Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N GLN 2.A O no hydrogen 3.121 N/A ASN 6.A ND2 HIS 45.A O no hydrogen 2.871 N/A THR 10.A N ASN 6.A O no hydrogen 2.869 N/A THR 10.A OG1 ASN 6.A O no hydrogen 3.324 N/A THR 10.A OG1 GLY 7.A O no hydrogen 3.229 N/A ASP 11.A N GLY 7.A O no hydrogen 2.769 N/A MET 12.A N GLY 8.A O no hydrogen 3.041 N/A LEU 13.A N ILE 9.A O no hydrogen 2.987 N/A THR 14.A N THR 10.A O no hydrogen 2.950 N/A THR 14.A OG1 THR 10.A O no hydrogen 2.997 N/A GLU 15.A N ASP 11.A O no hydrogen 2.902 N/A LEU 16.A N MET 12.A O no hydrogen 2.970 N/A ALA 17.A N LEU 13.A O no hydrogen 2.828 N/A ASN 18.A N THR 14.A O no hydrogen 2.984 N/A PHE 19.A N GLU 15.A O no hydrogen 3.187 N/A GLU 20.A N LEU 16.A O no hydrogen 3.092 N/A LYS 21.A N ALA 17.A O no hydrogen 3.067 N/A LYS 21.A NZ TYR 30.A OH no hydrogen 3.476 N/A ASN 22.A N ASN 18.A O no hydrogen 2.806 N/A ASN 22.A ND2 ASN 92.A OD1 no hydrogen 2.852 N/A VAL 23.A N PHE 19.A O no hydrogen 2.953 N/A SER 24.A N PHE 19.A O no hydrogen 3.003 N/A ALA 26.A N GLU 20.A O no hydrogen 2.753 N/A TYR 30.A N ALA 26.A O no hydrogen 3.037 N/A ASN 31.A N ILE 27.A O no hydrogen 3.056 N/A ALA 32.A N HIS 28.A O no hydrogen 2.848 N/A TYR 33.A N LYS 29.A O no hydrogen 2.945 N/A ARG 34.A N TYR 30.A O no hydrogen 2.907 N/A ARG 34.A NH1 ASN 31.A OD1 no hydrogen 3.227 N/A LYS 35.A N ASN 31.A O no hydrogen 2.895 N/A ALA 36.A N ALA 32.A O no hydrogen 3.003 N/A ALA 37.A N TYR 33.A O no hydrogen 2.995 N/A SER 38.A N ARG 34.A O no hydrogen 2.896 N/A SER 38.A OG ARG 34.A O no hydrogen 3.181 N/A VAL 39.A N LYS 35.A O no hydrogen 3.079 N/A ILE 40.A N ALA 36.A O no hydrogen 3.082 N/A ALA 41.A N ALA 37.A O no hydrogen 2.825 N/A LYS 42.A N SER 38.A O no hydrogen 3.089 N/A TYR 43.A N VAL 39.A O no hydrogen 3.232 N/A TYR 43.A N ILE 40.A O no hydrogen 2.946 N/A TYR 43.A OH GLU 52.A OE2 no hydrogen 2.685 N/A ILE 47.A N ASN 6.A OD1 no hydrogen 2.807 N/A LYS 48.A N GLU 52.A OE1 no hydrogen 2.832 N/A GLY 50.A N ASP 68.A OD1 no hydrogen 2.937 N/A GLU 52.A N SER 49.A OG no hydrogen 3.297 N/A ALA 53.A N SER 49.A O no hydrogen 3.267 N/A LYS 54.A N GLY 50.A O no hydrogen 2.822 N/A LYS 55.A N GLU 52.A O no hydrogen 3.389 N/A LEU 56.A N ALA 53.A O no hydrogen 2.810 N/A VAL 59.A N LEU 56.A O no hydrogen 3.034 N/A ALA 64.A N GLY 60.A O no hydrogen 3.079 N/A GLU 65.A N THR 61.A O no hydrogen 3.017 N/A LYS 66.A N LYS 62.A O no hydrogen 3.024 N/A ILE 67.A N ILE 63.A O no hydrogen 2.831 N/A ASP 68.A N ALA 64.A O no hydrogen 3.011 N/A GLU 69.A N GLU 65.A O no hydrogen 3.006 N/A PHE 70.A N LYS 66.A O no hydrogen 2.779 N/A LEU 71.A N ILE 67.A O no hydrogen 2.816 N/A ALA 72.A N ASP 68.A O no hydrogen 3.105 N/A THR 73.A N GLU 69.A O no hydrogen 2.967 N/A THR 73.A OG1 GLU 69.A O no hydrogen 2.647 N/A GLY 74.A N PHE 70.A O no hydrogen 2.656 N/A LYS 75.A N THR 73.A OG1 no hydrogen 3.347 N/A ARG 77.A N GLU 69.A OE2 no hydrogen 2.779 N/A GLU 80.A N LEU 76.A O no hydrogen 2.920 N/A LYS 81.A N ARG 77.A O no hydrogen 2.964 N/A LYS 81.A NZ GLN 84.A OE1.A no hydrogen 2.965 N/A LYS 81.A NZ GLN 84.A OE1.B no hydrogen 2.895 N/A ILE 82.A N LYS 78.A O no hydrogen 3.032 N/A ARG 83.A N LEU 79.A O no hydrogen 3.007 N/A ARG 83.A NE GLU 15.A OE1 no hydrogen 3.231 N/A ARG 83.A NE GLU 15.A OE2 no hydrogen 2.693 N/A ARG 83.A NH2 GLU 15.A OE1 no hydrogen 3.006 N/A GLN 84.A N.A LYS 81.A O no hydrogen 3.258 N/A GLN 84.A N.B LYS 81.A O no hydrogen 3.259 N/A ASP 85.A N ILE 82.A O no hydrogen 3.202 N/A SER 88.A N ASP 85.A OD2 no hydrogen 2.998 N/A SER 88.A OG ASP 85.A OD2 no hydrogen 3.335 N/A SER 89.A N ASP 85.A O no hydrogen 2.920 N/A SER 89.A OG ASP 85.A O no hydrogen 2.760 N/A SER 89.A OG ASP 86.A O no hydrogen 3.198 N/A SER 90.A N ASP 86.A O no hydrogen 3.064 N/A SER 90.A OG ASP 86.A O no hydrogen 2.759 N/A ILE 91.A N THR 87.A O no hydrogen 2.916 N/A ASN 92.A N SER 88.A O no hydrogen 2.863 N/A PHE 93.A N SER 89.A O no hydrogen 2.947 N/A LEU 94.A N SER 90.A O no hydrogen 2.895 N/A THR 95.A OG1 ASN 92.A O no hydrogen 2.592 N/A ARG 96.A N PHE 93.A O no hydrogen 2.907 N/A ARG 96.A NE GLU 141.A OE2 no hydrogen 2.839 N/A ARG 96.A NH2 GLU 141.A OE1 no hydrogen 2.876 N/A ARG 96.A NH2 GLU 141.A OE2 no hydrogen 3.472 N/A VAL 97.A N LEU 94.A O no hydrogen 3.020 N/A SER 98.A OG HIS 129.A NE2 no hydrogen 2.741 N/A ILE 100.A N VAL 97.A O no hydrogen 2.985 N/A ALA 105.A N GLY 101.A O no hydrogen 2.940 N/A ARG 106.A N PRO 102.A O no hydrogen 2.953 N/A LYS 107.A N SER 103.A O no hydrogen 3.059 N/A PHE 108.A N ALA 104.A O no hydrogen 2.845 N/A VAL 109.A N ALA 105.A O no hydrogen 3.045 N/A ASP 110.A N ARG 106.A O no hydrogen 2.853 N/A GLU 111.A N LYS 107.A O no hydrogen 3.212 N/A GLU 111.A N PHE 108.A O no hydrogen 3.078 N/A GLY 112.A N VAL 109.A O no hydrogen 2.860 N/A ILE 113.A N PHE 108.A O no hydrogen 2.847 N/A LYS 114.A N ASP 118.A OD2 no hydrogen 2.846 N/A LYS 114.A NZ ASP 86.A OD2 no hydrogen 2.760 N/A THR 115.A N ASP 118.A OD2 no hydrogen 3.112 N/A GLU 117.A N GLU 117.A OE1 no hydrogen 2.549 N/A ASP 118.A N THR 115.A OG1 no hydrogen 2.985 N/A LEU 119.A N THR 115.A O no hydrogen 2.891 N/A ARG 120.A N LEU 116.A O no hydrogen 2.698 N/A LYS 121.A N GLU 117.A O no hydrogen 3.031 N/A LYS 121.A N ASP 118.A O no hydrogen 3.129 N/A ASN 122.A N LEU 119.A O no hydrogen 2.799 N/A ASN 122.A ND2 ASP 118.A O no hydrogen 2.829 N/A LYS 125.A N ASN 122.A O no hydrogen 2.981 N/A LEU 126.A N GLU 123.A O no hydrogen 2.872 N/A ASN 127.A N GLN 130.A OE1 no hydrogen 2.934 N/A HIS 128.A NE2 THR 221.A O no hydrogen 2.836 N/A HIS 129.A NE2 SER 98.A OG no hydrogen 2.741 N/A GLN 130.A N ASN 127.A OD1 no hydrogen 2.897 N/A GLN 130.A NE2 GLY 99.A O no hydrogen 2.948 N/A ARG 131.A N ASN 127.A O no hydrogen 2.948 N/A ARG 131.A NE GLU 123.A O no hydrogen 3.301 N/A ARG 131.A NH2 GLU 123.A O no hydrogen 2.910 N/A ILE 132.A N HIS 128.A O no hydrogen 3.158 N/A GLY 133.A N HIS 129.A O no hydrogen 2.823 N/A LEU 134.A N GLN 130.A O no hydrogen 2.936 N/A LYS 135.A N ARG 131.A O no hydrogen 2.840 N/A TYR 136.A N ILE 132.A O no hydrogen 2.957 N/A TYR 136.A OH ASP 220.A OD2 no hydrogen 2.628 N/A PHE 137.A N LEU 134.A O no hydrogen 3.142 N/A PHE 140.A N TYR 136.A O no hydrogen 2.848 N/A GLU 141.A N GLY 138.A O no hydrogen 3.042 N/A LYS 142.A N ASP 139.A O no hydrogen 3.042 N/A ARG 143.A NE SER 181.A OG no hydrogen 3.036 N/A ARG 143.A NH2 SER 181.A O no hydrogen 3.180 N/A ARG 143.A NH2 SER 181.A OG no hydrogen 3.267 N/A ILE 144.A N SER 182.A O no hydrogen 2.711 N/A ARG 146.A N GLU 180.A O no hydrogen 3.066 N/A ARG 146.A NH1 PHE 175.A O no hydrogen 2.806 N/A ARG 146.A NH1 ALA 179.A O no hydrogen 3.097 N/A GLU 148.A N PRO 145.A O no hydrogen 2.893 N/A MET 149.A N PRO 145.A O no hydrogen 3.116 N/A LEU 150.A N ARG 146.A O no hydrogen 2.824 N/A GLN 151.A N GLU 147.A O no hydrogen 3.167 N/A GLN 151.A NE2 GLU 147.A O no hydrogen 3.685 N/A GLN 151.A NE2 GLU 147.A OE2 no hydrogen 3.022 N/A MET 152.A N GLU 148.A O no hydrogen 2.836 N/A GLN 153.A N MET 149.A O no hydrogen 2.799 N/A ASP 154.A N LEU 150.A O no hydrogen 2.893 N/A ILE 155.A N GLN 151.A O no hydrogen 3.286 N/A VAL 156.A N MET 152.A O no hydrogen 2.964 N/A LEU 157.A N GLN 153.A O no hydrogen 2.792 N/A ASN 158.A N ASP 154.A O no hydrogen 3.075 N/A GLU 159.A N ILE 155.A O no hydrogen 2.930 N/A VAL 160.A N VAL 156.A O no hydrogen 2.985 N/A LYS 161.A N LEU 157.A O no hydrogen 3.306 N/A LYS 162.A N ASN 158.A O no hydrogen 3.024 N/A LYS 162.A NZ GLU 159.A OE1 no hydrogen 2.958 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 3.324 N/A VAL 163.A N GLU 159.A O no hydrogen 3.033 N/A ASP 164.A N VAL 160.A O no hydrogen 3.128 N/A GLU 166.A N ASP 164.A OD1 no hydrogen 2.890 N/A TYR 167.A N ASP 164.A O no hydrogen 3.186 N/A TYR 167.A OH LEU 204.A O no hydrogen 2.558 N/A ILE 168.A N THR 190.A O no hydrogen 2.908 N/A THR 170.A N LEU 188.A O no hydrogen 2.956 N/A THR 170.A OG1 TYR 259.A OH no hydrogen 2.438 N/A CYS 172.A N ASP 186.A O no hydrogen 2.792 N/A CYS 172.A SG THR 170.A O no hydrogen 3.673 N/A GLY 173.A N PHE 266.A O no hydrogen 2.879 N/A ARG 176.A N GLY 173.A O no hydrogen 2.940 N/A ARG 176.A NH1 THR 267.A OG1 no hydrogen 2.639 N/A ARG 176.A NH1 GLU 310.A OE1 no hydrogen 2.879 N/A ARG 176.A NH2 GLU 310.A OE1 no hydrogen 3.370 N/A ARG 176.A NH2 GLU 310.A OE2 no hydrogen 2.725 N/A ARG 177.A NH1 THR 267.A O no hydrogen 2.728 N/A GLY 178.A N PHE 175.A O no hydrogen 2.973 N/A ALA 179.A N SER 174.A O no hydrogen 3.088 N/A SER 182.A N ILE 144.A O no hydrogen 2.733 N/A MET 185.A N ARG 248.A O no hydrogen 2.965 N/A VAL 187.A N ASP 250.A O no hydrogen 2.855 N/A LEU 188.A N THR 170.A O no hydrogen 2.917 N/A LEU 189.A N ARG 252.A O no hydrogen 2.754 N/A THR 190.A N ILE 168.A O no hydrogen 2.857 N/A THR 190.A OG1 ILE 254.A O no hydrogen 2.726 N/A HIS 191.A N THR 190.A OG1 no hydrogen 2.742 N/A HIS 191.A NE2 ASP 164.A OD2 no hydrogen 2.739 N/A SER 193.A N HIS 191.A ND1 no hydrogen 3.103 N/A SER 193.A OG HIS 191.A ND1 no hydrogen 2.947 N/A PHE 194.A N HIS 191.A O no hydrogen 3.036 N/A SER 196.A N ASP 257.A OD1 no hydrogen 2.874 N/A SER 196.A OG ASP 257.A OD2 no hydrogen 2.535 N/A SER 198.A N THR 195.A OG1 no hydrogen 3.230 N/A THR 199.A OG1 SER 193.A O no hydrogen 2.920 N/A GLN 207.A N LYS 203.A O no hydrogen 2.831 N/A VAL 209.A N LEU 205.A O no hydrogen 3.039 N/A GLU 210.A N HIS 206.A O no hydrogen 2.811 N/A GLN 211.A N GLN 207.A O no hydrogen 3.141 N/A GLN 211.A NE2 GLU 159.A OE1 no hydrogen 2.851 N/A LEU 212.A N VAL 208.A O no hydrogen 3.001 N/A GLN 213.A N VAL 209.A O no hydrogen 2.872 N/A LYS 214.A N GLU 210.A O no hydrogen 2.784 N/A VAL 215.A N GLN 211.A O no hydrogen 3.079 N/A HIS 216.A N GLN 213.A O no hydrogen 2.884 N/A PHE 217.A N LEU 212.A O no hydrogen 2.978 N/A ILE 218.A N LEU 212.A O no hydrogen 3.126 N/A THR 219.A N VAL 232.A O no hydrogen 2.818 N/A THR 219.A OG1 ASP 220.A OD2 no hydrogen 2.547 N/A THR 219.A OG1 VAL 232.A O no hydrogen 3.493 N/A ASP 220.A N VAL 232.A O no hydrogen 3.494 N/A LEU 222.A N MET 230.A O no hydrogen 2.758 N/A SER 223.A N MET 230.A O no hydrogen 3.073 N/A LYS 224.A NZ HIS 206.A ND1 no hydrogen 3.025 N/A GLY 225.A N LYS 228.A O no hydrogen 3.031 N/A PHE 229.A N ILE 251.A O no hydrogen 2.754 N/A MET 230.A N SER 223.A O no hydrogen 2.929 N/A GLY 231.A N ILE 249.A O no hydrogen 2.924 N/A VAL 232.A N ASP 220.A O no hydrogen 2.879 N/A CYS 233.A N ARG 247.A O no hydrogen 2.794 N/A CYS 233.A SG ARG 247.A O no hydrogen 3.845 N/A GLN 234.A N PHE 217.A O no hydrogen 2.878 N/A GLN 234.A NE2 TYR 244.A O no hydrogen 2.857 N/A SER 237.A OG LYS 242.A O no hydrogen 3.153 N/A GLU 241.A N LYS 238.A O no hydrogen 3.327 N/A HIS 246.A N ASP 139.A OD2 no hydrogen 2.979 N/A ARG 247.A N CYS 233.A O no hydrogen 2.688 N/A ARG 247.A NH1 ARG 143.A O no hydrogen 2.911 N/A ARG 247.A NH2 ARG 143.A O no hydrogen 3.219 N/A ARG 247.A NH2 GLU 148.A OE1 no hydrogen 2.839 N/A ARG 248.A NH1 GLY 231.A O no hydrogen 2.826 N/A ARG 248.A NH1 ILE 249.A O no hydrogen 3.220 N/A ARG 248.A NH1 ASP 250.A OD1 no hydrogen 2.893 N/A ARG 248.A NH2 ASP 250.A OD1 no hydrogen 2.821 N/A ARG 248.A NH2 ASP 250.A OD2 no hydrogen 3.438 N/A ILE 249.A N GLY 231.A O no hydrogen 3.091 N/A ASP 250.A N MET 185.A O no hydrogen 2.816 N/A ILE 251.A N PHE 229.A O no hydrogen 2.778 N/A ARG 252.A N VAL 187.A O no hydrogen 2.902 N/A ARG 252.A NE ASP 186.A OD1 no hydrogen 3.441 N/A ARG 252.A NH2 ASP 186.A OD1 no hydrogen 3.098 N/A ARG 252.A NH2 ASP 186.A OD2 no hydrogen 3.309 N/A LEU 253.A N THR 227.A O no hydrogen 2.824 N/A ILE 254.A N LEU 189.A O no hydrogen 2.826 N/A LYS 256.A N PHE 194.A O no hydrogen 2.825 N/A GLN 258.A N PRO 255.A O no hydrogen 2.958 N/A TYR 259.A N LYS 256.A O no hydrogen 3.155 N/A TYR 259.A OH THR 170.A OG1 no hydrogen 2.438 N/A TYR 259.A OH LEU 188.A O no hydrogen 2.862 N/A GLY 262.A N GLN 258.A O no hydrogen 3.018 N/A VAL 263.A N TYR 259.A O no hydrogen 2.823 N/A LEU 264.A N TYR 260.A O no hydrogen 2.833 N/A TYR 265.A N CYS 261.A O no hydrogen 3.070 N/A PHE 266.A N GLY 262.A O no hydrogen 2.834 N/A THR 267.A N LEU 264.A O no hydrogen 3.034 N/A THR 267.A OG1 VAL 263.A O no hydrogen 2.826 N/A GLY 268.A N LEU 264.A O no hydrogen 3.239 N/A SER 269.A N ARG 327.A O no hydrogen 2.965 N/A SER 269.A OG ARG 327.A O no hydrogen 3.161 N/A SER 269.A OG SER 328.A O no hydrogen 2.603 N/A PHE 272.A N SER 269.A OG no hydrogen 3.241 N/A ASN 273.A N SER 269.A O no hydrogen 2.823 N/A ASN 273.A ND2 TYR 265.A O no hydrogen 3.006 N/A LYS 274.A N ASP 270.A O no hydrogen 2.954 N/A ASN 275.A N ILE 271.A O no hydrogen 3.041 N/A MET 276.A N PHE 272.A O no hydrogen 2.827 N/A LYS 277.A N ASN 273.A O no hydrogen 2.844 N/A ALA 278.A N LYS 274.A O no hydrogen 2.907 N/A HIS 279.A N ASN 275.A O no hydrogen 2.895 N/A HIS 279.A NE2 ILE 317.A O no hydrogen 2.885 N/A ALA 280.A N MET 276.A O no hydrogen 2.995 N/A LEU 281.A N LYS 277.A O no hydrogen 3.182 N/A GLU 282.A N ALA 278.A O no hydrogen 3.110 N/A LYS 283.A N HIS 279.A O no hydrogen 3.010 N/A LYS 283.A N ALA 280.A O no hydrogen 3.045 N/A LYS 283.A NZ GLN 318.A OE1 no hydrogen 2.709 N/A GLY 284.A N LEU 281.A O no hydrogen 2.616 N/A PHE 285.A N ALA 280.A O no hydrogen 2.702 N/A THR 286.A N ARG 293.A O no hydrogen 2.812 N/A ASN 288.A N THR 291.A O no hydrogen 3.081 N/A TYR 290.A N ASN 288.A OD1 no hydrogen 2.835 N/A THR 291.A N ASN 288.A OD1 no hydrogen 2.974 N/A ARG 293.A N THR 286.A O no hydrogen 3.056 N/A LEU 295.A N GLY 284.A O no hydrogen 2.766 N/A GLY 296.A N VAL 300.A O no hydrogen 2.951 N/A GLY 299.A N GLY 296.A O no hydrogen 2.975 N/A GLY 302.A N PRO 294.A O no hydrogen 2.932 N/A LEU 305.A N ILE 292.A O no hydrogen 2.900 N/A ASP 308.A N ASP 312.A OD1 no hydrogen 2.856 N/A LYS 311.A NZ ASP 315.A OD1 no hydrogen 3.158 N/A ASP 312.A N SER 309.A O no hydrogen 3.245 N/A ASP 312.A N SER 309.A OG no hydrogen 3.211 N/A ILE 313.A N GLU 310.A O no hydrogen 2.855 N/A PHE 314.A N GLU 310.A O no hydrogen 3.434 N/A ASP 315.A N LYS 311.A O no hydrogen 2.839 N/A TYR 316.A N ASP 312.A O no hydrogen 2.956 N/A TYR 316.A OH PRO 306.A O no hydrogen 2.738 N/A ILE 317.A N PHE 314.A O no hydrogen 3.249 N/A GLN 318.A N ASP 315.A O no hydrogen 3.123 N/A TRP 319.A N PHE 314.A O no hydrogen 2.831 N/A TYR 321.A OH GLU 310.A OE2 no hydrogen 2.978 N/A ARG 322.A NH1 GLU 329.A OXT no hydrogen 3.086 N/A ARG 322.A NH2 GLU 329.A OXT no hydrogen 3.239 N/A ASP 326.A N GLU 323.A O no hydrogen 2.885 N/A ARG 327.A N PRO 324.A O no hydrogen 3.165 N/A ARG 327.A NE ARG 322.A O no hydrogen 2.795 N/A ARG 327.A NH1 GLU 310.A OE1 no hydrogen 2.808 N/A ARG 327.A NH2 GLU 310.A OE2 no hydrogen 3.130 N/A ARG 327.A NH2 ARG 322.A O no hydrogen 2.868 N/A