Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n2r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ALA 195.A O no hydrogen 3.490 N/A TYR 8.A OH GLN 229.A OE1 no hydrogen 2.699 N/A TRP 10.A N ASN 242.A O no hydrogen 2.978 N/A TRP 10.A NE1 PHE 237.A O no hydrogen 2.809 N/A THR 11.A N THR 299.A O no hydrogen 2.924 N/A SER 12.A OG SER 13.A O no hydrogen 2.809 N/A SER 12.A OG TYR 276.A OH no hydrogen 2.776 N/A SER 13.A N LEU 297.A O no hydrogen 2.899 N/A SER 13.A OG ALA 14.A O no hydrogen 2.737 N/A LEU 16.A N PRO 295.A O no hydrogen 2.784 N/A LYS 20.A N GLN 69.A OE1 no hydrogen 2.898 N/A LYS 20.A NZ GLN 69.A O no hydrogen 2.957 N/A TRP 23.A N LYS 20.A O no hydrogen 2.931 N/A VAL 24.A N.A HIS 45.A O no hydrogen 2.828 N/A VAL 24.A N.B HIS 45.A O no hydrogen 2.763 N/A SER 25.A N HIS 45.A O no hydrogen 3.319 N/A LEU 26.A N TYR 293.A O no hydrogen 3.094 N/A LYS 27.A N SER 43.A O no hydrogen 2.901 N/A LYS 27.A NZ TYR 288.A OH no hydrogen 2.921 N/A ASP 28.A N GLN 277.A OE1 no hydrogen 2.898 N/A THR 30.A N TYR 41.A O no hydrogen 2.937 N/A HIS 31.A N ASP 255.A OD2 no hydrogen 2.964 N/A HIS 31.A NE2 HIS 38.A ND1 no hydrogen 2.780 N/A VAL 32.A N LEU 39.A O no hydrogen 2.888 N/A TYR 34.A N GLN 37.A O no hydrogen 2.871 N/A GLN 37.A N TYR 34.A O no hydrogen 2.885 N/A GLN 37.A NE2 TYR 34.A O no hydrogen 3.411 N/A GLN 37.A NE2 ASN 35.A O no hydrogen 3.685 N/A HIS 38.A N PHE 58.A O no hydrogen 2.817 N/A HIS 38.A ND1 HIS 31.A NE2 no hydrogen 2.780 N/A LEU 39.A N VAL 32.A O no hydrogen 2.971 N/A TYR 41.A N THR 30.A O no hydrogen 3.013 N/A TYR 41.A OH PRO 109.A O no hydrogen 2.641 N/A ALA 42.A N MET 53.A O no hydrogen 2.928 N/A SER 43.A N LYS 27.A O no hydrogen 2.828 N/A SER 43.A OG ASP 28.A OD2 no hydrogen 2.675 N/A TYR 44.A N GLY 51.A O no hydrogen 2.900 N/A HIS 45.A N SER 25.A O no hydrogen 3.304 N/A ASP 46.A N LYS 49.A O no hydrogen 2.997 N/A THR 48.A N ASP 46.A OD1 no hydrogen 2.836 N/A LYS 49.A N ASP 46.A OD1 no hydrogen 2.832 N/A TYR 50.A OH ASP 289.A OD1 no hydrogen 2.731 N/A GLY 51.A N TYR 44.A O no hydrogen 2.876 N/A MET 53.A N ALA 42.A O no hydrogen 2.853 N/A ALA 54.A N THR 70.A O no hydrogen 3.061 N/A PHE 55.A N VAL 40.A O no hydrogen 3.034 N/A SER 56.A N THR 68.A O.A no hydrogen 2.784 N/A SER 56.A N THR 68.A O.B no hydrogen 2.991 N/A PHE 58.A N HIS 38.A O no hydrogen 3.134 N/A LYS 59.A NZ.A GLY 36.A O no hydrogen 2.819 N/A HIS 60.A N ASP 63.A OD2.A no hydrogen 2.869 N/A ASP 63.A N.A HIS 60.A O no hydrogen 2.782 N/A ASP 63.A N.B HIS 60.A O no hydrogen 2.907 N/A MET 64.A N TRP 61.A O no hydrogen 3.086 N/A THR 66.A N ASP 63.A O.A no hydrogen 3.293 N/A THR 66.A N ASP 63.A O.B no hydrogen 3.220 N/A THR 66.A OG1 ASP 63.A O.A no hydrogen 3.543 N/A THR 66.A OG1 ASP 63.A O.B no hydrogen 3.498 N/A ALA 67.A N ASP 63.A O.A no hydrogen 3.155 N/A ALA 67.A N ASP 63.A O.B no hydrogen 3.110 N/A ALA 67.A N MET 64.A O no hydrogen 3.340 N/A THR 68.A N.A SER 56.A OG no hydrogen 2.859 N/A THR 68.A N.B SER 56.A OG no hydrogen 2.883 N/A GLN 69.A NE2 GLN 18.A O no hydrogen 2.896 N/A THR 70.A N ALA 54.A O no hydrogen 2.988 N/A MET 72.A N SER 52.A O no hydrogen 2.831 N/A ALA 76.A N SER 52.A OG no hydrogen 2.758 N/A ALA 78.A N SER 43.A OG no hydrogen 2.867 N/A THR 80.A N VAL 93.A O no hydrogen 2.807 N/A THR 80.A OG1 GLN 136.A O no hydrogen 3.309 N/A THR 80.A OG1 GLN 136.A OE1 no hydrogen 2.735 N/A VAL 81.A N THR 30.A OG1 no hydrogen 3.161 N/A PHE 82.A N PHE 91.A O no hydrogen 3.133 N/A TYR 83.A N PRO 261.A O no hydrogen 2.818 N/A PHE 84.A N LEU 89.A O no hydrogen 2.841 N/A THR 85.A N.A GLN 263.A OE1 no hydrogen 2.840 N/A THR 85.A N.B GLN 263.A OE1 no hydrogen 2.907 N/A THR 85.A OG1.A GLN 263.A OE1 no hydrogen 3.390 N/A THR 85.A OG1.B GLN 263.A OE1 no hydrogen 3.460 N/A LYS 87.A N PHE 84.A O no hydrogen 3.054 N/A LYS 87.A NZ PHE 166.A O no hydrogen 2.858 N/A LYS 88.A N THR 85.A O.A no hydrogen 3.278 N/A LYS 88.A N THR 85.A O.B no hydrogen 2.752 N/A LYS 88.A NZ.A THR 85.A O.A no hydrogen 2.654 N/A LYS 88.A NZ.A THR 85.A O.B no hydrogen 3.050 N/A TRP 90.A N SER 106.A O.A no hydrogen 2.894 N/A TRP 90.A N SER 106.A O.B no hydrogen 2.938 N/A PHE 91.A N PHE 82.A O no hydrogen 2.799 N/A LEU 92.A N ARG 104.A O no hydrogen 2.913 N/A VAL 93.A N THR 80.A O no hydrogen 2.879 N/A SER 94.A N THR 102.A O no hydrogen 3.064 N/A GLN 95.A N VAL 77.A O no hydrogen 3.057 N/A TRP 96.A N PRO 100.A O no hydrogen 3.076 N/A PHE 101.A N PHE 122.A O no hydrogen 3.292 N/A THR 102.A N SER 94.A O no hydrogen 2.941 N/A TYR 103.A N GLN 119.A O no hydrogen 2.917 N/A ARG 104.A N LEU 92.A O no hydrogen 2.977 N/A ARG 104.A NH1.A GLN 74.A O no hydrogen 3.148 N/A ARG 104.A NH1.B GLN 74.A O no hydrogen 2.695 N/A ARG 104.A NH2.B GLN 74.A O no hydrogen 3.316 N/A ARG 104.A NH2.B ALA 75.A O no hydrogen 2.827 N/A THR 105.A N SER 116.A OG no hydrogen 2.825 N/A THR 105.A OG1 SER 116.A OG no hydrogen 3.289 N/A SER 106.A N.A TRP 90.A O no hydrogen 3.004 N/A SER 106.A N.B TRP 90.A O no hydrogen 3.023 N/A SER 106.A OG.A ASP 108.A O no hydrogen 2.755 N/A ASP 108.A N SER 106.A OG.A no hydrogen 2.954 N/A THR 110.A N ASP 108.A OD1 no hydrogen 2.919 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 3.547 N/A LYS 111.A N ASP 108.A O no hydrogen 3.170 N/A GLY 114.A N LYS 111.A O no hydrogen 2.976 N/A TRP 115.A NE1 TYR 41.A OH no hydrogen 2.941 N/A SER 116.A N THR 105.A O no hydrogen 2.917 N/A SER 116.A OG THR 105.A OG1 no hydrogen 3.289 N/A GLN 119.A N TYR 103.A O no hydrogen 2.902 N/A GLN 119.A NE2 ALA 117.A O no hydrogen 3.139 N/A LEU 121.A N PHE 101.A O no hydrogen 2.837 N/A PHE 122.A N PHE 101.A O no hydrogen 3.147 N/A THR 123.A N GLY 171.A O no hydrogen 2.970 N/A SER 129.A OG ALA 151.A O no hydrogen 2.708 N/A THR 131.A N SER 129.A OG no hydrogen 3.206 N/A THR 131.A OG1 SER 129.A OG no hydrogen 3.281 N/A THR 131.A OG1 GLY 132.A O no hydrogen 2.881 N/A THR 131.A OG1 ALA 151.A O no hydrogen 3.228 N/A GLY 132.A N SER 129.A OG no hydrogen 2.862 N/A ILE 134.A N VAL 150.A O no hydrogen 2.891 N/A ASP 135.A N GLN 95.A OE1 no hydrogen 2.881 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 3.049 N/A ILE 139.A N TYR 146.A O.B no hydrogen 3.093 N/A ALA 140.A N GLN 263.A O no hydrogen 2.923 N/A ASP 141.A N LYS 144.A O no hydrogen 3.064 N/A ARG 143.A N ASP 141.A OD1 no hydrogen 2.810 N/A ARG 143.A NH1 ASP 223.A OD2 no hydrogen 3.056 N/A ARG 143.A NH2 ASP 141.A OD2 no hydrogen 2.931 N/A ARG 143.A NH2 ASP 223.A OD1 no hydrogen 3.440 N/A LYS 144.A N ASP 141.A OD1 no hydrogen 2.851 N/A LYS 144.A NZ TYR 146.A OH.A no hydrogen 2.727 N/A LYS 144.A NZ ASP 223.A OD2 no hydrogen 2.873 N/A VAL 145.A N MET 161.A O no hydrogen 2.891 N/A TYR 146.A N.A ILE 139.A O no hydrogen 2.792 N/A TYR 146.A N.B ILE 139.A O no hydrogen 2.806 N/A TYR 146.A OH.B ASP 141.A OD2 no hydrogen 2.807 N/A LEU 147.A N THR 159.A O no hydrogen 2.968 N/A PHE 148.A N THR 137.A O no hydrogen 3.002 N/A PHE 149.A N TYR 157.A O no hydrogen 3.020 N/A VAL 150.A N ILE 134.A O no hydrogen 3.151 N/A ASP 152.A N PHE 186.A O no hydrogen 3.193 N/A ASN 153.A ND2 ALA 127.A O no hydrogen 3.218 N/A ASN 153.A ND2 ASP 128.A O no hydrogen 3.307 N/A ASN 153.A ND2 TYR 157.A OH no hydrogen 3.035 N/A LYS 155.A N ASN 153.A OD1 no hydrogen 3.150 N/A LYS 155.A NZ SER 179.A OG no hydrogen 3.339 N/A VAL 156.A N LEU 178.A O no hydrogen 3.021 N/A TYR 157.A N PHE 149.A O no hydrogen 2.872 N/A ARG 158.A N GLU 175.A O no hydrogen 2.918 N/A THR 159.A N LEU 147.A O no hydrogen 2.931 N/A THR 159.A OG1 ALA 173.A O no hydrogen 3.485 N/A MET 161.A N VAL 145.A O no hydrogen 2.918 N/A ILE 163.A N ARG 143.A O no hydrogen 2.898 N/A ASP 165.A N ALA 162.A O no hydrogen 2.941 N/A PHE 166.A N ILE 163.A O no hydrogen 3.317 N/A ASN 169.A ND2 THR 123.A OG1 no hydrogen 3.095 N/A PHE 170.A N LEU 121.A O no hydrogen 2.810 N/A GLY 171.A N ASN 169.A OD1 no hydrogen 2.910 N/A GLU 175.A N ARG 158.A O no hydrogen 2.980 N/A ILE 177.A N VAL 156.A O no hydrogen 2.838 N/A ASP 180.A N GLY 154.A O no hydrogen 2.802 N/A THR 181.A N ASP 180.A OD1 no hydrogen 2.762 N/A GLN 182.A NE2 ASP 152.A O no hydrogen 2.928 N/A LYS 184.A N THR 181.A O no hydrogen 3.035 N/A LYS 184.A N THR 181.A OG1 no hydrogen 3.115 N/A LYS 184.A NZ TYR 213.A OH no hydrogen 2.917 N/A LYS 184.A NZ GLY 231.A O no hydrogen 3.093 N/A LEU 185.A N THR 181.A O no hydrogen 3.238 N/A PHE 186.A N GLU 205.A O no hydrogen 2.992 N/A GLU 187.A N GLU 205.A O no hydrogen 3.127 N/A ALA 188.A N ASP 135.A OD2 no hydrogen 2.882 N/A GLN 190.A N ILE 203.A O no hydrogen 2.898 N/A TYR 192.A N LEU 201.A O no hydrogen 2.827 N/A TYR 192.A OH ASP 255.A OD1 no hydrogen 2.618 N/A THR 193.A N MET 265.A O.A no hydrogen 3.028 N/A THR 193.A N MET 265.A O.C no hydrogen 3.020 N/A THR 193.A OG1 THR 264.A O no hydrogen 2.653 N/A VAL 194.A N GLN 199.A O no hydrogen 3.011 N/A ALA 195.A N ILE 267.A O no hydrogen 2.895 N/A GLN 197.A N VAL 194.A O no hydrogen 3.187 N/A GLN 197.A NE2 SER 1.A OG no hydrogen 2.873 N/A TYR 200.A N ALA 219.A O no hydrogen 2.997 N/A LEU 201.A N TYR 192.A O no hydrogen 2.955 N/A MET 202.A N PHE 217.A O no hydrogen 2.846 N/A ILE 203.A N GLN 190.A O no hydrogen 2.892 N/A VAL 204.A N ARG 215.A O no hydrogen 2.918 N/A GLU 205.A N GLU 187.A O no hydrogen 2.861 N/A ALA 206.A N TYR 213.A O no hydrogen 2.785 N/A GLN 207.A N.A ALA 183.A O no hydrogen 2.833 N/A GLN 207.A N.B ALA 183.A O no hydrogen 2.810 N/A GLN 207.A NE2.A GLY 208.A O no hydrogen 2.981 N/A GLY 208.A N GLY 211.A O no hydrogen 2.843 N/A THR 209.A N GLU 233.A OE1 no hydrogen 2.840 N/A THR 209.A OG1.A GLU 233.A OE1 no hydrogen 3.370 N/A ASN 210.A N GLU 233.A OE2 no hydrogen 2.860 N/A ARG 212.A N ASP 250.A OD1 no hydrogen 2.919 N/A ARG 212.A NE GLN 207.A OE1.A no hydrogen 2.985 N/A ARG 212.A NH1 GLU 187.A OE1 no hydrogen 3.020 N/A ARG 212.A NH1 GLU 205.A OE2 no hydrogen 2.899 N/A TYR 213.A N ALA 206.A O no hydrogen 2.978 N/A PHE 214.A N ALA 238.A O no hydrogen 2.805 N/A ARG 215.A N VAL 204.A O no hydrogen 2.894 N/A ARG 215.A NE GLY 231.A O no hydrogen 2.795 N/A ARG 215.A NH1 LYS 184.A O no hydrogen 2.906 N/A SER 216.A N ALA 230.A O no hydrogen 2.908 N/A SER 216.A OG GLN 229.A OE1 no hydrogen 2.731 N/A PHE 217.A N MET 202.A O no hydrogen 2.830 N/A THR 218.A N LYS 227.A O no hydrogen 2.967 N/A ALA 219.A N TYR 200.A O no hydrogen 3.096 N/A SER 221.A OG.A ASN 220.A OD1 no hydrogen 2.703 N/A SER 221.A OG.A ASP 223.A OD1 no hydrogen 3.320 N/A SER 221.A OG.B ASP 223.A OD1 no hydrogen 2.275 N/A GLY 224.A N SER 221.A O no hydrogen 2.942 N/A LYS 227.A N THR 218.A O no hydrogen 3.020 N/A GLN 229.A N SER 216.A O no hydrogen 2.777 N/A ALA 230.A N SER 216.A O no hydrogen 3.368 N/A ALA 230.A N SER 216.A OG no hydrogen 3.078 N/A ALA 235.A N SER 232.A O no hydrogen 3.120 N/A ALA 235.A N SER 232.A OG.A no hydrogen 2.935 N/A PHE 237.A N PHE 214.A O no hydrogen 2.912 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 2.977 N/A LYS 240.A NZ.A ASN 249.A OD1 no hydrogen 2.807 N/A ASN 242.A N GLY 239.A O no hydrogen 2.992 N/A ASN 242.A ND2 TYR 8.A O no hydrogen 3.000 N/A ASN 242.A ND2 PRO 236.A O no hydrogen 3.081 N/A ASN 242.A ND2 PHE 237.A O no hydrogen 3.393 N/A SER 243.A OG GLY 239.A O no hydrogen 3.390 N/A ALA 245.A N SER 243.A OG no hydrogen 3.049 N/A TRP 247.A NE1 SER 13.A O no hydrogen 2.958 N/A THR 248.A OG1 ASP 250.A O no hydrogen 2.799 N/A THR 248.A OG1 ARG 279.A O no hydrogen 3.081 N/A VAL 251.A N ARG 212.A O no hydrogen 2.955 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 3.124 N/A SER 252.A OG GLU 205.A OE2 no hydrogen 2.618 N/A HIS 253.A N GLU 205.A OE1 no hydrogen 2.971 N/A HIS 253.A N SER 252.A OG no hydrogen 2.965 N/A ASP 255.A N LEU 275.A O no hydrogen 2.817 N/A LEU 256.A N TYR 192.A OH no hydrogen 2.930 N/A ILE 257.A N GLN 273.A O no hydrogen 2.875 N/A ARG 258.A NE ASP 255.A OD2 no hydrogen 3.099 N/A ARG 258.A NH1 VAL 81.A O no hydrogen 2.967 N/A ARG 258.A NH2 VAL 81.A O no hydrogen 3.060 N/A ARG 258.A NH2 ASP 255.A OD2 no hydrogen 2.932 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 3.377 N/A ASP 262.A N ASN 260.A OD1 no hydrogen 2.859 N/A GLN 263.A N GLN 263.A OE1 no hydrogen 2.866 N/A GLN 263.A NE2 THR 85.A OG1.B no hydrogen 3.173 N/A THR 264.A N ASP 262.A OD1 no hydrogen 2.931 N/A THR 264.A OG1 ASP 262.A OD1 no hydrogen 2.676 N/A THR 264.A OG1 THR 266.A OG1 no hydrogen 2.675 N/A MET 265.A N.A ASP 262.A O no hydrogen 3.091 N/A MET 265.A N.C ASP 262.A O no hydrogen 3.093 N/A THR 266.A OG1 THR 264.A OG1 no hydrogen 2.675 N/A ILE 267.A N THR 193.A O no hydrogen 2.938 N/A CYS 270.A N ASP 268.A OD1 no hydrogen 2.869 N/A ARG 271.A N.A ASP 268.A O no hydrogen 2.905 N/A ARG 271.A N.B ASP 268.A O no hydrogen 2.915 N/A ARG 271.A NE.A ASP 268.A OD2 no hydrogen 2.195 N/A ARG 271.A NH1.B ASP 268.A OD2 no hydrogen 2.632 N/A GLN 273.A NE2 THR 299.A OG1 no hydrogen 2.983 N/A LEU 274.A N LEU 298.A O no hydrogen 2.910 N/A LEU 275.A N ASP 255.A O no hydrogen 2.903 N/A TYR 276.A N GLY 296.A O no hydrogen 2.889 N/A TYR 276.A OH SER 12.A OG no hydrogen 2.776 N/A GLN 277.A N SER 252.A O no hydrogen 2.979 N/A GLN 277.A NE2 SER 252.A OG no hydrogen 2.928 N/A GLY 278.A N ARG 294.A O no hydrogen 2.912 N/A ARG 279.A N THR 248.A OG1 no hydrogen 2.966 N/A ARG 279.A NE.B ASP 250.A OD2 no hydrogen 2.922 N/A LYS 281.A N TRP 247.A O no hydrogen 3.062 N/A LYS 281.A NZ SER 246.A O no hydrogen 2.835 N/A ASN 282.A N ASP 280.A OD1 no hydrogen 2.850 N/A LYS 283.A N ASP 280.A O no hydrogen 3.202 N/A LEU 290.A N SER 287.A O no hydrogen 3.055 N/A LEU 290.A N SER 287.A OG no hydrogen 3.207 N/A ALA 291.A N TYR 288.A O no hydrogen 2.916 N/A TYR 293.A N ALA 291.A O no hydrogen 2.898 N/A TYR 293.A OH ASP 250.A OD2 no hydrogen 2.830 N/A ARG 294.A N GLY 278.A O no hydrogen 2.827 N/A ARG 294.A NE GLN 18.A OE1 no hydrogen 2.821 N/A ARG 294.A NH1 VAL 24.A O.A no hydrogen 2.800 N/A ARG 294.A NH1 VAL 24.A O.B no hydrogen 3.085 N/A ARG 294.A NH1 TYR 293.A O no hydrogen 2.918 N/A ARG 294.A NH2 GLN 18.A OE1 no hydrogen 3.483 N/A GLY 296.A N TYR 276.A O no hydrogen 2.846 N/A LEU 297.A N SER 13.A OG no hydrogen 2.932 N/A LEU 298.A N LEU 274.A O no hydrogen 2.822 N/A THR 299.A N THR 11.A O no hydrogen 2.863 N/A LEU 300.A N LEU 272.A O no hydrogen 3.038 N/A TYR 301.A N ARG 9.A O no hydrogen 2.949 N/A