Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ixh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLN 4.A OE1 no hydrogen 2.728 N/A ASN 6.A N PRO 2.A O no hydrogen 3.188 N/A ASP 7.A N GLN 3.A O no hydrogen 3.059 N/A ILE 8.A N GLN 4.A O no hydrogen 3.352 N/A VAL 9.A N ILE 5.A O no hydrogen 2.815 N/A HIS 10.A N ASN 6.A O no hydrogen 3.120 N/A ARG 11.A N ASP 7.A O no hydrogen 3.035 N/A ARG 11.A NE ASP 7.A OD1 no hydrogen 2.699 N/A ARG 11.A NH2 ASP 7.A OD2 no hydrogen 3.483 N/A THR 12.A N ILE 8.A O no hydrogen 2.945 N/A THR 12.A OG1 ILE 8.A O no hydrogen 2.674 N/A ILE 13.A N VAL 9.A O no hydrogen 2.844 N/A THR 14.A N HIS 10.A O no hydrogen 3.491 N/A THR 14.A OG1 HIS 10.A O no hydrogen 3.295 N/A ILE 17.A N ILE 13.A O no hydrogen 3.044 N/A GLU 18.A N THR 14.A O no hydrogen 3.083 N/A GLN 19.A N PRO 15.A O no hydrogen 2.761 N/A GLN 20.A N LEU 16.A O no hydrogen 2.793 N/A ILE 22.A N ILE 17.A O no hydrogen 3.160 N/A MET 25.A N TRP 40.A O no hydrogen 2.984 N/A ALA 26.A N LEU 336.A O no hydrogen 2.850 N/A VAL 27.A N PHE 38.A O no hydrogen 2.914 N/A ALA 28.A N VAL 334.A O no hydrogen 3.159 N/A VAL 29.A N TYR 36.A O no hydrogen 2.856 N/A ILE 30.A N GLY 332.A O no hydrogen 2.661 N/A TYR 31.A N LYS 34.A O no hydrogen 2.913 N/A GLN 32.A N GLU 330.A O no hydrogen 3.036 N/A LYS 34.A N TYR 31.A O no hydrogen 3.169 N/A TYR 36.A N VAL 29.A O no hydrogen 2.886 N/A PHE 38.A N VAL 27.A O no hydrogen 2.911 N/A TRP 40.A N MET 25.A O no hydrogen 2.895 N/A TYR 42.A N PRO 23.A O no hydrogen 2.739 N/A ALA 43.A N GLN 49.A O no hydrogen 2.735 N/A ASP 44.A N GLN 49.A O no hydrogen 3.297 N/A ILE 45.A N TYR 200.A OH no hydrogen 3.032 N/A LYS 47.A N ASP 44.A OD1 no hydrogen 3.169 N/A LYS 48.A N ILE 45.A O no hydrogen 3.175 N/A GLN 49.A N ASP 44.A O no hydrogen 3.114 N/A VAL 51.A N GLY 41.A O no hydrogen 3.099 N/A THR 52.A N THR 55.A OG1 no hydrogen 2.889 N/A GLN 54.A N THR 52.A OG1 no hydrogen 2.998 N/A GLN 54.A NE2 GLU 225.A OE1 no hydrogen 3.386 N/A THR 55.A N THR 52.A O no hydrogen 3.078 N/A THR 55.A OG1 THR 52.A O no hydrogen 3.461 N/A LEU 56.A N ASN 195.A O no hydrogen 2.782 N/A PHE 57.A N SER 222.A O no hydrogen 2.858 N/A LEU 59.A N VAL 220.A O no hydrogen 2.838 N/A SER 61.A OG TYR 147.A OH no hydrogen 2.764 N/A VAL 62.A N LEU 59.A O no hydrogen 3.320 N/A SER 63.A N GLY 60.A O no hydrogen 2.735 N/A SER 63.A OG GLY 60.A O no hydrogen 2.620 N/A LYS 64.A N SER 61.A O no hydrogen 3.011 N/A LYS 64.A NZ SER 61.A OG no hydrogen 2.629 N/A LYS 64.A NZ TYR 147.A OH no hydrogen 3.129 N/A LYS 64.A NZ ASN 149.A OD1 no hydrogen 2.484 N/A LYS 64.A NZ ALA 217.A O no hydrogen 3.150 N/A THR 65.A N VAL 62.A O no hydrogen 3.118 N/A THR 65.A OG1 VAL 62.A O no hydrogen 2.835 N/A THR 67.A N SER 63.A O no hydrogen 3.194 N/A THR 67.A OG1 SER 63.A O no hydrogen 3.502 N/A THR 67.A OG1 GLU 216.A O no hydrogen 2.645 N/A GLY 68.A N LYS 64.A O no hydrogen 2.842 N/A VAL 69.A N THR 65.A O no hydrogen 2.971 N/A LEU 70.A N PHE 66.A O no hydrogen 2.795 N/A GLY 71.A N THR 67.A O no hydrogen 2.983 N/A GLY 72.A N GLY 68.A O no hydrogen 2.903 N/A ASP 73.A N VAL 69.A O no hydrogen 3.007 N/A ALA 74.A N LEU 70.A O no hydrogen 3.090 N/A ILE 75.A N GLY 71.A O no hydrogen 3.040 N/A ALA 76.A N GLY 72.A O no hydrogen 3.015 N/A ARG 77.A N ASP 73.A O no hydrogen 2.990 N/A ARG 77.A NE ASP 73.A OD1 no hydrogen 3.477 N/A ARG 77.A NE ASP 73.A OD2 no hydrogen 2.844 N/A GLY 78.A N ILE 75.A O no hydrogen 2.806 N/A GLU 79.A N ALA 74.A O no hydrogen 2.992 N/A LYS 81.A N ASP 84.A OD2 no hydrogen 3.067 N/A ASP 84.A N LYS 81.A O no hydrogen 3.034 N/A THR 86.A N ILE 101.A O no hydrogen 2.934 N/A THR 86.A OG1 ILE 101.A O no hydrogen 2.912 N/A THR 87.A OG1 LEU 93.A O no hydrogen 3.185 N/A LYS 88.A N PRO 85.A O no hydrogen 3.076 N/A TYR 89.A N THR 86.A O no hydrogen 2.937 N/A TYR 89.A OH ASP 84.A OD2 no hydrogen 2.469 N/A TRP 90.A N THR 86.A O no hydrogen 3.113 N/A LEU 93.A N TRP 90.A O no hydrogen 2.931 N/A ALA 95.A N GLN 133.A OE1 no hydrogen 2.970 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 2.906 N/A GLN 97.A NE2 GLN 133.A O no hydrogen 2.947 N/A GLN 97.A NE2 TRP 135.A O no hydrogen 2.486 N/A TRP 98.A N ALA 95.A O no hydrogen 3.149 N/A TRP 98.A NE1 TYR 132.A O no hydrogen 2.903 N/A ASN 99.A N LYS 96.A O no hydrogen 3.446 N/A ILE 101.A N TRP 98.A O no hydrogen 3.039 N/A THR 102.A N HIS 105.A ND1 no hydrogen 3.067 N/A THR 102.A OG1 LEU 82.A O no hydrogen 3.311 N/A LEU 103.A N ASP 84.A O no hydrogen 3.019 N/A LEU 104.A N LEU 82.A O no hydrogen 2.987 N/A HIS 105.A N THR 102.A OG1 no hydrogen 3.413 N/A LEU 106.A N THR 102.A O no hydrogen 3.195 N/A ALA 107.A N LEU 103.A O no hydrogen 2.966 N/A THR 108.A N LEU 104.A O no hydrogen 3.120 N/A THR 108.A N HIS 105.A O no hydrogen 3.357 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.781 N/A THR 108.A OG1 THR 110.A OG1 no hydrogen 2.948 N/A THR 110.A N HIS 105.A O no hydrogen 3.005 N/A THR 110.A OG1 HIS 105.A O no hydrogen 3.363 N/A THR 110.A OG1 THR 108.A OG1 no hydrogen 2.948 N/A VAL 122.A N PRO 119.A O no hydrogen 3.025 N/A LYS 123.A N ASP 127.A OD2 no hydrogen 3.235 N/A SER 124.A OG SER 126.A OG no hydrogen 3.352 N/A SER 126.A OG SER 124.A OG no hydrogen 3.352 N/A ASP 127.A N SER 124.A OG no hydrogen 3.096 N/A LEU 128.A N SER 124.A O no hydrogen 3.115 N/A LEU 129.A N SER 125.A O no hydrogen 3.268 N/A ARG 130.A N SER 126.A O no hydrogen 3.089 N/A PHE 131.A N ASP 127.A O no hydrogen 3.155 N/A TYR 132.A N LEU 128.A O no hydrogen 3.173 N/A TYR 132.A OH SER 150.A O no hydrogen 2.597 N/A GLN 133.A N LEU 129.A O no hydrogen 2.823 N/A GLN 133.A NE2 THR 94.A OG1 no hydrogen 3.114 N/A ASN 134.A N ARG 130.A O no hydrogen 2.940 N/A TRP 135.A NE1 GLY 113.A O no hydrogen 3.170 N/A ALA 138.A N GLY 112.A O no hydrogen 3.040 N/A TRP 139.A N GLY 112.A O no hydrogen 3.469 N/A GLY 142.A N THR 110.A O no hydrogen 2.977 N/A THR 143.A OG1 ALA 140.A O no hydrogen 2.684 N/A ARG 145.A N ARG 293.A O no hydrogen 2.777 N/A ARG 145.A NE GLN 264.A OE1 no hydrogen 2.742 N/A ARG 145.A NH2 GLN 264.A OE1 no hydrogen 2.847 N/A LEU 146.A N TYR 109.A O no hydrogen 2.957 N/A ASN 149.A N LEU 116.A O no hydrogen 2.926 N/A ASN 149.A ND2 GLN 117.A OE1 no hydrogen 2.941 N/A SER 150.A OG PRO 115.A O no hydrogen 2.846 N/A SER 151.A N ALA 148.A O no hydrogen 3.390 N/A SER 151.A OG LEU 106.A O no hydrogen 2.688 N/A GLY 153.A N ASN 149.A O no hydrogen 3.058 N/A PHE 155.A N SER 151.A O no hydrogen 3.163 N/A GLY 156.A N ILE 152.A O no hydrogen 2.865 N/A ALA 157.A N GLY 153.A O no hydrogen 3.045 N/A LEU 158.A N LEU 154.A O no hydrogen 2.951 N/A ALA 159.A N PHE 155.A O no hydrogen 2.842 N/A LYS 161.A N LEU 158.A O no hydrogen 2.975 N/A SER 163.A OG VAL 160.A O no hydrogen 2.574 N/A GLY 164.A N LYS 161.A O no hydrogen 3.104 N/A LEU 165.A N SER 163.A OG no hydrogen 3.163 N/A GLN 169.A N SER 166.A OG no hydrogen 3.147 N/A ALA 170.A N SER 166.A O no hydrogen 2.886 N/A MET 171.A N PHE 167.A O no hydrogen 2.874 N/A GLN 172.A N GLU 168.A O no hydrogen 2.820 N/A THR 173.A N GLN 169.A O no hydrogen 3.008 N/A THR 173.A OG1 GLN 169.A O no hydrogen 3.016 N/A ARG 174.A N ALA 170.A O no hydrogen 2.915 N/A ARG 174.A NH1 GLU 79.A OE1 no hydrogen 2.877 N/A ARG 174.A NH1 GLU 79.A OE2 no hydrogen 3.533 N/A ARG 174.A NH2 GLU 79.A OE2 no hydrogen 2.828 N/A VAL 175.A N MET 171.A O no hydrogen 3.177 N/A PHE 176.A N MET 171.A O no hydrogen 3.104 N/A GLN 177.A N GLN 172.A O no hydrogen 2.899 N/A LEU 179.A N VAL 175.A O no hydrogen 3.264 N/A LEU 179.A N PHE 176.A O no hydrogen 3.179 N/A LYS 180.A N GLN 177.A O no hydrogen 2.940 N/A LEU 181.A N PHE 176.A O no hydrogen 2.852 N/A ASN 182.A N LYS 180.A O no hydrogen 2.975 N/A HIS 183.A N ASP 226.A OD2 no hydrogen 2.742 N/A HIS 183.A ND1 GLU 192.A OE2 no hydrogen 2.832 N/A THR 184.A OG1 SER 222.A OG no hydrogen 2.713 N/A THR 184.A OG1 ASP 226.A OD2 no hydrogen 2.725 N/A TRP 185.A N LYS 221.A O no hydrogen 2.867 N/A TRP 185.A NE1 GLU 192.A OE2 no hydrogen 2.997 N/A ASN 187.A ND2 GLU 168.A OE1 no hydrogen 3.273 N/A GLU 192.A N PRO 189.A O no hydrogen 2.874 N/A GLU 193.A N PRO 190.A O no hydrogen 3.306 N/A LYS 194.A NZ ALA 191.A O no hydrogen 3.473 N/A ASN 195.A N GLU 192.A O no hydrogen 2.751 N/A ASN 195.A ND2 GLU 192.A OE1 no hydrogen 2.876 N/A TYR 196.A N GLU 193.A O no hydrogen 2.847 N/A TYR 196.A OH GLU 58.A OE2 no hydrogen 2.502 N/A ALA 197.A N LEU 56.A O no hydrogen 3.178 N/A TRP 198.A N ALA 43.A O no hydrogen 3.030 N/A GLY 199.A N VAL 206.A O no hydrogen 3.170 N/A TYR 200.A N GLY 318.A O no hydrogen 3.158 N/A TYR 200.A N ASN 338.A O no hydrogen 3.154 N/A ARG 201.A N LYS 204.A O no hydrogen 2.967 N/A LYS 204.A N ARG 201.A O no hydrogen 2.763 N/A VAL 206.A N GLY 199.A O no hydrogen 3.012 N/A HIS 207.A NE2 ALA 197.A O no hydrogen 2.674 N/A VAL 208.A N GLU 58.A OE2 no hydrogen 3.111 N/A GLY 211.A N ASP 214.A OD2 no hydrogen 2.566 N/A ASP 214.A N GLY 211.A O no hydrogen 3.295 N/A GLU 216.A N GLU 216.A OE1 no hydrogen 2.722 N/A ALA 217.A N LEU 213.A O no hydrogen 3.064 N/A ALA 217.A N ASP 214.A O no hydrogen 3.216 N/A GLY 218.A N ASP 214.A O no hydrogen 2.654 N/A VAL 220.A N SER 63.A OG no hydrogen 2.945 N/A LYS 221.A N TRP 185.A O no hydrogen 2.893 N/A LYS 221.A NZ ILE 186.A O no hydrogen 2.746 N/A LYS 221.A NZ GLY 219.A O no hydrogen 2.952 N/A SER 222.A N PHE 57.A O no hydrogen 3.039 N/A SER 222.A OG THR 184.A OG1 no hydrogen 2.713 N/A ASP 226.A N THR 223.A OG1 no hydrogen 3.125 N/A MET 227.A N THR 223.A O no hydrogen 3.067 N/A ALA 228.A N ILE 224.A O no hydrogen 3.055 N/A ARG 229.A N GLU 225.A O no hydrogen 3.233 N/A TRP 230.A N ASP 226.A O no hydrogen 2.821 N/A TRP 230.A NE1 THR 65.A OG1 no hydrogen 3.167 N/A VAL 231.A N MET 227.A O no hydrogen 2.925 N/A GLN 232.A N ALA 228.A O no hydrogen 2.748 N/A SER 233.A N ARG 229.A O no hydrogen 2.901 N/A SER 233.A OG ARG 229.A O no hydrogen 2.871 N/A ASN 234.A N TRP 230.A O no hydrogen 3.013 N/A ASN 234.A ND2 TRP 230.A O no hydrogen 2.821 N/A LEU 235.A N VAL 231.A O no hydrogen 2.873 N/A LEU 235.A N GLN 232.A O no hydrogen 3.047 N/A LYS 236.A N GLN 232.A O no hydrogen 3.083 N/A ASP 239.A N LYS 236.A O no hydrogen 3.302 N/A ILE 240.A N PRO 237.A O no hydrogen 3.119 N/A GLU 242.A N GLU 242.A OE1 no hydrogen 2.427 N/A THR 244.A OG1 ASP 73.A OD1 no hydrogen 2.556 N/A GLN 246.A N GLU 242.A O no hydrogen 3.149 N/A GLN 246.A NE2 ILE 240.A O no hydrogen 2.872 N/A GLN 247.A N LYS 243.A O no hydrogen 3.113 N/A GLY 248.A N THR 244.A O no hydrogen 2.674 N/A ILE 249.A N LEU 245.A O no hydrogen 3.004 N/A GLN 250.A N GLN 246.A O no hydrogen 3.367 N/A LEU 251.A N GLN 247.A O no hydrogen 2.827 N/A ALA 252.A N GLY 248.A O no hydrogen 2.944 N/A GLN 253.A N ILE 249.A O no hydrogen 3.163 N/A GLN 253.A N GLN 250.A O no hydrogen 3.149 N/A GLN 253.A NE2 ASN 234.A O no hydrogen 2.969 N/A GLN 253.A NE2 ASN 234.A OD1 no hydrogen 3.638 N/A SER 254.A N LEU 251.A O no hydrogen 3.219 N/A SER 254.A OG GLN 250.A O no hydrogen 3.286 N/A ARG 255.A N THR 302.A O no hydrogen 2.896 N/A ARG 255.A NH1 ASP 272.A OD1 no hydrogen 2.851 N/A ARG 255.A NH2 ASP 272.A OD1 no hydrogen 3.205 N/A ARG 255.A NH2 SER 308.A OG no hydrogen 3.141 N/A TYR 256.A N GLN 264.A O no hydrogen 3.051 N/A TYR 256.A OH LEU 251.A O no hydrogen 2.781 N/A TRP 257.A NE1 THR 108.A OG1 no hydrogen 2.853 N/A GLN 258.A N LYS 296.A O no hydrogen 2.984 N/A GLN 258.A NE2 GLY 260.A O no hydrogen 2.793 N/A THR 259.A N MET 262.A O no hydrogen 2.955 N/A MET 262.A N THR 259.A O no hydrogen 2.943 N/A TYR 263.A N MET 270.A O no hydrogen 2.819 N/A TYR 263.A OH ASP 272.A OD2 no hydrogen 3.199 N/A GLN 264.A N TRP 257.A O no hydrogen 2.963 N/A GLN 264.A NE2 GLY 265.A O no hydrogen 2.945 N/A GLY 265.A N TRP 268.A O no hydrogen 2.837 N/A LEU 266.A N ALA 252.A O no hydrogen 2.933 N/A TRP 268.A NE1 ASN 234.A OD1 no hydrogen 3.034 N/A GLU 269.A N HIS 311.A O no hydrogen 3.160 N/A MET 270.A N TYR 263.A O no hydrogen 2.946 N/A LEU 271.A N TRP 309.A O no hydrogen 3.000 N/A TRP 273.A N ALA 307.A O no hydrogen 2.873 N/A ASP 278.A N ASN 276.A OD1 no hydrogen 3.148 N/A SER 279.A N ASN 276.A O no hydrogen 2.574 N/A ILE 280.A N ASN 276.A O no hydrogen 3.417 N/A ILE 281.A N PRO 277.A O no hydrogen 2.714 N/A ASN 282.A N ASP 278.A O no hydrogen 3.449 N/A ASN 282.A ND2 ASP 278.A O no hydrogen 3.403 N/A GLY 283.A N ILE 280.A O no hydrogen 2.629 N/A ASN 286.A N ASP 285.A OD2 no hydrogen 2.748 N/A LYS 287.A NZ LYS 287.A O no hydrogen 2.774 N/A ILE 288.A N ASP 285.A O no hydrogen 3.118 N/A ALA 289.A N ASP 285.A O no hydrogen 3.163 N/A ARG 293.A N ARG 145.A O no hydrogen 3.072 N/A VAL 295.A N THR 143.A O no hydrogen 3.020 N/A LYS 296.A N GLN 258.A O no hydrogen 2.979 N/A ILE 298.A N TYR 256.A O no hydrogen 3.025 N/A THR 302.A N ARG 255.A O no hydrogen 3.371 N/A SER 308.A OG VAL 305.A O no hydrogen 2.088 N/A TRP 309.A N LEU 271.A O no hydrogen 2.786 N/A TRP 309.A NE1 HIS 311.A ND1 no hydrogen 3.277 N/A VAL 310.A N PHE 325.A O no hydrogen 2.870 N/A HIS 311.A N GLU 269.A O no hydrogen 2.887 N/A HIS 311.A ND1 TYR 322.A OH no hydrogen 2.734 N/A LYS 312.A N VAL 323.A O no hydrogen 3.115 N/A LYS 312.A NZ TYR 147.A OH no hydrogen 2.857 N/A LYS 312.A NZ THR 313.A O no hydrogen 2.945 N/A GLY 314.A N SER 321.A O no hydrogen 3.096 N/A THR 316.A N PHE 319.A O no hydrogen 3.152 N/A THR 316.A OG1 GLU 58.A OE1 no hydrogen 2.686 N/A PHE 319.A N THR 316.A O no hydrogen 3.389 N/A GLY 320.A N ALA 337.A O no hydrogen 3.006 N/A SER 321.A N GLY 314.A O no hydrogen 2.804 N/A SER 321.A OG GLU 58.A O no hydrogen 3.281 N/A TYR 322.A N MET 335.A O no hydrogen 2.866 N/A TYR 322.A OH HIS 311.A ND1 no hydrogen 2.734 N/A VAL 323.A N LYS 312.A O no hydrogen 3.141 N/A ALA 324.A N ILE 333.A O no hydrogen 3.025 N/A PHE 325.A N VAL 310.A O no hydrogen 2.811 N/A ILE 326.A N LEU 331.A O no hydrogen 2.854 N/A GLU 328.A N ARG 306.A O no hydrogen 2.973 N/A LYS 329.A N ILE 326.A O no hydrogen 2.976 N/A GLU 330.A N PRO 327.A O no hydrogen 3.259 N/A GLY 332.A N ILE 30.A O no hydrogen 3.024 N/A ILE 333.A N ALA 324.A O no hydrogen 2.808 N/A VAL 334.A N ALA 28.A O no hydrogen 3.010 N/A MET 335.A N TYR 322.A O no hydrogen 2.830 N/A LEU 336.A N ALA 26.A O no hydrogen 2.939 N/A ALA 337.A N GLY 320.A O no hydrogen 3.082 N/A ASN 338.A N GLY 24.A O no hydrogen 3.135 N/A ASN 338.A ND2 TYR 42.A O no hydrogen 3.178 N/A ASN 338.A ND2 ALA 43.A O no hydrogen 3.614 N/A ASN 338.A ND2 TRP 198.A O no hydrogen 2.890 N/A LYS 339.A NZ GLN 20.A O no hydrogen 2.697 N/A ASN 343.A ND2 SER 284.A O no hydrogen 3.264 N/A ARG 346.A N PRO 342.A O no hydrogen 3.386 N/A ARG 346.A NE TYR 341.A O no hydrogen 2.824 N/A ARG 346.A NH1 GLY 314.A O no hydrogen 2.753 N/A ARG 346.A NH1 SER 321.A O no hydrogen 2.851 N/A ARG 346.A NH2 TYR 341.A O no hydrogen 2.915 N/A VAL 347.A N ASN 343.A O no hydrogen 3.061 N/A ASP 348.A N PRO 344.A O no hydrogen 2.763 N/A ALA 349.A N ALA 345.A O no hydrogen 3.104 N/A ALA 350.A N ARG 346.A O no hydrogen 3.004 N/A TRP 351.A N VAL 347.A O no hydrogen 2.774 N/A GLN 352.A N ASP 348.A O no hydrogen 2.925 N/A ILE 353.A N ALA 349.A O no hydrogen 3.249 N/A LEU 354.A N ALA 350.A O no hydrogen 3.088 N/A ASN 355.A N TRP 351.A O no hydrogen 3.019 N/A ALA 356.A N GLN 352.A O no hydrogen 3.361 N/A LEU 357.A N ILE 353.A O no hydrogen 3.257 N/A LEU 357.A N LEU 354.A O no hydrogen 3.244 N/A GLN 358.A N LEU 354.A O no hydrogen 2.981 N/A GLN 358.A NE2 ASN 355.A O no hydrogen 2.686 N/A GLN 358.A NE2 ASN 355.A OD1 no hydrogen 3.301 N/A