Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qrv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A OH ASP 51.A OD1 no hydrogen 2.583 N/A SER 5.A N ASP 8.A OD2 no hydrogen 2.958 N/A GLN 6.A NE2 ASP 51.A OD1 no hydrogen 3.472 N/A ASP 8.A N SER 5.A O no hydrogen 2.949 N/A LEU 9.A N GLN 6.A O no hydrogen 3.142 N/A THR 10.A N ASN 7.A O no hydrogen 3.276 N/A THR 10.A OG1 ASN 7.A O no hydrogen 2.754 N/A ARG 14.A N SER 11.A OG no hydrogen 3.217 N/A LEU 15.A N SER 11.A O no hydrogen 3.204 N/A ILE 16.A N THR 12.A O no hydrogen 2.979 N/A GLN 17.A N GLU 13.A O no hydrogen 3.011 N/A GLN 17.A NE2 GLU 13.A OE2 no hydrogen 3.386 N/A LEU 18.A N ARG 14.A O no hydrogen 2.752 N/A PHE 19.A N LEU 15.A O no hydrogen 2.829 N/A GLU 20.A N ILE 16.A O no hydrogen 2.847 N/A SER 21.A N GLN 17.A O no hydrogen 2.853 N/A TRP 22.A N LEU 18.A O no hydrogen 2.857 N/A TRP 22.A NE1 LEU 64.A O no hydrogen 3.137 N/A TRP 22.A NE1 ASN 65.A O no hydrogen 3.021 N/A MET 23.A N PHE 19.A O no hydrogen 2.881 N/A LEU 24.A N GLU 20.A O no hydrogen 3.175 N/A LYS 25.A N SER 21.A O no hydrogen 2.928 N/A HIS 26.A N TRP 22.A O no hydrogen 3.081 N/A HIS 26.A N MET 23.A O no hydrogen 3.292 N/A HIS 26.A ND1 TRP 22.A O no hydrogen 3.160 N/A ASN 27.A N LEU 24.A O no hydrogen 3.225 N/A LYS 28.A N MET 23.A O no hydrogen 2.920 N/A TYR 30.A OH ASP 69.A OD2 no hydrogen 2.477 N/A GLU 35.A N ASN 32.A O no hydrogen 3.267 N/A GLU 35.A N ASN 32.A OD1 no hydrogen 2.919 N/A LYS 36.A N ASN 32.A O no hydrogen 3.267 N/A LYS 36.A NZ GLU 20.A OE1 no hydrogen 3.347 N/A LYS 36.A NZ GLU 20.A OE2 no hydrogen 2.984 N/A ILE 37.A N ILE 33.A O no hydrogen 3.035 N/A TYR 38.A N ASP 34.A O no hydrogen 3.125 N/A ARG 39.A N GLU 35.A O no hydrogen 2.761 N/A ARG 39.A NE GLU 35.A OE2 no hydrogen 2.575 N/A ARG 39.A NH1 ASP 69.A O no hydrogen 2.881 N/A ARG 39.A NH1 GLU 74.A OE1 no hydrogen 2.800 N/A ARG 39.A NH1 GLU 74.A OE2 no hydrogen 3.155 N/A ARG 39.A NH2 GLU 35.A OE2 no hydrogen 2.984 N/A ARG 39.A NH2 GLU 74.A OE2 no hydrogen 2.843 N/A PHE 40.A N LYS 36.A O no hydrogen 2.890 N/A GLU 41.A N ILE 37.A O no hydrogen 3.098 N/A ILE 42.A N TYR 38.A O no hydrogen 3.171 N/A PHE 43.A N ARG 39.A O no hydrogen 2.863 N/A LYS 44.A N PHE 40.A O no hydrogen 2.730 N/A LYS 44.A NZ GLU 41.A OE2 no hydrogen 3.170 N/A ASP 45.A N GLU 41.A O no hydrogen 3.065 N/A ASN 46.A N ILE 42.A O no hydrogen 2.821 N/A ASN 46.A ND2 ALA 68.A O no hydrogen 2.844 N/A ASN 46.A ND2 MET 70.A O no hydrogen 2.891 N/A LEU 47.A N PHE 43.A O no hydrogen 2.901 N/A LYS 48.A N LYS 44.A O no hydrogen 3.094 N/A TYR 49.A N ASP 45.A O no hydrogen 3.079 N/A TYR 49.A OH ASP 229.A OD1 no hydrogen 2.767 N/A TYR 49.A OH ASP 229.A OD2 no hydrogen 3.380 N/A ILE 50.A N ASN 46.A O no hydrogen 2.744 N/A ASP 51.A N LEU 47.A O no hydrogen 2.750 N/A GLU 52.A N LYS 48.A O no hydrogen 2.992 N/A THR 53.A N TYR 49.A O no hydrogen 2.940 N/A THR 53.A OG1 TYR 49.A O no hydrogen 2.851 N/A ASN 54.A N ILE 50.A O no hydrogen 2.965 N/A ASN 54.A ND2 LEU 62.A O no hydrogen 2.877 N/A LYS 56.A N THR 53.A O no hydrogen 3.239 N/A LYS 56.A NZ GLU 52.A O no hydrogen 3.027 N/A SER 59.A OG ILE 237.A O no hydrogen 2.623 N/A TYR 60.A OH GLY 240.A O no hydrogen 2.520 N/A TRP 61.A N GLY 235.A O no hydrogen 2.976 N/A LEU 62.A N ASN 54.A OD1 no hydrogen 2.828 N/A GLY 63.A N LEU 232.A O no hydrogen 3.009 N/A LEU 64.A N VAL 2.A O no hydrogen 2.836 N/A ASN 65.A N GLY 63.A O no hydrogen 2.753 N/A ASN 65.A ND2 GLN 231.A O no hydrogen 2.954 N/A ASN 65.A ND2 TYR 233.A O no hydrogen 2.958 N/A VAL 66.A N GLY 269.A O no hydrogen 2.954 N/A PHE 67.A N ASN 65.A OD1 no hydrogen 2.870 N/A ALA 68.A N ASN 65.A O no hydrogen 3.097 N/A MET 70.A N PHE 67.A O no hydrogen 3.048 N/A ASN 72.A ND2 ALA 226.A O no hydrogen 2.864 N/A ASN 72.A ND2 GLN 231.A OE1 no hydrogen 2.963 N/A GLU 74.A N SER 71.A OG no hydrogen 3.038 N/A PHE 75.A N SER 71.A O no hydrogen 2.899 N/A LYS 76.A N ASN 72.A O no hydrogen 2.697 N/A GLU 77.A N GLU 74.A O no hydrogen 3.253 N/A LYS 78.A NZ GLY 81.A O no hydrogen 3.468 N/A THR 80.A OG1 LYS 78.A O no hydrogen 3.343 N/A THR 80.A OG1 THR 84.A OG1 no hydrogen 3.076 N/A THR 84.A OG1 THR 80.A OG1 no hydrogen 3.076 N/A THR 84.A OG1 ASP 247.A O no hydrogen 3.078 N/A THR 84.A OG1 HIS 248.A ND1 no hydrogen 2.634 N/A THR 85.A N ASP 247.A O no hydrogen 3.012 N/A THR 86.A N GLY 155.A O no hydrogen 3.427 N/A VAL 94.A N TYR 255.A O no hydrogen 2.828 N/A TRP 96.A N VAL 253.A O no hydrogen 2.967 N/A TRP 96.A NE1 ILE 214.A O no hydrogen 2.874 N/A ARG 97.A N ASP 95.A OD1 no hydrogen 3.051 N/A ARG 97.A NE ASP 95.A OD1 no hydrogen 3.054 N/A ARG 97.A NE ASP 95.A OD2 no hydrogen 3.375 N/A ARG 97.A NH2 ASP 95.A OD2 no hydrogen 3.050 N/A GLN 98.A N ASP 95.A O no hydrogen 2.937 N/A LYS 99.A N TRP 96.A O no hydrogen 3.112 N/A GLY 100.A N ARG 97.A O no hydrogen 3.270 N/A ALA 101.A N TRP 96.A O no hydrogen 3.211 N/A THR 103.A OG1 GLU 124.A OE1 no hydrogen 2.800 N/A LYS 106.A NZ GLU 124.A OE2 no hydrogen 2.737 N/A LYS 106.A NZ GLU 136.A OE1 no hydrogen 3.099 N/A LYS 106.A NZ GLU 139.A OE2 no hydrogen 2.620 N/A GLN 108.A N SER 265.A O no hydrogen 2.785 N/A GLN 108.A NE2 CYS 111.A O no hydrogen 2.965 N/A GLY 109.A N ASN 107.A OD1 no hydrogen 2.914 N/A CYS 111.A N GLY 109.A O no hydrogen 2.905 N/A GLY 112.A N CYS 152.A O no hydrogen 2.756 N/A SER 113.A OG TYR 177.A OH no hydrogen 2.775 N/A TRP 115.A NE1 GLY 151.A O no hydrogen 3.125 N/A ALA 116.A N SER 113.A O no hydrogen 2.802 N/A PHE 117.A N SER 113.A O no hydrogen 3.296 N/A SER 118.A N ALA 114.A O no hydrogen 2.754 N/A SER 118.A OG SER 220.A OG no hydrogen 2.667 N/A SER 118.A OG VAL 250.A O no hydrogen 2.829 N/A ALA 119.A N TRP 115.A O no hydrogen 3.152 N/A VAL 120.A N ALA 116.A O no hydrogen 2.850 N/A SER 121.A N PHE 117.A O no hydrogen 2.952 N/A THR 122.A N SER 118.A O no hydrogen 3.360 N/A THR 122.A OG1 ALA 119.A O no hydrogen 2.824 N/A ILE 123.A N ALA 119.A O no hydrogen 3.112 N/A GLU 124.A N VAL 120.A O no hydrogen 2.827 N/A SER 125.A N SER 121.A O no hydrogen 3.096 N/A SER 125.A OG ALA 101.A O no hydrogen 2.719 N/A SER 125.A OG SER 121.A O no hydrogen 3.093 N/A ILE 126.A N THR 122.A O no hydrogen 3.013 N/A ILE 127.A N ILE 123.A O no hydrogen 3.036 N/A LYS 128.A N GLU 124.A O no hydrogen 3.277 N/A ILE 129.A N SER 125.A O no hydrogen 2.827 N/A ARG 130.A N ILE 126.A O no hydrogen 2.919 N/A ARG 130.A NE LYS 300.A O no hydrogen 2.845 N/A THR 131.A N ILE 127.A O no hydrogen 2.838 N/A THR 131.A OG1 ILE 127.A O no hydrogen 2.493 N/A GLY 132.A N LYS 128.A O no hydrogen 2.665 N/A TYR 137.A N GLU 124.A OE2 no hydrogen 3.017 N/A SER 138.A N HIS 170.A O no hydrogen 2.994 N/A SER 138.A OG TYR 175.A O no hydrogen 2.673 N/A GLN 140.A NE2 ASP 144.A OD1 no hydrogen 2.903 N/A GLN 140.A NE2 ASP 144.A OD2 no hydrogen 3.473 N/A GLN 140.A NE2 VAL 180.A O no hydrogen 2.948 N/A GLU 141.A N SER 138.A OG no hydrogen 2.912 N/A LEU 143.A N GLU 139.A O no hydrogen 2.916 N/A ASP 144.A N GLN 140.A O no hydrogen 2.838 N/A CYS 145.A N GLU 141.A O no hydrogen 2.892 N/A CYS 145.A SG GLU 141.A O no hydrogen 3.172 N/A CYS 145.A SG SER 186.A OG no hydrogen 3.261 N/A ASP 146.A N LEU 142.A O no hydrogen 2.947 N/A ARG 148.A N ASP 146.A OD1 no hydrogen 3.110 N/A SER 149.A N ASP 146.A O no hydrogen 3.161 N/A SER 149.A OG ASP 146.A OD2 no hydrogen 2.717 N/A TYR 150.A N GLY 154.A O no hydrogen 2.727 N/A CYS 152.A SG GLY 179.A O no hydrogen 3.681 N/A ASN 153.A N TYR 150.A O no hydrogen 2.962 N/A GLY 154.A N GLY 151.A O no hydrogen 3.331 N/A GLY 155.A N THR 84.A O no hydrogen 2.927 N/A TYR 156.A N SER 149.A OG no hydrogen 2.944 N/A TYR 156.A OH GLU 87.A O no hydrogen 2.782 N/A SER 159.A OG ASP 146.A OD1 no hydrogen 2.686 N/A SER 159.A OG ASP 146.A OD2 no hydrogen 3.219 N/A ALA 160.A N TYR 156.A O no hydrogen 3.060 N/A LEU 161.A N PRO 157.A O no hydrogen 2.906 N/A GLN 162.A N TRP 158.A O no hydrogen 2.969 N/A LEU 163.A N SER 159.A O no hydrogen 2.970 N/A VAL 164.A N ALA 160.A O no hydrogen 3.331 N/A ALA 165.A N LEU 161.A O no hydrogen 3.114 N/A GLN 166.A N GLN 162.A O no hydrogen 2.910 N/A TYR 167.A N LEU 163.A O no hydrogen 2.803 N/A GLY 168.A N LEU 163.A O no hydrogen 3.308 N/A ILE 169.A N ALA 194.A O no hydrogen 2.866 N/A HIS 170.A N GLU 141.A OE1 no hydrogen 2.616 N/A HIS 170.A ND1 GLU 141.A OE2 no hydrogen 2.579 N/A HIS 170.A NE2 GLY 190.A O no hydrogen 2.627 N/A ARG 172.A N GLU 136.A O no hydrogen 2.821 N/A TYR 175.A N TYR 171.A O no hydrogen 3.165 N/A TYR 175.A N ARG 172.A O no hydrogen 3.071 N/A TYR 175.A OH ASP 144.A OD2 no hydrogen 2.533 N/A TYR 177.A OH GLN 108.A O no hydrogen 2.634 N/A TYR 177.A OH SER 113.A OG no hydrogen 2.775 N/A GLU 178.A N GLN 140.A OE1 no hydrogen 2.705 N/A GLN 181.A NE2 LEU 143.A O no hydrogen 3.101 N/A ARG 182.A N ASP 144.A OD1 no hydrogen 2.850 N/A ARG 182.A NE GLU 178.A OE2 no hydrogen 3.075 N/A TYR 183.A OH GLU 188.A OE2 no hydrogen 2.872 N/A CYS 184.A SG SER 186.A OG no hydrogen 3.575 N/A ARG 185.A N TYR 175.A OH no hydrogen 2.949 N/A ARG 185.A NE TYR 183.A O no hydrogen 3.178 N/A ARG 185.A NH1 GLU 178.A OE1 no hydrogen 2.929 N/A ARG 185.A NH2 ASP 144.A OD2 no hydrogen 2.735 N/A ARG 185.A NH2 GLU 178.A OE1 no hydrogen 2.865 N/A SER 186.A OG GLU 141.A OE2 no hydrogen 2.703 N/A GLU 188.A N ARG 185.A O no hydrogen 3.100 N/A LYS 189.A N SER 186.A O no hydrogen 3.172 N/A LYS 189.A NZ THR 174.A O no hydrogen 2.966 N/A ALA 193.A N ILE 169.A O no hydrogen 2.849 N/A ALA 194.A N ILE 169.A O no hydrogen 3.197 N/A LYS 195.A NZ ALA 165.A O no hydrogen 2.805 N/A LYS 195.A NZ THR 196.A O no hydrogen 3.141 N/A THR 196.A N VAL 164.A O no hydrogen 3.203 N/A ASP 197.A N VAL 299.A O no hydrogen 2.694 N/A ARG 200.A N TYR 297.A O no hydrogen 2.901 N/A ARG 200.A NH1 VAL 199.A O no hydrogen 3.445 N/A VAL 202.A N SER 295.A O no hydrogen 2.837 N/A TYR 205.A N TYR 292.A O no hydrogen 2.813 N/A ALA 209.A N ASN 206.A OD1 no hydrogen 2.870 N/A LEU 210.A N ASN 206.A O no hydrogen 3.206 N/A LEU 211.A N GLU 207.A O no hydrogen 2.929 N/A TYR 212.A N GLY 208.A O no hydrogen 2.995 N/A SER 213.A N ALA 209.A O no hydrogen 3.100 N/A ILE 214.A N LEU 210.A O no hydrogen 2.894 N/A ALA 215.A N LEU 211.A O no hydrogen 2.965 N/A ASN 216.A N SER 213.A O no hydrogen 2.934 N/A GLN 217.A N SER 213.A O no hydrogen 2.943 N/A VAL 219.A N ALA 252.A O no hydrogen 3.132 N/A SER 220.A N PHE 296.A O no hydrogen 2.770 N/A SER 220.A OG SER 118.A OG no hydrogen 2.667 N/A VAL 221.A N VAL 250.A O no hydrogen 3.045 N/A LEU 223.A N HIS 248.A O no hydrogen 2.961 N/A GLU 224.A N CYS 289.A O no hydrogen 2.890 N/A ALA 225.A N ASP 247.A OD1 no hydrogen 2.836 N/A GLN 231.A N GLY 227.A O no hydrogen 2.899 N/A GLN 231.A NE2 PHE 67.A O no hydrogen 3.058 N/A GLN 231.A NE2 MET 70.A O no hydrogen 2.901 N/A LEU 232.A N LYS 228.A O no hydrogen 2.969 N/A TYR 233.A N PHE 230.A O no hydrogen 3.290 N/A TYR 233.A OH GLY 236.A O no hydrogen 2.646 N/A ARG 234.A N TRP 61.A O no hydrogen 3.041 N/A ARG 234.A NH1 GLY 271.A O no hydrogen 3.485 N/A GLY 235.A N TRP 61.A O no hydrogen 3.343 N/A GLY 236.A N GLU 272.A OE2 no hydrogen 2.758 N/A ILE 237.A N SER 59.A O no hydrogen 3.155 N/A PHE 238.A N ARG 277.A O no hydrogen 2.785 N/A GLY 243.A N GLU 224.A OE1 no hydrogen 2.515 N/A LYS 245.A N GLU 224.A OE2 no hydrogen 2.788 N/A ASP 247.A N LEU 223.A O no hydrogen 2.908 N/A HIS 248.A N LEU 223.A O no hydrogen 3.139 N/A HIS 248.A ND1 THR 84.A OG1 no hydrogen 2.634 N/A HIS 248.A NE2 ASN 264.A OD1 no hydrogen 2.766 N/A VAL 250.A N VAL 221.A O no hydrogen 2.886 N/A ALA 251.A N ARG 263.A O no hydrogen 3.070 N/A ALA 252.A N VAL 219.A O no hydrogen 2.788 N/A VAL 253.A N LEU 261.A O no hydrogen 2.927 N/A TYR 255.A N VAL 94.A O no hydrogen 2.804 N/A TYR 255.A OH PRO 91.A O no hydrogen 2.819 N/A GLY 256.A N TYR 259.A O no hydrogen 2.998 N/A TYR 259.A N GLY 256.A O no hydrogen 3.386 N/A ILE 260.A N ILE 278.A O no hydrogen 2.793 N/A LEU 261.A N GLY 254.A O no hydrogen 2.723 N/A ILE 262.A N ILE 276.A O no hydrogen 2.863 N/A ARG 263.A N ALA 251.A O no hydrogen 2.726 N/A ARG 263.A NH1 THR 103.A O no hydrogen 2.778 N/A ARG 263.A NH1 TYR 275.A OH no hydrogen 3.100 N/A ARG 263.A NH2 PRO 104.A O no hydrogen 2.974 N/A ASN 264.A N GLY 274.A O no hydrogen 3.092 N/A SER 265.A N ASN 264.A OD1 no hydrogen 2.751 N/A SER 265.A OG GLN 108.A OE1 no hydrogen 2.741 N/A TRP 266.A NE1 THR 80.A O no hydrogen 3.046 N/A GLY 267.A N LYS 106.A O no hydrogen 3.030 N/A TRP 270.A NE1 PHE 230.A O no hydrogen 2.937 N/A GLY 271.A N TYR 233.A O no hydrogen 3.157 N/A GLU 272.A N TYR 275.A O no hydrogen 2.743 N/A ASN 273.A N GLY 271.A O no hydrogen 3.080 N/A GLY 274.A N TRP 270.A O no hydrogen 2.860 N/A TYR 275.A N GLU 272.A O no hydrogen 3.125 N/A ILE 276.A N ILE 262.A O no hydrogen 2.940 N/A ARG 277.A NE GLU 272.A OE1 no hydrogen 2.883 N/A ARG 277.A NH2 GLU 272.A OE2 no hydrogen 2.720 N/A ILE 278.A N ILE 260.A O no hydrogen 2.991 N/A LYS 279.A N PHE 238.A O no hydrogen 2.899 N/A ARG 280.A N ASN 258.A O no hydrogen 2.955 N/A ARG 280.A NE GLY 256.A O no hydrogen 2.985 N/A ARG 280.A NH1 GLU 207.A OE1 no hydrogen 3.002 N/A ARG 280.A NH2 GLY 256.A O no hydrogen 3.245 N/A GLY 281.A N GLU 207.A OE2 no hydrogen 2.784 N/A TYR 286.A N ASN 284.A OD1 no hydrogen 3.001 N/A GLY 287.A N ASN 284.A O no hydrogen 2.967 N/A GLY 290.A N GLY 287.A O no hydrogen 2.892 N/A LEU 291.A N VAL 288.A O no hydrogen 3.162 N/A TYR 292.A N TYR 286.A O no hydrogen 2.805 N/A TYR 292.A OH GLU 207.A OE2 no hydrogen 2.507 N/A THR 293.A N GLY 290.A O no hydrogen 3.086 N/A THR 293.A OG1 GLY 290.A O no hydrogen 2.683 N/A PHE 296.A N SER 220.A O no hydrogen 2.949 N/A TYR 297.A N ARG 200.A O no hydrogen 2.929 N/A VAL 299.A N GLY 198.A O no hydrogen 2.910 N/A LYS 300.A NZ LYS 195.A O no hydrogen 2.959 N/A ASN 301.A N ASP 197.A OD2 no hydrogen 2.570 N/A