Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qxq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 6.A NE1 ASP 47.A OD2 no hydrogen 2.958 N/A GLU 7.A N TRP 3.A O no hydrogen 2.864 N/A GLN 8.A N PRO 4.A O no hydrogen 2.955 N/A GLN 8.A NE2 ASP 12.A OD2 no hydrogen 3.136 N/A PHE 9.A N ALA 5.A O no hydrogen 3.049 N/A LYS 10.A N TRP 6.A O no hydrogen 2.962 N/A LYS 10.A NZ GLU 7.A OE1 no hydrogen 3.256 N/A LYS 10.A NZ GLU 7.A OE2 no hydrogen 3.400 N/A LYS 10.A NZ ASP 47.A OD2 no hydrogen 2.843 N/A LYS 11.A N GLU 7.A O no hydrogen 3.281 N/A LYS 11.A NZ GLN 8.A OE1 no hydrogen 2.875 N/A ASP 12.A N GLN 8.A O no hydrogen 3.117 N/A TYR 13.A N PHE 9.A O no hydrogen 2.865 N/A TYR 13.A OH GLY 305.A O no hydrogen 2.694 N/A ILE 14.A N LYS 10.A O no hydrogen 3.026 N/A SER 15.A N ARG 19.A O no hydrogen 2.976 N/A GLY 18.A N SER 15.A O no hydrogen 2.973 N/A ARG 19.A N SER 15.A OG no hydrogen 2.984 N/A ARG 19.A NH1 LYS 28.A O no hydrogen 3.005 N/A ARG 19.A NH1 THR 30.A OG1 no hydrogen 2.423 N/A ARG 19.A NH2 LYS 28.A O no hydrogen 2.879 N/A VAL 20.A N GLN 35.A OE1 no hydrogen 2.703 N/A ILE 21.A N TYR 13.A O no hydrogen 2.730 N/A ASP 22.A N ILE 29.A O no hydrogen 2.921 N/A SER 24.A N ASP 22.A OD1 no hydrogen 2.939 N/A ARG 27.A N ASP 25.A OD2 no hydrogen 2.853 N/A ARG 27.A NH1 ASP 25.A OD1 no hydrogen 2.701 N/A ARG 27.A NH1 ASP 25.A OD2 no hydrogen 3.363 N/A LYS 28.A N ASP 25.A O no hydrogen 2.738 N/A LYS 28.A NZ PRO 23.A O no hydrogen 2.869 N/A THR 30.A N TRP 76.A O no hydrogen 2.803 N/A THR 30.A OG1 VAL 20.A O no hydrogen 2.843 N/A SER 32.A N TRP 74.A O no hydrogen 2.994 N/A GLY 34.A N THR 31.A OG1 no hydrogen 2.953 N/A GLN 35.A N THR 31.A O no hydrogen 3.049 N/A GLN 35.A NE2 GLY 18.A O no hydrogen 3.219 N/A GLN 35.A NE2 ILE 54.A O no hydrogen 3.414 N/A GLN 35.A NE2 THR 58.A OG1 no hydrogen 3.039 N/A SER 36.A N SER 32.A O no hydrogen 3.048 N/A SER 36.A OG SER 32.A O no hydrogen 3.493 N/A SER 36.A OG GLN 33.A O no hydrogen 2.781 N/A TYR 37.A N GLN 33.A O no hydrogen 2.896 N/A GLY 38.A N GLY 34.A O no hydrogen 3.023 N/A MET 39.A N GLN 35.A O no hydrogen 2.927 N/A PHE 40.A N SER 36.A O no hydrogen 2.810 N/A SER 41.A N TYR 37.A O no hydrogen 2.931 N/A SER 41.A OG TYR 37.A O no hydrogen 2.817 N/A ALA 42.A N GLY 38.A O no hydrogen 2.894 N/A LEU 43.A N MET 39.A O no hydrogen 2.925 N/A ALA 44.A N PHE 40.A O no hydrogen 2.899 N/A ALA 45.A N SER 41.A O no hydrogen 2.890 N/A ASN 46.A N LEU 43.A O no hydrogen 2.995 N/A ASP 47.A N ALA 42.A O no hydrogen 2.822 N/A ARG 48.A NE TYR 115.A OH no hydrogen 3.043 N/A ARG 48.A NH2 GLU 112.A OE1 no hydrogen 3.484 N/A ALA 50.A N ASP 47.A OD1 no hydrogen 3.364 N/A PHE 51.A N ASP 47.A O no hydrogen 3.040 N/A ASP 52.A N ARG 48.A O no hydrogen 2.844 N/A ASN 53.A N ALA 49.A O no hydrogen 3.051 N/A ILE 54.A N ALA 50.A O no hydrogen 2.842 N/A LEU 55.A N PHE 51.A O no hydrogen 2.823 N/A ASP 56.A N ASP 52.A O no hydrogen 2.932 N/A TRP 57.A N ASN 53.A O no hydrogen 3.186 N/A THR 58.A N ILE 54.A O no hydrogen 3.049 N/A THR 58.A OG1 ILE 54.A O no hydrogen 2.738 N/A GLN 59.A N LEU 55.A O no hydrogen 2.906 N/A ASN 60.A N ASP 56.A O no hydrogen 2.954 N/A ASN 61.A N TRP 57.A O no hydrogen 2.802 N/A ASN 61.A ND2 TRP 57.A O no hydrogen 3.102 N/A LEU 62.A N THR 58.A O no hydrogen 2.836 N/A GLY 65.A N GLN 59.A O no hydrogen 2.625 N/A SER 66.A N ALA 63.A O no hydrogen 2.930 N/A LYS 68.A N SER 66.A OG no hydrogen 3.196 N/A GLU 69.A N SER 66.A O no hydrogen 3.038 N/A ARG 70.A NH1 ALA 63.A O no hydrogen 3.095 N/A ARG 70.A NH1 GLU 69.A OE1 no hydrogen 3.059 N/A ALA 73.A N LEU 62.A O no hydrogen 2.758 N/A TRP 74.A N ASN 90.A O no hydrogen 2.939 N/A TRP 74.A NE1 ASP 88.A OD2 no hydrogen 3.048 N/A TRP 76.A N THR 30.A O no hydrogen 2.940 N/A GLY 77.A N GLU 85.A O no hydrogen 3.007 N/A LYS 78.A N ARG 27.A O no hydrogen 3.119 N/A LYS 79.A N LYS 83.A O no hydrogen 2.851 N/A LYS 79.A NZ GLU 85.A OE1 no hydrogen 2.288 N/A SER 82.A N LYS 79.A O no hydrogen 3.117 N/A SER 82.A OG ASN 81.A O no hydrogen 2.433 N/A LYS 83.A N ASN 81.A OD1 no hydrogen 2.880 N/A GLU 85.A N GLY 77.A O no hydrogen 2.997 N/A LEU 87.A N LEU 75.A O no hydrogen 2.764 N/A ASP 88.A N LEU 75.A O no hydrogen 3.406 N/A ASN 90.A N ASP 88.A OD1 no hydrogen 2.991 N/A ASN 90.A ND2 VAL 146.A O no hydrogen 2.927 N/A SER 91.A OG GLU 130.A OE1 no hydrogen 2.876 N/A SER 93.A N PRO 143.A O no hydrogen 2.962 N/A SER 93.A OG LEU 142.A O no hydrogen 2.715 N/A GLY 95.A N ASP 94.A OD1 no hydrogen 2.776 N/A ASP 96.A N ALA 92.A O no hydrogen 3.292 N/A VAL 97.A N SER 93.A O no hydrogen 2.995 N/A TRP 98.A N ASP 94.A O no hydrogen 3.225 N/A MET 99.A N GLY 95.A O no hydrogen 2.856 N/A ALA 100.A N ASP 96.A O no hydrogen 2.932 N/A TRP 101.A N VAL 97.A O no hydrogen 2.847 N/A TRP 101.A NE1 GLY 332.A O no hydrogen 3.042 N/A SER 102.A N TRP 98.A O no hydrogen 2.911 N/A SER 102.A OG TRP 98.A O no hydrogen 2.862 N/A LEU 103.A N MET 99.A O no hydrogen 3.042 N/A LEU 104.A N ALA 100.A O no hydrogen 2.888 N/A GLU 105.A N TRP 101.A O no hydrogen 2.856 N/A ALA 106.A N SER 102.A O no hydrogen 2.699 N/A GLY 107.A N LEU 103.A O no hydrogen 2.873 N/A ARG 108.A N LEU 104.A O no hydrogen 3.066 N/A ARG 108.A NE GLU 105.A OE2 no hydrogen 2.867 N/A ARG 108.A NH2 GLU 105.A OE1 no hydrogen 2.737 N/A ARG 108.A NH2 LEU 334.A O no hydrogen 3.386 N/A LEU 109.A N GLU 105.A O no hydrogen 2.839 N/A TRP 110.A N ALA 106.A O no hydrogen 2.928 N/A TRP 110.A NE1 ASN 46.A OD1 no hydrogen 2.918 N/A LYS 111.A N ARG 108.A O no hydrogen 3.373 N/A GLU 112.A N GLY 107.A O no hydrogen 2.920 N/A GLN 113.A NE2 ASP 117.A OD1 no hydrogen 2.688 N/A ARG 114.A N GLU 112.A OE2 no hydrogen 3.199 N/A TYR 115.A N GLU 112.A O no hydrogen 3.289 N/A TYR 115.A OH ASP 52.A OD1 no hydrogen 2.228 N/A ASP 117.A N GLN 113.A O no hydrogen 2.894 N/A ILE 118.A N ARG 114.A O no hydrogen 3.093 N/A GLY 119.A N TYR 115.A O no hydrogen 2.874 N/A SER 120.A N THR 116.A O no hydrogen 2.806 N/A SER 120.A OG THR 116.A O no hydrogen 2.815 N/A ALA 121.A N ASP 117.A O no hydrogen 3.202 N/A LEU 122.A N ILE 118.A O no hydrogen 2.999 N/A LEU 123.A N GLY 119.A O no hydrogen 2.968 N/A LYS 124.A N SER 120.A O no hydrogen 2.956 N/A ARG 125.A N ALA 121.A O no hydrogen 3.039 N/A ARG 125.A NH1 GLU 129.A OE2 no hydrogen 2.902 N/A ARG 125.A NH2 LYS 68.A O no hydrogen 2.795 N/A ILE 126.A N LEU 122.A O no hydrogen 2.913 N/A ALA 127.A N LEU 123.A O no hydrogen 3.057 N/A ARG 128.A N LYS 124.A O no hydrogen 3.018 N/A GLU 129.A N ARG 125.A O no hydrogen 2.807 N/A GLU 130.A N ILE 126.A O no hydrogen 2.943 N/A VAL 132.A N MET 140.A O no hydrogen 3.058 N/A VAL 134.A N GLY 138.A O no hydrogen 2.809 N/A LEU 137.A N VAL 134.A O no hydrogen 2.931 N/A GLY 138.A N VAL 134.A O no hydrogen 2.766 N/A MET 140.A N VAL 132.A O no hydrogen 2.826 N/A LEU 142.A N GLU 130.A O no hydrogen 2.892 N/A LYS 145.A N SER 91.A OG no hydrogen 3.151 N/A LYS 145.A NZ GLU 129.A OE1 no hydrogen 2.707 N/A VAL 146.A N ASN 90.A OD1 no hydrogen 3.158 N/A GLU 150.A N SER 153.A O no hydrogen 2.802 N/A TRP 154.A N TYR 202.A O no hydrogen 2.893 N/A ARG 155.A N PHE 148.A O no hydrogen 3.033 N/A PHE 156.A N VAL 200.A O no hydrogen 2.833 N/A ASN 157.A ND2 ASP 221.A OD1 no hydrogen 2.821 N/A SER 159.A N ASN 157.A OD1 no hydrogen 3.186 N/A SER 159.A OG ASN 157.A OD1 no hydrogen 2.706 N/A TYR 160.A N ASN 157.A O no hydrogen 2.978 N/A ALA 166.A N PRO 162.A O no hydrogen 2.941 N/A GLN 167.A N PRO 163.A O no hydrogen 2.928 N/A TYR 168.A N THR 164.A O no hydrogen 2.979 N/A TYR 168.A OH GLU 105.A OE2 no hydrogen 2.741 N/A PHE 169.A N LEU 165.A O no hydrogen 2.906 N/A THR 170.A N GLN 167.A O no hydrogen 3.182 N/A THR 170.A OG1 GLN 167.A O no hydrogen 2.724 N/A THR 170.A OG1 GLN 167.A OE1 no hydrogen 3.444 N/A ARG 171.A N TYR 168.A O no hydrogen 3.356 N/A ARG 171.A NE TYR 168.A O no hydrogen 2.938 N/A ARG 171.A NH1 GLU 333.A OE2 no hydrogen 3.041 N/A ARG 171.A NH2 LYS 331.A O no hydrogen 3.196 N/A ARG 171.A NH2 GLU 333.A OE2 no hydrogen 2.950 N/A PHE 172.A N PHE 169.A O no hydrogen 2.984 N/A GLY 173.A N THR 170.A O no hydrogen 2.963 N/A THR 177.A N GLY 173.A O no hydrogen 3.250 N/A LEU 179.A N PRO 175.A O no hydrogen 2.902 N/A ARG 180.A N TRP 176.A O no hydrogen 3.073 N/A ARG 180.A NH1 ASP 236.A OD1 no hydrogen 2.721 N/A ARG 180.A NH1 ASP 236.A OD2 no hydrogen 3.290 N/A ARG 180.A NH2 PRO 163.A O no hydrogen 3.026 N/A ARG 180.A NH2 ASP 236.A OD2 no hydrogen 3.371 N/A GLU 181.A N THR 178.A O no hydrogen 2.839 N/A THR 182.A N THR 178.A O no hydrogen 2.903 N/A THR 182.A OG1 SER 139.A O no hydrogen 2.700 N/A THR 182.A OG1 LEU 179.A O no hydrogen 3.361 N/A ASN 183.A N LEU 179.A O no hydrogen 2.662 N/A ASN 183.A ND2 LEU 161.A O no hydrogen 2.913 N/A ARG 185.A N GLU 181.A O no hydrogen 3.266 N/A ARG 185.A NH1 GLU 189.A OE1 no hydrogen 2.832 N/A ARG 185.A NH1 GLU 189.A OE2 no hydrogen 3.262 N/A ARG 185.A NH2 GLY 136.A O no hydrogen 2.598 N/A LEU 186.A N THR 182.A O no hydrogen 2.906 N/A LEU 187.A N ASN 183.A O no hydrogen 3.019 N/A LEU 188.A N GLN 184.A O no hydrogen 2.868 N/A GLU 189.A N ARG 185.A O no hydrogen 2.984 N/A THR 190.A OG1 LEU 186.A O no hydrogen 2.790 N/A GLY 194.A N ALA 191.A O no hydrogen 2.887 N/A SER 196.A N TYR 226.A OH no hydrogen 2.951 N/A ASP 198.A N ILE 217.A O no hydrogen 2.745 N/A VAL 200.A N PHE 156.A O no hydrogen 2.961 N/A ARG 201.A NE GLU 213.A OE2 no hydrogen 3.472 N/A ARG 201.A NH1 GLU 203.A OE2 no hydrogen 3.236 N/A TYR 202.A N TRP 154.A O no hydrogen 2.818 N/A GLU 203.A N GLY 207.A O no hydrogen 3.017 N/A LYS 204.A N ASN 152.A O no hydrogen 2.958 N/A LYS 206.A N GLU 203.A O no hydrogen 3.259 N/A GLY 207.A N GLU 203.A O no hydrogen 2.822 N/A TRP 208.A NE1 GLU 189.A OE1 no hydrogen 2.770 N/A GLN 209.A N ARG 201.A O no hydrogen 2.928 N/A LEU 216.A N GLU 213.A O no hydrogen 2.925 N/A SER 218.A N VAL 263.A O no hydrogen 2.843 N/A SER 218.A OG TYR 226.A OH no hydrogen 2.684 N/A SER 219.A N ASP 198.A OD1 no hydrogen 2.933 N/A SER 219.A OG ASP 198.A OD1 no hydrogen 3.486 N/A SER 219.A OG ASP 198.A OD2 no hydrogen 2.402 N/A TYR 220.A OH GLU 261.A OE2 no hydrogen 2.572 N/A ALA 222.A N ASP 198.A OD1 no hydrogen 2.875 N/A ILE 223.A N SER 219.A O no hydrogen 3.085 N/A ARG 224.A N ASP 221.A O no hydrogen 3.309 N/A ARG 224.A NE ASP 221.A O no hydrogen 3.329 N/A ARG 224.A NH1 TYR 37.A OH no hydrogen 2.770 N/A ARG 224.A NH1 ASP 94.A OD2 no hydrogen 3.190 N/A ARG 224.A NH2 SER 159.A OG no hydrogen 2.716 N/A VAL 225.A N ALA 222.A O no hydrogen 2.773 N/A TYR 226.A OH SER 218.A OG no hydrogen 2.684 N/A TRP 228.A N ARG 224.A O no hydrogen 2.820 N/A TRP 228.A NE1 SER 159.A O no hydrogen 2.841 N/A VAL 229.A N VAL 225.A O no hydrogen 3.058 N/A GLY 230.A N TYR 226.A O no hydrogen 3.043 N/A MET 231.A N MET 227.A O no hydrogen 3.012 N/A MET 231.A N TRP 228.A O no hydrogen 3.036 N/A MET 232.A N VAL 229.A O no hydrogen 3.102 N/A ASP 236.A N PRO 233.A O no hydrogen 2.991 N/A GLN 238.A N ASP 236.A OD1 no hydrogen 3.009 N/A GLN 238.A NE2 ARG 180.A O no hydrogen 3.417 N/A LYS 239.A N ASP 236.A O no hydrogen 2.963 N/A LYS 239.A NZ MET 232.A O no hydrogen 2.784 N/A LYS 239.A NZ ASP 234.A OD2 no hydrogen 3.033 N/A MET 242.A N GLN 238.A O no hydrogen 3.210 N/A LEU 243.A N LYS 239.A O no hydrogen 2.833 N/A ASN 244.A N ALA 240.A O no hydrogen 3.078 N/A ARG 245.A N ARG 241.A O no hydrogen 3.034 N/A ARG 245.A NE ARG 245.A O no hydrogen 3.446 N/A PHE 246.A N MET 242.A O no hydrogen 3.023 N/A LYS 247.A N ASN 244.A O no hydrogen 3.212 N/A MET 249.A N PHE 246.A O no hydrogen 3.047 N/A THR 251.A N LYS 247.A O no hydrogen 2.788 N/A THR 251.A OG1 LYS 247.A O no hydrogen 3.231 N/A PHE 252.A N PRO 248.A O no hydrogen 2.954 N/A THR 253.A N MET 249.A O no hydrogen 3.185 N/A THR 253.A OG1 MET 249.A O no hydrogen 2.965 N/A GLU 254.A N ALA 250.A O no hydrogen 2.996 N/A LYS 255.A N THR 251.A O no hydrogen 3.032 N/A ASN 256.A N PHE 252.A O no hydrogen 2.867 N/A GLY 257.A N THR 253.A O no hydrogen 2.807 N/A GLU 261.A N GLN 271.A O no hydrogen 3.148 N/A GLU 261.A N GLY 272.A O no hydrogen 3.179 N/A LYS 262.A N GLN 271.A O no hydrogen 3.067 N/A VAL 263.A N SER 218.A O no hydrogen 3.140 N/A ASP 264.A N LYS 269.A O no hydrogen 2.847 N/A VAL 265.A N LEU 216.A O no hydrogen 3.241 N/A ALA 266.A N ASP 264.A OD1 no hydrogen 2.918 N/A THR 267.A N ASP 264.A O no hydrogen 3.345 N/A GLY 268.A N ASP 264.A O no hydrogen 2.639 N/A LYS 269.A N THR 267.A OG1 no hydrogen 3.167 N/A GLN 271.A N LYS 262.A O no hydrogen 2.815 N/A GLY 274.A N PRO 259.A O no hydrogen 2.865 N/A GLY 277.A N ASN 311.A OD1 no hydrogen 2.942 N/A PHE 278.A N PRO 275.A O no hydrogen 2.888 N/A ALA 280.A N VAL 276.A O no hydrogen 3.119 N/A ALA 281.A N GLY 277.A O no hydrogen 3.018 N/A MET 282.A N PHE 278.A O no hydrogen 3.236 N/A MET 282.A N SER 279.A O no hydrogen 3.137 N/A LEU 283.A N ALA 280.A O no hydrogen 3.092 N/A LEU 286.A N MET 282.A O no hydrogen 2.775 N/A ALA 291.A N ASN 288.A OD1 no hydrogen 2.898 N/A GLN 292.A N ASN 288.A O no hydrogen 2.861 N/A GLN 292.A NE2 LEU 283.A O no hydrogen 2.972 N/A ALA 293.A N ARG 289.A O no hydrogen 2.897 N/A VAL 294.A N ASP 290.A O no hydrogen 2.909 N/A GLN 295.A N ALA 291.A O no hydrogen 3.137 N/A ARG 296.A N GLN 292.A O no hydrogen 2.880 N/A ARG 296.A NE ASP 322.A OD1 no hydrogen 2.693 N/A ARG 296.A NH2 ASP 322.A OD1 no hydrogen 3.514 N/A ARG 296.A NH2 ASP 322.A OD2 no hydrogen 2.767 N/A GLN 297.A N ALA 293.A O no hydrogen 2.943 N/A ARG 298.A N VAL 294.A O no hydrogen 3.236 N/A ARG 298.A NH1 GLY 274.A O no hydrogen 2.771 N/A ARG 298.A NH2 GLY 274.A O no hydrogen 2.851 N/A ARG 298.A NH2 PRO 275.A O no hydrogen 3.467 N/A ARG 298.A NH2 SER 279.A OG no hydrogen 2.826 N/A VAL 299.A N GLN 295.A O no hydrogen 3.006 N/A ALA 300.A N ARG 296.A O no hydrogen 3.005 N/A ASP 301.A N GLN 297.A O no hydrogen 2.826 N/A ASN 302.A N ARG 298.A O no hydrogen 2.945 N/A ASN 302.A N VAL 299.A O no hydrogen 3.304 N/A ASN 302.A ND2 ARG 298.A O no hydrogen 3.016 N/A ALA 308.A N TYR 13.A OH no hydrogen 2.838 N/A TYR 309.A OH GLN 33.A OE1 no hydrogen 2.328 N/A TYR 310.A OH TYR 220.A O no hydrogen 2.767 N/A TYR 312.A N ALA 308.A O no hydrogen 3.001 N/A TYR 312.A OH ALA 5.A O no hydrogen 2.899 N/A VAL 313.A N TYR 309.A O no hydrogen 2.908 N/A LEU 314.A N TYR 310.A O no hydrogen 2.971 N/A THR 315.A N ASN 311.A O no hydrogen 2.875 N/A THR 315.A OG1 ASN 311.A O no hydrogen 2.704 N/A LEU 316.A N TYR 312.A O no hydrogen 2.814 N/A PHE 317.A N VAL 313.A O no hydrogen 3.241 N/A GLY 318.A N LEU 314.A O no hydrogen 2.743 N/A GLN 319.A N THR 315.A O no hydrogen 2.904 N/A GLY 320.A N THR 315.A O no hydrogen 3.312 N/A TRP 321.A N PHE 317.A O no hydrogen 2.954 N/A ASP 322.A N GLY 318.A O no hydrogen 3.083 N/A GLN 323.A N GLN 319.A O no hydrogen 2.849 N/A GLN 323.A N GLY 320.A O no hydrogen 3.054 N/A HIS 324.A N TRP 321.A O no hydrogen 3.005 N/A ARG 325.A N GLY 320.A O no hydrogen 2.913 N/A ARG 327.A N LEU 335.A O no hydrogen 3.240 N/A ARG 327.A NH1 TRP 321.A O no hydrogen 2.857 N/A ARG 327.A NH1 PHE 326.A O no hydrogen 2.957 N/A ARG 327.A NH2 TRP 321.A O no hydrogen 3.306 N/A SER 329.A N GLU 333.A O no hydrogen 2.810 N/A LYS 331.A N SER 329.A OG no hydrogen 3.217 N/A GLY 332.A N SER 329.A O no hydrogen 2.977 N/A GLU 333.A N SER 329.A OG no hydrogen 3.032 N/A LEU 334.A N GLU 105.A OE1 no hydrogen 2.815 N/A LEU 335.A N ARG 327.A O no hydrogen 2.696 N/A