Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N SER 1.A OG no hydrogen 3.016 N/A TYR 8.A OH GLN 229.A OE1 no hydrogen 2.712 N/A TRP 10.A N ASN 242.A O no hydrogen 2.941 N/A TRP 10.A NE1 PHE 237.A O no hydrogen 2.798 N/A THR 11.A N THR 299.A O no hydrogen 2.998 N/A SER 12.A OG SER 13.A O no hydrogen 2.799 N/A SER 12.A OG TYR 276.A OH no hydrogen 2.756 N/A SER 13.A N LEU 297.A O no hydrogen 2.898 N/A SER 13.A OG ALA 14.A O no hydrogen 2.743 N/A LEU 16.A N PRO 295.A O no hydrogen 2.798 N/A LYS 20.A N GLN 69.A OE1 no hydrogen 2.905 N/A LYS 20.A NZ GLN 69.A O no hydrogen 2.926 N/A TRP 23.A N LYS 20.A O no hydrogen 2.968 N/A VAL 24.A N.A HIS 45.A O no hydrogen 2.787 N/A VAL 24.A N.B HIS 45.A O no hydrogen 2.762 N/A SER 25.A N HIS 45.A O no hydrogen 3.299 N/A LEU 26.A N TYR 293.A O no hydrogen 3.154 N/A LYS 27.A N SER 43.A O no hydrogen 2.902 N/A LYS 27.A NZ TYR 50.A OH.A no hydrogen 3.158 N/A LYS 27.A NZ TYR 288.A OH no hydrogen 2.896 N/A ASP 28.A N GLN 277.A OE1 no hydrogen 2.941 N/A THR 30.A N TYR 41.A O no hydrogen 2.929 N/A HIS 31.A N ASP 255.A OD2 no hydrogen 2.975 N/A HIS 31.A NE2 HIS 38.A ND1 no hydrogen 2.785 N/A VAL 32.A N LEU 39.A O no hydrogen 2.896 N/A TYR 34.A N GLN 37.A O no hydrogen 2.886 N/A GLN 37.A N TYR 34.A O no hydrogen 2.903 N/A HIS 38.A N PHE 58.A O no hydrogen 2.813 N/A HIS 38.A ND1 HIS 31.A NE2 no hydrogen 2.785 N/A LEU 39.A N VAL 32.A O no hydrogen 2.951 N/A TYR 41.A N THR 30.A O no hydrogen 2.988 N/A TYR 41.A OH PRO 109.A O no hydrogen 2.632 N/A ALA 42.A N MET 53.A O no hydrogen 2.930 N/A SER 43.A N LYS 27.A O no hydrogen 2.854 N/A SER 43.A OG ASP 28.A OD2 no hydrogen 2.726 N/A TYR 44.A N GLY 51.A O no hydrogen 2.902 N/A HIS 45.A N SER 25.A O no hydrogen 3.246 N/A ASP 46.A N LYS 49.A O.A no hydrogen 2.977 N/A ASP 46.A N LYS 49.A O.B no hydrogen 2.978 N/A THR 48.A N ASP 46.A OD1 no hydrogen 2.850 N/A LYS 49.A N.A ASP 46.A OD1 no hydrogen 2.833 N/A LYS 49.A N.B ASP 46.A OD1 no hydrogen 2.832 N/A LYS 49.A NZ.A ASP 46.A OD2 no hydrogen 2.842 N/A LYS 49.A NZ.B TYR 50.A O.A no hydrogen 2.638 N/A LYS 49.A NZ.B TYR 50.A O.B no hydrogen 2.740 N/A TYR 50.A OH.A ASP 289.A OD1 no hydrogen 3.360 N/A TYR 50.A OH.B ASP 289.A OD1 no hydrogen 2.741 N/A GLY 51.A N TYR 44.A O no hydrogen 2.897 N/A MET 53.A N ALA 42.A O no hydrogen 2.902 N/A ALA 54.A N THR 70.A O no hydrogen 3.053 N/A PHE 55.A N VAL 40.A O no hydrogen 3.036 N/A SER 56.A N THR 68.A O.A no hydrogen 2.851 N/A SER 56.A N THR 68.A O.B no hydrogen 2.856 N/A SER 56.A OG THR 68.A OG1.B no hydrogen 3.327 N/A PHE 58.A N HIS 38.A O no hydrogen 3.186 N/A LYS 59.A NZ.A GLY 36.A O no hydrogen 2.810 N/A HIS 60.A N ASP 63.A OD2.A no hydrogen 2.858 N/A TRP 61.A N GLU 312.A OE2 no hydrogen 2.995 N/A ASP 63.A N HIS 60.A O no hydrogen 2.864 N/A MET 64.A N TRP 61.A O no hydrogen 3.097 N/A THR 66.A N ASP 63.A O no hydrogen 3.233 N/A THR 66.A OG1 ASP 63.A O no hydrogen 3.468 N/A ALA 67.A N ASP 63.A O no hydrogen 3.137 N/A ALA 67.A N MET 64.A O no hydrogen 3.291 N/A THR 68.A N.A SER 56.A OG no hydrogen 2.841 N/A THR 68.A N.B SER 56.A OG no hydrogen 2.851 N/A GLN 69.A NE2 GLN 18.A O no hydrogen 2.884 N/A THR 70.A N ALA 54.A O no hydrogen 2.972 N/A MET 72.A N SER 52.A O no hydrogen 2.814 N/A ALA 76.A N SER 52.A OG no hydrogen 2.759 N/A ALA 78.A N SER 43.A OG no hydrogen 2.864 N/A THR 80.A N VAL 93.A O no hydrogen 2.817 N/A THR 80.A OG1 GLN 136.A O no hydrogen 3.308 N/A THR 80.A OG1 GLN 136.A OE1 no hydrogen 2.725 N/A VAL 81.A N THR 30.A OG1 no hydrogen 3.141 N/A PHE 82.A N PHE 91.A O no hydrogen 3.148 N/A TYR 83.A N PRO 261.A O no hydrogen 2.816 N/A PHE 84.A N LEU 89.A O no hydrogen 2.842 N/A THR 85.A N.A GLN 263.A OE1 no hydrogen 2.886 N/A THR 85.A N.B GLN 263.A OE1 no hydrogen 2.883 N/A THR 85.A OG1.A GLN 263.A OE1 no hydrogen 3.454 N/A THR 85.A OG1.B GLN 263.A OE1 no hydrogen 3.389 N/A LYS 87.A N PHE 84.A O no hydrogen 3.017 N/A LYS 87.A NZ PHE 166.A O no hydrogen 2.891 N/A LYS 88.A N THR 85.A O.A no hydrogen 2.997 N/A LYS 88.A N THR 85.A O.B no hydrogen 2.976 N/A LYS 88.A NZ THR 85.A O.A no hydrogen 2.870 N/A LYS 88.A NZ THR 85.A O.B no hydrogen 2.880 N/A TRP 90.A N SER 106.A O.A no hydrogen 2.919 N/A TRP 90.A N SER 106.A O.B no hydrogen 2.906 N/A PHE 91.A N PHE 82.A O no hydrogen 2.816 N/A LEU 92.A N ARG 104.A O.A no hydrogen 2.909 N/A LEU 92.A N ARG 104.A O.B no hydrogen 2.921 N/A VAL 93.A N THR 80.A O no hydrogen 2.895 N/A SER 94.A N THR 102.A O no hydrogen 3.106 N/A GLN 95.A N VAL 77.A O no hydrogen 3.125 N/A TRP 96.A N PRO 100.A O no hydrogen 3.042 N/A PHE 101.A N PHE 122.A O no hydrogen 3.240 N/A THR 102.A N SER 94.A O no hydrogen 2.943 N/A TYR 103.A N GLN 119.A O no hydrogen 2.921 N/A ARG 104.A N.A LEU 92.A O no hydrogen 2.951 N/A ARG 104.A N.B LEU 92.A O no hydrogen 2.976 N/A ARG 104.A NH1.A GLN 74.A O no hydrogen 3.197 N/A ARG 104.A NH2.A ALA 75.A O no hydrogen 3.518 N/A THR 105.A N SER 116.A OG no hydrogen 2.845 N/A THR 105.A OG1 SER 116.A OG no hydrogen 3.339 N/A SER 106.A N.A TRP 90.A O no hydrogen 3.007 N/A SER 106.A N.B TRP 90.A O no hydrogen 2.995 N/A SER 106.A OG.A ASP 108.A O no hydrogen 2.796 N/A ASP 108.A N SER 106.A OG.A no hydrogen 2.924 N/A THR 110.A N ASP 108.A OD1 no hydrogen 2.971 N/A THR 110.A OG1 ASP 108.A OD1 no hydrogen 2.725 N/A THR 110.A OG1 ASP 108.A OD2 no hydrogen 3.507 N/A LYS 111.A N ASP 108.A O no hydrogen 3.141 N/A GLY 114.A N LYS 111.A O no hydrogen 2.990 N/A TRP 115.A NE1 TYR 41.A OH no hydrogen 2.964 N/A SER 116.A N THR 105.A O no hydrogen 2.921 N/A SER 116.A OG THR 105.A OG1 no hydrogen 3.339 N/A SER 116.A OG ALA 117.A O no hydrogen 3.383 N/A GLN 119.A N TYR 103.A O no hydrogen 2.936 N/A LEU 121.A N PHE 101.A O no hydrogen 2.821 N/A PHE 122.A N PHE 101.A O no hydrogen 3.136 N/A THR 123.A N GLY 171.A O no hydrogen 2.970 N/A THR 123.A OG1 GLY 171.A O no hydrogen 3.391 N/A SER 129.A OG ALA 151.A O no hydrogen 2.720 N/A THR 131.A N SER 129.A OG no hydrogen 3.184 N/A THR 131.A OG1 SER 129.A OG no hydrogen 3.242 N/A THR 131.A OG1 GLY 132.A O no hydrogen 2.890 N/A THR 131.A OG1 ALA 151.A O no hydrogen 3.221 N/A GLY 132.A N SER 129.A OG no hydrogen 2.887 N/A ILE 134.A N VAL 150.A O no hydrogen 2.876 N/A ASP 135.A N GLN 95.A OE1 no hydrogen 2.834 N/A THR 137.A N PHE 148.A O no hydrogen 2.898 N/A ILE 139.A N TYR 146.A O.A no hydrogen 3.030 N/A ILE 139.A N TYR 146.A O.B no hydrogen 3.090 N/A ALA 140.A N GLN 263.A O no hydrogen 2.894 N/A ASP 141.A N LYS 144.A O no hydrogen 3.048 N/A ARG 143.A N ASP 141.A OD1 no hydrogen 2.804 N/A ARG 143.A NH1 ASP 223.A OD2 no hydrogen 3.235 N/A ARG 143.A NH2 ASP 141.A OD2 no hydrogen 2.909 N/A ARG 143.A NH2 ASP 223.A OD1 no hydrogen 3.429 N/A LYS 144.A N ASP 141.A OD1 no hydrogen 2.862 N/A LYS 144.A NZ TYR 146.A OH.A no hydrogen 2.826 N/A LYS 144.A NZ ASP 223.A OD2 no hydrogen 3.030 N/A VAL 145.A N MET 161.A O no hydrogen 2.883 N/A TYR 146.A N.A ILE 139.A O no hydrogen 2.775 N/A TYR 146.A N.B ILE 139.A O no hydrogen 2.775 N/A TYR 146.A OH.B ASP 141.A OD2 no hydrogen 2.824 N/A LEU 147.A N THR 159.A O no hydrogen 2.939 N/A PHE 148.A N THR 137.A O no hydrogen 3.010 N/A PHE 149.A N TYR 157.A O no hydrogen 3.010 N/A VAL 150.A N ILE 134.A O no hydrogen 3.120 N/A ASP 152.A N PHE 186.A O no hydrogen 3.196 N/A ASN 153.A ND2 ALA 127.A O no hydrogen 3.354 N/A ASN 153.A ND2 ASP 128.A O no hydrogen 3.203 N/A ASN 153.A ND2 TYR 157.A OH no hydrogen 2.979 N/A LYS 155.A N.A ASN 153.A OD1 no hydrogen 3.125 N/A LYS 155.A N.B ASN 153.A OD1 no hydrogen 3.125 N/A LYS 155.A NZ.A ASN 153.A O no hydrogen 2.865 N/A LYS 155.A NZ.B SER 179.A OG no hydrogen 3.338 N/A VAL 156.A N LEU 178.A O no hydrogen 3.027 N/A TYR 157.A N PHE 149.A O no hydrogen 2.875 N/A ARG 158.A N GLU 175.A O no hydrogen 2.929 N/A THR 159.A N LEU 147.A O no hydrogen 2.928 N/A THR 159.A OG1 ALA 173.A O no hydrogen 3.458 N/A MET 161.A N VAL 145.A O no hydrogen 2.920 N/A ILE 163.A N ARG 143.A O no hydrogen 2.900 N/A ASP 165.A N ALA 162.A O no hydrogen 2.948 N/A PHE 166.A N ILE 163.A O no hydrogen 3.371 N/A ASN 169.A ND2 THR 123.A OG1 no hydrogen 3.075 N/A PHE 170.A N LEU 121.A O no hydrogen 2.818 N/A GLY 171.A N ASN 169.A OD1 no hydrogen 2.909 N/A GLU 175.A N ARG 158.A O no hydrogen 2.988 N/A ILE 177.A N VAL 156.A O no hydrogen 2.843 N/A ASP 180.A N GLY 154.A O no hydrogen 2.808 N/A THR 181.A N ASP 180.A OD1 no hydrogen 2.756 N/A GLN 182.A NE2 ASP 152.A O no hydrogen 2.949 N/A LYS 184.A N THR 181.A O no hydrogen 3.006 N/A LYS 184.A N THR 181.A OG1 no hydrogen 3.189 N/A LYS 184.A NZ TYR 213.A OH no hydrogen 2.939 N/A LYS 184.A NZ GLY 231.A O no hydrogen 3.085 N/A LEU 185.A N THR 181.A O no hydrogen 3.314 N/A PHE 186.A N GLU 205.A O no hydrogen 2.976 N/A GLU 187.A N GLU 205.A O no hydrogen 3.103 N/A ALA 188.A N ASP 135.A OD2 no hydrogen 2.862 N/A GLN 190.A N ILE 203.A O no hydrogen 2.903 N/A TYR 192.A N LEU 201.A O no hydrogen 2.813 N/A TYR 192.A OH ASP 255.A OD1 no hydrogen 2.628 N/A THR 193.A N MET 265.A O no hydrogen 3.009 N/A THR 193.A OG1 THR 264.A O no hydrogen 2.643 N/A VAL 194.A N GLN 199.A O no hydrogen 2.991 N/A ALA 195.A N ILE 267.A O no hydrogen 2.907 N/A GLN 197.A N VAL 194.A O no hydrogen 3.165 N/A TYR 200.A N ALA 219.A O no hydrogen 2.973 N/A LEU 201.A N TYR 192.A O no hydrogen 2.967 N/A MET 202.A N PHE 217.A O no hydrogen 2.853 N/A ILE 203.A N GLN 190.A O no hydrogen 2.902 N/A VAL 204.A N ARG 215.A O no hydrogen 2.904 N/A GLU 205.A N GLU 187.A O no hydrogen 2.858 N/A ALA 206.A N TYR 213.A O no hydrogen 2.802 N/A GLN 207.A N.A ALA 183.A O no hydrogen 2.861 N/A GLN 207.A N.B ALA 183.A O no hydrogen 2.813 N/A GLY 208.A N GLY 211.A O no hydrogen 2.861 N/A THR 209.A N GLU 233.A OE1 no hydrogen 2.807 N/A THR 209.A OG1.A GLU 233.A OE1 no hydrogen 3.320 N/A ASN 210.A N GLU 233.A OE2 no hydrogen 2.861 N/A ARG 212.A N ASP 250.A OD1 no hydrogen 2.868 N/A ARG 212.A NH1 GLU 187.A OE1 no hydrogen 3.064 N/A ARG 212.A NH1 GLU 205.A OE2 no hydrogen 2.862 N/A TYR 213.A N ALA 206.A O no hydrogen 2.997 N/A PHE 214.A N ALA 238.A O no hydrogen 2.832 N/A ARG 215.A N VAL 204.A O no hydrogen 2.885 N/A ARG 215.A NE GLY 231.A O no hydrogen 2.792 N/A ARG 215.A NH1 LYS 184.A O no hydrogen 2.915 N/A SER 216.A N ALA 230.A O no hydrogen 2.923 N/A SER 216.A OG GLN 229.A OE1 no hydrogen 2.757 N/A PHE 217.A N MET 202.A O no hydrogen 2.839 N/A THR 218.A N LYS 227.A O no hydrogen 2.962 N/A ALA 219.A N TYR 200.A O no hydrogen 3.093 N/A SER 221.A OG.A ASN 220.A OD1 no hydrogen 2.713 N/A SER 221.A OG.A ASP 223.A OD1 no hydrogen 3.349 N/A SER 221.A OG.B ASP 223.A OD1 no hydrogen 2.424 N/A GLY 224.A N SER 221.A O no hydrogen 3.002 N/A LYS 227.A N THR 218.A O no hydrogen 3.023 N/A GLN 229.A N SER 216.A O no hydrogen 2.794 N/A ALA 230.A N SER 216.A OG no hydrogen 3.100 N/A SER 232.A OG.C SER 234.A OG no hydrogen 3.010 N/A SER 234.A N SER 232.A OG.C no hydrogen 3.259 N/A SER 234.A OG SER 232.A OG.C no hydrogen 3.010 N/A ALA 235.A N SER 232.A O no hydrogen 3.160 N/A ALA 235.A N SER 232.A OG.A no hydrogen 2.960 N/A PHE 237.A N PHE 214.A O no hydrogen 2.914 N/A ALA 238.A N PHE 214.A O no hydrogen 3.399 N/A GLY 239.A N ASN 242.A OD1 no hydrogen 2.968 N/A LYS 240.A NZ ASN 249.A OD1.A no hydrogen 3.065 N/A LYS 240.A NZ ASN 249.A OD1.B no hydrogen 2.780 N/A ASN 242.A N GLY 239.A O no hydrogen 3.018 N/A ASN 242.A ND2 TYR 8.A O no hydrogen 3.012 N/A ASN 242.A ND2 PRO 236.A O no hydrogen 3.045 N/A ASN 242.A ND2 PHE 237.A O no hydrogen 3.411 N/A ALA 245.A N SER 243.A OG no hydrogen 3.013 N/A TRP 247.A NE1 SER 13.A O no hydrogen 2.966 N/A THR 248.A OG1 ASP 250.A O no hydrogen 2.771 N/A THR 248.A OG1 ARG 279.A O no hydrogen 3.098 N/A VAL 251.A N ARG 212.A O no hydrogen 2.966 N/A SER 252.A N GLN 277.A O no hydrogen 3.017 N/A SER 252.A OG GLU 205.A OE1 no hydrogen 3.186 N/A SER 252.A OG GLU 205.A OE2 no hydrogen 2.614 N/A HIS 253.A N GLU 205.A OE1 no hydrogen 2.972 N/A HIS 253.A N SER 252.A OG no hydrogen 2.972 N/A ASP 255.A N LEU 275.A O no hydrogen 2.830 N/A LEU 256.A N TYR 192.A OH no hydrogen 2.921 N/A ILE 257.A N GLN 273.A O no hydrogen 2.904 N/A ARG 258.A NE ASP 255.A OD2 no hydrogen 3.065 N/A ARG 258.A NH1 VAL 81.A O no hydrogen 2.953 N/A ARG 258.A NH2 VAL 81.A O no hydrogen 3.035 N/A ARG 258.A NH2 ASP 255.A OD2 no hydrogen 2.924 N/A SER 259.A N THR 266.A O no hydrogen 2.850 N/A SER 259.A OG THR 266.A O no hydrogen 3.364 N/A ASP 262.A N ASN 260.A OD1.A no hydrogen 2.737 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.860 N/A GLN 263.A NE2 THR 85.A OG1.B no hydrogen 3.266 N/A THR 264.A N ASP 262.A OD1 no hydrogen 2.925 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.679 N/A THR 264.A OG1 THR 266.A OG1 no hydrogen 2.673 N/A MET 265.A N ASP 262.A O no hydrogen 3.174 N/A THR 266.A OG1 THR 264.A OG1 no hydrogen 2.673 N/A ILE 267.A N THR 193.A O no hydrogen 2.973 N/A CYS 270.A N ASP 268.A OD1 no hydrogen 2.918 N/A ARG 271.A N.A ASP 268.A O no hydrogen 2.871 N/A ARG 271.A N.B ASP 268.A O no hydrogen 2.860 N/A ARG 271.A NE.A ASP 268.A OD2 no hydrogen 2.364 N/A ARG 271.A NH1.B ASP 268.A OD2 no hydrogen 2.661 N/A ARG 271.A NH2.A ASP 268.A OD2 no hydrogen 2.903 N/A GLN 273.A NE2 THR 299.A OG1 no hydrogen 2.906 N/A LEU 274.A N LEU 298.A O no hydrogen 2.905 N/A LEU 275.A N ASP 255.A O no hydrogen 2.931 N/A TYR 276.A N GLY 296.A O no hydrogen 2.890 N/A TYR 276.A OH SER 12.A OG no hydrogen 2.756 N/A GLN 277.A N SER 252.A O no hydrogen 2.948 N/A GLN 277.A NE2 SER 252.A OG no hydrogen 2.916 N/A GLY 278.A N ARG 294.A O no hydrogen 2.928 N/A ARG 279.A N THR 248.A OG1 no hydrogen 2.948 N/A ARG 279.A NE ASP 250.A OD2 no hydrogen 2.938 N/A LYS 281.A N TRP 247.A O no hydrogen 3.061 N/A LYS 281.A NZ SER 246.A O no hydrogen 2.906 N/A ASN 282.A N ASP 280.A OD1 no hydrogen 2.887 N/A LYS 283.A NZ ASP 280.A OD2 no hydrogen 2.564 N/A LEU 290.A N SER 287.A O no hydrogen 3.164 N/A LEU 290.A N SER 287.A OG no hydrogen 3.019 N/A ALA 291.A N TYR 288.A O no hydrogen 2.929 N/A TYR 293.A N ALA 291.A O no hydrogen 2.880 N/A TYR 293.A OH ASP 250.A OD2 no hydrogen 2.720 N/A ARG 294.A N GLY 278.A O no hydrogen 2.859 N/A ARG 294.A NE GLN 18.A OE1 no hydrogen 2.843 N/A ARG 294.A NH1 VAL 24.A O.A no hydrogen 2.867 N/A ARG 294.A NH1 VAL 24.A O.B no hydrogen 3.006 N/A ARG 294.A NH1 TYR 293.A O no hydrogen 2.917 N/A ARG 294.A NH2 GLN 18.A OE1 no hydrogen 3.556 N/A GLY 296.A N TYR 276.A O no hydrogen 2.857 N/A LEU 297.A N SER 13.A OG no hydrogen 2.937 N/A LEU 298.A N LEU 274.A O no hydrogen 2.834 N/A THR 299.A N THR 11.A O no hydrogen 2.911 N/A LEU 300.A N LEU 272.A O no hydrogen 3.025 N/A TYR 301.A N ARG 9.A O no hydrogen 2.825 N/A LEU 303.A N GLU 306.A OE2 no hydrogen 3.112 N/A GLU 306.A N LEU 303.A O no hydrogen 3.071 N/A LEU 309.A N LEU 305.A O no hydrogen 2.775 N/A ILE 310.A N GLU 306.A O no hydrogen 2.752 N/A SER 311.A N GLN 307.A O no hydrogen 3.037 N/A SER 311.A OG GLN 307.A O no hydrogen 2.822 N/A SER 311.A OG LYS 308.A O no hydrogen 3.558 N/A GLU 312.A N LEU 309.A O no hydrogen 2.981 N/A