Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ie9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N SER 1.A O no hydrogen 2.990 N/A LEU 6.A N VAL 2.A O no hydrogen 2.873 N/A ALA 7.A N LYS 3.A O no hydrogen 3.080 N/A LYS 8.A N GLU 4.A O no hydrogen 3.305 N/A ALA 9.A N PHE 5.A O no hydrogen 3.004 N/A LYS 10.A N LEU 6.A O no hydrogen 2.850 N/A LYS 10.A NZ SER 146.A O no hydrogen 3.077 N/A LYS 10.A NZ ASP 148.A OD2 no hydrogen 2.693 N/A GLU 11.A N ALA 7.A O no hydrogen 3.183 N/A ASP 12.A N LYS 8.A O no hydrogen 3.082 N/A PHE 13.A N ALA 9.A O no hydrogen 2.987 N/A LEU 14.A N LYS 10.A O no hydrogen 2.912 N/A LYS 15.A N GLU 11.A O no hydrogen 3.339 N/A TRP 17.A N PHE 13.A O no hydrogen 2.815 N/A GLU 18.A N LEU 14.A O no hydrogen 2.925 N/A ASN 19.A N LYS 15.A O no hydrogen 3.257 N/A ALA 21.A N GLN 83.A OE1 no hydrogen 2.920 N/A GLN 22.A NE2 SER 333.A O.A no hydrogen 3.081 N/A GLN 22.A NE2 SER 333.A O.B no hydrogen 3.094 N/A GLN 22.A NE2 PHE 335.A O no hydrogen 2.996 N/A THR 24.A N SER 96.A O no hydrogen 2.887 N/A THR 24.A OG1 SER 96.A O no hydrogen 3.392 N/A HIS 26.A N GLN 29.A OE1 no hydrogen 3.249 N/A GLN 29.A N HIS 26.A O no hydrogen 3.087 N/A PHE 30.A N LEU 27.A O no hydrogen 3.143 N/A GLU 31.A N LYS 48.A O no hydrogen 2.830 N/A ILE 33.A N LEU 46.A O no hydrogen 2.834 N/A LYS 34.A N LEU 46.A O no hydrogen 3.395 N/A LYS 34.A NZ ASP 315.A OD1 no hydrogen 2.610 N/A THR 35.A N GLU 318.A OE2 no hydrogen 2.963 N/A THR 35.A OG1 GLU 318.A OE1 no hydrogen 2.581 N/A LEU 36.A N VAL 44.A O no hydrogen 2.740 N/A GLY 39.A N GLY 42.A O no hydrogen 2.885 N/A GLY 42.A N GLY 39.A O no hydrogen 3.466 N/A ARG 43.A N ILE 60.A O no hydrogen 3.047 N/A ARG 43.A NH1 THR 35.A OG1 no hydrogen 2.932 N/A ARG 43.A NH1 GLU 317.A O no hydrogen 3.119 N/A VAL 44.A N GLY 37.A O no hydrogen 2.910 N/A MET 45.A N MET 58.A O no hydrogen 2.864 N/A LEU 46.A N LYS 34.A O no hydrogen 2.653 N/A VAL 47.A N TYR 56.A O no hydrogen 2.844 N/A LYS 48.A N GLU 31.A O no hydrogen 2.799 N/A HIS 49.A N ASN 54.A O no hydrogen 2.744 N/A MET 50.A N GLN 29.A O no hydrogen 3.167 N/A GLY 53.A N HIS 49.A O no hydrogen 2.724 N/A ASN 54.A N THR 52.A OG1 no hydrogen 3.248 N/A ASN 54.A ND2 TYR 56.A OH no hydrogen 3.314 N/A TYR 56.A N VAL 47.A O no hydrogen 2.939 N/A ALA 57.A N MET 107.A O no hydrogen 2.877 N/A MET 58.A N MET 45.A O no hydrogen 2.758 N/A LYS 59.A N MET 105.A O no hydrogen 2.761 N/A LYS 59.A NZ GLU 78.A OE2 no hydrogen 2.770 N/A ILE 60.A N ARG 43.A O no hydrogen 2.755 N/A LEU 61.A N LEU 103.A O no hydrogen 2.900 N/A ASP 62.A N PHE 41.A O no hydrogen 2.745 N/A LYS 63.A N SER 101.A O no hydrogen 3.117 N/A LYS 63.A NZ ASP 99.A O no hydrogen 2.807 N/A LYS 63.A NZ ASN 100.A O no hydrogen 3.191 N/A LYS 63.A NZ LYS 327.A O no hydrogen 2.816 N/A LYS 65.A N ASP 62.A OD1 no hydrogen 3.296 N/A VAL 66.A N ASP 62.A O no hydrogen 2.955 N/A VAL 67.A N LYS 63.A O no hydrogen 2.950 N/A LYS 68.A N GLN 64.A O no hydrogen 3.036 N/A LEU 69.A N LYS 65.A O no hydrogen 3.070 N/A LYS 70.A N VAL 67.A O no hydrogen 2.991 N/A GLN 71.A N VAL 66.A O no hydrogen 3.055 N/A GLN 71.A NE2 LEU 69.A O no hydrogen 3.198 N/A HIS 74.A ND1 GLN 71.A OE1 no hydrogen 2.610 N/A THR 75.A N GLN 71.A O no hydrogen 2.961 N/A THR 75.A N ILE 72.A O no hydrogen 3.186 N/A THR 75.A OG1 GLN 71.A O no hydrogen 2.886 N/A LEU 76.A N ILE 72.A O no hydrogen 3.087 N/A ASN 77.A N GLU 73.A O no hydrogen 2.926 N/A ASN 77.A ND2 ALA 175.A O no hydrogen 3.524 N/A GLU 78.A N HIS 74.A O no hydrogen 2.942 N/A LYS 79.A N THR 75.A O no hydrogen 3.218 N/A LYS 79.A NZ ALA 21.A O no hydrogen 2.939 N/A LYS 79.A NZ GLU 334.A O no hydrogen 3.535 N/A LYS 79.A NZ PHE 335.A OXT no hydrogen 2.796 N/A ARG 80.A N LEU 76.A O no hydrogen 3.037 N/A ARG 80.A NE TRP 17.A O no hydrogen 2.949 N/A ARG 80.A NH2 TRP 17.A O no hydrogen 2.909 N/A ILE 81.A N ASN 77.A O no hydrogen 2.867 N/A LEU 82.A N GLU 78.A O no hydrogen 2.951 N/A GLN 83.A N LYS 79.A O no hydrogen 3.024 N/A GLN 83.A NE2 LYS 16.A O no hydrogen 2.947 N/A GLN 83.A NE2 ARG 80.A O no hydrogen 2.794 N/A ALA 84.A N ILE 81.A O no hydrogen 2.899 N/A VAL 85.A N ILE 81.A O no hydrogen 3.076 N/A ASN 86.A N TYR 143.A OH no hydrogen 2.900 N/A LEU 90.A N PHE 87.A O no hydrogen 3.202 N/A VAL 91.A N VAL 169.A O no hydrogen 2.988 N/A GLU 94.A N VAL 106.A O no hydrogen 2.695 N/A PHE 95.A N VAL 106.A O no hydrogen 3.183 N/A SER 96.A N THR 24.A OG1 no hydrogen 3.045 N/A PHE 97.A N TYR 104.A O no hydrogen 3.191 N/A LYS 98.A NZ PHE 332.A O no hydrogen 2.813 N/A LYS 98.A NZ PHE 335.A O no hydrogen 2.799 N/A ASP 99.A N ASN 102.A O no hydrogen 3.059 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.889 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 2.894 N/A ASN 102.A ND2 TYR 104.A OH no hydrogen 2.944 N/A LEU 103.A N LEU 61.A O no hydrogen 2.846 N/A TYR 104.A N PHE 97.A O no hydrogen 2.772 N/A TYR 104.A OH ASP 99.A OD2 no hydrogen 2.575 N/A MET 105.A N LYS 59.A O no hydrogen 2.994 N/A VAL 106.A N PHE 95.A O no hydrogen 2.833 N/A MET 107.A N ALA 57.A O no hydrogen 2.819 N/A GLU 108.A N LYS 92.A O no hydrogen 2.945 N/A TYR 109.A OH ASP 309.A O no hydrogen 2.643 N/A MET 115.A N LEU 159.A O no hydrogen 2.734 N/A PHE 116.A N PRO 156.A O no hydrogen 3.099 N/A HIS 118.A N GLU 114.A O no hydrogen 3.440 N/A HIS 118.A NE2 GLY 112.A O no hydrogen 2.610 N/A LEU 119.A N MET 115.A O no hydrogen 2.785 N/A ARG 120.A N PHE 116.A O no hydrogen 3.049 N/A ARG 120.A NH1 GLU 216.A OE2 no hydrogen 3.002 N/A ARG 120.A NH2 GLU 216.A OE2 no hydrogen 2.850 N/A ARG 121.A N SER 117.A O no hydrogen 3.135 N/A ARG 121.A NH1 HIS 118.A ND1 no hydrogen 3.334 N/A ARG 121.A NH2 HIS 118.A ND1 no hydrogen 2.820 N/A ILE 122.A N HIS 118.A O no hydrogen 2.982 N/A GLY 123.A N LEU 119.A O no hydrogen 2.805 N/A PHE 125.A N MET 217.A O no hydrogen 2.761 N/A HIS 129.A N SER 126.A OG no hydrogen 3.245 N/A HIS 129.A NE2 TYR 133.A OH no hydrogen 2.940 N/A ALA 130.A N SER 126.A O no hydrogen 2.880 N/A ARG 131.A N GLU 127.A O no hydrogen 2.788 N/A ARG 131.A NE TRP 282.A O no hydrogen 2.682 N/A ARG 131.A NH2 TRP 282.A O no hydrogen 3.195 N/A PHE 132.A N PRO 128.A O no hydrogen 3.055 N/A TYR 133.A N HIS 129.A O no hydrogen 3.375 N/A TYR 133.A OH HIS 129.A NE2 no hydrogen 2.940 N/A ALA 134.A N ALA 130.A O no hydrogen 2.820 N/A ALA 135.A N ARG 131.A O no hydrogen 2.909 N/A GLN 136.A NE2 PHE 132.A O no hydrogen 3.067 N/A ILE 137.A N TYR 133.A O no hydrogen 3.215 N/A VAL 138.A N ALA 134.A O no hydrogen 2.902 N/A LEU 139.A N ALA 135.A O no hydrogen 3.100 N/A THR 140.A N GLN 136.A O no hydrogen 3.017 N/A THR 140.A OG1 GLN 136.A O no hydrogen 2.673 N/A PHE 141.A N ILE 137.A O no hydrogen 2.863 N/A GLU 142.A N VAL 138.A O no hydrogen 2.941 N/A TYR 143.A N LEU 139.A O no hydrogen 2.962 N/A LEU 144.A N THR 140.A O no hydrogen 2.826 N/A HIS 145.A N PHE 141.A O no hydrogen 2.784 N/A HIS 145.A NE2 ASP 206.A OD2 no hydrogen 2.746 N/A SER 146.A N GLU 142.A O no hydrogen 3.162 N/A SER 146.A OG GLU 142.A O no hydrogen 3.536 N/A SER 146.A OG TYR 143.A O no hydrogen 2.593 N/A LEU 147.A N LEU 144.A O no hydrogen 3.024 N/A ASP 148.A N HIS 145.A O no hydrogen 3.038 N/A LEU 149.A N LEU 144.A O no hydrogen 2.981 N/A ILE 150.A N LYS 176.A O no hydrogen 2.962 N/A TYR 151.A N ASP 206.A OD2 no hydrogen 2.800 N/A TYR 151.A OH THR 170.A O no hydrogen 2.614 N/A TYR 151.A OH ASP 171.A O no hydrogen 3.344 N/A ARG 152.A N ASP 206.A OD1 no hydrogen 2.876 N/A ARG 152.A NE PHE 174.A O no hydrogen 2.741 N/A ARG 152.A NH1 TYR 201.A OH no hydrogen 2.988 N/A ARG 152.A NH2 PHE 174.A O no hydrogen 2.903 N/A LYS 155.A NZ THR 187.A OG1 no hydrogen 2.720 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.725 N/A ASN 158.A N LYS 155.A O no hydrogen 3.006 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.788 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 3.072 N/A LEU 159.A N PRO 156.A O no hydrogen 3.255 N/A LEU 160.A N GLN 168.A O no hydrogen 2.823 N/A ILE 161.A N GLY 113.A O no hydrogen 2.919 N/A ASP 162.A N TYR 166.A O no hydrogen 2.875 N/A GLN 164.A N ASP 162.A OD1 no hydrogen 2.974 N/A GLY 165.A N ASP 162.A O no hydrogen 2.913 N/A TYR 166.A N ASP 162.A OD1 no hydrogen 2.943 N/A TYR 166.A OH VAL 296.A O no hydrogen 2.604 N/A ILE 167.A N GLN 136.A OE1 no hydrogen 2.743 N/A GLN 168.A N LEU 160.A O no hydrogen 2.771 N/A GLN 168.A NE2 PRO 88.A O no hydrogen 2.762 N/A GLN 168.A NE2 ILE 167.A O no hydrogen 3.518 N/A VAL 169.A N PHE 89.A O no hydrogen 2.694 N/A THR 170.A N ASN 158.A O no hydrogen 2.990 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.087 N/A ALA 175.A N PHE 172.A O no hydrogen 3.061 N/A LYS 176.A N ILE 150.A O no hydrogen 3.112 N/A ARG 177.A NE LEU 147.A O no hydrogen 2.842 N/A ARG 177.A NH2 ASP 148.A OD2 no hydrogen 3.074 N/A VAL 178.A N ASP 148.A O no hydrogen 2.890 N/A LYS 179.A NZ ASP 148.A OD2 no hydrogen 3.180 N/A THR 182.A N TYR 201.A O no hydrogen 2.846 N/A THR 187.A OG1 ASP 153.A OD1 no hydrogen 2.980 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.720 N/A TYR 190.A N THR 187.A O no hydrogen 2.888 N/A TYR 190.A OH GLU 216.A OE1 no hydrogen 2.630 N/A LEU 191.A N PRO 188.A O no hydrogen 3.263 N/A GLU 194.A N GLU 194.A OE2 no hydrogen 2.967 N/A ILE 195.A N ALA 192.A O no hydrogen 3.049 N/A ILE 196.A N ALA 192.A O no hydrogen 3.439 N/A LEU 197.A N PRO 193.A O no hydrogen 2.890 N/A SER 198.A N ILE 195.A O no hydrogen 3.228 N/A LYS 199.A N GLU 194.A O no hydrogen 3.092 N/A TYR 201.A N THR 182.A O no hydrogen 2.793 N/A LYS 203.A NZ VAL 178.A O no hydrogen 2.817 N/A ALA 204.A N ASN 202.A OD1 no hydrogen 3.133 N/A VAL 205.A N ASN 202.A O no hydrogen 3.199 N/A ASP 206.A N LYS 203.A O no hydrogen 3.035 N/A TRP 208.A N ALA 204.A O no hydrogen 3.044 N/A ALA 209.A N VAL 205.A O no hydrogen 2.995 N/A LEU 210.A N ASP 206.A O no hydrogen 2.921 N/A GLY 211.A N TRP 207.A O no hydrogen 3.237 N/A VAL 212.A N TRP 208.A O no hydrogen 3.143 N/A LEU 213.A N ALA 209.A O no hydrogen 2.956 N/A ILE 214.A N LEU 210.A O no hydrogen 2.905 N/A TYR 215.A N GLY 211.A O no hydrogen 3.010 N/A TYR 215.A OH ARG 242.A O no hydrogen 2.640 N/A GLU 216.A N VAL 212.A O no hydrogen 2.844 N/A MET 217.A N LEU 213.A O no hydrogen 2.811 N/A ALA 218.A N ILE 214.A O no hydrogen 3.010 N/A ALA 219.A N TYR 215.A O no hydrogen 2.729 N/A GLY 220.A N GLU 216.A O no hydrogen 2.785 N/A GLN 228.A N GLN 231.A OE1 no hydrogen 3.185 N/A GLN 231.A N GLN 228.A O no hydrogen 2.942 N/A ILE 232.A N GLN 228.A O no hydrogen 3.241 N/A TYR 233.A N PRO 229.A O no hydrogen 2.885 N/A GLU 234.A N ILE 230.A O no hydrogen 3.120 N/A LYS 235.A N GLN 231.A O no hydrogen 3.283 N/A ILE 236.A N ILE 232.A O no hydrogen 3.024 N/A VAL 237.A N TYR 233.A O no hydrogen 3.010 N/A SER 238.A N GLU 234.A O no hydrogen 3.287 N/A SER 238.A OG LYS 235.A O no hydrogen 2.753 N/A GLY 239.A N LYS 235.A O no hydrogen 3.087 N/A LYS 240.A N SER 238.A OG no hydrogen 3.300 N/A PHE 247.A N PRO 244.A O no hydrogen 3.075 N/A SER 248.A N GLU 127.A OE2 no hydrogen 2.808 N/A SER 248.A OG GLU 127.A OE1 no hydrogen 2.714 N/A SER 248.A OG GLU 127.A OE2 no hydrogen 3.526 N/A LEU 251.A N SER 248.A OG no hydrogen 3.132 N/A LYS 252.A N SER 248.A O no hydrogen 3.162 N/A ASP 253.A N SER 249.A O no hydrogen 3.086 N/A LEU 254.A N ASP 250.A O no hydrogen 2.942 N/A LEU 255.A N LEU 251.A O no hydrogen 2.910 N/A ARG 256.A N LYS 252.A O no hydrogen 2.874 N/A ASN 257.A N ASP 253.A O no hydrogen 3.226 N/A LEU 258.A N LEU 254.A O no hydrogen 3.036 N/A LEU 259.A N LEU 255.A O no hydrogen 2.779 N/A ASP 262.A N GLN 260.A OE1 no hydrogen 2.911 N/A THR 264.A N ASP 262.A OD1 no hydrogen 3.035 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.734 N/A LYS 265.A N ASP 262.A O no hydrogen 2.858 N/A ARG 266.A N ASP 262.A O no hydrogen 2.960 N/A ARG 266.A NE GLN 260.A O no hydrogen 2.813 N/A ARG 266.A NH1 GLU 194.A OE1 no hydrogen 2.917 N/A ARG 266.A NH1 GLU 194.A OE2 no hydrogen 3.526 N/A ARG 266.A NH1 ALA 204.A O no hydrogen 3.067 N/A ARG 266.A NH2 GLU 194.A OE1 no hydrogen 3.559 N/A ARG 266.A NH2 GLU 194.A OE2 no hydrogen 2.694 N/A ARG 266.A NH2 GLN 260.A O no hydrogen 2.979 N/A PHE 267.A N ASN 257.A O no hydrogen 2.950 N/A ASN 269.A N ARG 266.A O no hydrogen 2.946 N/A ASN 269.A ND2 LEU 263.A O no hydrogen 2.829 N/A GLY 273.A N LEU 270.A O no hydrogen 2.877 N/A ASN 275.A N ASN 272.A O no hydrogen 3.129 N/A ILE 277.A N VAL 274.A O no hydrogen 2.906 N/A LYS 278.A N VAL 274.A O no hydrogen 2.932 N/A LYS 278.A NZ GLU 142.A OE1 no hydrogen 2.970 N/A LYS 278.A NZ GLU 142.A OE2 no hydrogen 3.310 N/A ASN 279.A N ASN 275.A O no hydrogen 2.849 N/A HIS 280.A N ILE 277.A O no hydrogen 3.065 N/A HIS 280.A NE2 ASP 253.A OD1 no hydrogen 2.737 N/A TRP 282.A N HIS 280.A ND1 no hydrogen 2.886 N/A TRP 282.A NE1 GLU 127.A OE1 no hydrogen 2.805 N/A PHE 283.A N HIS 280.A O no hydrogen 3.065 N/A ALA 284.A N LYS 281.A O no hydrogen 2.966 N/A THR 286.A N PHE 283.A O no hydrogen 2.768 N/A TRP 288.A NE1 LYS 278.A O no hydrogen 3.193 N/A ALA 290.A N ASP 287.A OD1 no hydrogen 3.368 N/A ILE 291.A N ASP 287.A O no hydrogen 2.981 N/A TYR 292.A N TRP 288.A O no hydrogen 3.062 N/A GLN 293.A N ILE 289.A O no hydrogen 2.870 N/A ARG 294.A N ILE 291.A O no hydrogen 2.970 N/A ARG 294.A NH1 ASP 162.A OD2 no hydrogen 2.907 N/A ARG 294.A NH1 GLN 164.A OE1 no hydrogen 3.191 N/A ARG 294.A NH2 PRO 88.A O no hydrogen 3.567 N/A ARG 294.A NH2 ASP 162.A OD2 no hydrogen 2.532 N/A LYS 295.A N ALA 290.A O no hydrogen 2.915 N/A LYS 303.A NZ LYS 303.A O no hydrogen 3.061 N/A LYS 303.A NZ ASP 309.A OD2 no hydrogen 3.383 N/A LYS 303.A NZ SER 311.A OG no hydrogen 2.720 N/A LYS 303.A NZ ASN 312.A OD1 no hydrogen 3.345 N/A ASP 309.A N GLY 306.A O no hydrogen 3.176 N/A SER 311.A N ASP 309.A OD1 no hydrogen 3.098 N/A SER 311.A OG ASP 309.A OD1 no hydrogen 2.542 N/A SER 311.A OG ASP 309.A OD2 no hydrogen 3.138 N/A ASN 312.A ND2 PRO 111.A O no hydrogen 3.131 N/A ASN 312.A ND2 LYS 303.A O no hydrogen 2.902 N/A PHE 313.A N THR 310.A O no hydrogen 2.838 N/A LYS 327.A N ASN 100.A O no hydrogen 2.885 N/A GLU 331.A N GLU 331.A OE1 no hydrogen 2.721 N/A PHE 332.A N CYS 328.A O no hydrogen 3.352 N/A SER 333.A N.A LYS 330.A O no hydrogen 3.365 N/A SER 333.A N.B LYS 330.A O no hydrogen 3.362 N/A SER 333.A OG.A LYS 330.A O no hydrogen 3.286 N/A PHE 335.A N PHE 332.A O no hydrogen 3.001 N/A