Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nq1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N LYS 198.A O no hydrogen 3.109 N/A ILE 6.A N VAL 200.A O no hydrogen 2.900 N/A VAL 7.A N ALA 37.A O no hydrogen 3.042 N/A ALA 8.A N SER 202.A O no hydrogen 2.915 N/A LEU 9.A N VAL 39.A O no hydrogen 2.955 N/A VAL 10.A N ASN 206.A OD1 no hydrogen 3.256 N/A THR 11.A OG1 GLY 45.A O no hydrogen 2.673 N/A ARG 14.A N SER 17.A O no hydrogen 2.783 N/A ASN 15.A N GLU 263.A OE1.B no hydrogen 2.797 N/A ASN 15.A N GLU 263.A OE2.A no hydrogen 2.768 N/A ASP 16.A N GLU 263.A OE1.A no hydrogen 2.666 N/A SER 17.A N ARG 14.A O no hydrogen 3.010 N/A ASP 19.A N PRO 12.A O no hydrogen 2.840 N/A HIS 22.A N ASP 19.A OD1 no hydrogen 3.247 N/A LEU 23.A N ASP 19.A O no hydrogen 2.944 N/A ARG 24.A N VAL 20.A O no hydrogen 2.871 N/A GLU 25.A N HIS 21.A O no hydrogen 3.122 N/A LEU 26.A N HIS 22.A O no hydrogen 2.985 N/A VAL 27.A N LEU 23.A O no hydrogen 3.154 N/A GLU 28.A N ARG 24.A O no hydrogen 3.141 N/A PHE 29.A N GLU 25.A O no hydrogen 2.930 N/A HIS 30.A N LEU 26.A O no hydrogen 2.993 N/A HIS 30.A ND1 THR 35.A OG1 no hydrogen 2.805 N/A ILE 31.A N VAL 27.A O no hydrogen 3.024 N/A ALA 32.A N GLU 28.A O no hydrogen 2.914 N/A LYS 33.A N PHE 29.A O no hydrogen 2.891 N/A LYS 33.A N HIS 30.A O no hydrogen 3.235 N/A GLY 34.A N HIS 30.A O no hydrogen 2.896 N/A THR 35.A N HIS 30.A O no hydrogen 3.064 N/A THR 35.A OG1 HIS 30.A ND1 no hydrogen 2.805 N/A HIS 36.A N SER 5.A O no hydrogen 2.771 N/A LEU 38.A N PRO 71.A O no hydrogen 2.903 N/A VAL 39.A N VAL 7.A O no hydrogen 2.802 N/A ALA 40.A N ILE 73.A O no hydrogen 2.817 N/A THR 43.A OG1 TYR 132.A OH no hydrogen 2.807 N/A GLY 45.A N GLY 42.A O no hydrogen 2.869 N/A GLU 46.A N THR 43.A O no hydrogen 2.959 N/A ALA 47.A N GLY 42.A O no hydrogen 3.120 N/A THR 49.A N GLU 46.A O no hydrogen 2.972 N/A THR 49.A OG1 GLU 46.A O no hydrogen 3.515 N/A LEU 50.A N GLU 46.A O no hydrogen 3.146 N/A LEU 50.A N ALA 47.A O no hydrogen 3.344 N/A SER 51.A N GLU 54.A OE1 no hydrogen 2.886 N/A SER 51.A OG SER 53.A OG.B no hydrogen 3.369 N/A SER 51.A OG GLU 54.A OE1 no hydrogen 3.322 N/A HIS 52.A NE2 GLU 86.A OE1.A no hydrogen 2.685 N/A SER 53.A OG.B SER 51.A OG no hydrogen 3.369 N/A GLU 54.A N SER 51.A OG no hydrogen 3.080 N/A LYS 55.A N SER 51.A O no hydrogen 2.939 N/A LEU 56.A N HIS 52.A O no hydrogen 3.102 N/A LEU 57.A N SER 53.A O.A no hydrogen 2.886 N/A LEU 57.A N SER 53.A O.B no hydrogen 2.875 N/A VAL 58.A N GLU 54.A O no hydrogen 2.842 N/A ILE 59.A N LYS 55.A O no hydrogen 2.960 N/A LYS 60.A N LEU 56.A O no hydrogen 2.871 N/A THR 61.A N LEU 57.A O no hydrogen 2.801 N/A THR 61.A OG1 LEU 57.A O no hydrogen 2.682 N/A VAL 62.A N VAL 58.A O no hydrogen 3.085 N/A ILE 63.A N ILE 59.A O no hydrogen 2.990 N/A GLU 64.A N.A LYS 60.A O no hydrogen 2.879 N/A GLU 64.A N.B LYS 60.A O no hydrogen 2.918 N/A GLN 65.A N THR 61.A O no hydrogen 2.937 N/A GLN 65.A NE2 GLU 28.A OE2 no hydrogen 2.719 N/A ALA 66.A N VAL 62.A O no hydrogen 2.893 N/A LYS 67.A N ILE 63.A O no hydrogen 3.339 N/A ARG 69.A N ALA 66.A O no hydrogen 2.947 N/A ARG 69.A NE ALA 66.A O no hydrogen 2.956 N/A ARG 69.A NH1 GLU 28.A OE1 no hydrogen 2.879 N/A ARG 69.A NH2 GLU 28.A OE1 no hydrogen 3.438 N/A ARG 69.A NH2 GLU 28.A OE2 no hydrogen 2.769 N/A ARG 69.A NH2 GLN 65.A O no hydrogen 2.747 N/A ARG 69.A NH2 ALA 66.A O no hydrogen 3.520 N/A ILE 73.A N LEU 38.A O no hydrogen 2.716 N/A ALA 74.A N ALA 98.A O no hydrogen 2.910 N/A GLY 75.A N ALA 40.A O no hydrogen 2.812 N/A THR 76.A N LEU 100.A O no hydrogen 3.042 N/A THR 76.A OG1 THR 88.A OG1 no hydrogen 2.790 N/A ASN 79.A ND2 ALA 105.A O no hydrogen 3.094 N/A THR 81.A OG1 HIS 117.A ND1 no hydrogen 2.837 N/A CYS 84.A N ALA 80.A O no hydrogen 2.953 N/A CYS 84.A SG THR 76.A O no hydrogen 3.433 N/A CYS 84.A SG THR 88.A OG1 no hydrogen 3.737 N/A ILE 85.A N THR 81.A O no hydrogen 2.893 N/A GLU 86.A N.A LYS 82.A O no hydrogen 3.280 N/A GLU 86.A N.B LYS 82.A O no hydrogen 3.249 N/A LEU 87.A N ASP 83.A O no hydrogen 3.034 N/A THR 88.A N CYS 84.A O no hydrogen 2.911 N/A THR 88.A OG1 THR 76.A OG1 no hydrogen 2.790 N/A THR 88.A OG1 CYS 84.A O no hydrogen 2.804 N/A GLN 89.A N ILE 85.A O no hydrogen 2.865 N/A GLN 89.A NE2 GLU 93.A OE2 no hydrogen 2.577 N/A GLN 90.A N.A GLU 86.A O.A no hydrogen 3.038 N/A GLN 90.A N.A GLU 86.A O.B no hydrogen 3.066 N/A GLN 90.A N.B GLU 86.A O.A no hydrogen 2.980 N/A GLN 90.A N.B GLU 86.A O.B no hydrogen 3.008 N/A ALA 91.A N LEU 87.A O no hydrogen 3.012 N/A MET 92.A N.A THR 88.A O no hydrogen 2.946 N/A MET 92.A N.B THR 88.A O no hydrogen 2.958 N/A GLU 93.A N GLN 89.A O no hydrogen 2.991 N/A TYR 94.A N GLN 90.A O.A no hydrogen 2.917 N/A TYR 94.A N GLN 90.A O.B no hydrogen 2.989 N/A GLY 95.A N MET 92.A O.A no hydrogen 3.025 N/A GLY 95.A N MET 92.A O.B no hydrogen 2.907 N/A ALA 96.A N ALA 91.A O no hydrogen 3.064 N/A HIS 97.A N VAL 72.A O no hydrogen 2.823 N/A ALA 99.A N PRO 128.A O no hydrogen 2.859 N/A LEU 100.A N ALA 74.A O no hydrogen 2.840 N/A ILE 101.A N ILE 130.A O no hydrogen 2.827 N/A THR 103.A N TYR 132.A O no hydrogen 3.055 N/A THR 103.A OG1 PRO 104.A O no hydrogen 2.987 N/A ALA 105.A N ASN 79.A OD1 no hydrogen 2.905 N/A TYR 106.A N.A THR 138.A O no hydrogen 2.997 N/A TYR 106.A N.B THR 138.A O no hydrogen 3.007 N/A GLN 111.A NE2 THR 146.A OG1 no hydrogen 2.681 N/A GLY 113.A N THR 110.A OG1 no hydrogen 2.988 N/A LEU 114.A N THR 110.A O no hydrogen 2.850 N/A TYR 115.A N GLN 111.A O no hydrogen 2.896 N/A LEU 116.A N GLU 112.A O.A no hydrogen 2.912 N/A LEU 116.A N GLU 112.A O.B no hydrogen 2.878 N/A LEU 116.A N GLU 112.A O.C no hydrogen 2.881 N/A HIS 117.A N GLY 113.A O no hydrogen 2.802 N/A HIS 117.A ND1 THR 81.A OG1 no hydrogen 2.837 N/A TYR 118.A N LEU 114.A O no hydrogen 3.053 N/A TYR 118.A OH ILE 101.A O no hydrogen 2.766 N/A SER 119.A N.A TYR 115.A O no hydrogen 2.868 N/A SER 119.A N.B TYR 115.A O no hydrogen 2.850 N/A SER 119.A OG.A TYR 115.A O no hydrogen 2.747 N/A SER 119.A OG.A LEU 116.A O no hydrogen 3.268 N/A HIS 120.A N LEU 116.A O no hydrogen 2.860 N/A ILE 121.A N HIS 117.A O no hydrogen 2.995 N/A ALA 122.A N TYR 118.A O no hydrogen 2.905 N/A GLN 123.A N SER 119.A O.A no hydrogen 2.935 N/A GLN 123.A N SER 119.A O.B no hydrogen 2.875 N/A GLN 123.A NE2 SER 119.A O.A no hydrogen 3.140 N/A GLN 123.A NE2 SER 119.A O.B no hydrogen 3.357 N/A GLN 123.A NE2 SER 119.A OG.B no hydrogen 2.855 N/A SER 124.A N HIS 120.A O no hydrogen 3.090 N/A SER 124.A N ILE 121.A O no hydrogen 3.174 N/A SER 124.A OG HIS 120.A O no hydrogen 2.891 N/A VAL 125.A N ILE 121.A O no hydrogen 2.959 N/A ILE 127.A N VAL 125.A O no hydrogen 2.874 N/A ILE 129.A N ASN 155.A O no hydrogen 2.727 N/A ILE 130.A N ALA 99.A O no hydrogen 2.720 N/A LEU 131.A N GLY 158.A O no hydrogen 2.800 N/A TYR 132.A OH THR 43.A OG1 no hydrogen 2.807 N/A ASN 133.A ND2 ASP 141.A OD1 no hydrogen 2.901 N/A ASN 133.A ND2 GLU 160.A OE2 no hydrogen 2.884 N/A ARG 137.A N VAL 134.A O no hydrogen 2.898 N/A ARG 137.A NH2 ASN 246.A O no hydrogen 2.912 N/A THR 138.A N VAL 134.A O no hydrogen 3.087 N/A THR 138.A OG1 VAL 134.A O no hydrogen 3.283 N/A THR 138.A OG1 CYS 140.A O no hydrogen 3.173 N/A ALA 139.A N PRO 135.A O no hydrogen 2.906 N/A CYS 140.A N THR 138.A OG1 no hydrogen 3.015 N/A MET 142.A N.A ASN 133.A OD1 no hydrogen 2.798 N/A MET 142.A N.B ASN 133.A OD1 no hydrogen 2.845 N/A THR 146.A N LEU 143.A O no hydrogen 2.825 N/A VAL 147.A N LEU 143.A O no hydrogen 3.065 N/A ALA 148.A N PRO 144.A O no hydrogen 2.960 N/A ARG 149.A N.A GLU 145.A O no hydrogen 3.208 N/A ARG 149.A N.B GLU 145.A O no hydrogen 3.184 N/A ARG 149.A NH1.A GLU 112.A OE1.B no hydrogen 2.622 N/A ARG 149.A NH1.A GLU 112.A OE1.C no hydrogen 3.396 N/A ARG 149.A NH2.B GLU 112.A OE1.B no hydrogen 2.301 N/A ARG 149.A NH2.B GLU 112.A OE2.B no hydrogen 3.237 N/A LEU 150.A N THR 146.A O no hydrogen 2.955 N/A ALA 151.A N VAL 147.A O no hydrogen 2.900 N/A LYS 152.A N ARG 149.A O.A no hydrogen 3.201 N/A LYS 152.A N ARG 149.A O.B no hydrogen 3.239 N/A ILE 153.A N LEU 150.A O no hydrogen 2.876 N/A ASN 155.A ND2 ALA 122.A O no hydrogen 3.651 N/A ILE 156.A N ILE 153.A O no hydrogen 2.837 N/A ILE 157.A N ILE 129.A O no hydrogen 2.910 N/A ILE 159.A N ASP 180.A O no hydrogen 2.815 N/A ALA 161.A N ASN 133.A O no hydrogen 3.051 N/A THR 162.A N GLU 160.A OE1 no hydrogen 2.968 N/A THR 162.A OG1 GLU 160.A OE1 no hydrogen 2.655 N/A ARG 167.A NH1 ASP 141.A OD1 no hydrogen 2.833 N/A ARG 167.A NH1 ASP 141.A OD2 no hydrogen 3.548 N/A ARG 167.A NH1 GLU 160.A OE2 no hydrogen 2.977 N/A ARG 167.A NH2 ASP 141.A OD2 no hydrogen 2.925 N/A LEU 168.A N GLN 164.A O no hydrogen 3.178 N/A GLN 169.A N MET 165.A O no hydrogen 2.917 N/A GLN 169.A NE2.A SER 195.A O no hydrogen 2.847 N/A GLN 170.A N THR 166.A O no hydrogen 2.854 N/A ILE 171.A N ARG 167.A O no hydrogen 3.029 N/A LEU 172.A N LEU 168.A O no hydrogen 2.953 N/A ARG 173.A N.A GLN 169.A O no hydrogen 2.865 N/A ARG 173.A N.B GLN 169.A O no hydrogen 2.885 N/A ARG 173.A NE.B GLN 170.A OE1 no hydrogen 3.124 N/A ARG 173.A NH1.A GLN 170.A OE1 no hydrogen 3.084 N/A ARG 173.A NH2.B GLN 170.A OE1 no hydrogen 2.752 N/A LEU 174.A N GLN 170.A O no hydrogen 2.909 N/A CYS 175.A N ILE 171.A O no hydrogen 2.909 N/A CYS 175.A SG ILE 171.A O no hydrogen 3.369 N/A GLU 176.A N LEU 172.A O no hydrogen 2.821 N/A SER 178.A N.A CYS 175.A O no hydrogen 3.018 N/A SER 178.A N.B CYS 175.A O no hydrogen 3.039 N/A SER 178.A OG.A CYS 175.A O no hydrogen 2.924 N/A SER 178.A OG.B ALA 151.A O no hydrogen 3.480 N/A ASP 180.A N ILE 157.A O no hydrogen 3.035 N/A TYR 182.A N ILE 159.A O no hydrogen 2.775 N/A TYR 182.A OH PHE 2.A O no hydrogen 3.151 N/A SER 183.A N GLY 199.A O no hydrogen 2.928 N/A GLY 184.A N GLU 160.A O no hydrogen 2.946 N/A ASP 185.A N SER 183.A OG no hydrogen 3.012 N/A THR 188.A N ASP 185.A O no hydrogen 3.097 N/A THR 188.A OG1 ASP 185.A O no hydrogen 3.452 N/A THR 188.A OG1 ASP 185.A OD2 no hydrogen 2.663 N/A ALA 189.A N ASP 186.A O no hydrogen 3.237 N/A TRP 192.A N THR 188.A O no hydrogen 3.242 N/A LEU 193.A N ALA 189.A O no hydrogen 2.808 N/A LEU 194.A N ALA 190.A O no hydrogen 2.881 N/A SER 195.A N TRP 192.A O no hydrogen 2.991 N/A SER 195.A OG GLN 191.A O no hydrogen 2.712 N/A ALA 197.A N TRP 192.A O no hydrogen 2.897 N/A LYS 198.A N VAL 181.A O no hydrogen 2.803 N/A VAL 200.A N GLY 4.A O no hydrogen 2.905 N/A ILE 201.A N SER 183.A O no hydrogen 2.893 N/A SER 202.A N ILE 6.A O no hydrogen 2.801 N/A SER 202.A OG ASP 186.A OD1 no hydrogen 2.566 N/A VAL 203.A N ASP 186.A OD2 no hydrogen 2.786 N/A THR 204.A N ASP 186.A OD2 no hydrogen 3.106 N/A ALA 205.A N SER 202.A OG no hydrogen 2.835 N/A ASN 206.A N VAL 203.A O no hydrogen 2.934 N/A ASN 206.A ND2 ALA 8.A O no hydrogen 2.811 N/A ASN 206.A ND2 VAL 203.A O no hydrogen 2.990 N/A VAL 207.A N THR 204.A O no hydrogen 2.869 N/A ALA 208.A N THR 204.A O no hydrogen 2.865 N/A MET 212.A N ALA 208.A O no hydrogen 2.878 N/A ALA 213.A N ALA 209.A O no hydrogen 2.940 N/A LYS 214.A N LYS 210.A O no hydrogen 2.913 N/A MET 215.A N.A LEU 211.A O no hydrogen 2.840 N/A MET 215.A N.B LEU 211.A O no hydrogen 2.829 N/A CYS 216.A N MET 212.A O no hydrogen 3.046 N/A CYS 216.A SG MET 212.A O no hydrogen 3.331 N/A ASP 217.A N ALA 213.A O no hydrogen 2.862 N/A LEU 218.A N LYS 214.A O no hydrogen 2.857 N/A ALA 219.A N MET 215.A O.A no hydrogen 3.074 N/A ALA 219.A N MET 215.A O.B no hydrogen 3.142 N/A MET 220.A N CYS 216.A O no hydrogen 2.847 N/A ASP 221.A N.A ASP 217.A O no hydrogen 2.919 N/A ASP 221.A N.B ASP 217.A O no hydrogen 2.928 N/A ASP 221.A N.B LEU 218.A O no hydrogen 3.147 N/A ASP 222.A N ALA 219.A O no hydrogen 2.914 N/A ASP 223.A N LEU 218.A O no hydrogen 2.819 N/A GLY 226.A N ASP 223.A OD1 no hydrogen 2.970 N/A CYS 227.A N ASP 223.A O no hydrogen 2.902 N/A CYS 227.A SG MET 215.A O.A no hydrogen 3.552 N/A CYS 227.A SG MET 215.A O.B no hydrogen 3.474 N/A LEU 228.A N GLN 224.A O no hydrogen 2.878 N/A ARG 229.A N ALA 225.A O no hydrogen 2.900 N/A ILE 230.A N.A GLY 226.A O no hydrogen 3.232 N/A ILE 230.A N.B GLY 226.A O no hydrogen 3.243 N/A GLN 231.A N CYS 227.A O no hydrogen 3.057 N/A GLN 231.A NE2 ASP 186.A O no hydrogen 3.003 N/A GLN 231.A NE2 LEU 187.A O.B no hydrogen 3.338 N/A GLU 232.A N LEU 228.A O no hydrogen 2.962 N/A GLN 233.A N ARG 229.A O no hydrogen 3.227 N/A LEU 234.A N ILE 230.A O.A no hydrogen 3.010 N/A LEU 234.A N ILE 230.A O.B no hydrogen 2.896 N/A MET 235.A N GLU 232.A O no hydrogen 3.305 N/A HIS 238.A N LEU 234.A O no hydrogen 2.827 N/A GLU 239.A N MET 235.A O no hydrogen 2.958 N/A LEU 240.A N PRO 236.A O no hydrogen 3.212 N/A LEU 241.A N LEU 237.A O no hydrogen 3.017 N/A LEU 241.A N HIS 238.A O no hydrogen 3.257 N/A PHE 242.A N GLU 239.A O no hydrogen 3.214 N/A VAL 243.A N LEU 240.A O no hydrogen 3.040 N/A ASN 246.A ND2 THR 44.A OG1 no hydrogen 2.908 N/A ILE 248.A N SER 245.A O no hydrogen 2.809 N/A LYS 251.A N PRO 247.A O no hydrogen 3.062 N/A LYS 251.A NZ THR 11.A O no hydrogen 2.779 N/A LYS 251.A NZ GLU 46.A OE1 no hydrogen 2.637 N/A LYS 251.A NZ GLU 263.A O.A no hydrogen 2.701 N/A LYS 251.A NZ GLU 263.A O.B no hydrogen 2.867 N/A TRP 252.A N ILE 248.A O no hydrogen 3.257 N/A ALA 253.A N PRO 249.A O no hydrogen 2.921 N/A MET 254.A N VAL 250.A O no hydrogen 2.891 N/A LYS 255.A N.A LYS 251.A O no hydrogen 2.866 N/A LYS 255.A N.B LYS 251.A O no hydrogen 2.909 N/A LYS 256.A N TRP 252.A O no hydrogen 2.959 N/A MET 257.A N ALA 253.A O no hydrogen 2.894 N/A GLY 258.A N LYS 255.A O.A no hydrogen 2.887 N/A GLY 258.A N LYS 255.A O.B no hydrogen 2.902 N/A LEU 259.A N MET 254.A O no hydrogen 3.000 N/A ARG 265.A N GLU 46.A OE2 no hydrogen 3.155 N/A ARG 265.A NE ASP 16.A OD1 no hydrogen 2.726 N/A ARG 265.A NH1 THR 49.A O no hydrogen 2.896 N/A ARG 265.A NH1 GLU 54.A OE1 no hydrogen 2.922 N/A ARG 265.A NH2 ASP 16.A O no hydrogen 2.899 N/A ARG 265.A NH2 ASP 16.A OD1 no hydrogen 3.253 N/A ARG 265.A NH2 GLU 54.A OE2 no hydrogen 2.881 N/A MET 268.A N ARG 265.A O no hydrogen 3.036 N/A SER 272.A N GLU 244.A OE1 no hydrogen 3.040 N/A SER 272.A OG GLU 244.A OE1 no hydrogen 3.507 N/A SER 272.A OG GLU 244.A OE2 no hydrogen 2.619 N/A HIS 275.A N SER 272.A O no hydrogen 2.959 N/A HIS 276.A N GLU 273.A O.A no hydrogen 3.172 N/A HIS 276.A N GLU 273.A O.B no hydrogen 3.093 N/A LEU 279.A N HIS 275.A O no hydrogen 3.183 N/A GLU 280.A N HIS 276.A O no hydrogen 2.843 N/A LYS 281.A N GLN 277.A O.A no hydrogen 3.076 N/A LYS 281.A N GLN 277.A O.B no hydrogen 3.210 N/A VAL 282.A N ALA 278.A O no hydrogen 3.018 N/A LEU 283.A N LEU 279.A O no hydrogen 3.003 N/A LYS 284.A N GLU 280.A O no hydrogen 2.843 N/A ASN 285.A N.A LYS 281.A O no hydrogen 2.903 N/A ASN 285.A N.B LYS 281.A O no hydrogen 2.838 N/A LEU 286.A N VAL 282.A O no hydrogen 2.960 N/A GLU 287.A N LYS 284.A O no hydrogen 2.799 N/A LEU 288.A N LEU 283.A O no hydrogen 2.844 N/A ILE 289.A N.A LEU 283.A O no hydrogen 3.357 N/A ILE 289.A N.B LEU 283.A O no hydrogen 3.303 N/A