Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4h3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N GLN 9.A O no hydrogen 2.832 N/A GLN 9.A N VAL 6.A O no hydrogen 2.773 N/A PHE 11.A N GLU 4.A O no hydrogen 2.818 N/A ASP 12.A N TYR 94.A OH no hydrogen 2.945 N/A VAL 13.A N PHE 11.A O no hydrogen 3.117 N/A ARG 16.A NE ASP 36.A OD1 no hydrogen 2.792 N/A ARG 16.A NH2 ASP 36.A OD1 no hydrogen 3.365 N/A ARG 16.A NH2 ASP 36.A OD2 no hydrogen 2.728 N/A TYR 17.A N VAL 13.A O no hydrogen 3.140 N/A TYR 17.A OH ASP 80.A OD2 no hydrogen 2.917 N/A THR 18.A N TYR 35.A O no hydrogen 2.964 N/A THR 18.A OG1 ASN 19.A OD1 no hydrogen 2.875 N/A SER 21.A N SER 33.A O no hydrogen 3.049 N/A TYR 22.A OH GLU 25.A OE2 no hydrogen 3.157 N/A ILE 23.A N VAL 31.A O no hydrogen 2.886 N/A GLY 24.A N VAL 31.A O no hydrogen 3.265 N/A GLY 26.A N GLY 29.A O no hydrogen 2.920 N/A TYR 28.A OH TYR 179.A O no hydrogen 3.041 N/A MET 30.A N LYS 47.A O no hydrogen 3.192 N/A VAL 31.A N GLY 24.A O no hydrogen 2.779 N/A CYS 32.A N ILE 45.A O no hydrogen 2.882 N/A SER 33.A N SER 21.A O no hydrogen 2.791 N/A SER 33.A OG SER 21.A O no hydrogen 3.477 N/A ALA 34.A N VAL 43.A O no hydrogen 2.833 N/A TYR 35.A N THR 18.A O no hydrogen 2.857 N/A ASP 36.A N VAL 41.A O no hydrogen 2.798 N/A ASN 37.A N ARG 16.A O no hydrogen 2.818 N/A ASN 37.A ND2 PRO 15.A O no hydrogen 3.641 N/A ASN 37.A ND2 ARG 16.A O no hydrogen 3.072 N/A ASN 37.A ND2 THR 18.A OG1 no hydrogen 2.863 N/A VAL 38.A N ASP 36.A OD1 no hydrogen 2.823 N/A ASN 39.A N ASP 36.A OD1 no hydrogen 3.119 N/A LYS 40.A NZ ASN 37.A O no hydrogen 3.057 N/A VAL 43.A N ALA 34.A O no hydrogen 2.925 N/A ALA 44.A N GLN 97.A O no hydrogen 2.855 N/A ILE 45.A N CYS 32.A O no hydrogen 2.831 N/A LYS 46.A N ILE 95.A O no hydrogen 2.808 N/A LYS 46.A NZ GLU 63.A OE1 no hydrogen 2.821 N/A LYS 47.A N MET 30.A O no hydrogen 2.755 N/A LYS 47.A NZ VAL 10.A O no hydrogen 2.745 N/A ILE 48.A N VAL 93.A O no hydrogen 2.917 N/A SER 49.A OG ASP 92.A OD1 no hydrogen 2.983 N/A HIS 53.A N PRO 50.A O no hydrogen 3.496 N/A GLN 54.A NE2 LEU 327.A O no hydrogen 2.965 N/A GLN 54.A NE2 LEU 330.A O no hydrogen 2.430 N/A TYR 56.A N HIS 53.A O no hydrogen 3.222 N/A CYS 57.A N HIS 53.A O no hydrogen 3.206 N/A CYS 57.A SG PRO 50.A O no hydrogen 3.119 N/A CYS 57.A SG HIS 53.A O no hydrogen 3.523 N/A CYS 57.A SG LYS 332.A O no hydrogen 4.033 N/A GLN 58.A N GLN 54.A O no hydrogen 3.058 N/A GLN 58.A NE2 GLN 54.A OE1 no hydrogen 2.497 N/A ARG 59.A N THR 55.A O no hydrogen 3.083 N/A THR 60.A N TYR 56.A O no hydrogen 2.922 N/A THR 60.A OG1 TYR 56.A O no hydrogen 2.972 N/A LEU 61.A N CYS 57.A O no hydrogen 2.952 N/A ARG 62.A N GLN 58.A O no hydrogen 3.000 N/A ARG 62.A NE GLY 161.A O no hydrogen 3.254 N/A ARG 62.A NH1 GLN 58.A OE1 no hydrogen 3.294 N/A ARG 62.A NH2 GLY 161.A O no hydrogen 2.990 N/A GLU 63.A N ARG 59.A O no hydrogen 3.040 N/A ILE 64.A N THR 60.A O no hydrogen 3.079 N/A LYS 65.A N LEU 61.A O no hydrogen 3.003 N/A ILE 66.A N ARG 62.A O no hydrogen 2.864 N/A LEU 67.A N GLU 63.A O no hydrogen 2.964 N/A LEU 68.A N ILE 64.A O no hydrogen 3.009 N/A ALA 69.A N LYS 65.A O no hydrogen 3.228 N/A ALA 69.A N ILE 66.A O no hydrogen 2.999 N/A PHE 70.A N ILE 66.A O no hydrogen 2.948 N/A ARG 71.A N TYR 131.A OH no hydrogen 3.275 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.946 N/A ASN 74.A ND2 LEU 155.A O no hydrogen 3.222 N/A ILE 75.A N HIS 72.A O no hydrogen 3.141 N/A ILE 76.A N ILE 157.A O no hydrogen 2.926 N/A ASN 79.A N VAL 96.A O no hydrogen 2.773 N/A ASN 79.A ND2 ASP 98.A OD1 no hydrogen 3.057 N/A ASP 80.A N VAL 96.A O no hydrogen 3.455 N/A ILE 82.A N TYR 94.A O no hydrogen 2.847 N/A ARG 83.A NE THR 343.A OG1 no hydrogen 2.788 N/A ARG 83.A NH1 ALA 84.A O no hydrogen 2.948 N/A ARG 83.A NH2 PHE 340.A O no hydrogen 2.708 N/A ARG 83.A NH2 THR 343.A OG1 no hydrogen 3.399 N/A GLN 89.A N THR 86.A O no hydrogen 3.184 N/A GLN 89.A NE2 THR 86.A OG1 no hydrogen 2.499 N/A MET 90.A N THR 86.A O no hydrogen 3.186 N/A MET 90.A N ILE 87.A O no hydrogen 3.101 N/A LYS 91.A NZ GLU 88.A O no hydrogen 3.485 N/A VAL 93.A N ILE 48.A O no hydrogen 2.787 N/A TYR 94.A N ILE 82.A O no hydrogen 2.875 N/A ILE 95.A N LYS 46.A O no hydrogen 2.920 N/A VAL 96.A N ASP 80.A O no hydrogen 2.898 N/A GLN 97.A N ALA 44.A O no hydrogen 2.793 N/A GLU 101.A N LEU 149.A O no hydrogen 2.879 N/A THR 102.A N LEU 149.A O no hydrogen 3.020 N/A THR 102.A OG1 ASP 103.A O no hydrogen 3.423 N/A LEU 104.A N LEU 147.A O no hydrogen 2.802 N/A TYR 105.A N PRO 144.A O no hydrogen 3.203 N/A LYS 106.A N ASP 103.A OD1 no hydrogen 2.726 N/A LEU 107.A N ASP 103.A O no hydrogen 3.029 N/A LEU 108.A N LEU 104.A O no hydrogen 3.169 N/A LYS 109.A N LYS 106.A O no hydrogen 3.200 N/A LYS 109.A NZ TYR 105.A OH no hydrogen 3.149 N/A THR 110.A N LEU 107.A O no hydrogen 2.986 N/A THR 110.A OG1 LEU 107.A O no hydrogen 3.016 N/A GLN 111.A N LEU 107.A O no hydrogen 3.114 N/A GLN 111.A NE2 THR 110.A OG1 no hydrogen 3.023 N/A SER 114.A OG HIS 117.A ND1 no hydrogen 3.408 N/A HIS 117.A N SER 114.A OG no hydrogen 3.217 N/A ILE 118.A N SER 114.A O no hydrogen 3.096 N/A CYS 119.A N ASN 115.A O no hydrogen 2.909 N/A CYS 119.A SG TYR 304.A O no hydrogen 3.305 N/A TYR 120.A N ASP 116.A O no hydrogen 2.984 N/A PHE 121.A N HIS 117.A O no hydrogen 2.742 N/A LEU 122.A N ILE 118.A O no hydrogen 2.748 N/A TYR 123.A N CYS 119.A O no hydrogen 2.849 N/A TYR 123.A OH GLU 314.A OE2 no hydrogen 2.799 N/A GLN 124.A N TYR 120.A O no hydrogen 3.023 N/A GLN 124.A NE2 TYR 120.A O no hydrogen 3.577 N/A GLN 124.A NE2 SER 153.A O no hydrogen 2.644 N/A ILE 125.A N PHE 121.A O no hydrogen 3.036 N/A LEU 126.A N LEU 122.A O no hydrogen 3.077 N/A ARG 127.A N TYR 123.A O no hydrogen 2.811 N/A ARG 127.A NE ASP 313.A O no hydrogen 2.977 N/A ARG 127.A NH1 GLU 73.A OE1 no hydrogen 3.490 N/A ARG 127.A NH1 ASN 74.A OD1 no hydrogen 2.943 N/A ARG 127.A NH2 ASP 313.A O no hydrogen 2.726 N/A GLY 128.A N GLN 124.A O no hydrogen 3.003 N/A LEU 129.A N ILE 125.A O no hydrogen 2.927 N/A LYS 130.A N LEU 126.A O no hydrogen 2.833 N/A LYS 130.A NZ GLU 314.A O no hydrogen 2.933 N/A LYS 130.A NZ GLU 314.A OE1 no hydrogen 3.486 N/A TYR 131.A N ARG 127.A O no hydrogen 3.383 N/A ILE 132.A N GLY 128.A O no hydrogen 2.988 N/A HIS 133.A N LEU 129.A O no hydrogen 2.719 N/A HIS 133.A NE2 ASP 202.A OD2 no hydrogen 2.882 N/A SER 134.A N LYS 130.A O no hydrogen 2.880 N/A SER 134.A OG TYR 131.A O no hydrogen 2.472 N/A ALA 135.A N ILE 132.A O no hydrogen 3.146 N/A ASN 136.A N HIS 133.A O no hydrogen 2.781 N/A VAL 137.A N ILE 132.A O no hydrogen 3.242 N/A LEU 138.A N ARG 164.A O no hydrogen 2.942 N/A HIS 139.A N ASP 202.A OD2 no hydrogen 2.794 N/A HIS 139.A NE2 CYS 158.A O no hydrogen 3.094 N/A ARG 140.A N ASP 202.A OD1 no hydrogen 2.790 N/A ARG 140.A NE LEU 162.A O no hydrogen 2.821 N/A ARG 140.A NH1 LEU 162.A O no hydrogen 2.695 N/A ASP 141.A N HIS 139.A ND1 no hydrogen 2.990 N/A ASN 146.A N LYS 143.A O no hydrogen 2.842 N/A ASN 146.A ND2 ASP 141.A O no hydrogen 2.434 N/A ASN 146.A ND2 ASP 141.A OD2 no hydrogen 3.532 N/A LEU 147.A N PRO 144.A O no hydrogen 3.211 N/A LEU 148.A N LYS 156.A O no hydrogen 2.825 N/A LEU 149.A N THR 102.A O no hydrogen 2.742 N/A ASN 150.A N ASP 154.A O no hydrogen 3.151 N/A THR 151.A N GLU 101.A OE1 no hydrogen 3.097 N/A THR 152.A OG1 ASN 150.A OD1 no hydrogen 2.866 N/A THR 152.A OG1 ASP 154.A OD2 no hydrogen 2.195 N/A SER 153.A N ASN 150.A O no hydrogen 2.876 N/A LEU 155.A N GLN 124.A OE1 no hydrogen 2.931 N/A LYS 156.A N LEU 148.A O no hydrogen 2.863 N/A ILE 157.A N ASN 74.A O no hydrogen 2.806 N/A CYS 158.A N ASN 146.A O no hydrogen 2.918 N/A CYS 158.A SG ASN 146.A O no hydrogen 3.539 N/A PHE 160.A N GLU 63.A OE2 no hydrogen 2.461 N/A ALA 163.A N PHE 160.A O no hydrogen 2.988 N/A ARG 164.A N LEU 138.A O no hydrogen 3.202 N/A ARG 164.A NH1 GLU 326.A OE2 no hydrogen 3.488 N/A ARG 164.A NH2 GLU 326.A OE2 no hydrogen 2.853 N/A ALA 166.A N ASN 136.A O no hydrogen 3.000 N/A ASP 169.A N ASP 167.A OD2 no hydrogen 2.889 N/A HIS 170.A ND1 ASP 171.A O no hydrogen 2.858 N/A HIS 172.A ND1 ILE 190.A O no hydrogen 3.051 N/A HIS 172.A NE2 GLY 196.A O no hydrogen 2.311 N/A TRP 184.A N THR 182.A OG1 no hydrogen 2.960 N/A TRP 184.A NE1 GLY 222.A O no hydrogen 2.888 N/A TYR 185.A OH GLU 212.A OE1 no hydrogen 2.526 N/A ARG 186.A N ARG 183.A O no hydrogen 3.307 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.388 N/A ILE 190.A N ALA 187.A O no hydrogen 3.238 N/A MET 191.A N PRO 188.A O no hydrogen 3.103 N/A LEU 192.A N PRO 188.A O no hydrogen 3.170 N/A ASN 193.A N GLU 189.A O no hydrogen 2.752 N/A GLY 196.A N HIS 170.A O no hydrogen 2.272 N/A TYR 197.A N ASP 167.A O no hydrogen 3.132 N/A LYS 199.A NZ HIS 133.A O no hydrogen 2.836 N/A LYS 199.A NZ ASN 136.A OD1 no hydrogen 3.059 N/A ILE 201.A N THR 198.A O no hydrogen 3.094 N/A ASP 202.A N LYS 199.A O no hydrogen 3.291 N/A TRP 204.A N SER 200.A O no hydrogen 3.244 N/A SER 205.A N ILE 201.A O no hydrogen 3.370 N/A SER 205.A OG TYR 185.A O no hydrogen 2.789 N/A SER 205.A OG ILE 201.A O no hydrogen 3.224 N/A VAL 206.A N ASP 202.A O no hydrogen 3.021 N/A GLY 207.A N ILE 203.A O no hydrogen 2.910 N/A CYS 208.A N TRP 204.A O no hydrogen 2.957 N/A CYS 208.A SG TRP 184.A O no hydrogen 4.006 N/A CYS 208.A SG TRP 204.A O no hydrogen 3.316 N/A ILE 209.A N SER 205.A O no hydrogen 2.985 N/A LEU 210.A N VAL 206.A O no hydrogen 2.868 N/A ALA 211.A N GLY 207.A O no hydrogen 3.041 N/A GLU 212.A N CYS 208.A O no hydrogen 3.129 N/A MET 213.A N ILE 209.A O no hydrogen 2.897 N/A LEU 214.A N LEU 210.A O no hydrogen 3.084 N/A LEU 214.A N ALA 211.A O no hydrogen 3.058 N/A SER 215.A N ALA 211.A O no hydrogen 3.205 N/A SER 215.A OG ALA 211.A O no hydrogen 3.288 N/A ASN 216.A N GLU 212.A O no hydrogen 2.802 N/A ASN 216.A ND2 LEU 108.A O no hydrogen 2.953 N/A ASN 216.A ND2 GLN 111.A O no hydrogen 2.868 N/A ARG 217.A N SER 215.A OG no hydrogen 3.260 N/A LYS 223.A N ASP 227.A OD2 no hydrogen 2.751 N/A TYR 225.A OH LEU 176.A O no hydrogen 2.947 N/A GLN 228.A N HIS 224.A O no hydrogen 2.914 N/A GLN 228.A NE2 PHE 220.A O no hydrogen 3.200 N/A LEU 229.A N TYR 225.A O no hydrogen 3.097 N/A ASN 230.A N LEU 226.A O no hydrogen 3.040 N/A HIS 231.A N ASP 227.A O no hydrogen 3.242 N/A HIS 231.A ND1 ASP 227.A O no hydrogen 2.993 N/A ILE 232.A N GLN 228.A O no hydrogen 3.429 N/A LEU 233.A N LEU 229.A O no hydrogen 3.028 N/A GLY 234.A N ASN 230.A O no hydrogen 2.833 N/A ILE 235.A N ILE 232.A O no hydrogen 3.342 N/A LEU 236.A N ILE 232.A O no hydrogen 2.965 N/A GLY 237.A N LEU 233.A O no hydrogen 2.654 N/A SER 238.A N LYS 262.A O no hydrogen 3.180 N/A SER 238.A OG LYS 262.A O no hydrogen 3.550 N/A SER 240.A N ASP 243.A OD2 no hydrogen 3.146 N/A ASP 243.A N SER 240.A OG no hydrogen 2.818 N/A LEU 244.A N SER 240.A O no hydrogen 3.035 N/A ASN 245.A N GLU 242.A O no hydrogen 3.032 N/A ASN 245.A ND2 GLN 241.A O no hydrogen 2.836 N/A CYS 246.A SG ASN 245.A O no hydrogen 3.022 N/A CYS 246.A SG HIS 291.A ND1 no hydrogen 3.238 N/A ASN 249.A N LEU 192.A O no hydrogen 3.053 N/A ASN 249.A ND2 LEU 192.A O no hydrogen 3.421 N/A ALA 252.A N ASN 249.A O no hydrogen 3.165 N/A ARG 253.A N ASN 249.A O no hydrogen 3.274 N/A LEU 256.A N ALA 252.A O no hydrogen 2.668 N/A LEU 257.A N ARG 253.A O no hydrogen 2.940 N/A SER 258.A N ASN 254.A O no hydrogen 2.973 N/A LEU 259.A N LEU 256.A O no hydrogen 2.919 N/A LYS 262.A N SER 238.A OG no hydrogen 2.608 N/A VAL 265.A N ILE 235.A O no hydrogen 2.930 N/A TRP 267.A NE1 ASP 283.A OD1 no hydrogen 2.213 N/A ARG 269.A N PRO 266.A O no hydrogen 3.062 N/A LEU 270.A N PRO 266.A O no hydrogen 3.472 N/A PHE 271.A N TRP 267.A O no hydrogen 2.867 N/A LYS 277.A N ASP 275.A OD1 no hydrogen 2.490 N/A ALA 278.A N ASP 275.A O no hydrogen 3.033 N/A LEU 279.A N ASP 275.A O no hydrogen 3.267 N/A ASP 280.A N SER 276.A O no hydrogen 3.160 N/A LEU 282.A N ALA 278.A O no hydrogen 3.104 N/A ASP 283.A N LEU 279.A O no hydrogen 2.852 N/A LYS 284.A NZ ASP 280.A OD2 no hydrogen 2.358 N/A MET 285.A N LEU 281.A O no hydrogen 2.980 N/A MET 285.A N LEU 282.A O no hydrogen 3.161 N/A LEU 286.A N LEU 282.A O no hydrogen 2.876 N/A ASN 289.A ND2 ASP 243.A O no hydrogen 3.676 N/A HIS 291.A N ASN 289.A OD1 no hydrogen 3.126 N/A HIS 291.A ND1 ASN 289.A OD1 no hydrogen 3.251 N/A LYS 292.A N ASN 289.A O no hydrogen 3.232 N/A ARG 293.A N ASN 289.A O no hydrogen 3.249 N/A ARG 293.A N PRO 290.A O no hydrogen 3.214 N/A ARG 293.A NE THR 287.A O no hydrogen 2.967 N/A ARG 293.A NH1 GLU 189.A OE2 no hydrogen 2.720 N/A ARG 293.A NH1 SER 200.A O no hydrogen 2.891 N/A ARG 293.A NH2 GLU 189.A OE1 no hydrogen 3.132 N/A ARG 293.A NH2 GLU 189.A OE2 no hydrogen 3.327 N/A ARG 293.A NH2 THR 287.A O no hydrogen 3.206 N/A ARG 293.A NH2 PHE 288.A O no hydrogen 3.371 N/A ILE 294.A N LYS 284.A O no hydrogen 3.107 N/A GLU 295.A N GLN 298.A OE1 no hydrogen 2.947 N/A ALA 299.A N GLU 295.A O no hydrogen 2.837 N/A LEU 300.A N VAL 296.A O no hydrogen 3.016 N/A ALA 301.A N GLU 297.A O no hydrogen 3.040 N/A HIS 302.A N ALA 299.A O no hydrogen 3.205 N/A TYR 304.A N HIS 302.A ND1 no hydrogen 2.809 N/A TYR 304.A OH ASN 115.A OD1 no hydrogen 2.910 N/A LEU 305.A N HIS 302.A O no hydrogen 2.981 N/A ALA 306.A N PRO 303.A O no hydrogen 3.177 N/A TYR 308.A N LEU 305.A O no hydrogen 2.519 N/A TYR 309.A N LEU 305.A O no hydrogen 2.970 N/A ASP 310.A N GLU 314.A OE2 no hydrogen 2.976 N/A SER 312.A OG ASP 310.A OD1 no hydrogen 2.264 N/A ASP 313.A N ASP 310.A O no hydrogen 2.694 N/A ALA 317.A N SER 134.A OG no hydrogen 2.745 N/A PHE 321.A N ALA 135.A O no hydrogen 3.097 N/A ASP 328.A N GLU 326.A OE1 no hydrogen 3.022 N/A ASP 329.A N GLU 326.A O no hydrogen 3.107 N/A LEU 330.A N LEU 327.A O no hydrogen 3.235 N/A LYS 332.A NZ GLU 333.A OE2 no hydrogen 2.766 N/A LYS 334.A N PRO 331.A O no hydrogen 3.043 N/A LEU 335.A N PRO 331.A O no hydrogen 3.272 N/A LYS 336.A N LYS 332.A O no hydrogen 3.034 N/A LYS 336.A NZ ILE 87.A O no hydrogen 3.159 N/A LYS 336.A NZ MET 90.A O no hydrogen 2.749 N/A GLU 337.A N GLU 333.A O no hydrogen 3.459 N/A LEU 338.A N LYS 334.A O no hydrogen 3.055 N/A ILE 339.A N LEU 335.A O no hydrogen 2.823 N/A PHE 340.A N LYS 336.A O no hydrogen 2.958 N/A GLU 341.A N GLU 337.A O no hydrogen 2.962 N/A GLU 342.A N LEU 338.A O no hydrogen 2.931 N/A THR 343.A N ILE 339.A O no hydrogen 3.070 N/A THR 343.A OG1 ILE 339.A O no hydrogen 2.904 N/A THR 343.A OG1 PHE 340.A O no hydrogen 3.144 N/A ALA 344.A N GLU 341.A O no hydrogen 3.308 N/A PHE 346.A N THR 343.A O no hydrogen 3.126 N/A GLN 347.A N ALA 344.A O no hydrogen 2.929 N/A TYR 350.A N GLN 347.A O no hydrogen 3.146 N/A