Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w2q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N HIS 1.A ND1 no hydrogen 3.064 N/A ASN 4.A ND2 SER 72.A OG no hydrogen 2.799 N/A ALA 6.A N ASN 4.A OD1 no hydrogen 3.134 N/A ARG 9.A NH1 TYR 306.A OH no hydrogen 3.336 N/A LEU 11.A N ILE 84.A O no hydrogen 2.692 N/A LYS 12.A NZ GLU 38.A OE2 no hydrogen 3.492 N/A GLU 15.A N LYS 12.A O no hydrogen 2.811 N/A PHE 16.A N GLU 13.A O no hydrogen 3.497 N/A LYS 17.A N LEU 34.A O no hydrogen 2.909 N/A LYS 18.A NZ GLN 91.A OE1 no hydrogen 2.687 N/A ILE 19.A N LYS 32.A O no hydrogen 2.831 N/A LYS 20.A N LYS 32.A O no hydrogen 3.152 N/A LEU 22.A N VAL 30.A O no hydrogen 2.735 N/A GLY 23.A N VAL 30.A O no hydrogen 3.314 N/A GLY 25.A N GLY 28.A O no hydrogen 2.970 N/A THR 29.A N GLU 50.A O no hydrogen 2.898 N/A VAL 30.A N GLY 23.A O no hydrogen 2.889 N/A TYR 31.A N ILE 48.A O no hydrogen 2.758 N/A LYS 32.A N LYS 20.A O no hydrogen 2.644 N/A GLY 33.A N VAL 46.A O no hydrogen 2.910 N/A LEU 34.A N LYS 17.A O no hydrogen 3.034 N/A TRP 35.A N ILE 44.A O no hydrogen 2.730 N/A ILE 36.A N GLU 15.A O no hydrogen 2.645 N/A GLU 38.A N GLU 15.A OE2 no hydrogen 3.040 N/A GLU 40.A N PRO 37.A O no hydrogen 3.270 N/A LYS 43.A N ASP 299.A O no hydrogen 2.809 N/A ILE 44.A N TRP 35.A O no hydrogen 2.914 N/A VAL 46.A N GLY 33.A O no hydrogen 2.931 N/A ALA 47.A N MET 94.A O no hydrogen 2.797 N/A ILE 48.A N TYR 31.A O no hydrogen 2.827 N/A LYS 49.A N LEU 92.A O no hydrogen 2.817 N/A GLU 50.A N THR 29.A O no hydrogen 2.846 N/A LEU 51.A N VAL 90.A O no hydrogen 3.195 N/A ARG 52.A N PHE 27.A O no hydrogen 3.148 N/A THR 55.A N ARG 52.A O no hydrogen 3.358 N/A THR 55.A OG1 ARG 52.A O no hydrogen 2.651 N/A ALA 59.A N SER 56.A OG no hydrogen 3.039 N/A ASN 60.A N SER 56.A O no hydrogen 3.058 N/A ASN 60.A ND2 SER 56.A O no hydrogen 3.165 N/A LYS 61.A N PRO 57.A O no hydrogen 3.081 N/A GLU 62.A N LYS 58.A O no hydrogen 3.146 N/A ILE 63.A N ALA 59.A O no hydrogen 3.008 N/A LEU 64.A N ASN 60.A O no hydrogen 2.981 N/A ASP 65.A N LYS 61.A O no hydrogen 2.870 N/A GLU 66.A N GLU 62.A O no hydrogen 2.946 N/A ALA 67.A N ILE 63.A O no hydrogen 2.895 N/A TYR 68.A N LEU 64.A O no hydrogen 2.868 N/A VAL 69.A N ASP 65.A O no hydrogen 3.137 N/A MET 70.A N GLU 66.A O no hydrogen 2.980 N/A ALA 71.A N ALA 67.A O no hydrogen 2.873 N/A SER 72.A N VAL 69.A O no hydrogen 3.066 N/A SER 72.A OG TYR 68.A O no hydrogen 2.846 N/A ASP 74.A N TYR 131.A OH no hydrogen 2.859 N/A HIS 77.A N ASN 75.A OD1 no hydrogen 2.937 N/A HIS 77.A ND1 VAL 155.A O no hydrogen 3.372 N/A VAL 78.A N ASN 75.A O no hydrogen 3.245 N/A CYS 79.A N ILE 157.A O no hydrogen 2.956 N/A CYS 79.A SG ILE 157.A O no hydrogen 3.729 N/A ARG 80.A NH1 TYR 306.A O no hydrogen 3.003 N/A LEU 82.A N ILE 93.A O no hydrogen 2.791 N/A GLY 83.A N ILE 93.A O no hydrogen 3.321 N/A ILE 84.A N ARG 9.A O no hydrogen 3.036 N/A CYS 85.A N GLN 91.A O no hydrogen 2.748 N/A CYS 85.A SG LEU 11.A O no hydrogen 3.300 N/A THR 87.A OG1 THR 89.A O no hydrogen 2.724 N/A THR 89.A OG1 LEU 51.A O no hydrogen 2.683 N/A GLN 91.A N CYS 85.A O no hydrogen 2.932 N/A GLN 91.A NE2 THR 87.A OG1 no hydrogen 2.946 N/A LEU 92.A N LYS 49.A O no hydrogen 2.918 N/A ILE 93.A N GLY 83.A O no hydrogen 2.872 N/A MET 94.A N ALA 47.A O no hydrogen 2.815 N/A GLN 95.A N ARG 80.A O no hydrogen 3.123 N/A GLN 95.A NE2 ASP 302.A OD1 no hydrogen 3.295 N/A GLN 95.A NE2 ASP 304.A OD2 no hydrogen 3.428 N/A LEU 96.A N PRO 45.A O no hydrogen 3.208 N/A PHE 99.A N VAL 149.A O no hydrogen 3.202 N/A GLY 100.A N MET 97.A O no hydrogen 2.963 N/A LEU 102.A N VAL 147.A O no hydrogen 2.791 N/A LEU 103.A N ALA 144.A O no hydrogen 3.125 N/A TYR 105.A N CYS 101.A O no hydrogen 3.026 N/A VAL 106.A N LEU 102.A O no hydrogen 2.985 N/A ARG 107.A N LEU 103.A O no hydrogen 3.293 N/A ARG 107.A NE GLY 215.A O no hydrogen 2.712 N/A ARG 107.A NH2 GLY 215.A O no hydrogen 2.881 N/A GLU 108.A N ASP 104.A O no hydrogen 2.879 N/A HIS 109.A N TYR 105.A O no hydrogen 2.957 N/A HIS 109.A ND1 TYR 105.A O no hydrogen 2.987 N/A LYS 110.A NZ PHE 214.A O no hydrogen 3.220 N/A ASN 112.A N HIS 109.A O no hydrogen 2.857 N/A SER 115.A N ASP 288.A OD1 no hydrogen 3.084 N/A SER 115.A OG ASP 288.A OD1 no hydrogen 3.558 N/A SER 115.A OG ASP 288.A OD2 no hydrogen 2.479 N/A GLN 116.A NE2 GLN 116.A O no hydrogen 3.417 N/A GLN 116.A NE2 ASN 120.A OD1 no hydrogen 2.921 N/A GLN 116.A NE2 ALA 276.A O no hydrogen 3.142 N/A LEU 118.A N GLY 114.A O no hydrogen 3.338 N/A LEU 119.A N SER 115.A O no hydrogen 3.149 N/A ASN 120.A N GLN 116.A O no hydrogen 3.038 N/A TRP 121.A N TYR 117.A O no hydrogen 2.895 N/A TRP 121.A NE1 PRO 152.A O no hydrogen 2.766 N/A CYS 122.A N LEU 118.A O no hydrogen 3.138 N/A CYS 122.A SG LEU 118.A O no hydrogen 3.332 N/A VAL 123.A N LEU 119.A O no hydrogen 2.993 N/A GLN 124.A N ASN 120.A O no hydrogen 2.940 N/A GLN 124.A NE2 GLN 153.A O no hydrogen 2.793 N/A ILE 125.A N TRP 121.A O no hydrogen 2.941 N/A ALA 126.A N CYS 122.A O no hydrogen 2.998 N/A LYS 127.A N VAL 123.A O no hydrogen 2.822 N/A GLY 128.A N GLN 124.A O no hydrogen 2.949 N/A MET 129.A N ILE 125.A O no hydrogen 2.919 N/A ASN 130.A N ALA 126.A O no hydrogen 2.847 N/A TYR 131.A N LYS 127.A O no hydrogen 3.007 N/A LEU 132.A N GLY 128.A O no hydrogen 3.051 N/A GLU 133.A N MET 129.A O no hydrogen 2.850 N/A ASP 134.A N ASN 130.A O no hydrogen 2.944 N/A ARG 135.A N TYR 131.A O no hydrogen 2.961 N/A ARG 135.A NE SER 72.A O no hydrogen 3.287 N/A ARG 135.A NH2 SER 72.A O no hydrogen 3.229 N/A ARG 136.A N GLU 133.A O no hydrogen 2.827 N/A LEU 137.A N LEU 132.A O no hydrogen 2.865 N/A VAL 138.A N LYS 164.A O no hydrogen 2.946 N/A HIS 139.A N ASP 200.A OD1 no hydrogen 2.761 N/A HIS 139.A NE2 THR 158.A O no hydrogen 2.885 N/A ARG 140.A N ASP 200.A OD2 no hydrogen 3.039 N/A ARG 140.A NH1 ARG 162.A O no hydrogen 2.829 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.948 N/A ALA 144.A N GLU 210.A OE2 no hydrogen 2.894 N/A ARG 145.A NH2 ASP 141.A OD1 no hydrogen 2.975 N/A ASN 146.A N ALA 143.A O no hydrogen 2.815 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.730 N/A VAL 147.A N ALA 144.A O no hydrogen 3.427 N/A LEU 148.A N LYS 156.A O no hydrogen 2.778 N/A VAL 149.A N GLY 100.A O no hydrogen 2.870 N/A LYS 150.A N HIS 154.A O no hydrogen 2.941 N/A LYS 150.A NZ ASP 302.A OD2 no hydrogen 3.369 N/A LYS 150.A NZ ASP 304.A OD2 no hydrogen 2.644 N/A THR 151.A N HIS 154.A O no hydrogen 3.305 N/A THR 151.A OG1 GLN 153.A OE1 no hydrogen 3.360 N/A GLN 153.A N THR 151.A OG1 no hydrogen 3.168 N/A GLN 153.A NE2 TYR 117.A OH no hydrogen 2.791 N/A GLN 153.A NE2 PRO 294.A O no hydrogen 3.074 N/A HIS 154.A N THR 151.A O no hydrogen 2.912 N/A HIS 154.A NE2 PRO 76.A O no hydrogen 2.732 N/A VAL 155.A N GLN 124.A OE1 no hydrogen 2.844 N/A LYS 156.A N LEU 148.A O no hydrogen 2.909 N/A LYS 156.A NZ GLN 95.A OE1 no hydrogen 2.835 N/A LYS 156.A NZ ASP 304.A OD1 no hydrogen 2.694 N/A LYS 156.A NZ ASP 304.A OD2 no hydrogen 3.061 N/A ILE 157.A N HIS 77.A O no hydrogen 2.904 N/A THR 158.A N ASN 146.A O no hydrogen 2.829 N/A ASP 159.A N THR 158.A OG1 no hydrogen 2.645 N/A PHE 160.A N GLU 66.A OE1 no hydrogen 3.130 N/A GLY 161.A N ASP 159.A OD2 no hydrogen 3.208 N/A ARG 162.A NE ARG 140.A O no hydrogen 2.864 N/A ARG 162.A NH1 ARG 140.A O no hydrogen 2.994 N/A ARG 162.A NH1 TYR 195.A OH no hydrogen 3.154 N/A ALA 163.A N PHE 160.A O no hydrogen 3.170 N/A LYS 164.A N VAL 138.A O no hydrogen 2.931 N/A LYS 164.A NZ TYR 173.A OH no hydrogen 3.173 N/A LEU 166.A N ARG 136.A O no hydrogen 3.004 N/A GLY 167.A N GLU 170.A OE1 no hydrogen 3.065 N/A GLU 170.A N GLY 167.A O no hydrogen 2.920 N/A TYR 173.A N TYR 195.A O no hydrogen 2.870 N/A ALA 175.A N ARG 193.A O no hydrogen 2.866 N/A ILE 182.A N VAL 180.A O no hydrogen 2.920 N/A LYS 183.A NZ TYR 219.A O no hydrogen 3.061 N/A LYS 183.A NZ ILE 222.A O no hydrogen 2.663 N/A TRP 184.A N PRO 181.A O no hydrogen 3.031 N/A TRP 184.A NE1 GLU 210.A OE2 no hydrogen 2.782 N/A MET 185.A N ILE 182.A O no hydrogen 3.098 N/A GLU 188.A N GLU 188.A OE2 no hydrogen 2.741 N/A SER 189.A N ALA 186.A O no hydrogen 2.956 N/A SER 189.A OG ILE 194.A O no hydrogen 2.766 N/A ILE 190.A N ALA 186.A O no hydrogen 3.215 N/A LEU 191.A N LEU 187.A O no hydrogen 3.002 N/A HIS 192.A N GLU 188.A O no hydrogen 2.937 N/A ARG 193.A N SER 189.A O no hydrogen 3.005 N/A ILE 194.A N GLU 188.A O no hydrogen 3.447 N/A TYR 195.A N TYR 173.A O no hydrogen 2.862 N/A THR 196.A N SER 199.A OG no hydrogen 2.869 N/A GLN 198.A NE2 ALA 259.A O no hydrogen 3.080 N/A GLN 198.A NE2 ARG 262.A O no hydrogen 3.216 N/A GLN 198.A NE2 PRO 263.A O no hydrogen 3.272 N/A SER 199.A N THR 196.A O no hydrogen 3.079 N/A SER 199.A N THR 196.A OG1 no hydrogen 3.183 N/A SER 199.A OG THR 196.A O no hydrogen 2.752 N/A ASP 200.A N THR 196.A O no hydrogen 3.154 N/A VAL 201.A N HIS 197.A O no hydrogen 3.078 N/A TRP 202.A N GLN 198.A O no hydrogen 3.458 N/A SER 203.A N SER 199.A O no hydrogen 3.363 N/A SER 203.A OG TRP 184.A O no hydrogen 2.646 N/A SER 203.A OG SER 199.A O no hydrogen 3.535 N/A TYR 204.A N ASP 200.A O no hydrogen 2.879 N/A TYR 204.A OH CYS 122.A O no hydrogen 2.787 N/A GLY 205.A N VAL 201.A O no hydrogen 2.997 N/A VAL 206.A N TRP 202.A O no hydrogen 3.153 N/A THR 207.A N SER 203.A O no hydrogen 2.815 N/A THR 207.A OG1 SER 203.A O no hydrogen 2.831 N/A VAL 208.A N TYR 204.A O no hydrogen 2.801 N/A TRP 209.A N GLY 205.A O no hydrogen 2.966 N/A TRP 209.A NE1 PRO 238.A O no hydrogen 2.774 N/A GLU 210.A N VAL 206.A O no hydrogen 2.920 N/A LEU 211.A N THR 207.A O no hydrogen 3.078 N/A MET 212.A N VAL 208.A O no hydrogen 2.893 N/A THR 213.A N TRP 209.A O no hydrogen 3.123 N/A THR 213.A OG1 TRP 209.A O no hydrogen 2.852 N/A THR 213.A OG1 GLU 210.A O no hydrogen 3.018 N/A PHE 214.A N LEU 211.A O no hydrogen 2.911 N/A GLY 215.A N GLU 210.A O no hydrogen 2.666 N/A SER 216.A N THR 213.A OG1 no hydrogen 3.240 N/A SER 216.A OG THR 213.A O no hydrogen 3.513 N/A ILE 222.A N TYR 219.A O no hydrogen 3.030 N/A GLU 226.A N PRO 223.A O no hydrogen 3.027 N/A ILE 227.A N ALA 224.A O no hydrogen 3.320 N/A SER 229.A OG GLU 226.A O no hydrogen 3.199 N/A ILE 230.A N GLU 226.A O no hydrogen 3.201 N/A LEU 231.A N ILE 227.A O no hydrogen 2.923 N/A GLU 232.A N SER 228.A O no hydrogen 3.051 N/A LYS 233.A N SER 229.A O no hydrogen 3.118 N/A LYS 233.A N ILE 230.A O no hydrogen 3.273 N/A GLY 234.A N LEU 231.A O no hydrogen 3.031 N/A GLU 235.A N ILE 230.A O no hydrogen 3.403 N/A ARG 236.A NE TRP 255.A O no hydrogen 2.953 N/A ARG 236.A NH1 TRP 255.A O no hydrogen 2.989 N/A ARG 236.A NH2 LEU 231.A O no hydrogen 2.859 N/A ARG 236.A NH2 GLU 235.A O no hydrogen 2.756 N/A GLN 239.A NE2 CYS 243.A O no hydrogen 3.036 N/A CYS 243.A N PRO 240.A O no hydrogen 2.864 N/A THR 244.A N TYR 282.A O no hydrogen 3.318 N/A THR 244.A OG1 TYR 282.A O no hydrogen 2.629 N/A VAL 247.A N THR 244.A O no hydrogen 3.119 N/A TYR 248.A N THR 244.A O no hydrogen 3.041 N/A TYR 248.A OH LEU 237.A O no hydrogen 2.649 N/A MET 249.A N ILE 245.A O no hydrogen 2.744 N/A MET 251.A N VAL 247.A O no hydrogen 3.358 N/A VAL 252.A N TYR 248.A O no hydrogen 2.958 N/A LYS 253.A N MET 249.A O no hydrogen 2.936 N/A CYS 254.A N ILE 250.A O no hydrogen 3.204 N/A CYS 254.A SG ILE 250.A O no hydrogen 3.386 N/A TRP 255.A N VAL 252.A O no hydrogen 2.916 N/A SER 261.A N ASP 258.A O no hydrogen 2.825 N/A SER 261.A OG ASP 258.A OD1 no hydrogen 2.472 N/A ARG 262.A N ALA 259.A O no hydrogen 3.208 N/A ARG 262.A NE MET 256.A O no hydrogen 2.784 N/A ARG 262.A NH1 GLU 188.A OE1 no hydrogen 3.464 N/A ARG 262.A NH1 GLU 188.A OE2 no hydrogen 2.793 N/A ARG 262.A NH1 MET 256.A O no hydrogen 2.958 N/A ARG 262.A NH2 GLU 188.A OE1 no hydrogen 2.830 N/A ARG 262.A NH2 GLN 198.A O no hydrogen 2.881 N/A LYS 264.A N GLU 267.A OE1 no hydrogen 3.051 N/A LYS 264.A NZ ASP 260.A O no hydrogen 3.568 N/A LYS 264.A NZ ARG 262.A O no hydrogen 3.105 N/A GLU 267.A N LYS 264.A O no hydrogen 2.908 N/A LEU 268.A N LYS 264.A O no hydrogen 2.995 N/A ILE 269.A N PHE 265.A O no hydrogen 2.954 N/A ILE 270.A N ARG 266.A O no hydrogen 3.422 N/A GLU 271.A N GLU 267.A O no hydrogen 2.904 N/A PHE 272.A N LEU 268.A O no hydrogen 3.025 N/A SER 273.A N ILE 269.A O no hydrogen 2.958 N/A LYS 274.A N ILE 270.A O no hydrogen 2.985 N/A LYS 274.A NZ GLU 271.A OE1 no hydrogen 2.968 N/A MET 275.A N GLU 271.A O no hydrogen 3.254 N/A ALA 276.A N PHE 272.A O no hydrogen 2.885 N/A ARG 277.A N LYS 274.A O no hydrogen 3.276 N/A ASP 278.A N MET 275.A O no hydrogen 3.054 N/A ARG 281.A N ASP 278.A O no hydrogen 3.053 N/A TYR 282.A N PRO 279.A O no hydrogen 2.967 N/A LEU 283.A N PRO 279.A O no hydrogen 3.046 N/A VAL 284.A N ILE 242.A O no hydrogen 2.827 N/A ASP 288.A N ILE 285.A O no hydrogen 3.143 N/A GLU 289.A N GLU 289.A OE2 no hydrogen 2.706 N/A ARG 290.A N GLY 287.A O no hydrogen 3.164 N/A MET 291.A N ASP 288.A O no hydrogen 3.170 N/A VAL 301.A N LYS 43.A O no hydrogen 2.892 N/A ASP 304.A N ASP 302.A OD2 no hydrogen 2.808 N/A GLU 305.A N ASP 302.A O no hydrogen 2.951 N/A TYR 306.A N ALA 303.A O no hydrogen 2.990 N/A TYR 306.A OH GLU 40.A OE1 no hydrogen 3.286 N/A TYR 306.A OH GLU 40.A OE2 no hydrogen 2.385 N/A