Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8upq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A N ILE 179.A O no hydrogen 2.702 N/A TYR 6.A N ASP 9.A OD2 no hydrogen 3.182 N/A ASP 9.A N TYR 6.A O no hydrogen 3.251 N/A CYS 10.A N ASP 7.A O no hydrogen 3.275 N/A CYS 10.A SG TYR 6.A O no hydrogen 3.154 N/A CYS 10.A SG LEU 166.A O no hydrogen 3.621 N/A LEU 14.A N ASP 11.A O no hydrogen 3.385 N/A ILE 15.A N SER 167.A OG no hydrogen 2.655 N/A LYS 16.A N LEU 12.A O no hydrogen 3.258 N/A LYS 16.A NZ ASN 39.A O no hydrogen 3.383 N/A SER 17.A N ASN 13.A O no hydrogen 3.089 N/A SER 17.A N LEU 14.A O no hydrogen 3.088 N/A SER 17.A OG LEU 14.A O no hydrogen 2.780 N/A LYS 19.A N ASP 75.A OD2 no hydrogen 2.874 N/A VAL 20.A N ASN 42.A O no hydrogen 3.223 N/A ALA 21.A N VAL 76.A O no hydrogen 2.949 N/A ILE 22.A N THR 44.A O no hydrogen 2.801 N/A ILE 23.A N MET 78.A O no hydrogen 2.958 N/A GLY 24.A N GLY 46.A O no hydrogen 3.004 N/A SER 27.A N ASP 335.A OD2 no hydrogen 2.605 N/A GLN 28.A NE2 ALA 132.A O no hydrogen 3.049 N/A HIS 30.A N GLY 26.A O no hydrogen 2.909 N/A HIS 32.A N GLN 28.A O no hydrogen 2.909 N/A HIS 32.A ND1 TYR 168.A OH no hydrogen 3.091 N/A ALA 33.A N GLY 29.A O no hydrogen 2.986 N/A MET 34.A N HIS 30.A O no hydrogen 3.360 N/A ASN 35.A N ALA 31.A O no hydrogen 3.155 N/A ASN 35.A ND2 VAL 137.A O no hydrogen 2.816 N/A ASN 35.A ND2 ILE 172.A O no hydrogen 3.055 N/A LEU 36.A N HIS 32.A O no hydrogen 3.200 N/A ARG 37.A N ALA 33.A O no hydrogen 3.006 N/A ARG 37.A NH1 ALA 60.A O no hydrogen 2.693 N/A ARG 37.A NH2 ALA 60.A O no hydrogen 3.508 N/A ASP 38.A N MET 34.A O no hydrogen 2.800 N/A ASN 39.A N ASN 35.A O no hydrogen 3.293 N/A ASN 39.A ND2 ASN 35.A O no hydrogen 3.558 N/A ASN 39.A ND2 ALA 171.A O no hydrogen 2.522 N/A GLY 40.A N ARG 37.A O no hydrogen 2.912 N/A VAL 41.A N LEU 36.A O no hydrogen 2.833 N/A THR 44.A N VAL 20.A O no hydrogen 2.953 N/A ILE 45.A N GLU 63.A O no hydrogen 2.868 N/A GLY 46.A N ILE 22.A O no hydrogen 2.938 N/A LEU 47.A N MET 65.A O no hydrogen 3.210 N/A SER 51.A OG ARG 48.A O no hydrogen 3.216 N/A ALA 54.A N SER 51.A OG no hydrogen 3.334 N/A ALA 57.A N SER 53.A O no hydrogen 3.023 N/A ALA 57.A N ALA 54.A O no hydrogen 3.064 N/A LYS 58.A N ALA 54.A O no hydrogen 2.799 N/A ASN 59.A N VAL 55.A O no hydrogen 2.864 N/A GLY 61.A N LYS 58.A O no hydrogen 3.264 N/A PHE 62.A N ALA 57.A O no hydrogen 2.880 N/A MET 65.A N ILE 45.A O no hydrogen 3.243 N/A SER 68.A N SER 66.A OG no hydrogen 2.884 N/A SER 68.A OG ASN 97.A OD1 no hydrogen 2.428 N/A GLU 69.A N SER 66.A OG no hydrogen 3.377 N/A ALA 70.A N SER 66.A O no hydrogen 2.909 N/A SER 71.A N VAL 67.A O no hydrogen 3.079 N/A SER 71.A N SER 68.A O no hydrogen 3.250 N/A SER 71.A OG VAL 67.A O no hydrogen 2.884 N/A ILE 73.A N GLU 69.A O no hydrogen 3.323 N/A ASP 75.A N LYS 19.A O no hydrogen 2.599 N/A VAL 76.A N LYS 19.A O no hydrogen 3.400 N/A ILE 77.A N ALA 103.A O no hydrogen 2.750 N/A MET 78.A N ALA 21.A O no hydrogen 2.828 N/A ILE 79.A N ALA 105.A O no hydrogen 2.849 N/A LEU 80.A N ILE 23.A O no hydrogen 2.968 N/A GLU 84.A N GLU 84.A OE1 no hydrogen 2.530 N/A ILE 85.A N PRO 82.A O no hydrogen 3.084 N/A GLN 86.A N ASP 83.A O no hydrogen 3.406 N/A GLN 86.A NE2 ALA 81.A O no hydrogen 2.839 N/A ILE 89.A N ILE 85.A O no hydrogen 3.256 N/A PHE 90.A N GLN 86.A O no hydrogen 2.872 N/A ASN 91.A N ALA 87.A O no hydrogen 3.007 N/A GLU 93.A N ILE 89.A O no hydrogen 2.945 N/A ILE 94.A N ILE 89.A O no hydrogen 3.206 N/A ILE 94.A N PHE 90.A O no hydrogen 3.283 N/A LYS 95.A N PHE 90.A O no hydrogen 2.627 N/A ASN 97.A N ILE 94.A O no hydrogen 3.125 N/A LEU 98.A N LYS 95.A O no hydrogen 3.378 N/A SER 99.A OG LEU 98.A O no hydrogen 2.884 N/A GLY 101.A N GLY 122.A O no hydrogen 3.099 N/A LYS 102.A N SER 99.A O no hydrogen 3.346 N/A LYS 102.A NZ SER 71.A O no hydrogen 2.842 N/A LYS 102.A NZ LYS 72.A O no hydrogen 3.185 N/A LYS 102.A NZ ALA 74.A O no hydrogen 2.263 N/A ALA 103.A N ASP 75.A O no hydrogen 2.821 N/A ILE 104.A N ASP 124.A O no hydrogen 2.778 N/A ALA 105.A N ILE 77.A O no hydrogen 2.828 N/A PHE 106.A N ILE 126.A O no hydrogen 3.208 N/A HIS 108.A ND1 GLU 187.A OE1 no hydrogen 3.117 N/A GLY 109.A N GLU 187.A OE1 no hydrogen 3.237 N/A ASN 111.A ND2 ASP 83.A O no hydrogen 3.037 N/A HIS 113.A N GLY 109.A O no hydrogen 2.728 N/A TYR 114.A N PHE 110.A O no hydrogen 2.995 N/A TYR 114.A OH ILE 282.A O no hydrogen 2.471 N/A GLY 115.A N ILE 112.A O no hydrogen 3.147 N/A GLN 116.A NE2 TYR 114.A O no hydrogen 2.584 N/A ILE 117.A N ASN 111.A O no hydrogen 2.953 N/A GLY 122.A N GLU 157.A OE2 no hydrogen 2.447 N/A ASP 124.A N LYS 102.A O no hydrogen 2.972 N/A VAL 125.A N GLN 155.A O no hydrogen 3.011 N/A ILE 126.A N ILE 104.A O no hydrogen 2.882 N/A MET 127.A N ALA 152.A O no hydrogen 2.953 N/A ILE 128.A N PHE 106.A O no hydrogen 2.923 N/A ALA 129.A N LEU 150.A O no hydrogen 2.647 N/A LYS 131.A N PRO 148.A O no hydrogen 2.878 N/A THR 136.A N PRO 133.A O no hydrogen 3.066 N/A THR 136.A OG1 PRO 133.A O no hydrogen 2.833 N/A VAL 137.A N PRO 133.A O no hydrogen 3.107 N/A ARG 138.A N GLY 134.A O no hydrogen 3.389 N/A ARG 138.A N HIS 135.A O no hydrogen 3.215 N/A ARG 138.A NH1 ASN 35.A OD1 no hydrogen 2.942 N/A ARG 138.A NH1 ASP 38.A OD2 no hydrogen 3.031 N/A ARG 138.A NH2 ASP 38.A OD2 no hydrogen 3.415 N/A ASN 139.A N HIS 135.A O no hydrogen 2.913 N/A GLU 140.A N THR 136.A O no hydrogen 3.167 N/A THR 142.A N ARG 138.A O no hydrogen 3.175 N/A THR 142.A OG1 ARG 138.A O no hydrogen 3.505 N/A THR 142.A OG1 ASN 139.A O no hydrogen 2.983 N/A LEU 143.A N GLU 140.A O no hydrogen 3.390 N/A GLY 144.A N PHE 141.A O no hydrogen 3.376 N/A CYS 149.A N GLY 178.A O no hydrogen 3.109 N/A CYS 149.A SG THR 147.A O no hydrogen 3.688 N/A LEU 150.A N ALA 129.A O no hydrogen 2.803 N/A ILE 151.A N ILE 180.A O no hydrogen 3.098 N/A ALA 152.A N MET 127.A O no hydrogen 3.133 N/A HIS 154.A N VAL 125.A O no hydrogen 2.885 N/A GLN 155.A NE2 PRO 120.A O no hydrogen 3.057 N/A SER 158.A N ASP 124.A OD1 no hydrogen 2.774 N/A SER 158.A OG ASP 124.A OD1 no hydrogen 3.527 N/A SER 158.A OG ASP 124.A OD2 no hydrogen 2.743 N/A LYS 159.A N SER 158.A OG no hydrogen 2.493 N/A ASN 160.A N SER 158.A OG no hydrogen 3.340 N/A LYS 162.A NZ TYR 5.A OH no hydrogen 3.242 N/A LYS 162.A NZ GLU 181.A OE1 no hydrogen 2.981 N/A ASN 163.A ND2 ASN 160.A OD1 no hydrogen 2.320 N/A LEU 164.A N ASN 160.A O no hydrogen 2.870 N/A LEU 164.A N ALA 161.A O no hydrogen 3.036 N/A ALA 165.A N ALA 161.A O no hydrogen 3.110 N/A LEU 166.A N LYS 162.A O no hydrogen 3.206 N/A SER 167.A N ASN 163.A O no hydrogen 2.960 N/A SER 167.A OG ASP 11.A O no hydrogen 2.515 N/A TYR 168.A N LEU 164.A O no hydrogen 2.673 N/A TYR 168.A OH HIS 32.A ND1 no hydrogen 3.091 N/A ALA 169.A N ALA 165.A O no hydrogen 2.989 N/A SER 170.A N LEU 166.A O no hydrogen 3.079 N/A SER 170.A OG ASP 7.A OD1 no hydrogen 2.802 N/A ALA 171.A N SER 167.A O no hydrogen 3.269 N/A ALA 171.A N TYR 168.A O no hydrogen 3.042 N/A ILE 172.A N ALA 169.A O no hydrogen 3.280 N/A GLY 173.A N SER 170.A O no hydrogen 3.310 N/A GLY 174.A N ALA 169.A O no hydrogen 2.872 N/A ARG 176.A N GLY 173.A O no hydrogen 3.296 N/A ARG 176.A NE GLY 145.A O no hydrogen 3.295 N/A ARG 176.A NH1 ASP 7.A OD2 no hydrogen 3.367 N/A THR 177.A N GLY 174.A O no hydrogen 3.354 N/A THR 177.A OG1 GLY 146.A O no hydrogen 2.604 N/A GLY 178.A N GLY 174.A O no hydrogen 2.948 N/A ILE 179.A N TYR 5.A O no hydrogen 2.743 N/A ILE 180.A N CYS 149.A O no hydrogen 3.245 N/A THR 182.A N ILE 151.A O no hydrogen 2.789 N/A THR 182.A OG1 THR 183.A O no hydrogen 3.379 N/A THR 183.A N THR 182.A OG1 no hydrogen 2.450 N/A LYS 185.A NZ GLU 189.A OE1 no hydrogen 3.020 N/A ALA 186.A N THR 183.A OG1 no hydrogen 3.077 N/A GLU 187.A N THR 183.A O no hydrogen 2.837 N/A THR 188.A N PHE 184.A O no hydrogen 3.054 N/A THR 188.A OG1 PHE 184.A O no hydrogen 2.485 N/A GLU 189.A N LYS 185.A O no hydrogen 3.002 N/A THR 190.A N ALA 186.A O no hydrogen 3.034 N/A THR 190.A OG1 ALA 186.A O no hydrogen 2.698 N/A THR 190.A OG1 GLU 187.A O no hydrogen 3.375 N/A ASP 191.A N GLU 187.A O no hydrogen 2.882 N/A LEU 192.A N THR 188.A O no hydrogen 2.935 N/A PHE 193.A N GLU 189.A O no hydrogen 2.957 N/A GLY 194.A N THR 190.A O no hydrogen 2.871 N/A GLU 195.A N ASP 191.A O no hydrogen 3.212 N/A GLN 196.A N LEU 192.A O no hydrogen 3.249 N/A ALA 197.A N PHE 193.A O no hydrogen 2.913 N/A VAL 198.A N GLY 194.A O no hydrogen 2.998 N/A LEU 199.A N GLY 194.A O no hydrogen 2.756 N/A CYS 200.A N GLU 195.A O no hydrogen 2.775 N/A GLY 201.A N GLU 195.A O no hydrogen 2.919 N/A GLY 202.A N GLN 196.A O no hydrogen 2.979 N/A SER 204.A N CYS 200.A O no hydrogen 2.821 N/A SER 204.A OG CYS 200.A O no hydrogen 2.947 N/A ALA 205.A N GLY 201.A O no hydrogen 3.162 N/A LEU 206.A N GLY 202.A O no hydrogen 2.928 N/A ILE 207.A N LEU 203.A O no hydrogen 3.036 N/A GLN 208.A N SER 204.A O no hydrogen 3.025 N/A ALA 209.A N ALA 205.A O no hydrogen 2.907 N/A GLY 210.A N LEU 206.A O no hydrogen 3.093 N/A PHE 211.A N ILE 207.A O no hydrogen 2.879 N/A GLU 212.A N GLN 208.A O no hydrogen 2.797 N/A THR 213.A N ALA 209.A O no hydrogen 2.875 N/A THR 213.A OG1 ALA 209.A O no hydrogen 2.678 N/A LEU 214.A N GLY 210.A O no hydrogen 3.275 N/A VAL 215.A N PHE 211.A O no hydrogen 3.079 N/A GLU 216.A N GLU 212.A O no hydrogen 2.902 N/A ALA 217.A N THR 213.A O no hydrogen 3.131 N/A GLY 218.A N VAL 215.A O no hydrogen 3.028 N/A TYR 219.A N LEU 214.A O no hydrogen 2.944 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.686 N/A ALA 224.A N GLU 220.A O no hydrogen 3.011 N/A TYR 225.A N PRO 221.A O no hydrogen 2.786 N/A PHE 226.A N GLU 222.A O no hydrogen 3.050 N/A GLU 227.A N MET 223.A O no hydrogen 2.917 N/A CYS 228.A N ALA 224.A O no hydrogen 3.035 N/A LEU 229.A N TYR 225.A O no hydrogen 2.977 N/A HIS 230.A N TYR 225.A O no hydrogen 2.891 N/A GLU 231.A N PHE 226.A O no hydrogen 3.199 N/A MET 232.A N LEU 229.A O no hydrogen 3.104 N/A LYS 233.A NZ ASP 237.A OD1 no hydrogen 3.330 N/A LYS 233.A NZ ASP 237.A OD2 no hydrogen 2.720 N/A ILE 235.A N GLU 231.A O no hydrogen 3.200 N/A VAL 236.A N MET 232.A O no hydrogen 2.901 N/A ASP 237.A N LYS 233.A O no hydrogen 2.937 N/A LEU 238.A N ILE 235.A O no hydrogen 3.185 N/A ILE 239.A N ILE 235.A O no hydrogen 3.424 N/A TYR 240.A N VAL 236.A O no hydrogen 2.796 N/A TYR 240.A OH GLU 140.A OE1 no hydrogen 2.868 N/A GLN 241.A N ASP 237.A O no hydrogen 2.985 N/A GLY 242.A N LEU 238.A O no hydrogen 2.959 N/A GLY 243.A N ILE 239.A O no hydrogen 2.948 N/A MET 247.A N GLY 243.A O no hydrogen 3.148 N/A ARG 248.A N ILE 244.A O no hydrogen 3.105 N/A ARG 248.A NE ASP 259.A OD2 no hydrogen 2.881 N/A ARG 248.A NH2 ASP 259.A OD1 no hydrogen 2.940 N/A TYR 249.A N ALA 245.A O no hydrogen 2.967 N/A SER 250.A N MET 247.A O no hydrogen 2.884 N/A SER 250.A OG ASP 246.A O no hydrogen 2.881 N/A ALA 255.A N SER 252.A OG no hydrogen 2.884 N/A GLU 256.A N SER 252.A O no hydrogen 2.757 N/A TYR 257.A N ASN 253.A O no hydrogen 2.840 N/A GLY 258.A N THR 254.A O no hydrogen 3.144 N/A ASP 259.A N ALA 255.A O no hydrogen 2.813 N/A TYR 260.A N GLU 256.A O no hydrogen 3.153 N/A TYR 260.A OH GLU 256.A OE2 no hydrogen 2.486 N/A ILE 261.A N TYR 257.A O no hydrogen 3.144 N/A THR 262.A N GLY 258.A O no hydrogen 3.006 N/A THR 262.A OG1 GLY 258.A O no hydrogen 2.648 N/A GLY 263.A N ASP 259.A O no hydrogen 3.152 N/A LYS 265.A N THR 262.A O no hydrogen 2.890 N/A ILE 266.A N THR 262.A O no hydrogen 3.109 N/A ILE 266.A N GLY 263.A O no hydrogen 3.178 N/A ILE 267.A N GLY 263.A O no hydrogen 2.960 N/A THR 268.A N THR 271.A OG1 no hydrogen 3.081 N/A THR 268.A OG1 THR 271.A OG1 no hydrogen 3.332 N/A THR 271.A OG1 THR 268.A OG1 no hydrogen 3.332 N/A LYS 272.A N THR 268.A O no hydrogen 3.197 N/A LYS 273.A N GLU 269.A O no hydrogen 2.950 N/A ALA 274.A N GLU 270.A O no hydrogen 2.897 N/A MET 275.A N THR 271.A O no hydrogen 2.862 N/A LYS 276.A N LYS 272.A O no hydrogen 3.166 N/A GLY 277.A N LYS 273.A O no hydrogen 3.212 N/A VAL 278.A N ALA 274.A O no hydrogen 2.947 N/A LEU 279.A N MET 275.A O no hydrogen 2.915 N/A LYS 280.A N LYS 276.A O no hydrogen 2.680 N/A ASP 281.A N GLY 277.A O no hydrogen 2.970 N/A ILE 282.A N VAL 278.A O no hydrogen 3.165 N/A GLN 283.A N LEU 279.A O no hydrogen 3.018 N/A GLN 283.A N LYS 280.A O no hydrogen 2.976 N/A ASN 284.A N LYS 280.A O no hydrogen 3.088 N/A VAL 286.A N ASN 284.A OD1 no hydrogen 2.964 N/A PHE 287.A N ASP 281.A O no hydrogen 3.018 N/A LYS 289.A N GLY 285.A O no hydrogen 3.063 N/A ASP 290.A N VAL 286.A O no hydrogen 2.957 N/A PHE 291.A N PHE 287.A O no hydrogen 2.739 N/A ILE 292.A N ALA 288.A O no hydrogen 2.903 N/A LEU 293.A N LYS 289.A O no hydrogen 2.871 N/A GLU 294.A N ASP 290.A O no hydrogen 3.159 N/A ARG 295.A N PHE 291.A O no hydrogen 3.313 N/A ARG 295.A NH1 GLU 84.A O no hydrogen 2.734 N/A ARG 296.A N ILE 292.A O no hydrogen 3.144 N/A ALA 297.A N LEU 293.A O no hydrogen 2.792 N/A GLY 298.A N ARG 295.A O no hydrogen 3.048 N/A PHE 299.A N GLU 294.A O no hydrogen 2.738 N/A MET 302.A N GLU 294.A OE2 no hydrogen 2.909 N/A HIS 303.A N PHE 299.A O no hydrogen 2.782 N/A HIS 303.A ND1 PHE 299.A O no hydrogen 3.064 N/A ALA 304.A N ALA 300.A O no hydrogen 3.019 N/A GLU 305.A N ARG 301.A O no hydrogen 2.775 N/A ARG 306.A N MET 302.A O no hydrogen 2.989 N/A ARG 306.A NH1 LYS 338.A O no hydrogen 2.819 N/A ARG 306.A NH2 LYS 338.A O no hydrogen 3.059 N/A LYS 307.A N HIS 303.A O no hydrogen 3.199 N/A ASN 308.A N ALA 304.A O no hydrogen 2.943 N/A MET 309.A N GLU 305.A O no hydrogen 2.940 N/A ASN 310.A N ARG 306.A O no hydrogen 2.955 N/A ASP 311.A N LYS 307.A O no hydrogen 3.240 N/A ASP 311.A N ASN 308.A O no hydrogen 3.180 N/A SER 312.A N MET 309.A O no hydrogen 3.003 N/A SER 312.A OG MET 309.A O no hydrogen 2.692 N/A LYS 316.A N SER 312.A O no hydrogen 3.109 N/A THR 317.A N LEU 313.A O no hydrogen 2.923 N/A THR 317.A OG1 LEU 313.A O no hydrogen 2.616 N/A GLY 318.A N ILE 314.A O no hydrogen 2.975 N/A ARG 319.A N GLU 315.A O no hydrogen 2.832 N/A ARG 319.A NH1 ASN 310.A O no hydrogen 3.267 N/A ASN 320.A N LYS 316.A O no hydrogen 3.009 N/A LEU 321.A N THR 317.A O no hydrogen 3.011 N/A ARG 322.A N GLY 318.A O no hydrogen 2.811 N/A ALA 323.A N ARG 319.A O no hydrogen 3.023 N/A MET 324.A N LEU 321.A O no hydrogen 3.248 N/A MET 325.A N ARG 322.A O no hydrogen 2.986 N/A ILE 328.A N MET 325.A O no hydrogen 2.996 N/A ASP 337.A N ASP 335.A OD1 no hydrogen 3.049 N/A LYS 338.A N ASP 335.A O no hydrogen 3.040 N/A ASN 339.A ND2 ALA 336.A O no hydrogen 2.813 N/A LYS 341.A N ASN 339.A O no hydrogen 2.628 N/A