925 N/A TRP 74.A N ALA 96.A O no hydrogen 2.883 N/A LEU 75.A N VAL 15.A O no hydrogen 2.858 N/A GLY 76.A N VAL 98.A O no hydrogen 2.929 N/A TRP 77.A N LEU 17.A O.A no hydrogen 2.891 N/A TRP 77.A N LEU 17.A O.B no hydrogen 2.870 N/A TRP 77.A NE1 HIS 227.A O no hydrogen 2.764 N/A SER 78.A N VAL 100.A O.A no hydrogen 3.073 N/A SER 78.A N VAL 100.A O.B no hydrogen 3.038 N/A SER 78.A OG HIS 227.A NE2 no hydrogen 2.886 N/A GLY 80.A N TRP 77.A O no hydrogen 2.794 N/A GLY 81.A N SER 78.A O no hydrogen 2.791 N/A LEU 82.A N LEU 79.A O no hydrogen 2.963 N/A VAL 83.A N LEU 79.A O no hydrogen 3.317 N/A ALA 84.A N GLY 80.A O no hydrogen 2.885 N/A SER 85.A N GLY 81.A O no hydrogen 2.960 N/A SER 85.A OG GLY 81.A O no hydrogen 2.795 N/A GLN 86.A N LEU 82.A O no hydrogen 2.882 N/A LEU 88.A N SER 85.A O no hydrogen 3.017 N/A THR 89.A N.A GLN 86.A O no hydrogen 3.004 N/A THR 89.A N.B GLN 86.A O no hydrogen 2.953 N/A THR 89.A OG1.A GLN 86.A O no hydrogen 2.852 N/A THR 89.A OG1.B GLN 86.A O no hydrogen 3.099 N/A ARG 93.A N HIS 90.A O no hydrogen 2.817 N/A ARG 93.A NE ASP 70.A O.A no hydrogen 3.211 N/A ARG 93.A NH1 ALA 65.A O no hydrogen 3.331 N/A ARG 93.A NH2 ALA 65.A O no hydrogen 3.057 N/A ARG 93.A NH2 PRO 69.A O no hydrogen 3.037 N/A VAL 94.A N PRO 91.A O no hydrogen 3.087 N/A GLN 95.A N ALA 72.A O no hydrogen 2.821 N/A LEU 97.A N PRO 191.A O no hydrogen 2.810 N/A VAL 98.A N TRP 74.A O no hydrogen 2.799 N/A THR 99.A N LEU 193.A O no hydrogen 3.034 N/A VAL 100.A N.A GLY 76.A O no hydrogen 2.873 N/A VAL 100.A N.B GLY 76.A O no hydrogen 2.867 N/A ALA 101.A N LEU 195.A O no hydrogen 2.831 N/A SER 102.A OG SER 78.A O no hydrogen 2.740 N/A CYS 105.A N SER 103.A OG no hydrogen 2.986 N/A CYS 105.A SG SER 107.A O.A no hydrogen 3.548 N/A CYS 105.A SG SER 107.A O.B no hydrogen 3.594 N/A CYS 105.A SG VAL 180.A O no hydrogen 3.923 N/A SER 107.A OG.A LYS 178.A O no hydrogen 3.111 N/A SER 107.A OG.B LYS 178.A O no hydrogen 2.882 N/A ALA 108.A N ILE 115.A O no hydrogen 2.859 N/A ARG 109.A N TRP 112.A O no hydrogen 3.068 N/A ARG 109.A NE SER 107.A OG.A no hydrogen 2.822 N/A ARG 109.A NH2 SER 107.A OG.A no hydrogen 2.893 N/A ARG 109.A NH2 LYS 178.A O no hydrogen 3.320 N/A ARG 109.A NH2 THR 179.A O no hydrogen 3.403 N/A TRP 112.A N ARG 109.A O no hydrogen 2.854 N/A TRP 112.A NE1 CYS 105.A O no hydrogen 2.810 N/A ILE 115.A N PHE 106.A O no hydrogen 2.876 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.746 N/A ILE 119.A N LYS 116.A O no hydrogen 2.921 N/A LEU 120.A N LYS 116.A O no hydrogen 3.480 N/A GLY 121.A N PRO 117.A O no hydrogen 2.878 N/A GLY 122.A N GLU 118.A O no hydrogen 2.844 N/A PHE 123.A N ILE 119.A O no hydrogen 3.038 N/A GLN 124.A N LEU 120.A O no hydrogen 3.003 N/A GLN 124.A NE2 ASN 171.A O no hydrogen 3.139 N/A GLN 124.A NE2 GLU 175.A OE1 no hydrogen 2.864 N/A GLN 125.A N GLY 121.A O no hydrogen 2.961 N/A GLN 126.A N.A GLY 122.A O no hydrogen 2.953 N/A GLN 126.A N.B GLY 122.A O no hydrogen 2.907 N/A GLN 126.A NE2.A GLN 125.A OE1 no hydrogen 2.504 N/A LEU 127.A N PHE 123.A O no hydrogen 3.085 N/A LEU 127.A N GLN 124.A O no hydrogen 3.318 N/A SER 128.A N GLN 125.A O no hydrogen 3.274 N/A ASP 129.A N GLN 126.A O.B no hydrogen 3.340 N/A ASP 130.A N GLN 126.A O.A no hydrogen 2.910 N/A ASP 130.A N GLN 126.A O.B no hydrogen 2.909 N/A GLN 132.A NE2 GLU 136.A OE2 no hydrogen 2.915 N/A ARG 133.A NE ASP 130.A OD1 no hydrogen 2.831 N/A ARG 133.A NH2 ASP 130.A OD1 no hydrogen 3.199 N/A THR 134.A N ASP 130.A O no hydrogen 2.996 N/A THR 134.A OG1 GLN 126.A O.A no hydrogen 3.285 N/A THR 134.A OG1 ASP 130.A O no hydrogen 2.723 N/A VAL 135.A N PHE 131.A O no hydrogen 3.211 N/A GLU 136.A N GLN 132.A O no hydrogen 3.125 N/A ARG 137.A N.A ARG 133.A O no hydrogen 2.772 N/A ARG 137.A N.B ARG 133.A O no hydrogen 2.752 N/A ARG 137.A NH1.A GLN 126.A OE1.B no hydrogen 2.727 N/A ARG 137.A NH1.B THR 134.A OG1 no hydrogen 3.220 N/A ARG 137.A NH2.A ASP 130.A OD2 no hydrogen 3.454 N/A ARG 137.A NH2.B ASP 130.A OD2 no hydrogen 3.011 N/A PHE 138.A N THR 134.A O no hydrogen 3.029 N/A LEU 139.A N VAL 135.A O no hydrogen 3.132 N/A ALA 140.A N GLU 136.A O no hydrogen 2.842 N/A LEU 141.A N PHE 138.A O no hydrogen 3.300 N/A GLN 142.A N LEU 139.A O no hydrogen 3.010 N/A GLN 142.A NE2 PHE 138.A O no hydrogen 3.528 N/A THR 146.A OG1 THR 143.A O no hydrogen 2.875 N/A THR 148.A OG1 ASP 152.A OD2 no hydrogen 2.520 N/A ALA 149.A N THR 146.A O no hydrogen 3.321 N/A ASP 152.A N THR 148.A O no hydrogen 2.870 N/A ALA 153.A N ALA 149.A O no hydrogen 2.862 N/A ARG 154.A N ARG 150.A O no hydrogen 3.143 N/A THR 155.A N GLN 151.A O no hydrogen 2.942 N/A THR 155.A OG1 GLN 151.A O no hydrogen 3.102 N/A LEU 156.A N ASP 152.A O no hydrogen 3.082 N/A LYS 157.A N ALA 153.A O no hydrogen 2.894 N/A SER 158.A N.A ARG 154.A O no hydrogen 2.863 N/A SER 158.A N.B ARG 154.A O no hydrogen 2.863 N/A SER 158.A OG.A ARG 154.A O no hydrogen 2.978 N/A SER 158.A OG.B ARG 154.A O no hydrogen 3.503 N/A SER 158.A OG.B THR 155.A O no hydrogen 2.607 N/A VAL 159.A N THR 155.A O no hydrogen 3.182 N/A VAL 160.A N.A LEU 156.A O no hydrogen 3.112 N/A VAL 160.A N.B LEU 156.A O no hydrogen 3.139 N/A LEU 161.A N LYS 157.A O no hydrogen 3.000 N/A ALA 162.A N SER 158.A O.A no hydrogen 3.084 N/A ALA 162.A N SER 158.A O.B no hydrogen 3.139 N/A GLN 163.A N VAL 160.A O.A no hydrogen 3.472 N/A GLU 168.A N.A GLU 168.A OE1.A no hydrogen 2.860 N/A VAL 169.A N ASP 166.A OD1.B no hydrogen 2.751 N/A LEU 170.A N ASP 166.A O.A no hydrogen 3.146 N/A LEU 170.A N ASP 166.A O.B no hydrogen 3.254 N/A ASN 171.A N VAL 167.A O no hydrogen 2.783 N/A GLY 172.A N GLU 168.A O.A no hydrogen 2.938 N/A GLY 172.A N GLU 168.A O.B no hydrogen 3.023 N/A GLY 173.A N VAL 169.A O no hydrogen 2.954 N/A LEU 174.A N LEU 170.A O no hydrogen 3.113 N/A GLU 175.A N ASN 171.A O no hydrogen 3.010 N/A ILE 176.A N GLY 172.A O no hydrogen 3.029 N/A LEU 177.A N GLY 173.A O no hydrogen 3.159 N/A LYS 178.A N LEU 174.A O no hydrogen 2.848 N/A LYS 178.A NZ GLN 124.A OE1 no hydrogen 2.803 N/A LYS 178.A NZ GLU 175.A OE1 no hydrogen 3.325 N/A THR 179.A N GLU 175.A O no hydrogen 2.949 N/A THR 179.A OG1 GLU 175.A O no hydrogen 2.773 N/A VAL 180.A N ILE 176.A O no hydrogen 2.985 N/A LEU 182.A N PRO 104.A O no hydrogen 2.829 N/A ARG 183.A N ASP 181.A OD1 no hydrogen 3.116 N/A ARG 183.A NE ASP 181.A OD1 no hydrogen 2.996 N/A ARG 183.A NE ASP 181.A OD2 no hydrogen 3.455 N/A ARG 183.A NH2 ASP 181.A OD2 no hydrogen 2.898 N/A LEU 186.A N LEU 182.A O no hydrogen 3.010 N/A LYS 187.A N GLU 184.A O.A no hydrogen 3.185 N/A LYS 187.A N GLU 184.A O.B no hydrogen 3.110 N/A LYS 187.A NZ GLU 184.A OE1.A no hydrogen 3.136 N/A LYS 187.A NZ GLU 184.A OE2.A no hydrogen 2.662 N/A LYS 187.A NZ GLU 184.A OE2.B no hydrogen 3.218 N/A ASN 188.A N ALA 185.A O no hydrogen 3.178 N/A ASN 188.A ND2 ALA 185.A O no hydrogen 3.620 N/A VAL 189.A N LEU 186.A O no hydrogen 3.418 N/A LEU 193.A N LEU 97.A O no hydrogen 2.870 N/A ARG 194.A N THR 219.A O no hydrogen 2.858 N/A ARG 194.A NE TYR 196.A OH no hydrogen 2.961 N/A ARG 194.A NH1 TYR 196.A OH no hydrogen 3.109 N/A ARG 194.A NH1 VAL 208.A O no hydrogen 3.093 N/A ARG 194.A NH1 ASP 212.A OD1 no hydrogen 3.222 N/A ARG 194.A NH2 ASP 212.A OD1 no hydrogen 2.758 N/A ARG 194.A NH2 SER 218.A OG no hydrogen 2.884 N/A LEU 195.A N THR 99.A O no hydrogen 2.786 N/A TYR 196.A N GLN 221.A O no hydrogen 2.930 N/A LEU 199.A N ALA 225.A O no hydrogen 2.853 N/A ASP 200.A N GLY 197.A O no hydrogen 3.201 N/A LEU 202.A N ASP 200.A OD1 no hydrogen 2.735 N/A VAL 203.A N ASP 200.A OD1 no hydrogen 2.928 N/A ARG 205.A NH1 TYR 198.A O no hydrogen 2.986 N/A ILE 207.A N PRO 204.A O no hydrogen 2.978 N/A VAL 208.A N ARG 205.A O no hydrogen 3.025 N/A LEU 211.A N ILE 207.A O no hydrogen 2.896 N/A ASP 212.A N VAL 208.A O no hydrogen 2.845 N/A THR 213.A N PRO 209.A O no hydrogen 3.243 N/A THR 213.A OG1 PRO 209.A O no hydrogen 3.226 N/A LEU 214.A N LEU 210.A O no hydrogen 2.918 N/A TRP 215.A N LEU 211.A O no hydrogen 2.788 N/A TRP 215.A NE1 ARG 183.A O no hydrogen 2.890 N/A SER 218.A N TRP 215.A O no hydrogen 2.957 N/A SER 218.A OG TRP 215.A O no hydrogen 2.775 N/A THR 219.A N PHE 192.A O no hydrogen 2.914 N/A SER 220.A OG ASP 212.A OD1 no hydrogen 2.774 N/A SER 220.A OG ASP 212.A OD2 no hydrogen 3.353 N/A GLN 221.A N ARG 194.A O no hydrogen 2.913 N/A HIS 227.A N GLN 142.A O no hydrogen 3.043 N/A HIS 227.A ND1 ASP 200.A OD2 no hydrogen 2.701 N/A HIS 227.A NE2 SER 78.A OG no hydrogen 2.886 N/A ILE 231.A N ALA 228.A O no hydrogen 2.943 N/A SER 232.A N ALA 228.A O no hydrogen 3.107 N/A SER 232.A OG ALA 228.A O no hydrogen 3.448 N/A HIS 233.A N PRO 229.A O no hydrogen 2.774 N/A PHE 237.A N HIS 233.A O no hydrogen 3.075 N/A CYS 238.A N PRO 234.A O no hydrogen 2.914 N/A CYS 238.A SG PRO 234.A O no hydrogen 3.298 N/A GLN 239.A N ALA 235.A O no hydrogen 3.015 N/A GLN 239.A NE2 GLN 239.A O no hydrogen 2.969 N/A GLN 239.A NE2 THR 242.A OG1 no hydrogen 3.109 N/A ALA 240.A N ALA 236.A O no hydrogen 3.093 N/A LEU 241.A N PHE 237.A O no hydrogen 3.302 N/A THR 242.A OG1 GLN 239.A O no hydrogen 3.204 N/A LEU 243.A N ALA 240.A O no hydrogen 3.037 N/A LYS 244.A N LEU 241.A O no hydrogen 2.887 N/A LYS 244.A NZ ASN 11.A OD1 no hydrogen 2.845 N/A LYS 244.A NZ HIS 37.A O no hydrogen 2.818 N/A SER 245.A OG.B THR 242.A O no hydrogen 2.992 N/A SER 246.A N THR 242.A O no hydrogen 3.271 N/A SER 246.A N LEU 243.A O no hydrogen 2.948 N/A SER 246.A OG LEU 243.A O no hydrogen 2.622 N/A LEU 247.A N LYS 244.A O no hydrogen 3.371 N/A