Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3urq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ILE 10.A O no hydrogen 2.999 N/A ILE 3.A N ILE 10.A O no hydrogen 3.121 N/A THR 5.A N GLY 8.A O no hydrogen 3.154 N/A THR 5.A OG1 GLY 8.A O no hydrogen 2.542 N/A VAL 6.A N ILE 90.A O no hydrogen 3.004 N/A ARG 7.A N THR 5.A OG1 no hydrogen 3.206 N/A ARG 7.A NH1 HIS 89.A ND1 no hydrogen 3.206 N/A ARG 7.A NH2 ASP 87.A OD1 no hydrogen 3.065 N/A GLY 8.A N THR 5.A O no hydrogen 3.123 N/A ILE 10.A N ILE 3.A O no hydrogen 3.076 N/A THR 11.A N GLU 14.A OE1 no hydrogen 3.217 N/A THR 11.A OG1 GLU 14.A OE1 no hydrogen 3.276 N/A GLU 14.A N THR 11.A O no hydrogen 3.214 N/A ALA 15.A N ILE 12.A O no hydrogen 3.207 N/A THR 18.A N THR 315.A O no hydrogen 2.950 N/A THR 18.A OG1 GLY 16.A O no hydrogen 3.052 N/A LEU 19.A N THR 63.A O no hydrogen 3.002 N/A HIS 21.A N SER 264.A OG no hydrogen 2.934 N/A GLU 22.A N VAL 65.A O no hydrogen 2.935 N/A HIS 23.A N TRP 267.A O no hydrogen 2.892 N/A HIS 23.A ND1 SER 68.A OG no hydrogen 2.816 N/A ILE 24.A N ASP 66.A OD2 no hydrogen 3.043 N/A GLY 26.A N GLY 270.A O no hydrogen 2.869 N/A SER 27.A N CYS 72.A O no hydrogen 2.932 N/A SER 27.A OG SER 272.A OG no hydrogen 2.758 N/A PHE 31.A N SER 28.A O no hydrogen 2.986 N/A ALA 34.A N GLY 30.A O no hydrogen 3.132 N/A TRP 35.A N PHE 31.A O no hydrogen 2.802 N/A PHE 38.A N TRP 35.A O no hydrogen 3.299 N/A PHE 39.A N PRO 36.A O no hydrogen 3.051 N/A GLY 40.A N GLU 37.A O no hydrogen 3.038 N/A ARG 42.A NH1 ASP 75.A OD2 no hydrogen 2.929 N/A ARG 42.A NH2 ASP 75.A OD2 no hydrogen 3.127 N/A ALA 44.A N SER 41.A OG no hydrogen 2.893 N/A LEU 45.A N SER 41.A O no hydrogen 3.183 N/A VAL 46.A N ARG 42.A O no hydrogen 2.954 N/A GLU 47.A N LYS 43.A O no hydrogen 2.990 N/A LYS 48.A N ALA 44.A O no hydrogen 3.065 N/A LYS 48.A NZ ASP 283.A OD2 no hydrogen 3.061 N/A ALA 49.A N LEU 45.A O no hydrogen 2.943 N/A VAL 50.A N VAL 46.A O no hydrogen 2.807 N/A ARG 51.A N GLU 47.A O no hydrogen 3.033 N/A GLY 52.A N LYS 48.A O no hydrogen 3.032 N/A LEU 53.A N ALA 49.A O no hydrogen 2.978 N/A ARG 54.A N VAL 50.A O no hydrogen 2.899 N/A ARG 54.A NE ALA 85.A O no hydrogen 3.243 N/A ARG 54.A NH2 ALA 85.A O no hydrogen 2.889 N/A ARG 55.A N ARG 51.A O no hydrogen 2.996 N/A ALA 56.A N GLY 52.A O no hydrogen 2.992 N/A ARG 57.A N LEU 53.A O no hydrogen 2.884 N/A ARG 57.A NE ASP 87.A O no hydrogen 3.047 N/A ALA 58.A N ARG 54.A O no hydrogen 2.982 N/A ALA 59.A N ALA 56.A O no hydrogen 3.181 N/A GLY 60.A N ARG 57.A O no hydrogen 3.088 N/A VAL 61.A N ALA 56.A O no hydrogen 3.046 N/A ARG 62.A N PHE 17.A O no hydrogen 2.949 N/A ARG 62.A NH1 ARG 57.A O no hydrogen 2.873 N/A ARG 62.A NH1 VAL 61.A O no hydrogen 2.970 N/A THR 63.A N PHE 17.A O no hydrogen 3.016 N/A THR 63.A OG1 ALA 15.A O no hydrogen 2.729 N/A ILE 64.A N HIS 89.A O no hydrogen 2.937 N/A VAL 65.A N LEU 19.A O no hydrogen 2.810 N/A ASP 66.A N VAL 91.A O no hydrogen 2.827 N/A VAL 67.A N GLU 22.A O no hydrogen 2.940 N/A SER 68.A N ASP 66.A OD1 no hydrogen 2.936 N/A SER 68.A OG HIS 23.A ND1 no hydrogen 2.816 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.650 N/A THR 69.A OG1 ASP 71.A OD1 no hydrogen 2.696 N/A CYS 72.A N THR 69.A O no hydrogen 2.942 N/A GLY 73.A N PHE 70.A O no hydrogen 3.296 N/A ARG 74.A N THR 69.A O no hydrogen 3.138 N/A ARG 74.A NH1 ALA 93.A O no hydrogen 2.751 N/A ARG 74.A NH1 GLU 119.A OE1 no hydrogen 2.859 N/A ARG 74.A NH2 GLU 119.A OE2 no hydrogen 2.817 N/A SER 77.A OG ASP 75.A OD1 no hydrogen 2.700 N/A LEU 78.A N ASP 75.A O no hydrogen 3.057 N/A LEU 79.A N ASP 75.A O no hydrogen 3.100 N/A ALA 80.A N VAL 76.A O no hydrogen 2.828 N/A GLU 81.A N SER 77.A O no hydrogen 3.067 N/A VAL 82.A N LEU 78.A O no hydrogen 2.986 N/A SER 83.A N LEU 79.A O no hydrogen 2.961 N/A SER 83.A OG VAL 88.A O no hydrogen 2.639 N/A ARG 84.A N ALA 80.A O no hydrogen 3.117 N/A ALA 85.A N GLU 81.A O no hydrogen 3.168 N/A ALA 86.A N VAL 82.A O no hydrogen 2.986 N/A VAL 88.A N SER 83.A O no hydrogen 3.168 N/A HIS 89.A N ARG 62.A O no hydrogen 3.015 N/A VAL 91.A N ILE 64.A O no hydrogen 3.010 N/A THR 94.A N ILE 133.A O no hydrogen 2.984 N/A THR 94.A OG1 GLU 119.A OE1 no hydrogen 2.832 N/A GLY 95.A N THR 94.A OG1 no hydrogen 2.745 N/A TRP 97.A N ASP 71.A OD1 no hydrogen 2.945 N/A TRP 97.A N ASP 71.A OD2 no hydrogen 3.072 N/A ASP 99.A N ASP 71.A OD2 no hydrogen 3.202 N/A MET 104.A N PRO 101.A O no hydrogen 2.949 N/A ARG 105.A N PRO 101.A O no hydrogen 2.750 N/A ARG 105.A NH1 PRO 100.A O no hydrogen 2.773 N/A LEU 106.A N LEU 102.A O no hydrogen 3.110 N/A ARG 107.A N MET 104.A O no hydrogen 3.215 N/A ARG 107.A NE GLU 111.A OE1 no hydrogen 2.978 N/A ARG 107.A NH1 SER 103.A O no hydrogen 2.878 N/A SER 108.A N GLU 111.A OE1 no hydrogen 3.050 N/A SER 108.A OG GLU 110.A OE1 no hydrogen 3.435 N/A GLU 110.A N GLU 110.A OE1 no hydrogen 3.057 N/A GLU 111.A N SER 108.A OG no hydrogen 3.408 N/A LEU 112.A N SER 108.A O no hydrogen 3.010 N/A THR 113.A N VAL 109.A O no hydrogen 3.031 N/A THR 113.A OG1 VAL 109.A O no hydrogen 2.532 N/A GLN 114.A N GLU 110.A O no hydrogen 3.190 N/A PHE 115.A N GLU 111.A O no hydrogen 3.026 N/A PHE 116.A N LEU 112.A O no hydrogen 3.100 N/A LEU 117.A N THR 113.A O no hydrogen 2.920 N/A ARG 118.A N GLN 114.A O no hydrogen 2.886 N/A ARG 118.A NH1 GLY 123.A O no hydrogen 2.727 N/A ARG 118.A NH1 GLU 125.A O no hydrogen 2.930 N/A GLU 119.A N PHE 115.A O no hydrogen 3.140 N/A ILE 120.A N PHE 116.A O no hydrogen 3.154 N/A ILE 120.A N LEU 117.A O no hydrogen 3.282 N/A GLN 121.A N LEU 117.A O no hydrogen 2.728 N/A TYR 122.A N ARG 118.A O no hydrogen 2.907 N/A GLY 123.A N ARG 118.A O no hydrogen 2.746 N/A ILE 124.A N ILE 129.A O no hydrogen 2.722 N/A THR 127.A N ILE 124.A O no hydrogen 3.160 N/A THR 127.A OG1 ILE 124.A O no hydrogen 2.639 N/A ILE 129.A N THR 127.A OG1 no hydrogen 3.296 N/A ALA 131.A N GLU 119.A O no hydrogen 2.848 N/A GLY 132.A N ALA 92.A O no hydrogen 2.887 N/A ILE 134.A N PRO 162.A O no hydrogen 2.859 N/A THR 137.A N HIS 166.A O no hydrogen 3.341 N/A THR 137.A OG1 ASP 173.A OD2 no hydrogen 3.079 N/A GLY 139.A N ASP 173.A OD2 no hydrogen 2.807 N/A ALA 141.A N GLN 176.A OE1 no hydrogen 2.975 N/A THR 142.A N GLN 145.A OE1 no hydrogen 3.237 N/A GLN 145.A N THR 142.A OG1 no hydrogen 3.232 N/A GLU 146.A N THR 142.A O no hydrogen 3.169 N/A LEU 147.A N PRO 143.A O no hydrogen 3.436 N/A VAL 148.A N PHE 144.A O no hydrogen 3.090 N/A LEU 149.A N GLN 145.A O no hydrogen 3.024 N/A ARG 150.A N GLU 146.A O no hydrogen 3.017 N/A ARG 150.A NE GLU 146.A OE1 no hydrogen 3.505 N/A ARG 150.A NH1 SER 183.A OG no hydrogen 2.948 N/A ARG 150.A NH1 GLU 184.A OE2 no hydrogen 2.896 N/A ARG 150.A NH2 GLU 146.A OE1 no hydrogen 3.368 N/A ALA 151.A N LEU 147.A O no hydrogen 2.963 N/A ALA 152.A N VAL 148.A O no hydrogen 2.861 N/A ALA 153.A N LEU 149.A O no hydrogen 3.044 N/A ARG 154.A N ARG 150.A O no hydrogen 3.048 N/A ARG 154.A NE GLU 184.A OE1 no hydrogen 2.844 N/A ARG 154.A NH2 GLU 184.A OE1 no hydrogen 3.534 N/A ARG 154.A NH2 GLU 184.A OE2 no hydrogen 3.085 N/A ALA 155.A N ALA 151.A O no hydrogen 2.967 N/A SER 156.A N ALA 152.A O no hydrogen 2.933 N/A SER 156.A OG VAL 161.A O no hydrogen 2.623 N/A LEU 157.A N ALA 153.A O no hydrogen 2.941 N/A ALA 158.A N ARG 154.A O no hydrogen 3.274 N/A THR 159.A N SER 156.A O no hydrogen 3.351 N/A THR 159.A OG1 ALA 155.A O no hydrogen 2.673 N/A GLY 160.A N SER 156.A O no hydrogen 2.678 N/A VAL 161.A N THR 159.A OG1 no hydrogen 3.423 N/A VAL 163.A N ARG 190.A O no hydrogen 2.777 N/A THR 164.A N ILE 134.A O no hydrogen 2.753 N/A THR 165.A N CYS 192.A O no hydrogen 2.910 N/A THR 165.A OG1 GLN 177.A OE1 no hydrogen 2.902 N/A THR 165.A OG1 CYS 192.A O no hydrogen 3.503 N/A HIS 166.A N VAL 135.A O no hydrogen 2.967 N/A HIS 166.A ND1 HIS 195.A NE2 no hydrogen 3.003 N/A THR 167.A OG1 GLY 194.A O no hydrogen 2.701 N/A ALA 168.A N ASP 173.A OD2 no hydrogen 3.057 N/A GLN 171.A N ALA 168.A O no hydrogen 3.023 N/A ARG 172.A N ALA 169.A O no hydrogen 3.269 N/A GLY 174.A N TYR 204.A OH no hydrogen 3.033 N/A GLU 175.A N ARG 172.A O no hydrogen 3.174 N/A GLN 177.A N ASP 173.A O no hydrogen 3.052 N/A GLN 177.A NE2 THR 137.A OG1 no hydrogen 2.708 N/A GLN 177.A NE2 HIS 166.A O no hydrogen 3.126 N/A ALA 178.A N GLY 174.A O no hydrogen 2.869 N/A ALA 179.A N GLU 175.A O no hydrogen 3.089 N/A ILE 180.A N GLN 176.A O no hydrogen 3.167 N/A PHE 181.A N GLN 177.A O no hydrogen 2.943 N/A GLU 182.A N ALA 178.A O no hydrogen 3.009 N/A SER 183.A N ALA 179.A O no hydrogen 3.181 N/A SER 183.A OG ILE 180.A O no hydrogen 2.674 N/A GLU 184.A N PHE 181.A O no hydrogen 3.219 N/A GLY 185.A N GLU 182.A O no hydrogen 3.120 N/A LEU 186.A N PHE 181.A O no hydrogen 3.152 N/A SER 187.A OG SER 189.A OG no hydrogen 2.897 N/A SER 189.A OG SER 187.A OG no hydrogen 2.897 N/A ARG 190.A N SER 187.A O no hydrogen 3.029 N/A ARG 190.A NE GLY 160.A O no hydrogen 3.388 N/A ARG 190.A NH1 SER 189.A O no hydrogen 3.465 N/A ARG 190.A NH1 ARG 321.A O no hydrogen 3.557 N/A ARG 190.A NH1 PHE 322.A O no hydrogen 2.863 N/A ARG 190.A NH2 GLY 160.A O no hydrogen 2.777 N/A ARG 190.A NH2 PHE 322.A O no hydrogen 2.889 N/A VAL 191.A N PRO 188.A O no hydrogen 3.115 N/A CYS 192.A N VAL 163.A O no hydrogen 2.920 N/A CYS 192.A SG LEU 214.A O no hydrogen 3.890 N/A ILE 193.A N LEU 214.A O no hydrogen 2.924 N/A GLY 194.A N THR 165.A OG1 no hydrogen 3.279 N/A HIS 195.A N ASP 218.A OD2 no hydrogen 2.817 N/A HIS 195.A ND1 ASP 218.A OD1 no hydrogen 2.696 N/A SER 196.A N GLY 216.A O no hydrogen 2.948 N/A SER 196.A OG ILE 193.A O no hydrogen 2.808 N/A ASP 198.A N HIS 195.A O no hydrogen 3.151 N/A ASP 201.A N THR 199.A OG1 no hydrogen 3.165 N/A TYR 204.A N ASP 201.A O no hydrogen 3.286 N/A TYR 204.A N ASP 201.A OD1 no hydrogen 3.369 N/A LEU 205.A N ASP 201.A O no hydrogen 3.366 N/A THR 206.A N LEU 202.A O no hydrogen 2.963 N/A THR 206.A OG1 LEU 202.A O no hydrogen 2.920 N/A THR 206.A OG1 SER 203.A O no hydrogen 3.322 N/A ALA 207.A N SER 203.A O no hydrogen 3.371 N/A LEU 208.A N TYR 204.A O no hydrogen 3.408 N/A ALA 209.A N LEU 205.A O no hydrogen 3.049 N/A ALA 210.A N THR 206.A O no hydrogen 2.822 N/A ARG 211.A N LEU 208.A O no hydrogen 3.215 N/A ARG 211.A NH2 GLU 182.A OE2 no hydrogen 2.801 N/A GLY 212.A N ALA 209.A O no hydrogen 3.155 N/A TYR 213.A N LEU 208.A O no hydrogen 3.208 N/A TYR 213.A OH GLU 182.A OE2 no hydrogen 2.659 N/A LEU 214.A N VAL 191.A O no hydrogen 2.919 N/A ILE 215.A N GLN 260.A O no hydrogen 2.644 N/A GLY 216.A N ILE 193.A O no hydrogen 2.805 N/A LEU 217.A N LEU 262.A O no hydrogen 2.916 N/A GLY 219.A N ASP 197.A OD1 no hydrogen 3.127 N/A GLY 219.A N ASP 197.A OD2 no hydrogen 2.997 N/A TRP 222.A N GLY 219.A O no hydrogen 3.061 N/A TRP 222.A NE1 ASN 265.A O no hydrogen 2.934 N/A SER 223.A OG ARG 240.A O no hydrogen 3.178 N/A ALA 224.A N GLY 238.A O no hydrogen 2.833 N/A GLY 226.A N GLU 228.A OE1 no hydrogen 3.047 N/A ASN 230.A N LEU 227.A O no hydrogen 3.473 N/A SER 232.A OG ASN 230.A OD1 no hydrogen 2.787 N/A SER 234.A N ASN 230.A O no hydrogen 3.000 N/A SER 234.A OG ASN 230.A O no hydrogen 2.891 N/A ALA 235.A N ALA 231.A O no hydrogen 3.168 N/A LEU 237.A N ALA 233.A O no hydrogen 2.998 N/A GLY 238.A N SER 234.A O no hydrogen 3.162 N/A ARG 240.A NE ASP 200.A OD1 no hydrogen 3.439 N/A ARG 240.A NE ASP 200.A OD2 no hydrogen 2.878 N/A ARG 240.A NH1 ASP 197.A O no hydrogen 2.766 N/A ARG 240.A NH2 ASP 197.A O no hydrogen 2.904 N/A ARG 240.A NH2 ASP 200.A OD1 no hydrogen 3.089 N/A SER 241.A OG THR 244.A OG1 no hydrogen 2.805 N/A GLN 243.A N GLN 243.A OE1 no hydrogen 2.992 N/A THR 244.A N SER 241.A OG no hydrogen 3.366 N/A THR 244.A OG1 SER 241.A OG no hydrogen 2.805 N/A ARG 245.A N SER 241.A O no hydrogen 3.300 N/A ARG 245.A NE TRP 222.A O no hydrogen 2.803 N/A ARG 245.A NH1 ASP 197.A OD2 no hydrogen 2.814 N/A ARG 245.A NH1 ASP 198.A OD1 no hydrogen 2.770 N/A ARG 245.A NH2 ASP 198.A OD1 no hydrogen 3.338 N/A ARG 245.A NH2 LEU 237.A O no hydrogen 3.285 N/A ALA 246.A N TRP 242.A O no hydrogen 2.914 N/A LEU 247.A N GLN 243.A O no hydrogen 2.813 N/A ILE 249.A N ALA 246.A O no hydrogen 3.162 N/A LYS 250.A NZ ASP 254.A OD2 no hydrogen 2.800 N/A ALA 251.A N LEU 247.A O no hydrogen 2.940 N/A LEU 252.A N LEU 248.A O no hydrogen 3.118 N/A ILE 253.A N ILE 249.A O no hydrogen 3.172 N/A ASP 254.A N LYS 250.A O no hydrogen 2.884 N/A GLY 256.A N ILE 253.A O no hydrogen 2.822 N/A TYR 257.A N LEU 252.A O no hydrogen 2.874 N/A GLN 260.A N TYR 257.A O no hydrogen 3.051 N/A GLN 260.A NE2 TYR 213.A O no hydrogen 3.080 N/A LEU 262.A N ILE 215.A O no hydrogen 3.000 N/A SER 264.A N LEU 217.A O no hydrogen 3.410 N/A SER 264.A OG HIS 21.A O no hydrogen 2.951 N/A SER 264.A OG GLU 22.A OE2 no hydrogen 2.695 N/A ASN 265.A N GLU 22.A OE2 no hydrogen 2.793 N/A ASN 265.A ND2 GLU 22.A OE2 no hydrogen 2.943 N/A ASN 265.A ND2 MET 290.A O no hydrogen 3.124 N/A ASP 266.A N HIS 21.A O no hydrogen 3.129 N/A TRP 267.A N GLU 22.A OE1 no hydrogen 2.872 N/A THR 268.A OG1 ILE 24.A O no hydrogen 3.396 N/A THR 268.A OG1 GLY 270.A O no hydrogen 2.672 N/A PHE 269.A N ILE 24.A O no hydrogen 2.983 N/A SER 272.A N GLY 26.A O no hydrogen 2.860 N/A SER 272.A OG SER 27.A OG no hydrogen 2.758 N/A TYR 274.A OH SER 232.A O no hydrogen 2.749 N/A ASP 280.A N ASN 277.A O no hydrogen 3.236 N/A VAL 281.A N ASN 277.A O no hydrogen 3.408 N/A LEU 282.A N ILE 278.A O no hydrogen 2.898 N/A ASP 283.A N MET 279.A O no hydrogen 3.036 N/A ARG 284.A N VAL 281.A O no hydrogen 3.261 N/A VAL 285.A N VAL 281.A O no hydrogen 3.241 N/A ASN 286.A N LEU 282.A O no hydrogen 3.027 N/A ASN 286.A ND2 GLY 289.A O no hydrogen 3.015 N/A GLY 289.A N ASN 286.A O no hydrogen 3.332 N/A ALA 291.A N ASP 288.A O no hydrogen 3.073 N/A PHE 292.A N GLY 289.A O no hydrogen 3.237 N/A LEU 295.A N ALA 291.A O no hydrogen 3.172 N/A ARG 296.A N PHE 292.A O no hydrogen 2.960 N/A ARG 296.A NE ASP 288.A OD2 no hydrogen 3.157 N/A ARG 296.A NH2 ASP 288.A OD1 no hydrogen 3.114 N/A VAL 297.A N PHE 292.A O no hydrogen 3.263 N/A ILE 298.A N ILE 293.A O no hydrogen 3.021 N/A LEU 301.A N VAL 297.A O no hydrogen 3.071 N/A ARG 302.A N ILE 298.A O no hydrogen 3.172 N/A ARG 302.A NH2 VAL 306.A O no hydrogen 3.467 N/A GLU 303.A N PRO 299.A O no hydrogen 3.011 N/A LYS 304.A N PHE 300.A O no hydrogen 3.155 N/A GLY 305.A N ARG 302.A O no hydrogen 3.410 N/A VAL 306.A N LEU 301.A O no hydrogen 2.965 N/A ALA 312.A N GLN 308.A O no hydrogen 2.969 N/A GLY 313.A N GLU 309.A O no hydrogen 2.972 N/A ILE 314.A N THR 310.A O no hydrogen 2.970 N/A THR 315.A N LEU 311.A O no hydrogen 3.058 N/A THR 315.A OG1 LEU 311.A O no hydrogen 2.936 N/A VAL 316.A N ALA 312.A O no hydrogen 2.848 N/A ASN 318.A N GLY 313.A O no hydrogen 2.855 N/A ASN 318.A ND2 MET 258.A O no hydrogen 2.754 N/A ASN 318.A ND2 ILE 261.A O no hydrogen 2.961 N/A ALA 320.A N VAL 316.A O no hydrogen 3.310 N/A ARG 321.A N THR 317.A O no hydrogen 3.065 N/A ARG 321.A NH1 LYS 259.A O no hydrogen 2.533 N/A ARG 321.A NH2 ASN 318.A OD1 no hydrogen 3.011 N/A PHE 322.A N ASN 318.A O no hydrogen 3.005 N/A LEU 323.A N PRO 319.A O no hydrogen 2.801 N/A SER 324.A N ALA 320.A O no hydrogen 3.097 N/A THR 326.A N GLY 160.A O no hydrogen 3.354 N/A