Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2i3g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 2.A N LEU 332.A O no hydrogen 2.764 N/A THR 5.A N ARG 34.A O no hydrogen 2.738 N/A LYS 6.A N ASP 77.A OD2 no hydrogen 2.893 N/A LYS 6.A NZ GLY 75.A O no hydrogen 3.273 N/A VAL 7.A N ARG 36.A O no hydrogen 2.755 N/A ALA 8.A N ALA 78.A O no hydrogen 2.909 N/A VAL 9.A N ALA 39.A O no hydrogen 2.984 N/A ALA 10.A N PHE 80.A O no hydrogen 2.876 N/A GLY 11.A N THR 41.A O no hydrogen 2.775 N/A ALA 12.A N THR 41.A O no hydrogen 2.919 N/A GLY 14.A N GLY 11.A O no hydrogen 3.443 N/A GLY 18.A N GLY 14.A O no hydrogen 2.924 N/A GLU 19.A N TYR 15.A O no hydrogen 2.894 N/A ILE 20.A N ALA 16.A O no hydrogen 2.944 N/A LEU 21.A N GLY 17.A O no hydrogen 3.108 N/A ARG 22.A N GLY 18.A O no hydrogen 2.924 N/A ARG 22.A NE GLU 19.A OE1 no hydrogen 3.072 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 3.307 N/A ARG 22.A NH2 GLU 19.A OE2 no hydrogen 2.853 N/A LEU 23.A N GLU 19.A O no hydrogen 3.028 N/A LEU 24.A N ILE 20.A O no hydrogen 2.818 N/A LEU 25.A N LEU 21.A O no hydrogen 2.923 N/A GLY 26.A N ARG 22.A O no hydrogen 3.336 N/A GLY 26.A N LEU 23.A O no hydrogen 3.133 N/A HIS 27.A N LEU 24.A O no hydrogen 3.180 N/A HIS 27.A NE2 ASN 329.A OD1 no hydrogen 2.876 N/A ALA 29.A N HIS 27.A ND1 no hydrogen 2.898 N/A TYR 30.A N HIS 27.A O no hydrogen 3.092 N/A ALA 31.A N HIS 27.A O no hydrogen 3.332 N/A ASP 32.A N PRO 28.A O no hydrogen 3.011 N/A GLY 33.A N TYR 30.A O no hydrogen 3.394 N/A ARG 34.A N ASP 32.A OD1 no hydrogen 3.402 N/A ARG 34.A NH2 ALA 2.A O no hydrogen 3.371 N/A LEU 35.A N ALA 29.A O no hydrogen 2.952 N/A ARG 36.A N THR 5.A O no hydrogen 2.830 N/A ARG 36.A NE GLY 33.A O no hydrogen 2.936 N/A ARG 36.A NH2 GLY 33.A O no hydrogen 3.249 N/A GLY 38.A N VAL 7.A O no hydrogen 2.731 N/A ALA 39.A N HIS 76.A NE2 no hydrogen 3.012 N/A THR 41.A N VAL 9.A O no hydrogen 2.896 N/A THR 41.A OG1 THR 68.A OG1 no hydrogen 2.738 N/A ALA 42.A N GLU 66.A O no hydrogen 3.002 N/A ALA 46.A N ALA 43.A O no hydrogen 3.224 N/A GLY 47.A N VAL 65.A O no hydrogen 2.800 N/A SER 48.A N SER 45.A O no hydrogen 3.079 N/A SER 48.A OG SER 45.A O no hydrogen 2.536 N/A SER 48.A OG HIS 53.A NE2 no hydrogen 2.590 N/A THR 49.A N GLU 52.A OE2 no hydrogen 3.000 N/A THR 49.A OG1 GLU 52.A OE2 no hydrogen 3.168 N/A LEU 50.A N ARG 63.A O no hydrogen 2.831 N/A GLY 51.A N ALA 61.A O no hydrogen 2.921 N/A GLU 52.A N THR 49.A O no hydrogen 3.121 N/A HIS 53.A N LEU 50.A O no hydrogen 2.840 N/A HIS 53.A NE2 SER 48.A OG no hydrogen 2.590 N/A HIS 54.A N LEU 50.A O no hydrogen 2.766 N/A HIS 54.A NE2 ALA 12.A O no hydrogen 2.663 N/A LEU 57.A N HIS 54.A O no hydrogen 2.938 N/A LEU 60.A N LEU 57.A O no hydrogen 2.993 N/A ALA 61.A N THR 58.A O no hydrogen 3.078 N/A ARG 63.A N LEU 60.A O no hydrogen 3.074 N/A ARG 63.A NH1 ILE 37.A O no hydrogen 3.363 N/A ARG 63.A NH1 GLY 38.A O no hydrogen 2.796 N/A ARG 63.A NH2 ILE 37.A O no hydrogen 2.671 N/A VAL 65.A N SER 48.A O no hydrogen 2.797 N/A GLU 66.A N LEU 40.A O no hydrogen 2.864 N/A THR 68.A N ALA 42.A O no hydrogen 3.083 N/A THR 68.A OG1 THR 41.A OG1 no hydrogen 2.738 N/A THR 68.A OG1 ALA 42.A O no hydrogen 2.744 N/A LEU 73.A N GLU 69.A O no hydrogen 2.951 N/A GLY 74.A N ALA 70.A O no hydrogen 2.852 N/A HIS 76.A ND1 LEU 73.A O no hydrogen 2.916 N/A ASP 77.A N LYS 6.A O no hydrogen 2.810 N/A ALA 78.A N LYS 6.A O no hydrogen 3.314 N/A VAL 79.A N LEU 100.A O no hydrogen 2.791 N/A PHE 80.A N ALA 8.A O no hydrogen 2.939 N/A LEU 81.A N ILE 102.A O no hydrogen 2.758 N/A ALA 82.A N ALA 10.A O no hydrogen 2.811 N/A GLY 86.A N ASP 107.A OD1 no hydrogen 3.134 N/A GLY 86.A N ASP 107.A OD2 no hydrogen 2.875 N/A SER 88.A OG ASP 103.A OD2 no hydrogen 2.584 N/A SER 88.A OG ASP 107.A OD2 no hydrogen 3.244 N/A LEU 91.A N HIS 87.A O no hydrogen 2.712 N/A ALA 92.A N SER 88.A O no hydrogen 2.589 N/A GLN 93.A N ALA 89.A O no hydrogen 3.090 N/A GLN 94.A N LEU 91.A O no hydrogen 2.959 N/A GLN 94.A NE2 VAL 90.A O no hydrogen 3.211 N/A SER 96.A OG GLU 98.A OE1 no hydrogen 2.669 N/A SER 96.A OG GLU 98.A OE2 no hydrogen 2.694 N/A GLU 98.A N GLU 98.A OE1 no hydrogen 3.046 N/A THR 99.A N SER 96.A O no hydrogen 3.020 N/A THR 99.A OG1 SER 96.A O no hydrogen 2.754 N/A LEU 100.A N ASP 77.A O no hydrogen 2.890 N/A ILE 101.A N ARG 146.A O no hydrogen 2.879 N/A ILE 102.A N VAL 79.A O no hydrogen 2.900 N/A ASP 103.A N ILE 148.A O no hydrogen 2.839 N/A CYS 104.A N LEU 81.A O no hydrogen 2.837 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.057 N/A ARG 109.A N ALA 106.A O no hydrogen 3.030 N/A ARG 109.A NE VAL 150.A O no hydrogen 2.707 N/A ARG 109.A NH1 GLU 217.A OE1 no hydrogen 2.962 N/A ARG 109.A NH2 CYS 104.A O no hydrogen 2.845 N/A THR 111.A N GLN 220.A OE1 no hydrogen 2.843 N/A ALA 114.A N ASP 112.A OD1 no hydrogen 2.977 N/A VAL 115.A N ASP 112.A OD1 no hydrogen 3.263 N/A TRP 116.A N ASP 112.A O no hydrogen 2.925 N/A TRP 116.A NE1 SER 122.A OG no hydrogen 2.844 N/A GLU 117.A N ALA 113.A O no hydrogen 3.034 N/A ARG 118.A N ALA 114.A O no hydrogen 3.032 N/A PHE 119.A N VAL 115.A O no hydrogen 3.106 N/A TYR 120.A N TRP 116.A O no hydrogen 2.719 N/A GLY 121.A N GLU 117.A O no hydrogen 2.908 N/A HIS 124.A NE2 LEU 110.A O no hydrogen 2.615 N/A TRP 128.A N PHE 108.A O no hydrogen 2.825 N/A TYR 130.A OH GLU 217.A OE2 no hydrogen 2.660 N/A GLY 131.A N ALA 149.A O no hydrogen 2.696 N/A LEU 132.A N TYR 130.A O no hydrogen 2.825 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.858 N/A LEU 135.A N LEU 132.A O no hydrogen 3.079 N/A ALA 138.A N LEU 135.A O no hydrogen 2.966 N/A ARG 139.A NE GLU 336.A OE1 no hydrogen 2.646 N/A ARG 139.A NE GLU 336.A OE2 no hydrogen 3.372 N/A ARG 139.A NH1 GLU 271.A OE2 no hydrogen 2.933 N/A ARG 139.A NH2 GLU 271.A OE1 no hydrogen 2.784 N/A ARG 139.A NH2 GLU 271.A OE2 no hydrogen 3.499 N/A ARG 139.A NH2 GLU 336.A OE2 no hydrogen 2.840 N/A GLN 141.A NE2 GLY 137.A O no hydrogen 3.436 N/A LEU 142.A N ARG 139.A O no hydrogen 3.189 N/A ARG 143.A N ARG 139.A O no hydrogen 3.338 N/A ARG 143.A NH1 ASP 140.A OD1 no hydrogen 2.506 N/A GLY 144.A N LEU 330.A O no hydrogen 3.368 N/A THR 145.A N LEU 142.A O no hydrogen 3.110 N/A THR 145.A OG1 ARG 147.A O no hydrogen 2.703 N/A ARG 146.A NE GLU 98.A O no hydrogen 2.987 N/A ARG 146.A NH2 GLU 98.A O no hydrogen 3.100 N/A ARG 147.A N THR 145.A OG1 no hydrogen 3.077 N/A ARG 147.A NH1 PRO 97.A O no hydrogen 3.179 N/A ARG 147.A NH1 ARG 146.A O no hydrogen 2.987 N/A ARG 147.A NH2 PRO 97.A O no hydrogen 2.941 N/A ILE 148.A N ILE 101.A O no hydrogen 3.000 N/A ALA 149.A N PRO 129.A O no hydrogen 2.969 N/A VAL 150.A N ASP 103.A O no hydrogen 2.863 N/A GLY 152.A N GLU 217.A OE2 no hydrogen 2.799 N/A TYR 154.A OH TYR 206.A OH no hydrogen 2.783 N/A THR 156.A N GLY 152.A O no hydrogen 3.275 N/A THR 156.A OG1 GLY 152.A O no hydrogen 2.906 N/A ALA 157.A N CYS 153.A O no hydrogen 3.395 N/A ALA 158.A N TYR 154.A O no hydrogen 2.915 N/A LEU 159.A N PRO 155.A O no hydrogen 2.795 N/A LEU 160.A N THR 156.A O no hydrogen 3.160 N/A ALA 161.A N ALA 157.A O no hydrogen 3.070 N/A LEU 162.A N ALA 158.A O no hydrogen 3.001 N/A LEU 162.A N LEU 159.A O no hydrogen 3.246 N/A PHE 163.A N LEU 159.A O no hydrogen 2.848 N/A LEU 166.A N LEU 162.A O no hydrogen 3.262 N/A ALA 167.A N PHE 163.A O no hydrogen 2.820 N/A ALA 168.A N PRO 164.A O no hydrogen 3.154 N/A ASP 169.A N LEU 166.A O no hydrogen 2.919 N/A LEU 170.A N ALA 165.A O no hydrogen 2.950 N/A GLU 172.A N ARG 252.A O no hydrogen 2.885 N/A VAL 175.A N SER 231.A O no hydrogen 2.948 N/A THR 176.A N THR 250.A O no hydrogen 2.856 N/A VAL 177.A N SER 233.A O no hydrogen 2.714 N/A VAL 178.A N THR 248.A O no hydrogen 2.890 N/A ALA 179.A N THR 235.A O no hydrogen 3.016 N/A VAL 180.A N LEU 246.A O no hydrogen 3.067 N/A SER 181.A N VAL 237.A O no hydrogen 2.894 N/A SER 181.A OG GLY 182.A O no hydrogen 2.892 N/A GLY 182.A N GLY 244.A O no hydrogen 2.884 N/A THR 183.A N ALA 241.A O no hydrogen 2.788 N/A SER 184.A N SER 242.A O no hydrogen 2.922 N/A SER 184.A OG SER 242.A O no hydrogen 2.609 N/A ALA 186.A N THR 183.A O no hydrogen 2.974 N/A GLY 187.A N SER 184.A O no hydrogen 3.078 N/A ARG 188.A NH1 SER 13.A O no hydrogen 2.742 N/A ARG 188.A NH1 HIS 53.A O no hydrogen 2.952 N/A ARG 188.A NH2 HIS 53.A O no hydrogen 2.559 N/A LEU 194.A N THR 191.A O no hydrogen 3.193 N/A LEU 195.A N THR 192.A O no hydrogen 3.017 N/A GLU 198.A N LEU 195.A O no hydrogen 3.063 N/A VAL 199.A N LEU 195.A O no hydrogen 3.073 N/A VAL 199.A N GLY 196.A O no hydrogen 3.210 N/A ILE 200.A N GLY 196.A O no hydrogen 2.927 N/A SER 202.A N VAL 199.A O no hydrogen 3.105 N/A ARG 204.A N LEU 238.A O no hydrogen 3.147 N/A ARG 204.A NH2 ASP 193.A O no hydrogen 3.302 N/A TYR 206.A N PRO 236.A O no hydrogen 3.178 N/A TYR 206.A OH TYR 154.A OH no hydrogen 2.783 N/A ASN 207.A ND2 HIS 212.A ND1 no hydrogen 3.670 N/A VAL 211.A N ILE 208.A O no hydrogen 3.470 N/A ARG 213.A NE PHE 119.A O no hydrogen 2.879 N/A ARG 213.A NH2 PHE 119.A O no hydrogen 3.520 N/A THR 215.A N HIS 212.A O no hydrogen 2.950 N/A THR 215.A OG1 HIS 212.A O no hydrogen 2.852 N/A ILE 218.A N HIS 214.A O no hydrogen 2.998 N/A ALA 219.A N THR 215.A O no hydrogen 3.070 N/A GLN 220.A N PRO 216.A O no hydrogen 2.854 N/A GLN 220.A NE2 ARG 109.A O no hydrogen 3.083 N/A GLY 221.A N GLU 217.A O no hydrogen 3.226 N/A LEU 222.A N ILE 218.A O no hydrogen 3.083 N/A ARG 223.A N ALA 219.A O no hydrogen 2.878 N/A ARG 223.A NH2 VAL 230.A O no hydrogen 3.060 N/A ALA 224.A N GLN 220.A O no hydrogen 3.224 N/A VAL 225.A N LEU 222.A O no hydrogen 2.871 N/A ARG 228.A N THR 226.A OG1 no hydrogen 3.112 N/A ARG 228.A NE ASP 169.A OD1 no hydrogen 2.702 N/A ARG 228.A NH2 ASP 169.A OD1 no hydrogen 3.558 N/A ARG 228.A NH2 ASP 169.A OD2 no hydrogen 2.784 N/A SER 231.A N PRO 173.A O no hydrogen 2.958 N/A SER 233.A N VAL 175.A O no hydrogen 2.891 N/A THR 235.A N VAL 177.A O no hydrogen 2.804 N/A VAL 237.A N ALA 179.A O no hydrogen 2.884 N/A LEU 238.A N ARG 204.A O no hydrogen 2.819 N/A ILE 239.A N SER 181.A O no hydrogen 2.936 N/A ALA 241.A N ILE 239.A O no hydrogen 2.892 N/A ARG 243.A NH1 GLU 19.A OE2 no hydrogen 2.797 N/A ARG 243.A NH1 ASP 314.A OD1 no hydrogen 3.462 N/A ARG 243.A NH1 ASP 314.A OD2 no hydrogen 2.825 N/A ARG 243.A NH2 GLU 19.A OE1 no hydrogen 2.826 N/A ARG 243.A NH2 GLU 19.A OE2 no hydrogen 3.204 N/A GLY 244.A N ASN 315.A OD1 no hydrogen 2.729 N/A ILE 245.A N ILE 313.A O no hydrogen 2.837 N/A LEU 246.A N VAL 180.A O no hydrogen 3.028 N/A ALA 247.A N ALA 311.A O no hydrogen 2.757 N/A THR 248.A N VAL 178.A O no hydrogen 2.947 N/A CYS 249.A N ALA 309.A O no hydrogen 2.880 N/A THR 250.A N THR 176.A O no hydrogen 2.701 N/A ALA 251.A N PHE 307.A O no hydrogen 3.203 N/A ARG 252.A NE.B GLN 305.A O no hydrogen 3.118 N/A ARG 252.A NH1.A GLN 305.A OE1 no hydrogen 2.352 N/A ARG 252.A NH2.B GLN 305.A OE1 no hydrogen 3.536 N/A THR 253.A N GLN 305.A O no hydrogen 2.982 N/A THR 253.A OG1 LEU 170.A O no hydrogen 2.606 N/A SER 255.A N THR 253.A OG1 no hydrogen 3.139 N/A SER 255.A OG LEU 170.A O no hydrogen 2.824 N/A GLN 259.A N PRO 256.A O no hydrogen 3.098 N/A LEU 260.A N PRO 256.A O no hydrogen 3.248 N/A ARG 261.A N LEU 257.A O no hydrogen 2.847 N/A ARG 261.A NH1.B VAL 298.A O no hydrogen 2.664 N/A ALA 262.A N SER 258.A O no hydrogen 3.009 N/A ALA 263.A N GLN 259.A O no hydrogen 3.101 N/A TYR 264.A N LEU 260.A O no hydrogen 3.242 N/A TYR 264.A OH ALA 161.A O no hydrogen 2.514 N/A GLU 265.A N ARG 261.A O no hydrogen 2.927 N/A LYS 266.A N ALA 262.A O no hydrogen 2.996 N/A ALA 267.A N ALA 263.A O no hydrogen 3.075 N/A TYR 268.A N TYR 264.A O no hydrogen 2.864 N/A TYR 268.A OH LEU 160.A O no hydrogen 2.577 N/A HIS 269.A N GLU 265.A O no hydrogen 2.758 N/A HIS 269.A ND1 GLU 265.A O no hydrogen 3.183 N/A GLU 271.A N TYR 268.A O no hydrogen 2.974 N/A ILE 274.A N GLU 271.A O no hydrogen 3.209 N/A TYR 275.A N ALA 294.A O no hydrogen 2.763 N/A MET 277.A N ILE 296.A O no hydrogen 2.903 N/A GLN 281.A N PRO 278.A O no hydrogen 3.011 N/A ALA 287.A N ARG 284.A O no hydrogen 3.098 N/A VAL 288.A N THR 285.A O no hydrogen 3.101 N/A GLY 290.A N ASP 314.A OD2 no hydrogen 2.661 N/A SER 291.A N VAL 288.A O no hydrogen 2.849 N/A SER 291.A OG VAL 288.A O no hydrogen 2.716 N/A ASN 292.A N SER 341.A O no hydrogen 2.724 N/A ASN 292.A ND2 GLN 326.A OE1 no hydrogen 2.984 N/A ALA 293.A N SER 291.A OG no hydrogen 3.150 N/A ALA 294.A N PHE 273.A O no hydrogen 2.867 N/A HIS 295.A N ALA 312.A O no hydrogen 3.018 N/A ILE 296.A N TYR 275.A O no hydrogen 2.893 N/A ALA 297.A N ILE 310.A O no hydrogen 3.083 N/A ALA 299.A N VAL 308.A O no hydrogen 2.773 N/A ASP 301.A N THR 306.A O no hydrogen 2.784 N/A ALA 304.A N ASP 301.A OD1 no hydrogen 3.090 N/A GLN 305.A N GLU 302.A O no hydrogen 3.072 N/A THR 306.A N ASP 301.A O no hydrogen 3.086 N/A THR 306.A OG1 ALA 304.A O no hydrogen 3.033 N/A PHE 307.A N ALA 251.A O no hydrogen 2.708 N/A VAL 308.A N ALA 299.A O no hydrogen 2.876 N/A ALA 309.A N CYS 249.A O no hydrogen 2.851 N/A ILE 310.A N ALA 297.A O no hydrogen 2.877 N/A ALA 311.A N ALA 247.A O no hydrogen 2.948 N/A ALA 312.A N HIS 295.A O no hydrogen 2.912 N/A ILE 313.A N ILE 245.A O no hydrogen 2.970 N/A ASN 315.A ND2 SER 184.A OG no hydrogen 2.920 N/A LEU 316.A N ASP 314.A OD1 no hydrogen 2.924 N/A VAL 317.A N ASP 314.A O no hydrogen 3.129 N/A LYS 318.A NZ GLU 134.A OE1 no hydrogen 2.665 N/A LYS 318.A NZ GLU 134.A OE2 no hydrogen 3.271 N/A LYS 318.A NZ GLN 326.A OE1 no hydrogen 2.796 N/A GLY 319.A N ASP 314.A O no hydrogen 3.046 N/A THR 320.A N VAL 317.A O no hydrogen 3.053 N/A THR 320.A OG1 ASN 315.A O no hydrogen 2.535 N/A ALA 321.A N LEU 316.A O no hydrogen 2.898 N/A GLY 322.A N VAL 317.A O no hydrogen 2.725 N/A ALA 323.A N VAL 317.A O no hydrogen 3.156 N/A ALA 324.A N THR 320.A O no hydrogen 2.970 N/A VAL 325.A N ALA 321.A O no hydrogen 2.922 N/A GLN 326.A N GLY 322.A O no hydrogen 2.816 N/A GLN 326.A NE2 GLU 134.A OE2 no hydrogen 2.943 N/A GLN 326.A NE2 GLU 336.A OE2 no hydrogen 2.818 N/A SER 327.A N ALA 323.A O no hydrogen 2.978 N/A SER 327.A OG ALA 323.A O no hydrogen 2.864 N/A MET 328.A N ALA 324.A O no hydrogen 2.797 N/A ASN 329.A N VAL 325.A O no hydrogen 2.858 N/A ASN 329.A ND2 GLU 336.A O no hydrogen 2.985 N/A ASN 329.A ND2 ASP 338.A O no hydrogen 2.849 N/A LEU 330.A N GLN 326.A O no hydrogen 3.221 N/A ALA 331.A N SER 327.A O no hydrogen 2.910 N/A LEU 332.A N MET 328.A O no hydrogen 2.957 N/A GLY 333.A N LEU 330.A O no hydrogen 3.284 N/A TRP 334.A N ASN 329.A O no hydrogen 2.815 N/A TRP 334.A NE1 ALA 2.A O no hydrogen 2.922 N/A ASP 338.A N PRO 335.A O no hydrogen 3.132 N/A LEU 340.A N THR 337.A O no hydrogen 3.001 N/A VAL 343.A N SER 341.A OG no hydrogen 2.934 N/A VAL 345.A N ILE 289.A O no hydrogen 2.764 N/A