Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w2r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 3.A ND2 SER 71.A OG no hydrogen 2.817 N/A ALA 5.A N ASN 3.A OD1 no hydrogen 3.000 N/A ARG 8.A NH2 LEU 81.A O no hydrogen 2.823 N/A LEU 10.A N ILE 83.A O no hydrogen 2.930 N/A LYS 11.A NZ GLU 37.A OE2 no hydrogen 3.292 N/A GLU 14.A N LYS 11.A O no hydrogen 3.180 N/A PHE 15.A N GLU 12.A O no hydrogen 3.142 N/A LYS 16.A N LEU 33.A O no hydrogen 3.080 N/A LYS 17.A NZ GLN 90.A OE1 no hydrogen 3.019 N/A ILE 18.A N LYS 31.A O no hydrogen 2.865 N/A LYS 19.A N LYS 31.A O no hydrogen 3.464 N/A LEU 21.A N VAL 29.A O no hydrogen 2.861 N/A GLY 22.A N VAL 29.A O no hydrogen 3.369 N/A SER 23.A OG THR 28.A OG1 no hydrogen 2.956 N/A GLY 24.A N GLY 27.A O no hydrogen 2.953 N/A GLY 27.A N GLY 24.A O no hydrogen 3.170 N/A THR 28.A N GLU 49.A O no hydrogen 2.858 N/A THR 28.A OG1 SER 23.A OG no hydrogen 2.956 N/A VAL 29.A N GLY 22.A O no hydrogen 3.009 N/A TYR 30.A N ILE 47.A O no hydrogen 2.767 N/A TYR 30.A OH GLU 49.A OE2 no hydrogen 3.040 N/A LYS 31.A N LYS 19.A O no hydrogen 2.890 N/A LYS 31.A NZ GLU 284.A O no hydrogen 3.453 N/A GLY 32.A N VAL 45.A O no hydrogen 2.807 N/A LEU 33.A N LYS 16.A O no hydrogen 2.949 N/A TRP 34.A N ILE 43.A O no hydrogen 2.703 N/A TRP 34.A NE1 GLU 14.A OE1 no hydrogen 3.232 N/A ILE 35.A N GLU 14.A O no hydrogen 2.757 N/A LYS 42.A N ASP 289.A O no hydrogen 3.097 N/A LYS 42.A NZ ASP 286.A OD2 no hydrogen 3.234 N/A ILE 43.A N TRP 34.A O no hydrogen 2.722 N/A VAL 45.A N GLY 32.A O no hydrogen 3.162 N/A ALA 46.A N MET 93.A O no hydrogen 2.884 N/A ILE 47.A N TYR 30.A O no hydrogen 2.970 N/A LYS 48.A N LEU 91.A O no hydrogen 2.858 N/A LYS 48.A NZ ASP 158.A OD1 no hydrogen 2.910 N/A GLU 49.A N THR 28.A O no hydrogen 2.700 N/A LEU 50.A N VAL 89.A O no hydrogen 2.868 N/A ARG 51.A N PHE 26.A O no hydrogen 3.072 N/A LYS 57.A NZ GLU 61.A OE1 no hydrogen 3.162 N/A ALA 58.A N SER 55.A OG no hydrogen 3.313 N/A ASN 59.A N SER 55.A O no hydrogen 3.007 N/A LYS 60.A N PRO 56.A O no hydrogen 3.056 N/A GLU 61.A N LYS 57.A O no hydrogen 3.189 N/A ILE 62.A N ALA 58.A O no hydrogen 3.222 N/A ILE 62.A N ASN 59.A O no hydrogen 3.189 N/A LEU 63.A N LYS 60.A O no hydrogen 3.043 N/A ASP 64.A N LYS 60.A O no hydrogen 3.368 N/A GLU 65.A N GLU 61.A O no hydrogen 3.001 N/A ALA 66.A N ILE 62.A O no hydrogen 2.894 N/A TYR 67.A N LEU 63.A O no hydrogen 2.846 N/A VAL 68.A N ASP 64.A O no hydrogen 3.119 N/A MET 69.A N GLU 65.A O no hydrogen 3.012 N/A ALA 70.A N ALA 66.A O no hydrogen 3.055 N/A SER 71.A N VAL 68.A O no hydrogen 3.312 N/A SER 71.A OG TYR 67.A O no hydrogen 3.119 N/A ASP 73.A N TYR 130.A OH no hydrogen 2.810 N/A HIS 76.A N ASN 74.A OD1 no hydrogen 3.099 N/A HIS 76.A ND1 VAL 154.A O no hydrogen 3.087 N/A VAL 77.A N ASN 74.A O no hydrogen 3.357 N/A CYS 78.A N ILE 156.A O no hydrogen 2.865 N/A CYS 78.A SG ILE 156.A O no hydrogen 3.638 N/A CYS 78.A SG THR 157.A OG1 no hydrogen 3.314 N/A ARG 79.A NH1 ALA 70.A O no hydrogen 3.195 N/A LEU 81.A N ILE 92.A O no hydrogen 2.691 N/A GLY 82.A N ILE 92.A O no hydrogen 3.204 N/A ILE 83.A N ARG 8.A O no hydrogen 2.866 N/A CYS 84.A N GLN 90.A O no hydrogen 2.972 N/A CYS 84.A SG.A LEU 10.A O no hydrogen 3.206 N/A CYS 84.A SG.B LEU 10.A O no hydrogen 3.161 N/A THR 86.A OG1 THR 88.A O no hydrogen 2.512 N/A GLN 90.A N CYS 84.A O no hydrogen 3.079 N/A GLN 90.A NE2 GLU 12.A OE1 no hydrogen 2.992 N/A GLN 90.A NE2 THR 86.A OG1 no hydrogen 3.023 N/A LEU 91.A N LYS 48.A O no hydrogen 2.749 N/A ILE 92.A N GLY 82.A O no hydrogen 2.801 N/A MET 93.A N ALA 46.A O no hydrogen 2.847 N/A GLN 94.A NE2 ASP 294.A OD1 no hydrogen 3.531 N/A LEU 95.A N PRO 44.A O no hydrogen 2.975 N/A PHE 98.A N VAL 148.A O no hydrogen 3.213 N/A GLY 99.A N MET 96.A O no hydrogen 3.121 N/A LEU 101.A N VAL 146.A O no hydrogen 2.756 N/A LEU 102.A N ALA 143.A O no hydrogen 3.240 N/A ASP 103.A N CYS 100.A O no hydrogen 3.234 N/A TYR 104.A N CYS 100.A O no hydrogen 3.175 N/A VAL 105.A N LEU 101.A O no hydrogen 2.903 N/A ARG 106.A N LEU 102.A O no hydrogen 3.263 N/A ARG 106.A NE GLY 200.A O no hydrogen 2.897 N/A ARG 106.A NH2 GLY 200.A O no hydrogen 3.029 N/A GLU 107.A N ASP 103.A O no hydrogen 3.079 N/A HIS 108.A N TYR 104.A O no hydrogen 3.099 N/A HIS 108.A ND1 TYR 104.A O no hydrogen 3.067 N/A LYS 109.A NZ ARG 106.A O no hydrogen 2.744 N/A ASN 111.A N HIS 108.A O no hydrogen 2.779 N/A SER 114.A N ASP 273.A OD1 no hydrogen 3.181 N/A SER 114.A OG ASP 273.A OD1 no hydrogen 3.314 N/A SER 114.A OG ASP 273.A OD2 no hydrogen 3.256 N/A TYR 116.A N GLY 113.A O no hydrogen 3.163 N/A LEU 117.A N GLY 113.A O no hydrogen 3.295 N/A LEU 118.A N SER 114.A O no hydrogen 3.096 N/A ASN 119.A N GLN 115.A O no hydrogen 3.087 N/A TRP 120.A N TYR 116.A O no hydrogen 3.042 N/A TRP 120.A NE1 PRO 151.A O no hydrogen 2.826 N/A CYS 121.A N LEU 117.A O no hydrogen 3.203 N/A CYS 121.A SG LEU 117.A O no hydrogen 3.314 N/A VAL 122.A N LEU 118.A O no hydrogen 2.961 N/A GLN 123.A N ASN 119.A O no hydrogen 2.924 N/A GLN 123.A NE2 ASN 119.A OD1 no hydrogen 3.384 N/A GLN 123.A NE2 GLN 152.A O no hydrogen 2.858 N/A ILE 124.A N TRP 120.A O no hydrogen 2.971 N/A ALA 125.A N CYS 121.A O no hydrogen 3.235 N/A LYS 126.A N VAL 122.A O no hydrogen 2.829 N/A GLY 127.A N GLN 123.A O no hydrogen 2.993 N/A GLY 127.A N ILE 124.A O no hydrogen 3.066 N/A MET 128.A N ILE 124.A O no hydrogen 2.955 N/A ASN 129.A N ALA 125.A O no hydrogen 2.815 N/A TYR 130.A N LYS 126.A O no hydrogen 2.971 N/A LEU 131.A N GLY 127.A O no hydrogen 3.081 N/A GLU 132.A N MET 128.A O no hydrogen 2.808 N/A ASP 133.A N ASN 129.A O no hydrogen 2.821 N/A ARG 134.A N TYR 130.A O no hydrogen 3.094 N/A ARG 135.A N GLU 132.A O no hydrogen 2.786 N/A LEU 136.A N LEU 131.A O no hydrogen 2.701 N/A HIS 138.A N ASP 185.A OD1 no hydrogen 2.677 N/A HIS 138.A NE2 THR 157.A O no hydrogen 2.931 N/A ARG 139.A N ASP 185.A OD2 no hydrogen 2.960 N/A ARG 139.A NH1 ARG 161.A O no hydrogen 2.860 N/A ASP 140.A N HIS 138.A ND1 no hydrogen 3.019 N/A ALA 143.A N GLU 195.A OE2 no hydrogen 2.740 N/A ARG 144.A NH2 ASP 140.A OD2 no hydrogen 3.084 N/A ASN 145.A N ALA 142.A O no hydrogen 3.009 N/A ASN 145.A ND2 ASP 140.A O no hydrogen 2.681 N/A ASN 145.A ND2 ASP 140.A OD1 no hydrogen 3.191 N/A VAL 146.A N ALA 143.A O no hydrogen 3.218 N/A LEU 147.A N LYS 155.A O no hydrogen 2.767 N/A VAL 148.A N GLY 99.A O no hydrogen 2.847 N/A LYS 149.A N HIS 153.A O no hydrogen 2.838 N/A LYS 149.A NZ ASP 294.A OD2 no hydrogen 3.251 N/A THR 150.A N HIS 153.A O no hydrogen 3.138 N/A GLN 152.A N THR 150.A OG1 no hydrogen 3.285 N/A HIS 153.A N THR 150.A O no hydrogen 2.871 N/A HIS 153.A NE2 PRO 75.A O no hydrogen 2.774 N/A VAL 154.A N GLN 123.A OE1 no hydrogen 2.982 N/A LYS 155.A N LEU 147.A O no hydrogen 2.824 N/A ILE 156.A N HIS 76.A O no hydrogen 2.798 N/A THR 157.A N ASN 145.A O no hydrogen 3.163 N/A GLY 160.A N HIS 138.A O no hydrogen 2.784 N/A ALA 162.A N GLU 65.A OE2 no hydrogen 2.684 N/A LYS 163.A N GLU 65.A OE1 no hydrogen 3.327 N/A LYS 168.A NZ TYR 204.A O no hydrogen 2.690 N/A LYS 168.A NZ ILE 207.A O no hydrogen 2.681 N/A TRP 169.A N PRO 166.A O no hydrogen 2.949 N/A TRP 169.A NE1 GLU 195.A OE2 no hydrogen 2.811 N/A MET 170.A N ILE 167.A O no hydrogen 3.058 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.665 N/A SER 174.A N ALA 171.A O no hydrogen 3.090 N/A SER 174.A OG ILE 179.A O no hydrogen 2.638 N/A ILE 175.A N ALA 171.A O no hydrogen 3.244 N/A LEU 176.A N LEU 172.A O no hydrogen 3.051 N/A HIS 177.A N GLU 173.A O no hydrogen 3.000 N/A ARG 178.A N SER 174.A O no hydrogen 3.087 N/A ILE 179.A N GLU 173.A O no hydrogen 3.385 N/A THR 181.A N SER 184.A OG no hydrogen 2.741 N/A GLN 183.A NE2 ALA 244.A O no hydrogen 3.375 N/A GLN 183.A NE2 PRO 248.A O no hydrogen 3.554 N/A SER 184.A N THR 181.A OG1 no hydrogen 3.203 N/A SER 184.A OG THR 181.A O no hydrogen 2.789 N/A ASP 185.A N THR 181.A O no hydrogen 3.050 N/A VAL 186.A N HIS 182.A O no hydrogen 3.106 N/A TRP 187.A N GLN 183.A O no hydrogen 3.347 N/A SER 188.A N SER 184.A O no hydrogen 3.293 N/A SER 188.A OG TRP 169.A O no hydrogen 2.724 N/A TYR 189.A N ASP 185.A O no hydrogen 2.845 N/A TYR 189.A OH CYS 121.A O no hydrogen 2.679 N/A GLY 190.A N VAL 186.A O no hydrogen 2.937 N/A VAL 191.A N TRP 187.A O no hydrogen 3.148 N/A THR 192.A N SER 188.A O no hydrogen 2.813 N/A THR 192.A OG1 SER 188.A O no hydrogen 2.982 N/A VAL 193.A N TYR 189.A O no hydrogen 2.909 N/A TRP 194.A N GLY 190.A O no hydrogen 2.988 N/A TRP 194.A NE1 PRO 223.A O no hydrogen 2.788 N/A GLU 195.A N VAL 191.A O no hydrogen 2.927 N/A LEU 196.A N THR 192.A O no hydrogen 3.014 N/A MET 197.A N VAL 193.A O no hydrogen 2.858 N/A THR 198.A N TRP 194.A O no hydrogen 2.921 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.985 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.091 N/A PHE 199.A N LEU 196.A O no hydrogen 2.988 N/A GLY 200.A N GLU 195.A O no hydrogen 2.759 N/A SER 201.A N THR 198.A OG1 no hydrogen 3.014 N/A SER 201.A OG THR 198.A O no hydrogen 3.496 N/A LYS 202.A NZ ASP 205.A OD2 no hydrogen 3.293 N/A GLU 211.A N PRO 208.A O no hydrogen 3.278 N/A ILE 212.A N ALA 209.A O no hydrogen 3.442 N/A ILE 215.A N GLU 211.A O no hydrogen 3.005 N/A LEU 216.A N ILE 212.A O no hydrogen 2.935 N/A GLU 217.A N SER 213.A O no hydrogen 2.892 N/A LYS 218.A N SER 214.A O no hydrogen 3.018 N/A LYS 218.A NZ SER 214.A OG no hydrogen 3.198 N/A GLY 219.A N LEU 216.A O no hydrogen 2.875 N/A GLU 220.A N ILE 215.A O no hydrogen 3.027 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.765 N/A ARG 221.A NH1 TRP 240.A O no hydrogen 2.853 N/A ARG 221.A NH2 LEU 216.A O no hydrogen 2.925 N/A ARG 221.A NH2 GLU 220.A O no hydrogen 2.940 N/A GLN 224.A NE2 CYS 228.A O no hydrogen 2.940 N/A CYS 228.A N PRO 225.A O no hydrogen 2.940 N/A THR 229.A N TYR 267.A O no hydrogen 3.166 N/A THR 229.A OG1 TYR 267.A O no hydrogen 2.715 N/A TYR 233.A N THR 229.A O no hydrogen 3.169 N/A TYR 233.A OH LEU 222.A O no hydrogen 2.649 N/A MET 234.A N ILE 230.A O no hydrogen 2.827 N/A MET 236.A N VAL 232.A O no hydrogen 3.293 N/A VAL 237.A N TYR 233.A O no hydrogen 2.920 N/A LYS 238.A N MET 234.A O no hydrogen 2.953 N/A CYS 239.A N ILE 235.A O no hydrogen 3.400 N/A CYS 239.A SG ILE 235.A O no hydrogen 3.318 N/A TRP 240.A N VAL 237.A O no hydrogen 2.861 N/A TRP 240.A NE1 TRP 187.A O no hydrogen 3.194 N/A SER 246.A N ASP 243.A O no hydrogen 3.009 N/A SER 246.A OG ASP 243.A OD1 no hydrogen 2.440 N/A ARG 247.A N ALA 244.A O no hydrogen 3.147 N/A ARG 247.A NE MET 241.A O no hydrogen 2.947 N/A ARG 247.A NH1 GLU 173.A OE1 no hydrogen 2.937 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 3.459 N/A ARG 247.A NH1 MET 241.A O no hydrogen 2.987 N/A ARG 247.A NH2 GLU 173.A OE2 no hydrogen 2.865 N/A ARG 247.A NH2 GLN 183.A O no hydrogen 2.917 N/A LYS 249.A N GLU 252.A OE2 no hydrogen 2.964 N/A LEU 253.A N LYS 249.A O no hydrogen 3.079 N/A ILE 254.A N PHE 250.A O no hydrogen 2.914 N/A ILE 255.A N ARG 251.A O no hydrogen 3.451 N/A GLU 256.A N GLU 252.A O no hydrogen 2.898 N/A PHE 257.A N LEU 253.A O no hydrogen 3.092 N/A SER 258.A N ILE 254.A O no hydrogen 2.994 N/A SER 258.A OG ILE 254.A O no hydrogen 2.807 N/A LYS 259.A N ILE 255.A O no hydrogen 2.855 N/A LYS 259.A NZ GLU 256.A OE1 no hydrogen 3.432 N/A MET 260.A N GLU 256.A O no hydrogen 3.100 N/A ALA 261.A N PHE 257.A O no hydrogen 2.793 N/A ARG 262.A N LYS 259.A O no hydrogen 3.182 N/A ASP 263.A N MET 260.A O no hydrogen 3.139 N/A ARG 266.A N ASP 263.A O no hydrogen 2.898 N/A TYR 267.A N PRO 264.A O no hydrogen 3.019 N/A LEU 268.A N PRO 264.A O no hydrogen 2.806 N/A VAL 269.A N ILE 227.A O no hydrogen 2.773 N/A ASP 273.A N ILE 270.A O no hydrogen 3.220 N/A SER 275.A OG PHE 98.A O no hydrogen 3.008 N/A ASN 276.A N GLU 107.A OE1 no hydrogen 2.756 N/A ASN 276.A N GLU 107.A OE2 no hydrogen 3.469 N/A ARG 279.A N SER 275.A O no hydrogen 3.151 N/A ALA 280.A N PHE 277.A O no hydrogen 3.166 N/A LEU 281.A N PHE 277.A O no hydrogen 3.396 N/A LEU 281.A N TYR 278.A O no hydrogen 2.861 N/A MET 282.A N TYR 278.A O no hydrogen 3.179 N/A GLU 285.A N ASP 283.A O no hydrogen 2.767 N/A VAL 291.A N LYS 42.A O no hydrogen 3.163 N/A TYR 296.A N ASP 292.A O no hydrogen 3.444 N/A TYR 296.A OH GLU 39.A OE1 no hydrogen 2.750 N/A