Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLN 30.A OE1 no hydrogen 2.805 N/A LYS 5.A NZ THR 150.A OG1 no hydrogen 2.638 N/A THR 6.A OG1 ASP 27.A OD2 no hydrogen 2.824 N/A ARG 9.A N LEU 24.A O no hydrogen 2.881 N/A ARG 9.A NH1 GLU 257.A O no hydrogen 3.179 N/A SER 11.A N VAL 22.A O no hydrogen 3.051 N/A SER 11.A OG GLU 257.A OE1 no hydrogen 3.423 N/A SER 11.A OG GLU 257.A OE2 no hydrogen 3.292 N/A LEU 14.A N SER 11.A OG no hydrogen 2.839 N/A SER 15.A N SER 11.A O no hydrogen 2.953 N/A SER 15.A OG SER 11.A O no hydrogen 2.715 N/A SER 15.A OG THR 20.A O no hydrogen 3.544 N/A LYS 16.A N MET 12.A O no hydrogen 3.089 N/A VAL 17.A N ALA 13.A O no hydrogen 3.208 N/A ALA 18.A N LEU 14.A O no hydrogen 2.914 N/A GLY 19.A N SER 15.A O no hydrogen 2.759 N/A THR 20.A N SER 15.A O no hydrogen 3.409 N/A THR 20.A OG1 LEU 290.A O no hydrogen 3.314 N/A VAL 22.A N SER 15.A OG no hydrogen 2.678 N/A PHE 23.A N LEU 293.A O no hydrogen 2.871 N/A LEU 24.A N ARG 9.A O no hydrogen 2.711 N/A LYS 25.A N VAL 295.A O no hydrogen 3.146 N/A LYS 25.A NZ THR 6.A O no hydrogen 2.856 N/A LYS 25.A NZ GLU 146.A OE1 no hydrogen 2.784 N/A MET 26.A N PRO 7.A O no hydrogen 3.131 N/A ASP 27.A N LYS 25.A O no hydrogen 2.792 N/A SER 29.A N MET 26.A O no hydrogen 2.771 N/A GLN 30.A N ASP 27.A O no hydrogen 2.957 N/A GLN 30.A NE2 VAL 4.A O no hydrogen 2.761 N/A GLN 30.A NE2 ASP 27.A OD2 no hydrogen 2.937 N/A SER 32.A OG SER 34.A OG no hydrogen 3.171 N/A SER 34.A OG SER 32.A OG no hydrogen 3.171 N/A PHE 35.A N CYS 298.A O no hydrogen 3.249 N/A ILE 37.A N SER 34.A O no hydrogen 3.497 N/A ARG 38.A N PHE 35.A O no hydrogen 2.888 N/A ARG 38.A NE ASP 27.A OD1 no hydrogen 2.649 N/A ARG 38.A NH1 SER 142.A OG no hydrogen 2.941 N/A ARG 38.A NH1 GLU 146.A OE2 no hydrogen 2.850 N/A ARG 38.A NH2 ASP 27.A OD1 no hydrogen 3.448 N/A ARG 38.A NH2 ASP 27.A OD2 no hydrogen 2.744 N/A ARG 38.A NH2 GLU 146.A OE1 no hydrogen 3.108 N/A ARG 38.A NH2 GLU 146.A OE2 no hydrogen 3.560 N/A GLY 39.A N HIS 140.A ND1 no hydrogen 2.988 N/A ILE 40.A N LYS 36.A O no hydrogen 3.051 N/A GLY 41.A N ILE 37.A O no hydrogen 2.697 N/A HIS 42.A N ARG 38.A O no hydrogen 2.876 N/A LEU 43.A N GLY 39.A O no hydrogen 3.127 N/A CYS 44.A N ILE 40.A O no hydrogen 2.885 N/A CYS 44.A SG ILE 40.A O no hydrogen 3.324 N/A LYS 45.A N GLY 41.A O no hydrogen 2.910 N/A MET 46.A N HIS 42.A O no hydrogen 3.080 N/A LYS 47.A N LEU 43.A O no hydrogen 2.964 N/A ALA 48.A N CYS 44.A O no hydrogen 2.754 N/A LYS 49.A N LYS 45.A O no hydrogen 3.099 N/A LYS 49.A NZ LYS 45.A O no hydrogen 3.276 N/A GLN 50.A N MET 46.A O no hydrogen 3.090 N/A GLY 51.A N ALA 48.A O no hydrogen 2.937 N/A CYS 52.A N LYS 47.A O no hydrogen 2.936 N/A CYS 52.A SG HIS 54.A O no hydrogen 3.595 N/A CYS 52.A SG GLY 124.A O no hydrogen 3.507 N/A LYS 53.A N GLY 124.A O no hydrogen 2.899 N/A HIS 54.A NE2 THR 79.A OG1 no hydrogen 2.759 N/A PHE 55.A N PRO 77.A O no hydrogen 2.987 N/A VAL 56.A N VAL 126.A O no hydrogen 2.843 N/A CYS 57.A N THR 79.A O no hydrogen 3.127 N/A CYS 57.A SG SER 59.A O no hydrogen 4.015 N/A CYS 57.A SG ILE 128.A O no hydrogen 3.752 N/A SER 58.A OG TYR 127.A OH no hydrogen 2.993 N/A ASN 62.A ND2 GLU 262.A OE1 no hydrogen 3.253 N/A MET 65.A N GLY 61.A O no hydrogen 2.939 N/A ALA 66.A N ASN 62.A O no hydrogen 2.696 N/A THR 67.A N ALA 63.A O no hydrogen 2.813 N/A THR 67.A OG1 ALA 63.A O no hydrogen 2.963 N/A ALA 68.A N GLY 64.A O no hydrogen 2.789 N/A TYR 69.A N MET 65.A O no hydrogen 2.911 N/A ALA 70.A N ALA 66.A O no hydrogen 2.968 N/A ALA 71.A N THR 67.A O no hydrogen 2.890 N/A ARG 72.A N ALA 68.A O no hydrogen 2.929 N/A ARG 73.A N TYR 69.A O no hydrogen 2.892 N/A LEU 74.A N ALA 70.A O no hydrogen 2.818 N/A GLY 75.A N ARG 72.A O no hydrogen 2.925 N/A LEU 76.A N ALA 71.A O no hydrogen 2.853 N/A THR 79.A N PHE 55.A O no hydrogen 2.777 N/A THR 79.A OG1 HIS 54.A NE2 no hydrogen 2.759 N/A ILE 80.A N THR 100.A O no hydrogen 2.628 N/A VAL 81.A N CYS 57.A O no hydrogen 2.859 N/A VAL 82.A N GLU 102.A O no hydrogen 2.991 N/A SER 84.A N GLY 105.A O no hydrogen 2.612 N/A THR 86.A OG1 PRO 83.A O no hydrogen 2.534 N/A THR 90.A N PRO 87.A O no hydrogen 2.824 N/A THR 90.A OG1 ASN 302.A OD1 no hydrogen 3.130 N/A ILE 91.A N PRO 87.A O no hydrogen 3.064 N/A GLU 92.A N ALA 88.A O no hydrogen 2.937 N/A ARG 93.A N LEU 89.A O no hydrogen 3.195 N/A LEU 94.A N THR 90.A O no hydrogen 3.291 N/A LYS 95.A N ILE 91.A O no hydrogen 2.854 N/A LYS 95.A NZ GLU 92.A OE1 no hydrogen 3.161 N/A ASN 96.A N GLU 92.A O no hydrogen 2.821 N/A GLU 97.A N LEU 94.A O no hydrogen 3.073 N/A GLY 98.A N LYS 95.A O no hydrogen 2.917 N/A THR 100.A N ALA 78.A O no hydrogen 2.787 N/A GLU 102.A N ILE 80.A O no hydrogen 2.702 N/A VAL 104.A N VAL 82.A O no hydrogen 2.913 N/A GLY 105.A N GLU 110.A OE2 no hydrogen 3.315 N/A GLU 110.A N MET 107.A O no hydrogen 2.742 N/A ILE 112.A N LEU 108.A O no hydrogen 3.201 N/A GLN 113.A N ASP 109.A O no hydrogen 2.951 N/A LEU 114.A N GLU 110.A O no hydrogen 2.981 N/A ALA 115.A N ALA 111.A O no hydrogen 3.157 N/A LYS 116.A N ILE 112.A O no hydrogen 3.026 N/A ALA 117.A N GLN 113.A O no hydrogen 2.692 N/A LEU 118.A N LEU 114.A O no hydrogen 2.898 N/A GLU 119.A N ALA 115.A O no hydrogen 3.092 N/A LYS 120.A N LYS 116.A O no hydrogen 2.819 N/A ASN 121.A N ALA 117.A O no hydrogen 2.699 N/A ASN 122.A ND2 LEU 118.A O no hydrogen 2.823 N/A TRP 125.A N ASN 122.A O no hydrogen 3.143 N/A VAL 126.A N HIS 54.A O no hydrogen 2.935 N/A TYR 127.A N GLU 119.A OE2 no hydrogen 2.893 N/A TYR 127.A OH SER 58.A OG no hydrogen 2.993 N/A ILE 128.A N VAL 56.A O no hydrogen 2.727 N/A SER 129.A OG ASP 132.A OD1 no hydrogen 3.311 N/A ASP 132.A N SER 129.A O no hydrogen 3.364 N/A ASP 133.A N SER 129.A O no hydrogen 3.104 N/A LEU 135.A N ASP 133.A OD2 no hydrogen 2.775 N/A ILE 136.A N ASP 133.A O no hydrogen 2.947 N/A TRP 137.A NE1 PRO 130.A O no hydrogen 2.957 N/A GLU 138.A N PRO 134.A O no hydrogen 3.232 N/A GLY 139.A N LEU 135.A O no hydrogen 3.231 N/A GLY 139.A N ILE 136.A O no hydrogen 2.934 N/A HIS 140.A N TRP 137.A O no hydrogen 2.848 N/A THR 141.A N GLU 138.A O no hydrogen 3.215 N/A THR 141.A OG1 GLU 177.A OE2 no hydrogen 2.976 N/A SER 142.A OG GLY 139.A O no hydrogen 3.557 N/A LEU 143.A N HIS 140.A O no hydrogen 2.938 N/A LYS 145.A N THR 141.A O no hydrogen 3.266 N/A GLU 146.A N SER 142.A O no hydrogen 3.011 N/A LEU 147.A N LEU 143.A O no hydrogen 3.176 N/A LYS 148.A N VAL 144.A O no hydrogen 2.920 N/A GLU 149.A N LYS 145.A O no hydrogen 3.058 N/A THR 150.A N GLU 146.A O no hydrogen 3.003 N/A THR 150.A N LEU 147.A O no hydrogen 3.137 N/A THR 150.A OG1 GLU 146.A O no hydrogen 3.308 N/A LEU 151.A N LEU 147.A O no hydrogen 2.777 N/A LYS 154.A NZ ASP 182.A OD1 no hydrogen 2.809 N/A LYS 154.A NZ ASP 182.A OD2 no hydrogen 2.892 N/A GLY 156.A N SER 292.A O no hydrogen 2.696 N/A ILE 158.A N PRO 184.A O no hydrogen 2.953 N/A VAL 159.A N VAL 294.A O no hydrogen 2.694 N/A LEU 160.A N ILE 186.A O no hydrogen 3.207 N/A SER 161.A OG ALA 264.A O no hydrogen 2.712 N/A VAL 162.A N MET 188.A O no hydrogen 2.968 N/A GLY 165.A N VAL 162.A O no hydrogen 2.861 N/A CYS 169.A N GLY 165.A O no hydrogen 2.912 N/A CYS 169.A SG GLY 165.A O no hydrogen 3.433 N/A CYS 169.A SG VAL 223.A O no hydrogen 3.926 N/A CYS 169.A SG THR 227.A OG1 no hydrogen 3.569 N/A GLY 170.A N GLY 166.A O no hydrogen 2.819 N/A VAL 171.A N LEU 167.A O no hydrogen 2.917 N/A VAL 172.A N LEU 168.A O no hydrogen 3.165 N/A GLN 173.A N CYS 169.A O no hydrogen 3.071 N/A GLY 174.A N GLY 170.A O no hydrogen 2.928 N/A LEU 175.A N VAL 171.A O no hydrogen 2.678 N/A ARG 176.A N VAL 172.A O no hydrogen 2.945 N/A ARG 176.A NH2 GLU 233.A OE1 no hydrogen 2.794 N/A GLU 177.A N GLN 173.A O no hydrogen 3.181 N/A VAL 178.A N GLY 174.A O no hydrogen 2.932 N/A GLY 179.A N ARG 176.A O no hydrogen 2.918 N/A TRP 180.A N LEU 175.A O no hydrogen 2.814 N/A VAL 183.A N TRP 180.A O no hydrogen 2.945 N/A ILE 185.A N PRO 235.A O no hydrogen 2.896 N/A ILE 186.A N ILE 158.A O no hydrogen 3.044 N/A ALA 187.A N PHE 237.A O no hydrogen 2.922 N/A MET 188.A N LEU 160.A O no hydrogen 2.948 N/A GLU 189.A N GLU 239.A O no hydrogen 3.177 N/A PHE 191.A N ILE 241.A O no hydrogen 2.793 N/A ALA 199.A N VAL 206.A O no hydrogen 3.130 N/A LYS 201.A N LYS 204.A O no hydrogen 2.560 N/A LYS 201.A NZ GLU 202.A OE1 no hydrogen 3.358 N/A LYS 210.A N GLU 189.A OE1 no hydrogen 2.620 N/A THR 212.A N PRO 209.A O no hydrogen 2.707 N/A THR 212.A OG1 PRO 209.A O no hydrogen 2.690 N/A SER 213.A N PRO 209.A O no hydrogen 3.408 N/A VAL 214.A N LYS 210.A O no hydrogen 3.377 N/A LYS 216.A N THR 212.A O no hydrogen 2.759 N/A ALA 217.A N SER 213.A O no hydrogen 2.873 N/A LEU 218.A N VAL 214.A O no hydrogen 3.054 N/A GLY 219.A N ALA 215.A O no hydrogen 2.760 N/A VAL 223.A N PHE 131.A O no hydrogen 2.849 N/A ALA 225.A N THR 222.A OG1 no hydrogen 3.263 N/A GLN 226.A N THR 222.A O no hydrogen 2.913 N/A THR 227.A N VAL 223.A O no hydrogen 2.854 N/A THR 227.A OG1 VAL 223.A O no hydrogen 2.734 N/A LEU 228.A N GLY 224.A O no hydrogen 2.943 N/A LYS 229.A N ALA 225.A O no hydrogen 2.923 N/A LYS 229.A NZ GLU 233.A OE1 no hydrogen 3.268 N/A LYS 229.A NZ GLU 233.A OE2 no hydrogen 3.083 N/A LEU 230.A N GLN 226.A O no hydrogen 2.977 N/A PHE 231.A N THR 227.A O no hydrogen 2.915 N/A PHE 231.A N LEU 228.A O no hydrogen 3.254 N/A TYR 232.A N LYS 229.A O no hydrogen 3.126 N/A TYR 232.A OH VAL 200.A O no hydrogen 3.072 N/A GLU 233.A N LEU 230.A O no hydrogen 3.193 N/A HIS 234.A NE2 VAL 183.A O no hydrogen 2.974 N/A PHE 237.A N ILE 185.A O no hydrogen 2.814 N/A GLU 239.A N ALA 187.A O no hydrogen 3.050 N/A ILE 241.A N GLU 189.A O no hydrogen 2.732 N/A SER 242.A N GLU 245.A OE1 no hydrogen 2.926 N/A SER 242.A OG GLU 245.A OE1 no hydrogen 3.214 N/A GLN 244.A NE2 SER 242.A OG no hydrogen 3.149 N/A GLU 245.A N SER 242.A OG no hydrogen 3.107 N/A ALA 246.A N SER 242.A O no hydrogen 2.946 N/A VAL 247.A N ASP 243.A O no hydrogen 2.887 N/A THR 248.A N GLN 244.A O no hydrogen 2.774 N/A THR 248.A OG1 GLN 244.A O no hydrogen 2.864 N/A ALA 249.A N GLU 245.A O no hydrogen 2.917 N/A ILE 250.A N ALA 246.A O no hydrogen 3.136 N/A GLU 251.A N VAL 247.A O no hydrogen 3.176 N/A LYS 252.A N THR 248.A O no hydrogen 2.869 N/A PHE 253.A N ALA 249.A O no hydrogen 2.706 N/A VAL 254.A N ILE 250.A O no hydrogen 2.942 N/A ASP 255.A N GLU 251.A O no hydrogen 3.130 N/A ASP 256.A N LYS 252.A O no hydrogen 2.913 N/A GLU 257.A N PHE 253.A O no hydrogen 2.741 N/A LYS 258.A NZ ASP 255.A O no hydrogen 2.749 N/A GLU 262.A N GLY 299.A O no hydrogen 3.114 N/A GLY 266.A N GLU 262.A O no hydrogen 2.924 N/A ALA 267.A N PRO 263.A O no hydrogen 2.904 N/A LEU 269.A N CYS 265.A O no hydrogen 3.029 N/A ALA 270.A N GLY 266.A O no hydrogen 2.712 N/A ALA 271.A N ALA 268.A O no hydrogen 2.828 N/A VAL 272.A N LEU 269.A O no hydrogen 2.940 N/A TYR 273.A N LEU 269.A O no hydrogen 3.021 N/A TYR 273.A OH ASP 256.A OD1 no hydrogen 2.665 N/A SER 274.A N ALA 270.A O no hydrogen 2.641 N/A GLY 275.A N VAL 272.A O no hydrogen 2.920 N/A VAL 276.A N ALA 271.A O no hydrogen 2.808 N/A VAL 277.A N ALA 271.A O no hydrogen 3.190 N/A CYS 278.A SG ALA 18.A O no hydrogen 3.526 N/A ARG 279.A N GLY 275.A O no hydrogen 3.149 N/A ARG 279.A NH1 GLU 239.A OE2 no hydrogen 2.584 N/A ARG 279.A NH2 GLU 239.A OE2 no hydrogen 3.226 N/A ARG 279.A NH2 GLU 283.A OE1 no hydrogen 3.396 N/A LEU 280.A N VAL 276.A O no hydrogen 2.918 N/A GLN 281.A N VAL 277.A O no hydrogen 2.806 N/A GLN 281.A NE2 GLN 287.A O no hydrogen 3.086 N/A ALA 282.A N CYS 278.A O no hydrogen 2.464 N/A GLU 283.A N ARG 279.A O no hydrogen 3.007 N/A ARG 285.A NH1 GLU 283.A OE2 no hydrogen 2.751 N/A LEU 286.A N LEU 280.A O no hydrogen 3.413 N/A LEU 293.A N SER 21.A O no hydrogen 3.197 N/A VAL 294.A N ALA 157.A O no hydrogen 2.990 N/A VAL 295.A N PHE 23.A O no hydrogen 2.824 N/A ILE 296.A N VAL 159.A O no hydrogen 2.812 N/A VAL 297.A N LYS 25.A O no hydrogen 3.023 N/A GLY 300.A N GLY 33.A O no hydrogen 2.886 N/A SER 301.A N ASN 62.A OD1 no hydrogen 3.110 N/A SER 301.A OG ASN 62.A OD1 no hydrogen 3.404 N/A ASN 302.A N GLU 262.A OE2 no hydrogen 2.721 N/A ILE 303.A N SER 301.A O no hydrogen 2.854 N/A GLN 307.A N SER 304.A OG no hydrogen 3.178 N/A GLN 307.A NE2 SER 304.A OG no hydrogen 3.000 N/A LEU 308.A N SER 304.A O no hydrogen 2.805 N/A GLN 309.A N LEU 305.A O no hydrogen 3.302 N/A ALA 310.A N ALA 306.A O no hydrogen 3.029 N/A LEU 311.A N GLN 307.A O no hydrogen 2.979 N/A LEU 311.A N LEU 308.A O no hydrogen 3.149 N/A LYS 312.A N LEU 308.A O no hydrogen 2.782 N/A LYS 312.A NZ GLU 251.A OE1 no hydrogen 3.023 N/A LYS 312.A NZ GLU 251.A OE2 no hydrogen 3.315 N/A ALA 313.A N GLN 309.A O no hydrogen 2.693 N/A GLN 314.A N ALA 310.A O no hydrogen 2.987 N/A LEU 315.A N LEU 311.A O no hydrogen 2.648 N/A