Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wlr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N GLU 2.A OE2 no hydrogen 2.720 N/A CYS 4.A N ASN 136.A OD1 no hydrogen 3.149 N/A CYS 4.A SG LEU 5.A O no hydrogen 3.450 N/A CYS 4.A SG ASN 136.A OD1 no hydrogen 3.454 N/A SER 8.A OG SER 8.A O no hydrogen 2.667 N/A VAL 12.A N ASP 9.A OD1 no hydrogen 2.851 N/A PHE 13.A N ASP 9.A O no hydrogen 2.935 N/A THR 14.A N PRO 10.A O no hydrogen 2.756 N/A THR 14.A OG1 PRO 10.A O no hydrogen 2.699 N/A GLU 15.A N GLY 11.A O no hydrogen 3.105 N/A LEU 16.A N VAL 12.A O no hydrogen 2.874 N/A ILE 17.A N PHE 13.A O no hydrogen 3.113 N/A LYS 18.A N THR 14.A O no hydrogen 3.144 N/A LYS 18.A NZ GLU 15.A OE2 no hydrogen 3.200 N/A GLY 19.A N GLU 15.A O no hydrogen 2.813 N/A PHE 20.A N LEU 16.A O no hydrogen 2.840 N/A GLY 21.A N LYS 18.A O no hydrogen 3.004 N/A CYS 22.A N ILE 17.A O no hydrogen 3.159 N/A CYS 22.A SG HIS 101.A O no hydrogen 3.751 N/A ARG 23.A N HIS 101.A O no hydrogen 2.855 N/A GLN 26.A N VAL 209.A O no hydrogen 2.952 N/A GLN 26.A NE2 GLU 28.A OE2 no hydrogen 2.682 N/A GLN 26.A NE2 GLU 251.A OE1 no hydrogen 3.040 N/A VAL 27.A N THR 14.A OG1 no hydrogen 2.884 N/A GLU 28.A N ALA 207.A O no hydrogen 2.901 N/A ILE 30.A N LEU 205.A O no hydrogen 2.869 N/A GLU 34.A N SER 32.A OG no hydrogen 3.133 N/A SER 37.A N GLU 34.A O no hydrogen 2.883 N/A SER 37.A OG SER 32.A O no hydrogen 2.954 N/A SER 37.A OG GLU 34.A O no hydrogen 3.125 N/A PHE 38.A N PRO 35.A O no hydrogen 3.234 N/A GLU 39.A N PRO 35.A O no hydrogen 3.241 N/A LYS 40.A N GLU 36.A O no hydrogen 3.390 N/A LEU 41.A N PHE 38.A O no hydrogen 2.788 N/A HIS 45.A N ILE 208.A O no hydrogen 2.779 N/A HIS 45.A NE2 SER 210.A OG no hydrogen 2.744 N/A LEU 47.A N TYR 153.A O no hydrogen 2.905 N/A ILE 48.A N MET 206.A O no hydrogen 2.886 N/A PHE 49.A N VAL 151.A O no hydrogen 2.855 N/A LEU 50.A N ASN 204.A O no hydrogen 2.816 N/A PHE 51.A N HIS 149.A O no hydrogen 3.164 N/A TRP 53.A N ALA 147.A O no hydrogen 2.853 N/A GLN 54.A NE2 GLU 57.A OE2 no hydrogen 2.847 N/A VAL 64.A N PRO 170.A O no hydrogen 2.863 N/A ARG 68.A N ASP 66.A OD1 no hydrogen 3.082 N/A ARG 68.A NE ASP 66.A OD1 no hydrogen 3.069 N/A ARG 68.A NE ASP 66.A OD2 no hydrogen 3.073 N/A ARG 68.A NH1 TYR 161.A OH no hydrogen 3.015 N/A ARG 68.A NH1 ASP 172.A OD2 no hydrogen 2.623 N/A ARG 68.A NH2 ASP 66.A OD2 no hydrogen 3.028 N/A LEU 69.A N ASP 66.A O no hydrogen 3.053 N/A GLU 70.A N SER 67.A O no hydrogen 2.900 N/A THR 71.A N ARG 68.A O no hydrogen 3.025 N/A THR 71.A OG1 ARG 68.A O no hydrogen 3.500 N/A ILE 72.A N ARG 68.A O no hydrogen 2.948 N/A PHE 73.A N ASN 94.A OD1 no hydrogen 2.815 N/A LYS 76.A N ALA 118.A O no hydrogen 2.873 N/A LYS 76.A NZ GLY 165.A O no hydrogen 2.945 N/A LYS 76.A NZ ARG 167.A O no hydrogen 2.938 N/A GLN 77.A N GLY 165.A O no hydrogen 2.830 N/A ASN 81.A ND2 TRP 3.A O no hydrogen 3.166 N/A CYS 83.A SG GLN 77.A OE1 no hydrogen 3.107 N/A CYS 83.A SG PHE 150.A O no hydrogen 3.052 N/A THR 85.A OG1 HIS 135.A ND1 no hydrogen 2.762 N/A GLN 86.A N ALA 82.A O no hydrogen 2.933 N/A GLN 86.A NE2 ALA 75.A O no hydrogen 3.007 N/A GLN 86.A NE2 LYS 76.A O no hydrogen 2.649 N/A ALA 87.A N CYS 83.A O no hydrogen 2.873 N/A ILE 88.A N ALA 84.A O no hydrogen 3.108 N/A VAL 89.A N THR 85.A O no hydrogen 2.855 N/A SER 90.A N GLN 86.A O no hydrogen 2.892 N/A SER 90.A OG GLN 86.A O no hydrogen 2.827 N/A VAL 91.A N ALA 87.A O no hydrogen 3.180 N/A VAL 91.A N ILE 88.A O no hydrogen 3.006 N/A LEU 92.A N ILE 88.A O no hydrogen 2.925 N/A LEU 93.A N VAL 89.A O no hydrogen 2.883 N/A ASN 94.A N VAL 91.A O no hydrogen 3.074 N/A ASN 94.A ND2 PHE 73.A O no hydrogen 2.924 N/A ASN 94.A ND2 SER 90.A O no hydrogen 2.844 N/A CYS 95.A N LEU 92.A O no hydrogen 3.129 N/A CYS 95.A SG HIS 45.A ND1 no hydrogen 3.865 N/A ASP 99.A N HIS 97.A ND1 no hydrogen 3.036 N/A VAL 100.A N HIS 97.A O no hydrogen 3.082 N/A HIS 101.A N ARG 23.A O no hydrogen 2.937 N/A SER 107.A N GLY 103.A O no hydrogen 2.955 N/A SER 107.A OG GLY 103.A O no hydrogen 2.916 N/A GLU 108.A N GLU 104.A O no hydrogen 2.909 N/A PHE 109.A N THR 105.A O no hydrogen 3.048 N/A LYS 110.A N LEU 106.A O no hydrogen 2.955 N/A LYS 110.A NZ LEU 93.A O no hydrogen 3.327 N/A GLU 111.A N SER 107.A O no hydrogen 3.055 N/A PHE 112.A N GLU 108.A O no hydrogen 2.776 N/A SER 113.A N PHE 109.A O no hydrogen 2.969 N/A SER 113.A OG PHE 109.A O no hydrogen 2.907 N/A PHE 116.A N SER 113.A O no hydrogen 3.033 N/A MET 120.A N ASP 117.A OD1 no hydrogen 2.838 N/A LYS 121.A N ASP 117.A O no hydrogen 2.920 N/A LYS 121.A NZ GLN 114.A O no hydrogen 3.277 N/A LYS 121.A NZ PHE 116.A O no hydrogen 2.901 N/A GLY 122.A N ALA 118.A O no hydrogen 3.146 N/A LEU 123.A N ALA 119.A O no hydrogen 2.978 N/A ALA 124.A N MET 120.A O no hydrogen 2.826 N/A LEU 125.A N LYS 121.A O no hydrogen 2.956 N/A SER 126.A N GLY 122.A O no hydrogen 3.055 N/A SER 126.A OG LEU 123.A O no hydrogen 2.730 N/A ASN 127.A N ALA 124.A O no hydrogen 3.110 N/A SER 128.A N LEU 125.A O no hydrogen 3.073 N/A ILE 131.A N SER 128.A OG no hydrogen 3.338 N/A ARG 132.A N SER 128.A O no hydrogen 2.860 N/A ARG 132.A NH1 GLU 2.A O no hydrogen 3.208 N/A GLN 133.A N ASP 129.A O no hydrogen 2.826 N/A VAL 134.A N VAL 130.A O no hydrogen 3.354 N/A HIS 135.A N ILE 131.A O no hydrogen 3.016 N/A HIS 135.A ND1 THR 85.A OG1 no hydrogen 2.762 N/A HIS 135.A NE2 CYS 4.A O no hydrogen 2.684 N/A ASN 136.A N ARG 132.A O no hydrogen 2.916 N/A ASN 136.A ND2 GLU 2.A O no hydrogen 2.870 N/A SER 137.A N VAL 134.A O no hydrogen 3.008 N/A SER 137.A OG VAL 134.A O no hydrogen 2.701 N/A PHE 138.A N HIS 135.A O no hydrogen 3.262 N/A GLN 141.A NE2 GLN 142.A O no hydrogen 3.280 N/A HIS 149.A N PHE 51.A O no hydrogen 2.915 N/A HIS 149.A NE2 ASP 164.A OD1 no hydrogen 2.610 N/A VAL 151.A N PHE 49.A O no hydrogen 2.871 N/A SER 152.A N LEU 163.A O no hydrogen 3.111 N/A SER 152.A OG ALA 87.A O no hydrogen 2.713 N/A TYR 153.A N LEU 47.A O no hydrogen 2.806 N/A VAL 154.A N TYR 161.A O no hydrogen 2.940 N/A VAL 156.A N ARG 159.A O no hydrogen 2.721 N/A GLY 158.A N GLN 178.A OE1 no hydrogen 3.018 N/A ARG 159.A N VAL 156.A O no hydrogen 3.127 N/A ARG 159.A NE ASP 172.A OD1 no hydrogen 3.289 N/A ARG 159.A NE ASP 172.A OD2 no hydrogen 2.920 N/A ARG 159.A NH1 ASP 172.A OD1 no hydrogen 3.051 N/A ARG 159.A NH1 ASP 172.A OD2 no hydrogen 3.464 N/A LEU 160.A N GLY 174.A O no hydrogen 2.969 N/A TYR 161.A N VAL 154.A O no hydrogen 3.062 N/A GLU 162.A N ILE 171.A O no hydrogen 2.903 N/A LEU 163.A N SER 152.A O no hydrogen 2.791 N/A LEU 166.A N ASP 164.A OD1 no hydrogen 2.997 N/A ARG 167.A N ASP 164.A O no hydrogen 2.759 N/A ARG 167.A NH1 GLU 57.A O no hydrogen 3.120 N/A ARG 167.A NH2 GLU 57.A O no hydrogen 3.222 N/A ILE 171.A N GLU 162.A O no hydrogen 2.955 N/A ASP 172.A N SER 62.A O no hydrogen 2.856 N/A LEU 173.A N LEU 160.A O no hydrogen 2.720 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 2.755 N/A CYS 176.A N GLY 158.A O no hydrogen 2.920 N/A GLN 178.A NE2 PRO 155.A O no hydrogen 3.175 N/A ASP 180.A N ASN 177.A O no hydrogen 2.901 N/A TRP 181.A NE1 VAL 44.A O no hydrogen 2.795 N/A ALA 184.A N TRP 181.A O no hydrogen 2.913 N/A VAL 185.A N ILE 182.A O no hydrogen 3.013 N/A ARG 186.A N ILE 182.A O no hydrogen 3.053 N/A ARG 186.A NE LEU 33.A O no hydrogen 3.060 N/A ILE 189.A N VAL 185.A O no hydrogen 3.064 N/A GLU 190.A N ARG 186.A O no hydrogen 3.127 N/A LYS 191.A N PRO 187.A O no hydrogen 3.011 N/A ARG 192.A N VAL 188.A O no hydrogen 3.080 N/A ARG 192.A NE GLU 57.A OE1 no hydrogen 2.469 N/A ARG 192.A NH1 GLU 162.A OE2 no hydrogen 2.720 N/A ARG 192.A NH2 GLU 57.A OE1 no hydrogen 2.794 N/A ILE 193.A N ILE 189.A O no hydrogen 2.920 N/A GLN 194.A N GLU 190.A O no hydrogen 2.910 N/A LYS 195.A N ARG 192.A O no hydrogen 3.018 N/A TYR 196.A N ILE 193.A O no hydrogen 3.119 N/A TYR 196.A OH LYS 52.A O no hydrogen 2.661 N/A GLY 199.A N SER 197.A OG no hydrogen 3.080 N/A GLU 200.A N SER 197.A O no hydrogen 2.989 N/A ARG 202.A N GLU 200.A OE2 no hydrogen 2.830 N/A ARG 202.A NE GLU 200.A OE2 no hydrogen 2.957 N/A ARG 202.A NH1 ASP 146.A OD2 no hydrogen 2.944 N/A ARG 202.A NH2 GLU 200.A OE1 no hydrogen 2.940 N/A PHE 203.A N ILE 201.A O no hydrogen 2.830 N/A ASN 204.A N LEU 50.A O no hydrogen 3.057 N/A MET 206.A N ILE 48.A O no hydrogen 2.902 N/A ALA 207.A N GLU 28.A O no hydrogen 2.738 N/A ILE 208.A N GLY 46.A O no hydrogen 2.916 N/A VAL 209.A N GLN 26.A O no hydrogen 2.972 N/A SER 210.A N PRO 43.A O no hydrogen 3.190 N/A SER 210.A OG HIS 45.A NE2 no hydrogen 2.744 N/A SER 210.A OG ASP 99.A OD2 no hydrogen 2.592 N/A ASP 211.A N GLY 24.A O no hydrogen 2.917 N/A ARG 212.A N GLN 26.A OE1 no hydrogen 2.849 N/A ARG 212.A NE TYR 216.A OH no hydrogen 3.315 N/A ARG 212.A NH1 LYS 42.A O no hydrogen 3.159 N/A ARG 212.A NH2 TYR 216.A OH no hydrogen 3.164 N/A LYS 213.A NZ GLU 217.A OE2 no hydrogen 2.620 N/A MET 214.A N ASP 211.A OD1 no hydrogen 2.762 N/A ILE 215.A N ASP 211.A O no hydrogen 3.303 N/A TYR 216.A N ARG 212.A O no hydrogen 2.980 N/A GLU 217.A N LYS 213.A O no hydrogen 2.943 N/A GLN 218.A N MET 214.A O no hydrogen 2.925 N/A LYS 219.A N ILE 215.A O no hydrogen 2.948 N/A ILE 220.A N TYR 216.A O no hydrogen 3.016 N/A ALA 221.A N GLU 217.A O no hydrogen 3.099 N/A GLU 222.A N GLN 218.A O no hydrogen 3.113 N/A LEU 223.A N LYS 219.A O no hydrogen 2.962 N/A GLN 224.A N ILE 220.A O no hydrogen 2.863 N/A ARG 225.A N ALA 221.A O no hydrogen 3.072 N/A ARG 225.A NH1 GLU 229.A OE2 no hydrogen 3.327 N/A GLN 226.A N GLU 222.A O no hydrogen 3.174 N/A LEU 227.A N LEU 223.A O no hydrogen 2.983 N/A ALA 228.A N GLN 224.A O no hydrogen 2.981 N/A GLU 229.A N ARG 225.A O no hydrogen 2.981 N/A SER 235.A OG THR 232.A O no hydrogen 2.896 N/A ALA 236.A N THR 232.A O no hydrogen 3.242 N/A ILE 237.A N VAL 233.A O no hydrogen 3.038 N/A GLN 238.A N LEU 234.A O no hydrogen 3.025 N/A SER 239.A N SER 235.A O no hydrogen 2.838 N/A SER 239.A OG SER 235.A O no hydrogen 2.635 N/A GLU 240.A N ALA 236.A O no hydrogen 3.086 N/A VAL 241.A N ILE 237.A O no hydrogen 2.971 N/A ALA 242.A N GLN 238.A O no hydrogen 2.985 N/A ARG 243.A N SER 239.A O no hydrogen 2.939 N/A ASN 244.A N GLU 240.A O no hydrogen 3.110 N/A ASN 244.A ND2 GLU 240.A O no hydrogen 2.814 N/A GLN 245.A N VAL 241.A O no hydrogen 2.975 N/A MET 246.A N ALA 242.A O no hydrogen 2.954 N/A LEU 247.A N ARG 243.A O no hydrogen 3.000 N/A ILE 248.A N ASN 244.A O no hydrogen 2.944 N/A GLU 249.A N GLN 245.A O no hydrogen 3.056 N/A GLU 250.A N MET 246.A O no hydrogen 2.940 N/A GLU 251.A N LEU 247.A O no hydrogen 2.975 N/A VAL 252.A N ILE 248.A O no hydrogen 3.030 N/A GLN 253.A N GLU 249.A O no hydrogen 3.004 N/A LYS 254.A N GLU 250.A O no hydrogen 2.904 N/A LYS 254.A NZ GLU 28.A OE1 no hydrogen 3.131 N/A LYS 254.A NZ GLU 28.A OE2 no hydrogen 2.856 N/A LYS 254.A NZ GLU 251.A OE2 no hydrogen 2.830 N/A LEU 255.A N GLU 251.A O no hydrogen 3.038 N/A LYS 256.A N VAL 252.A O no hydrogen 3.132 N/A ARG 257.A N GLN 253.A O no hydrogen 2.967 N/A ARG 257.A NH1 GLU 261.A OE2 no hydrogen 3.237 N/A TYR 258.A N LYS 254.A O no hydrogen 3.005 N/A LYS 259.A N LEU 255.A O no hydrogen 3.198 N/A LYS 259.A NZ GLU 15.A OE2 no hydrogen 3.223 N/A LYS 259.A NZ LEU 255.A O no hydrogen 3.329 N/A ILE 260.A N LYS 256.A O no hydrogen 3.251 N/A GLU 261.A N ARG 257.A O no hydrogen 2.927 N/A ASN 262.A N TYR 258.A O no hydrogen 3.025 N/A ILE 263.A N LYS 259.A O no hydrogen 3.056 N/A ARG 264.A N ILE 260.A O no hydrogen 2.974 N/A ARG 265.A N GLU 261.A O no hydrogen 2.819 N/A LYS 266.A N ASN 262.A O no hydrogen 3.060 N/A LYS 266.A NZ SER 137.A O no hydrogen 2.522 N/A TYR 269.A OH ARG 264.A O no hydrogen 2.589 N/A LEU 270.A N ASN 268.A OD1 no hydrogen 2.882 N/A ILE 273.A N TYR 269.A O no hydrogen 2.876 N/A MET 274.A N LEU 270.A O no hydrogen 2.863 N/A GLU 275.A N PRO 271.A O no hydrogen 3.052 N/A LEU 276.A N PHE 272.A O no hydrogen 2.849 N/A LEU 277.A N ILE 273.A O no hydrogen 2.997 N/A LYS 278.A N MET 274.A O no hydrogen 3.044 N/A THR 279.A N GLU 275.A O no hydrogen 2.851 N/A THR 279.A OG1 GLU 275.A O no hydrogen 2.729 N/A LEU 280.A N LEU 276.A O no hydrogen 2.894 N/A ALA 281.A N LEU 277.A O no hydrogen 3.075 N/A GLU 282.A N LYS 278.A O no hydrogen 3.034 N/A HIS 283.A N THR 279.A O no hydrogen 3.163 N/A HIS 283.A ND1 THR 279.A O no hydrogen 3.097 N/A GLN 284.A N ALA 281.A O no hydrogen 2.641 N/A GLN 285.A N LEU 280.A O no hydrogen 2.903 N/A GLN 285.A NE2 HIS 283.A O no hydrogen 3.434 N/A VAL 290.A N LEU 286.A O no hydrogen 2.984 N/A GLU 291.A N ILE 287.A O no hydrogen 3.252 N/A LYS 292.A N PRO 288.A O no hydrogen 3.186 N/A LYS 292.A N LEU 289.A O no hydrogen 3.248 N/A ALA 293.A N LEU 289.A O no hydrogen 3.247 N/A ALA 293.A N VAL 290.A O no hydrogen 2.897 N/A LYS 294.A N VAL 290.A O no hydrogen 2.883 N/A GLU 295.A N GLU 291.A O no hydrogen 3.211 N/A