Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASN 24.A O no hydrogen 3.235 N/A LYS 2.A NZ TYR 25.A OH no hydrogen 3.126 N/A THR 3.A OG1 GLU 56.A O no hydrogen 2.566 N/A ALA 4.A N LYS 26.A O no hydrogen 2.887 N/A ALA 5.A N THR 59.A O no hydrogen 2.944 N/A LEU 6.A N SER 29.A O no hydrogen 2.813 N/A PHE 7.A N ILE 61.A O no hydrogen 2.814 N/A VAL 8.A N TYR 31.A O no hydrogen 2.931 N/A LYS 10.A NZ GLU 13.A OE1 no hydrogen 2.884 N/A PHE 12.A N SER 9.A O no hydrogen 3.192 N/A PHE 12.A N SER 9.A OG no hydrogen 3.321 N/A GLU 13.A N LYS 10.A O no hydrogen 3.177 N/A ALA 16.A N PHE 12.A O no hydrogen 2.940 N/A ILE 17.A N GLU 13.A O no hydrogen 3.101 N/A ALA 18.A N GLU 14.A O no hydrogen 3.443 N/A LEU 19.A N GLU 15.A O no hydrogen 3.176 N/A VAL 20.A N ALA 16.A O no hydrogen 2.741 N/A GLU 21.A N ILE 17.A O no hydrogen 3.010 N/A GLY 22.A N ALA 18.A O no hydrogen 2.902 N/A ALA 23.A N LEU 19.A O no hydrogen 3.001 N/A ASN 24.A N GLU 21.A O no hydrogen 2.951 N/A TYR 25.A N VAL 20.A O no hydrogen 3.131 N/A TYR 25.A OH GLU 92.A OE1 no hydrogen 3.232 N/A TYR 25.A OH GLU 92.A OE2 no hydrogen 2.780 N/A LYS 26.A N LYS 2.A O no hydrogen 2.730 N/A THR 28.A N ALA 4.A O no hydrogen 3.157 N/A THR 28.A OG1 ALA 4.A O no hydrogen 3.406 N/A TYR 31.A N LEU 6.A O no hydrogen 2.695 N/A LEU 33.A N VAL 8.A O no hydrogen 3.012 N/A SER 36.A N PRO 34.A O no hydrogen 2.849 N/A ASN 38.A N TYR 42.A O no hydrogen 2.512 N/A ASN 38.A ND2 ILE 43.A O no hydrogen 3.487 N/A LYS 40.A N ASN 38.A OD1 no hydrogen 2.729 N/A PHE 41.A N ASN 38.A OD1 no hydrogen 3.283 N/A TYR 42.A N ASN 38.A O no hydrogen 2.902 N/A ILE 43.A N PHE 41.A O no hydrogen 2.434 N/A LEU 48.A N GLN 44.A O no hydrogen 2.696 N/A GLN 49.A N TYR 45.A O no hydrogen 2.812 N/A GLN 50.A N ASP 46.A O no hydrogen 3.047 N/A ILE 51.A N LYS 47.A O no hydrogen 3.337 N/A LYS 52.A N LEU 48.A O no hydrogen 2.849 N/A LYS 52.A NZ GLU 77.A OE1 no hydrogen 2.848 N/A ASN 53.A N GLN 49.A O no hydrogen 2.981 N/A ASN 53.A N GLN 50.A O no hydrogen 3.328 N/A GLU 56.A N ASP 54.A OD1 no hydrogen 2.988 N/A ILE 57.A N ASP 54.A O no hydrogen 2.899 N/A SER 58.A N THR 3.A O no hydrogen 3.282 N/A SER 58.A N THR 3.A OG1 no hydrogen 3.384 N/A SER 58.A OG THR 3.A O no hydrogen 2.751 N/A SER 58.A OG THR 59.A OG1 no hydrogen 3.166 N/A THR 59.A N THR 3.A O no hydrogen 3.161 N/A THR 59.A OG1 SER 58.A OG no hydrogen 3.166 N/A LEU 60.A N GLU 82.A O no hydrogen 2.761 N/A ILE 61.A N ALA 5.A O no hydrogen 2.866 N/A ILE 62.A N LEU 84.A O no hydrogen 2.753 N/A PHE 63.A N PHE 7.A O no hydrogen 2.776 N/A GLU 64.A N ILE 62.A O no hydrogen 2.699 N/A GLN 65.A N GLU 64.A OE2 no hydrogen 3.025 N/A LEU 66.A N ASP 85.A OD2 no hydrogen 3.103 N/A ARG 69.A NE VAL 39.A O no hydrogen 2.899 N/A ARG 69.A NH2 VAL 39.A O no hydrogen 3.403 N/A HIS 70.A N LYS 67.A O no hydrogen 2.786 N/A PHE 71.A N LYS 67.A O no hydrogen 3.371 N/A ILE 72.A N PRO 68.A O no hydrogen 2.971 N/A ASN 73.A N ARG 69.A O no hydrogen 3.080 N/A ILE 74.A N HIS 70.A O no hydrogen 2.834 N/A ARG 75.A N PHE 71.A O no hydrogen 2.839 N/A ARG 75.A NH1 GLU 115.A OE1 no hydrogen 2.925 N/A ARG 75.A NH2 GLU 115.A OE1 no hydrogen 3.024 N/A ARG 76.A N ILE 72.A O no hydrogen 3.233 N/A ARG 76.A NH2 GLU 77.A OE2 no hydrogen 3.227 N/A GLU 77.A N ASN 73.A O no hydrogen 3.084 N/A LEU 78.A N ARG 75.A O no hydrogen 3.206 N/A LYS 81.A NZ ILE 51.A O no hydrogen 2.630 N/A LYS 81.A NZ ASP 54.A O no hydrogen 2.555 N/A LYS 81.A NZ ILE 57.A O no hydrogen 3.148 N/A GLU 82.A N SER 58.A O no hydrogen 3.315 N/A LEU 84.A N LEU 60.A O no hydrogen 2.745 N/A LYS 86.A N GLU 64.A O no hydrogen 2.748 N/A LYS 86.A NZ GLY 208.A O no hydrogen 2.671 N/A LEU 88.A N ASP 85.A OD1 no hydrogen 3.082 N/A LEU 89.A N ASP 85.A O no hydrogen 2.968 N/A LEU 90.A N LYS 86.A O no hydrogen 3.054 N/A LEU 91.A N ILE 87.A O no hydrogen 2.975 N/A GLU 92.A N LEU 88.A O no hydrogen 2.952 N/A ILE 93.A N LEU 89.A O no hydrogen 3.079 N/A PHE 94.A N LEU 90.A O no hydrogen 2.865 N/A ALA 95.A N LEU 91.A O no hydrogen 3.023 N/A LEU 96.A N GLU 92.A O no hydrogen 3.144 N/A HIS 97.A N PHE 94.A O no hydrogen 2.914 N/A HIS 97.A ND1 ILE 93.A O no hydrogen 3.124 N/A ALA 98.A N PHE 94.A O no hydrogen 2.712 N/A GLY 99.A N GLU 223.A OE1 no hydrogen 2.866 N/A GLY 99.A N GLU 223.A OE2 no hydrogen 3.158 N/A SER 100.A N GLU 223.A OE2 no hydrogen 2.720 N/A SER 100.A OG GLU 223.A OE2 no hydrogen 2.573 N/A ALA 103.A N SER 100.A OG no hydrogen 3.017 N/A LYS 104.A N SER 100.A O no hydrogen 2.821 N/A MET 105.A N LYS 101.A O no hydrogen 2.775 N/A GLN 106.A N GLU 102.A O no hydrogen 3.053 N/A ILE 107.A N ALA 103.A O no hydrogen 3.133 N/A GLU 108.A N LYS 104.A O no hydrogen 3.021 N/A LEU 109.A N MET 105.A O no hydrogen 2.963 N/A ALA 110.A N GLN 106.A O no hydrogen 3.199 N/A ARG 111.A N ILE 107.A O no hydrogen 2.995 N/A LEU 112.A N GLU 108.A O no hydrogen 2.899 N/A LYS 113.A N LEU 109.A O no hydrogen 2.920 N/A TYR 114.A N ARG 111.A O no hydrogen 3.143 N/A TYR 114.A OH ASP 85.A OD2 no hydrogen 2.693 N/A GLU 115.A N ARG 111.A O no hydrogen 2.935 N/A GLU 115.A N LEU 112.A O no hydrogen 3.082 N/A LEU 116.A N LEU 112.A O no hydrogen 2.742 N/A ILE 119.A N GLU 115.A O no hydrogen 2.847 N/A LYS 120.A N LEU 116.A O no hydrogen 2.732 N/A GLU 121.A N PRO 117.A O no hydrogen 2.872 N/A ILE 127.A N VAL 123.A O no hydrogen 2.838 N/A LYS 128.A N GLU 124.A O no hydrogen 2.756 N/A PHE 129.A N SER 125.A O no hydrogen 3.078 N/A TYR 130.A N THR 126.A O no hydrogen 2.832 N/A LYS 131.A N ILE 127.A O no hydrogen 2.885 N/A ARG 132.A N LYS 128.A O no hydrogen 3.002 N/A ARG 133.A N PHE 129.A O no hydrogen 2.851 N/A ARG 133.A NE GLU 108.A OE2 no hydrogen 3.066 N/A ARG 133.A NH2 GLU 108.A OE2 no hydrogen 3.110 N/A ILE 134.A N TYR 130.A O no hydrogen 2.833 N/A ASN 135.A N LYS 131.A O no hydrogen 3.036 N/A LYS 136.A N ARG 132.A O no hydrogen 3.088 N/A LYS 136.A NZ GLU 140.A OE2 no hydrogen 3.514 N/A LEU 137.A N ARG 133.A O no hydrogen 2.895 N/A MET 138.A N ILE 134.A O no hydrogen 3.022 N/A LYS 139.A N ASN 135.A O no hydrogen 2.960 N/A GLU 140.A N LYS 136.A O no hydrogen 2.876 N/A LEU 141.A N LEU 137.A O no hydrogen 2.803 N/A GLU 142.A N MET 138.A O no hydrogen 2.699 N/A SER 143.A N LYS 139.A O no hydrogen 2.918 N/A SER 143.A OG GLU 140.A O no hydrogen 3.043 N/A ILE 144.A N GLU 140.A O no hydrogen 3.063 N/A LYS 145.A N LEU 141.A O no hydrogen 3.001 N/A ILE 146.A N GLU 142.A O no hydrogen 3.135 N/A PHE 147.A N SER 143.A O no hydrogen 2.813 N/A LYS 148.A N ILE 144.A O no hydrogen 2.922 N/A LYS 148.A NZ GLU 102.A OE1 no hydrogen 2.719 N/A GLU 149.A N LYS 145.A O no hydrogen 3.355 N/A LYS 150.A N ILE 146.A O no hydrogen 3.101 N/A SER 151.A N LYS 148.A O no hydrogen 3.299 N/A SER 151.A OG PHE 147.A O no hydrogen 3.148 N/A SER 151.A OG LYS 148.A O no hydrogen 3.284 N/A SER 162.A N ASP 228.A OD2 no hydrogen 2.654 N/A ILE 163.A N MET 198.A O no hydrogen 2.776 N/A GLY 164.A N ALA 229.A O no hydrogen 3.070 N/A ILE 165.A N VAL 200.A O no hydrogen 2.855 N/A VAL 166.A N ILE 231.A O no hydrogen 2.893 N/A THR 169.A N PHE 205.A O no hydrogen 3.242 N/A THR 169.A OG1 GLU 15.A OE1 no hydrogen 3.476 N/A SER 171.A N TYR 168.A O no hydrogen 3.115 N/A SER 171.A OG TYR 168.A O no hydrogen 2.785 N/A LYS 173.A NZ GLY 167.A O no hydrogen 3.166 N/A LYS 173.A NZ TYR 168.A O no hydrogen 3.102 N/A THR 174.A OG1 ASP 201.A OD2 no hydrogen 3.071 N/A LEU 176.A N GLY 172.A O no hydrogen 2.882 N/A PHE 177.A N LYS 173.A O no hydrogen 3.000 N/A ASN 178.A N THR 174.A O no hydrogen 2.785 N/A SER 179.A N SER 175.A O no hydrogen 2.952 N/A SER 179.A OG SER 175.A O no hydrogen 3.204 N/A SER 179.A OG LEU 176.A O no hydrogen 3.216 N/A LEU 180.A N LEU 176.A O no hydrogen 2.879 N/A THR 181.A N PHE 177.A O no hydrogen 2.922 N/A THR 181.A N ASN 178.A O no hydrogen 3.178 N/A THR 181.A OG1 PHE 177.A O no hydrogen 2.833 N/A THR 181.A OG1 ASN 178.A O no hydrogen 3.517 N/A LEU 183.A N ASN 178.A O no hydrogen 3.147 N/A ARG 187.A N PRO 185.A O no hydrogen 2.776 N/A TYR 188.A N LEU 199.A O no hydrogen 2.758 N/A ILE 190.A N ILE 197.A O no hydrogen 2.784 N/A ILE 192.A N ARG 195.A O no hydrogen 2.982 N/A ARG 195.A N ILE 192.A O no hydrogen 3.229 N/A ILE 197.A N ILE 190.A O no hydrogen 2.929 N/A MET 198.A N PRO 161.A O no hydrogen 2.866 N/A LEU 199.A N TYR 188.A O no hydrogen 2.664 N/A VAL 200.A N ILE 163.A O no hydrogen 3.287 N/A ASP 201.A N LYS 186.A O no hydrogen 2.738 N/A THR 202.A N ILE 165.A O no hydrogen 3.281 N/A PHE 205.A N GLY 167.A O no hydrogen 2.944 N/A ARG 207.A NH1 GLU 15.A OE1 no hydrogen 3.200 N/A ARG 207.A NH1 GLU 15.A OE2 no hydrogen 3.453 N/A ARG 207.A NH1 THR 169.A O no hydrogen 2.950 N/A GLN 212.A N GLN 212.A OE1 no hydrogen 2.873 N/A ILE 213.A N PRO 210.A O no hydrogen 2.961 N/A VAL 214.A N PRO 211.A O no hydrogen 3.178 N/A PHE 217.A N ILE 213.A O no hydrogen 2.930 N/A PHE 218.A N VAL 214.A O no hydrogen 2.713 N/A VAL 219.A N ASP 215.A O no hydrogen 3.062 N/A THR 220.A N ALA 216.A O no hydrogen 3.092 N/A THR 220.A OG1 ALA 216.A O no hydrogen 2.723 N/A LEU 221.A N PHE 217.A O no hydrogen 2.836 N/A SER 222.A N PHE 218.A O no hydrogen 2.818 N/A SER 222.A OG PHE 218.A O no hydrogen 2.749 N/A GLU 223.A N THR 220.A O no hydrogen 3.238 N/A ALA 224.A N LEU 221.A O no hydrogen 2.898 N/A LYS 225.A N SER 222.A O no hydrogen 3.011 N/A TYR 226.A N GLU 223.A O no hydrogen 3.311 N/A SER 227.A N ALA 224.A O no hydrogen 2.918 N/A SER 227.A OG ALA 224.A O no hydrogen 3.277 N/A ASP 228.A N SER 162.A O no hydrogen 2.890 N/A ALA 229.A N SER 162.A O no hydrogen 3.478 N/A LEU 230.A N PRO 263.A O no hydrogen 3.198 N/A ILE 231.A N GLY 164.A O no hydrogen 2.929 N/A LEU 232.A N LEU 265.A O no hydrogen 3.084 N/A VAL 233.A N VAL 166.A O no hydrogen 2.815 N/A ILE 234.A N THR 267.A O no hydrogen 2.856 N/A SER 236.A N ASN 269.A O no hydrogen 2.924 N/A SER 236.A OG ASN 269.A O no hydrogen 2.888 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.147 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 3.071 N/A PHE 238.A N ASP 235.A O no hydrogen 3.125 N/A LEU 243.A N SER 239.A O no hydrogen 2.721 N/A ILE 244.A N GLU 240.A O no hydrogen 2.811 N/A GLU 245.A N ASN 241.A O no hydrogen 3.035 N/A THR 246.A N LEU 242.A O no hydrogen 2.927 N/A THR 246.A OG1 LEU 242.A O no hydrogen 3.250 N/A LEU 247.A N LEU 243.A O no hydrogen 3.204 N/A GLN 248.A N ILE 244.A O no hydrogen 2.966 N/A SER 249.A N GLU 245.A O no hydrogen 2.765 N/A SER 249.A OG GLU 245.A O no hydrogen 3.310 N/A SER 250.A N THR 246.A O no hydrogen 2.738 N/A SER 250.A OG THR 246.A O no hydrogen 2.671 N/A PHE 251.A N LEU 247.A O no hydrogen 3.125 N/A GLU 252.A N GLN 248.A O no hydrogen 2.994 N/A ILE 253.A N SER 249.A O no hydrogen 2.971 N/A LEU 254.A N SER 250.A O no hydrogen 2.971 N/A ARG 255.A N PHE 251.A O no hydrogen 3.014 N/A GLU 256.A N GLU 252.A O no hydrogen 2.838 N/A ILE 257.A N ILE 253.A O no hydrogen 2.834 N/A GLY 258.A N ARG 255.A O no hydrogen 3.126 N/A VAL 259.A N LEU 254.A O no hydrogen 2.822 N/A LYS 262.A N TYR 293.A OH no hydrogen 2.844 N/A LYS 262.A NZ LYS 225.A O no hydrogen 2.725 N/A LYS 262.A NZ SER 227.A O no hydrogen 2.643 N/A ILE 264.A N PRO 295.A O no hydrogen 3.119 N/A LEU 265.A N LEU 230.A O no hydrogen 3.043 N/A VAL 266.A N ASP 298.A O no hydrogen 2.759 N/A THR 267.A N LEU 232.A O no hydrogen 2.775 N/A THR 267.A OG1 LEU 232.A O no hydrogen 3.279 N/A LEU 268.A N ILE 300.A O no hydrogen 2.798 N/A ASN 269.A N ILE 234.A O no hydrogen 2.683 N/A ASN 269.A ND2 SER 171.A O no hydrogen 3.042 N/A LYS 270.A NZ ASN 170.A O no hydrogen 2.526 N/A LYS 270.A NZ ASP 235.A OD2 no hydrogen 3.417 N/A ILE 271.A N ILE 302.A O no hydrogen 3.267 N/A LYS 273.A N LYS 270.A O no hydrogen 3.003 N/A ASP 277.A N ASN 275.A OD1 no hydrogen 3.060 N/A LYS 280.A NZ GLU 240.A OE1 no hydrogen 3.480 N/A LYS 281.A N ASP 277.A O no hydrogen 3.003 N/A LYS 281.A NZ SER 236.A O no hydrogen 2.647 N/A LYS 281.A NZ PHE 238.A O no hydrogen 3.048 N/A LEU 282.A N LEU 278.A O no hydrogen 2.658 N/A ASP 283.A N TYR 279.A O no hydrogen 2.863 N/A LEU 284.A N LYS 280.A O no hydrogen 3.019 N/A VAL 285.A N LYS 281.A O no hydrogen 2.901 N/A GLU 286.A N LEU 282.A O no hydrogen 3.064 N/A LYS 287.A N ASP 283.A O no hydrogen 2.910 N/A LEU 288.A N LEU 284.A O no hydrogen 3.070 N/A SER 289.A N VAL 285.A O no hydrogen 2.991 N/A SER 289.A OG VAL 285.A O no hydrogen 2.691 N/A LYS 290.A N GLU 286.A O no hydrogen 3.138 N/A GLU 291.A N LYS 287.A O no hydrogen 3.072 N/A LEU 292.A N LEU 288.A O no hydrogen 2.948 N/A LEU 292.A N SER 289.A O no hydrogen 3.024 N/A TYR 293.A N SER 289.A O no hydrogen 2.909 N/A TYR 293.A OH LYS 262.A O no hydrogen 2.513 N/A PHE 297.A N ILE 264.A O no hydrogen 2.943 N/A VAL 299.A N ASP 298.A OD1 no hydrogen 2.612 N/A ILE 300.A N VAL 266.A O no hydrogen 2.794 N/A ILE 302.A N LEU 268.A O no hydrogen 2.737 N/A SER 303.A OG ASP 272.A OD1 no hydrogen 2.674 N/A ALA 304.A N ASN 269.A OD1 no hydrogen 2.707 N/A LYS 306.A N SER 303.A OG no hydrogen 3.090 N/A ARG 307.A N SER 303.A O no hydrogen 2.503 N/A ASN 309.A ND2 PRO 301.A O no hydrogen 2.921 N/A GLU 311.A N GLU 311.A OE1 no hydrogen 2.523 N/A LEU 313.A N ASN 309.A O no hydrogen 3.283 N/A ARG 314.A N LEU 310.A O no hydrogen 2.891 N/A ASP 315.A N GLU 311.A O no hydrogen 2.974 N/A LYS 316.A N LEU 312.A O no hydrogen 2.821 N/A LYS 316.A NZ ASP 298.A OD2 no hydrogen 2.699 N/A ILE 317.A N LEU 313.A O no hydrogen 2.801 N/A TYR 318.A N ARG 314.A O no hydrogen 2.742 N/A GLN 319.A N ASP 315.A O no hydrogen 2.723 N/A LEU 320.A N LYS 316.A O no hydrogen 2.731 N/A ALA 321.A N ILE 317.A O no hydrogen 2.825 N/A THR 322.A N TYR 318.A O no hydrogen 2.693 N/A THR 322.A OG1 TYR 318.A O no hydrogen 3.322 N/A GLN 323.A N GLN 319.A O no hydrogen 2.825 N/A LEU 324.A N LEU 320.A O no hydrogen 2.984 N/A SER 325.A N THR 322.A O no hydrogen 3.225 N/A SER 325.A OG THR 322.A O no hydrogen 2.703 N/A