Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kgd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N PRO 30.A O no hydrogen 3.313 N/A LEU 5.A N THR 32.A O no hydrogen 2.820 N/A GLY 7.A N.A THR 34.A O no hydrogen 3.152 N/A GLY 7.A N.B THR 34.A O no hydrogen 2.647 N/A ALA 8.A N.A ASP 6.A OD1.A no hydrogen 3.156 N/A ALA 8.A N.A ASP 6.A OD1.B no hydrogen 2.057 N/A ALA 8.A N.B ASP 6.A OD1.B no hydrogen 2.959 N/A GLY 10.A N GLY 7.A O.A no hydrogen 3.217 N/A GLY 14.A N GLU 11.A O no hydrogen 3.010 N/A GLN 15.A N GLU 11.A OE2 no hydrogen 2.834 N/A GLN 15.A NE2 GLN 101.A OE1 no hydrogen 3.418 N/A ILE 16.A N GLU 11.A O no hydrogen 3.008 N/A ARG 18.A N GLY 14.A O no hydrogen 2.923 N/A ARG 18.A NE GLN 101.A OE1 no hydrogen 2.857 N/A SER 19.A N GLN 15.A O no hydrogen 3.102 N/A SER 19.A OG GLN 15.A O no hydrogen 3.247 N/A SER 19.A OG GLN 15.A OE1 no hydrogen 3.166 N/A SER 19.A OG ASN 310.A OD1 no hydrogen 2.718 N/A ALA 20.A N ILE 16.A O no hydrogen 2.834 N/A LEU 21.A N LEU 17.A O no hydrogen 2.894 N/A SER 22.A N ARG 18.A O no hydrogen 3.198 N/A SER 22.A OG ARG 18.A O no hydrogen 3.042 N/A SER 22.A OG THR 102.A O no hydrogen 2.723 N/A LEU 23.A N SER 19.A O no hydrogen 2.955 N/A SER 24.A N ALA 20.A O no hydrogen 2.790 N/A SER 24.A OG GLN 29.A O no hydrogen 2.617 N/A MET 25.A N LEU 21.A O no hydrogen 3.027 N/A ILE 26.A N SER 22.A O no hydrogen 3.023 N/A THR 27.A N LEU 23.A O no hydrogen 2.983 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.659 N/A GLY 28.A N SER 24.A O no hydrogen 2.743 N/A GLN 29.A N THR 27.A OG1 no hydrogen 3.297 N/A GLN 29.A NE2 THR 27.A OG1 no hydrogen 2.989 N/A GLN 29.A NE2 PHE 317.A O no hydrogen 2.869 N/A PHE 31.A N PHE 76.A O no hydrogen 3.025 N/A THR 32.A N ILE 3.A O no hydrogen 2.957 N/A THR 32.A OG1.B LEU 74.A O no hydrogen 3.160 N/A ILE 33.A N LEU 74.A O no hydrogen 2.886 N/A THR 34.A N LEU 5.A O no hydrogen 3.264 N/A ILE 36.A N GLN 72.A O no hydrogen 2.934 N/A ARG 37.A N GLY 7.A O.B no hydrogen 3.059 N/A ARG 37.A NH1 LYS 42.A O no hydrogen 2.771 N/A ARG 37.A NH1 GLY 44.A O no hydrogen 2.813 N/A ARG 37.A NH2 LYS 42.A O no hydrogen 3.348 N/A ARG 40.A N ARG 37.A O no hydrogen 3.271 N/A LEU 45.A N SER 71.A O no hydrogen 2.918 N/A LEU 46.A N HIS 49.A ND1 no hydrogen 2.900 N/A GLN 48.A N GLN 48.A OE1 no hydrogen 2.643 N/A LEU 50.A N LEU 46.A O no hydrogen 2.972 N/A THR 51.A N ARG 47.A O no hydrogen 3.026 N/A THR 51.A OG1 ARG 47.A O no hydrogen 3.027 N/A VAL 53.A N HIS 49.A O no hydrogen 3.173 N/A LYS 54.A N LEU 50.A O no hydrogen 2.833 N/A ALA 55.A N THR 51.A O no hydrogen 2.887 N/A ALA 56.A N ALA 52.A O no hydrogen 2.994 N/A THR 57.A N VAL 53.A O no hydrogen 2.909 N/A THR 57.A OG1 VAL 53.A O no hydrogen 2.730 N/A GLU 58.A N LYS 54.A O no hydrogen 3.073 N/A ILE 59.A N ALA 55.A O no hydrogen 3.190 N/A CYS 60.A N ALA 56.A O no hydrogen 3.226 N/A CYS 60.A SG ALA 56.A O no hydrogen 3.411 N/A ALA 62.A N THR 57.A O no hydrogen 3.232 N/A THR 63.A N ARG 77.A O no hydrogen 2.941 N/A GLU 65.A N LEU 75.A O no hydrogen 2.952 N/A GLU 68.A N GLY 66.A O no hydrogen 2.945 N/A GLY 70.A N LEU 45.A O no hydrogen 2.781 N/A SER 71.A N GLU 68.A O no hydrogen 2.964 N/A SER 71.A OG GLY 66.A O no hydrogen 2.796 N/A SER 71.A OG ARG 73.A O no hydrogen 2.798 N/A ARG 73.A N SER 71.A OG no hydrogen 3.171 N/A ARG 73.A NH1 GLU 65.A OE2 no hydrogen 3.168 N/A LEU 74.A N ILE 33.A O no hydrogen 2.877 N/A LEU 75.A N GLU 65.A O no hydrogen 2.957 N/A PHE 76.A N PHE 31.A O no hydrogen 2.868 N/A ARG 77.A N THR 63.A O no hydrogen 2.858 N/A ARG 82.A N ILE 59.A O no hydrogen 2.940 N/A ARG 82.A NE THR 80.A O no hydrogen 2.806 N/A ARG 82.A NH2 THR 80.A O no hydrogen 2.773 N/A GLY 83.A N ASP 111.A OD1.A no hydrogen 2.879 N/A GLY 84.A N SER 114.A OG no hydrogen 3.196 N/A TYR 86.A N ARG 115.A O no hydrogen 2.855 N/A TYR 86.A OH ARG 82.A O no hydrogen 2.626 N/A PHE 88.A N GLU 117.A O no hydrogen 2.887 N/A ILE 90.A N SER 119.A O no hydrogen 2.874 N/A GLY 91.A N SER 119.A O no hydrogen 3.465 N/A GLY 94.A N GLY 91.A O no hydrogen 3.274 N/A CYS 96.A N GLY 121.A O no hydrogen 2.952 N/A CYS 96.A SG VAL 118.A O no hydrogen 3.314 N/A CYS 96.A SG GLY 121.A O no hydrogen 3.568 N/A THR 97.A OG1 SER 95.A OG.B no hydrogen 3.115 N/A THR 97.A OG1 PRO 128.A O no hydrogen 2.606 N/A LEU 98.A N SER 95.A O no hydrogen 3.136 N/A LEU 98.A N SER 95.A OG.B no hydrogen 3.265 N/A VAL 99.A N SER 95.A O no hydrogen 3.331 N/A LEU 100.A N CYS 96.A O no hydrogen 3.116 N/A GLN 101.A N THR 97.A O no hydrogen 2.838 N/A THR 102.A N LEU 98.A O no hydrogen 3.202 N/A THR 102.A N VAL 99.A O no hydrogen 3.071 N/A THR 102.A OG1 LEU 98.A O no hydrogen 2.913 N/A VAL 103.A N VAL 99.A O no hydrogen 3.148 N/A LEU 104.A N LEU 100.A O no hydrogen 2.909 N/A LEU 107.A N VAL 103.A O no hydrogen 3.219 N/A TRP 108.A N LEU 104.A O no hydrogen 3.056 N/A TRP 108.A N PRO 105.A O no hydrogen 3.364 N/A TRP 108.A NE1 GLN 148.A OE1 no hydrogen 2.868 N/A PHE 109.A N ALA 106.A O no hydrogen 2.948 N/A ALA 110.A N LEU 107.A O no hydrogen 3.121 N/A SER 114.A N VAL 169.A O no hydrogen 2.985 N/A ARG 115.A N GLY 84.A O no hydrogen 2.965 N/A ARG 115.A NH1.A GLU 117.A OE1 no hydrogen 2.902 N/A ARG 115.A NH1.B GLU 168.A OE1 no hydrogen 2.823 N/A ARG 115.A NH2.A GLU 117.A OE1 no hydrogen 2.775 N/A VAL 116.A N THR 167.A O no hydrogen 2.889 N/A GLU 117.A N TYR 86.A O no hydrogen 2.935 N/A VAL 118.A N VAL 165.A O no hydrogen 2.881 N/A SER 119.A N PHE 88.A O no hydrogen 2.925 N/A GLY 120.A N GLY 163.A O no hydrogen 2.851 N/A GLY 121.A N GLY 94.A O no hydrogen 3.266 N/A THR 122.A N GLY 156.A O no hydrogen 2.863 N/A THR 122.A OG1 ASP 123.A OD1 no hydrogen 2.596 N/A THR 122.A OG1 GLY 156.A O no hydrogen 3.229 N/A SER 126.A N ASN 124.A OD1 no hydrogen 2.807 N/A ILE 133.A N PRO 129.A O no hydrogen 3.093 N/A ARG 134.A N ALA 130.A O no hydrogen 2.920 N/A ARG 134.A NH2 ASP 131.A OD1 no hydrogen 2.994 N/A ARG 135.A N ASP 131.A O no hydrogen 2.810 N/A ARG 135.A NE GLU 237.A OE2 no hydrogen 2.646 N/A ARG 135.A NH2 GLU 237.A OE1 no hydrogen 2.778 N/A ARG 135.A NH2 GLU 237.A OE2 no hydrogen 3.551 N/A VAL 136.A N PHE 132.A O no hydrogen 2.926 N/A LEU 137.A N PHE 132.A O no hydrogen 3.068 N/A GLU 138.A N ILE 133.A O no hydrogen 2.784 N/A LEU 141.A N LEU 137.A O no hydrogen 2.902 N/A ALA 142.A N GLU 138.A O no hydrogen 2.904 N/A LYS 143.A N PRO 139.A O no hydrogen 3.258 N/A ILE 144.A N LEU 140.A O no hydrogen 3.176 N/A GLY 145.A N ALA 142.A O no hydrogen 2.931 N/A ILE 146.A N LEU 141.A O no hydrogen 2.832 N/A GLN 148.A NE2 GLU 138.A OE2 no hydrogen 2.853 N/A GLN 149.A N GLU 168.A O no hydrogen 2.846 N/A THR 150.A N GLU 138.A OE1 no hydrogen 2.981 N/A THR 150.A OG1 GLU 138.A OE2 no hydrogen 2.508 N/A THR 150.A OG1 THR 167.A OG1 no hydrogen 2.816 N/A THR 151.A N ALA 166.A O no hydrogen 2.747 N/A LEU 153.A N VAL 164.A O no hydrogen 2.790 N/A ARG 154.A N VAL 164.A O no hydrogen 3.254 N/A ARG 154.A NH1 GLY 162.A O no hydrogen 3.371 N/A ARG 154.A NH2 ASP 227.A OD2 no hydrogen 3.186 N/A HIS 155.A N GLN 228.A OE1 no hydrogen 2.955 N/A HIS 155.A ND1 ASP 123.A OD1 no hydrogen 2.739 N/A GLY 156.A N THR 122.A OG1 no hydrogen 2.768 N/A ALA 160.A N PHE 157.A O no hydrogen 2.679 N/A GLY 163.A N GLY 120.A O no hydrogen 2.886 N/A VAL 164.A N ARG 154.A O no hydrogen 2.876 N/A VAL 165.A N VAL 118.A O no hydrogen 2.957 N/A ALA 166.A N THR 151.A O no hydrogen 2.901 N/A THR 167.A N VAL 116.A O no hydrogen 2.847 N/A THR 167.A OG1 THR 150.A OG1 no hydrogen 2.816 N/A GLU 168.A N GLN 149.A O no hydrogen 2.868 N/A VAL 169.A N SER 114.A O no hydrogen 2.911 N/A SER 170.A N HIS 147.A O no hydrogen 3.114 N/A VAL 172.A N TRP 108.A O no hydrogen 2.906 N/A SER 174.A OG PHE 175.A O no hydrogen 3.539 N/A ASN 176.A N ILE 144.A O no hydrogen 2.831 N/A LEU 180.A N GLU 297.A O no hydrogen 2.919 N/A ARG 183.A N THR 275.A O no hydrogen 2.820 N/A ARG 183.A NH1 SER 274.A O no hydrogen 2.867 N/A ARG 183.A NH1 ALA 276.A O no hydrogen 3.054 N/A ARG 183.A NH2 SER 274.A O no hydrogen 3.076 N/A ASN 185.A N GLU 241.A OE2 no hydrogen 3.034 N/A VAL 187.A N GLU 239.A O no hydrogen 2.768 N/A GLN 188.A N GLU 239.A O no hydrogen 3.107 N/A GLN 188.A NE2 GLU 218.A OE2 no hydrogen 2.662 N/A MET 189.A N HIS 217.A ND1 no hydrogen 2.993 N/A ARG 190.A N GLU 237.A O no hydrogen 2.907 N/A ARG 190.A NE GLU 192.A OE2 no hydrogen 2.826 N/A ARG 190.A NH1 GLU 192.A OE2 no hydrogen 3.470 N/A ARG 190.A NH2 GLU 218.A OE2 no hydrogen 3.506 N/A GLY 191.A N GLU 218.A O no hydrogen 2.809 N/A GLU 192.A N SER 235.A O no hydrogen 2.987 N/A VAL 193.A N ASN 220.A O no hydrogen 2.804 N/A LEU 194.A N THR 233.A O no hydrogen 2.914 N/A LEU 195.A N HIS 222.A O no hydrogen 2.958 N/A ALA 196.A N GLY 231.A O no hydrogen 2.875 N/A VAL 202.A N PRO 199.A O no hydrogen 3.115 N/A ALA 203.A N ARG 200.A O no hydrogen 2.979 N/A GLU 204.A N ARG 200.A O no hydrogen 3.162 N/A ARG 205.A N HIS 201.A O no hydrogen 2.958 N/A GLU 206.A N VAL 202.A O no hydrogen 2.905 N/A ILE 207.A N ALA 203.A O no hydrogen 2.884 N/A ALA 208.A N GLU 204.A O no hydrogen 3.000 N/A THR 209.A N ARG 205.A O no hydrogen 2.873 N/A THR 209.A OG1 ARG 205.A O no hydrogen 2.871 N/A LEU 210.A N GLU 206.A O no hydrogen 3.046 N/A ALA 211.A N ILE 207.A O no hydrogen 2.829 N/A GLY 212.A N THR 209.A O no hydrogen 3.107 N/A SER 213.A N LEU 210.A O no hydrogen 3.063 N/A PHE 214.A N LEU 210.A O no hydrogen 3.003 N/A HIS 217.A N MET 189.A O no hydrogen 2.850 N/A GLU 218.A N MET 189.A O no hydrogen 3.236 N/A ASN 220.A N GLY 191.A O no hydrogen 2.877 N/A ASN 220.A ND2.B GLU 218.A OE1 no hydrogen 3.352 N/A HIS 222.A N VAL 193.A O no hydrogen 2.892 N/A LEU 224.A N LEU 195.A O no hydrogen 2.818 N/A GLN 228.A N PRO 225.A O no hydrogen 2.911 N/A GLY 229.A N ARG 226.A O no hydrogen 2.804 N/A GLY 231.A N ALA 196.A O no hydrogen 2.975 N/A ASN 232.A ND2 GLU 206.A OE1 no hydrogen 3.511 N/A ASN 232.A ND2 GLU 206.A OE2 no hydrogen 2.689 N/A THR 233.A N LEU 194.A O no hydrogen 3.061 N/A VAL 234.A N VAL 249.A O no hydrogen 2.971 N/A SER 235.A N GLU 192.A O no hydrogen 2.839 N/A LEU 236.A N PHE 247.A O no hydrogen 2.881 N/A GLU 237.A N ARG 190.A O no hydrogen 2.779 N/A VAL 238.A N GLU 245.A O no hydrogen 2.833 N/A GLU 239.A N GLN 188.A O no hydrogen 2.916 N/A SER 240.A N ILE 243.A O no hydrogen 2.778 N/A GLU 241.A N ASN 185.A O no hydrogen 2.767 N/A ASN 242.A N ARG 183.A O no hydrogen 3.232 N/A ASN 242.A ND2 GLU 182.A O no hydrogen 2.946 N/A GLU 245.A N VAL 238.A O no hydrogen 2.942 N/A ARG 246.A N GLU 245.A OE1 no hydrogen 2.942 N/A ARG 246.A NH1 GLU 192.A OE2 no hydrogen 2.842 N/A ARG 246.A NH1 GLU 237.A OE2 no hydrogen 2.847 N/A ARG 246.A NH2 GLU 192.A OE1 no hydrogen 2.880 N/A PHE 247.A N LEU 236.A O no hydrogen 2.926 N/A VAL 249.A N VAL 234.A O no hydrogen 2.917 N/A GLY 251.A N ASN 232.A O no hydrogen 2.705 N/A VAL 255.A N GLU 252.A O no hydrogen 3.158 N/A SER 256.A OG GLU 258.A OE1 no hydrogen 3.034 N/A GLU 258.A N GLU 258.A OE1 no hydrogen 2.686 N/A VAL 260.A N SER 256.A O no hydrogen 3.043 N/A ALA 261.A N ALA 257.A O no hydrogen 2.931 N/A ALA 262.A N GLU 258.A O no hydrogen 3.061 N/A GLN 263.A N VAL 259.A O no hydrogen 3.118 N/A LEU 264.A N VAL 260.A O no hydrogen 3.390 N/A VAL 265.A N ALA 261.A O no hydrogen 2.842 N/A LYS 266.A N ALA 262.A O no hydrogen 2.970 N/A GLU 267.A N GLN 263.A O no hydrogen 3.184 N/A VAL 268.A N LEU 264.A O no hydrogen 2.960 N/A LYS 269.A N VAL 265.A O no hydrogen 2.861 N/A ARG 270.A N LYS 266.A O no hydrogen 3.011 N/A TYR 271.A N GLU 267.A O no hydrogen 3.091 N/A TYR 271.A OH ALA 277.A O no hydrogen 2.696 N/A LEU 272.A N VAL 268.A O no hydrogen 2.945 N/A ALA 273.A N LYS 269.A O no hydrogen 2.850 N/A ALA 273.A N ARG 270.A O no hydrogen 3.320 N/A SER 274.A N TYR 271.A O no hydrogen 3.305 N/A ALA 276.A N SER 274.A OG no hydrogen 3.259 N/A ALA 277.A N GLY 181.A O no hydrogen 2.918 N/A GLY 279.A N GLU 245.A OE2 no hydrogen 2.830 N/A TYR 281.A OH GLU 267.A OE2 no hydrogen 3.205 N/A ALA 283.A N GLY 279.A O no hydrogen 3.134 N/A ASP 284.A N TYR 281.A O no hydrogen 3.083 N/A GLN 285.A N LEU 282.A O no hydrogen 2.839 N/A GLN 285.A NE2 TYR 281.A O no hydrogen 3.416 N/A LEU 286.A N ALA 283.A O no hydrogen 3.324 N/A MET 290.A N LEU 286.A O no hydrogen 2.998 N/A ALA 291.A N VAL 287.A O no hydrogen 2.925 N/A LEU 292.A N LEU 288.A O no hydrogen 2.847 N/A ALA 293.A N PRO 289.A O no hydrogen 3.001 N/A GLY 294.A N MET 290.A O no hydrogen 2.934 N/A GLY 294.A N ALA 291.A O no hydrogen 2.992 N/A GLU 297.A N LEU 178.A O no hydrogen 3.028 N/A PHE 298.A N VAL 333.A O no hydrogen 2.958 N/A VAL 300.A N THR 331.A O no hydrogen 2.868 N/A LEU 307.A N SER 304.A OG no hydrogen 2.998 N/A LEU 308.A N SER 304.A O no hydrogen 3.107 N/A THR 309.A N CYS 305.A O no hydrogen 2.824 N/A THR 309.A OG1 CYS 305.A O no hydrogen 2.955 N/A ASN 310.A N HIS 306.A O no hydrogen 2.895 N/A ASN 310.A ND2 ASP 284.A O no hydrogen 2.906 N/A ILE 311.A N LEU 307.A O no hydrogen 3.012 N/A ALA 312.A N LEU 308.A O no hydrogen 3.023 N/A VAL 313.A N THR 309.A O no hydrogen 2.965 N/A VAL 314.A N ASN 310.A O no hydrogen 2.936 N/A GLU 315.A N ILE 311.A O no hydrogen 2.965 N/A ARG 316.A N VAL 313.A O no hydrogen 2.981 N/A ARG 316.A NH1 ALA 4.A O no hydrogen 3.370 N/A ARG 316.A NH2 ALA 4.A O no hydrogen 2.981 N/A PHE 317.A N VAL 313.A O no hydrogen 3.322 N/A PHE 317.A N VAL 314.A O no hydrogen 3.005 N/A LEU 318.A N VAL 314.A O no hydrogen 2.843 N/A ARG 321.A NH1 LEU 318.A O no hydrogen 2.985 N/A ARG 321.A NH1 VAL 320.A O no hydrogen 2.803 N/A PHE 322.A N GLU 315.A OE2 no hydrogen 3.031 N/A SER 323.A N SER 334.A O no hydrogen 2.763 N/A ILE 325.A N ARG 332.A O no hydrogen 2.968 N/A THR 327.A N VAL 330.A O no hydrogen 2.821 N/A GLY 329.A N GLU 326.A OE1 no hydrogen 3.137 N/A VAL 330.A N THR 327.A O no hydrogen 3.221 N/A THR 331.A N VAL 300.A O no hydrogen 2.851 N/A ARG 332.A N ILE 325.A O no hydrogen 2.813 N/A ARG 332.A NE GLU 297.A OE1 no hydrogen 2.754 N/A ARG 332.A NH2 GLU 297.A OE1 no hydrogen 3.537 N/A ARG 332.A NH2 GLU 297.A OE2 no hydrogen 2.792 N/A VAL 333.A N PHE 298.A O no hydrogen 2.753 N/A SER 334.A N SER 323.A O no hydrogen 2.907 N/A ILE 335.A N GLY 296.A O no hydrogen 2.992 N/A GLU 336.A N ARG 321.A O no hydrogen 2.846 N/A