Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N GLY 2.A O no hydrogen 2.968 N/A TYR 7.A N ARG 3.A O no hydrogen 2.880 N/A PHE 8.A N GLU 4.A O no hydrogen 2.908 N/A GLN 9.A N LEU 6.A O no hydrogen 3.198 N/A GLN 9.A NE2 ASN 5.A OD1 no hydrogen 2.885 N/A GLY 10.A N TYR 7.A O no hydrogen 3.166 N/A ARG 15.A N THR 11.A O no hydrogen 2.932 N/A ARG 15.A NE GLU 80.A OE2 no hydrogen 3.114 N/A ARG 15.A NH1 GLU 80.A OE1 no hydrogen 2.622 N/A ARG 15.A NH1 GLU 80.A OE2 no hydrogen 3.220 N/A TYR 16.A N PHE 12.A O no hydrogen 2.800 N/A TYR 16.A OH GLU 80.A OE2 no hydrogen 2.706 N/A ASN 17.A N LYS 34.A O no hydrogen 2.934 N/A VAL 19.A N LYS 32.A O no hydrogen 2.834 N/A CYS 20.A N LYS 32.A O no hydrogen 3.402 N/A CYS 20.A SG MET 21.A O no hydrogen 4.016 N/A LEU 22.A N VAL 30.A O no hydrogen 2.867 N/A GLY 23.A N VAL 30.A O no hydrogen 3.292 N/A GLY 25.A N GLY 28.A O no hydrogen 2.847 N/A GLY 28.A N GLY 25.A O no hydrogen 3.371 N/A GLU 29.A N VAL 46.A O no hydrogen 3.300 N/A VAL 30.A N GLY 23.A O no hydrogen 2.885 N/A LEU 31.A N VAL 44.A O no hydrogen 2.916 N/A LYS 32.A N CYS 20.A O no hydrogen 2.891 N/A CYS 33.A N TYR 42.A O no hydrogen 2.891 N/A CYS 33.A SG TYR 42.A O no hydrogen 3.810 N/A LYS 34.A N ASN 17.A O no hydrogen 2.749 N/A ASP 35.A N GLN 40.A O no hydrogen 2.876 N/A ARG 36.A N ARG 15.A O no hydrogen 2.867 N/A ARG 36.A NE ALA 13.A O no hydrogen 3.141 N/A ARG 36.A NH2 ALA 13.A O no hydrogen 2.976 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.920 N/A GLN 39.A N ASP 35.A O no hydrogen 2.710 N/A GLN 39.A NE2 ARG 36.A O no hydrogen 3.083 N/A GLN 40.A N THR 38.A OG1 no hydrogen 3.262 N/A TYR 42.A N CYS 33.A O no hydrogen 2.818 N/A ALA 43.A N GLY 92.A O no hydrogen 2.928 N/A VAL 44.A N LEU 31.A O no hydrogen 2.878 N/A LYS 45.A N ILE 90.A O no hydrogen 2.834 N/A LYS 45.A NZ SER 26.A O no hydrogen 3.071 N/A LYS 45.A NZ ASP 159.A OD2 no hydrogen 2.838 N/A VAL 46.A N GLU 29.A O no hydrogen 2.892 N/A ILE 47.A N PHE 88.A O no hydrogen 2.866 N/A LYS 49.A N SER 86.A O no hydrogen 2.808 N/A LYS 49.A NZ GLU 83.A OE1 no hydrogen 2.646 N/A LYS 49.A NZ ASP 84.A O no hydrogen 2.881 N/A ALA 50.A N ASN 48.A OD1 no hydrogen 2.897 N/A SER 51.A N ASN 48.A O no hydrogen 2.850 N/A ALA 52.A N LYS 49.A O no hydrogen 3.135 N/A LYS 53.A N CYS 165.A O no hydrogen 2.750 N/A LYS 53.A NZ SER 163.A O no hydrogen 2.854 N/A ASP 56.A N ASN 54.A OD1 no hydrogen 2.866 N/A SER 58.A N ASP 56.A OD2 no hydrogen 3.149 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 3.271 N/A SER 58.A OG ASP 56.A OD2 no hydrogen 2.557 N/A THR 59.A N ASP 56.A O no hydrogen 3.023 N/A THR 59.A OG1 ASP 56.A O no hydrogen 2.719 N/A LEU 61.A N THR 57.A O no hydrogen 3.030 N/A ARG 62.A N SER 58.A O no hydrogen 2.992 N/A GLU 63.A N THR 59.A O no hydrogen 2.922 N/A VAL 64.A N ILE 60.A O no hydrogen 3.007 N/A GLU 65.A N LEU 61.A O no hydrogen 2.853 N/A LEU 66.A N ARG 62.A O no hydrogen 2.931 N/A LEU 67.A N GLU 63.A O no hydrogen 3.086 N/A LYS 68.A N VAL 64.A O no hydrogen 2.924 N/A LYS 68.A NZ GLU 65.A OE1 no hydrogen 3.009 N/A LYS 68.A NZ GLU 65.A OE2 no hydrogen 3.547 N/A LYS 69.A N LEU 66.A O no hydrogen 3.209 N/A LEU 70.A N LEU 67.A O no hydrogen 3.199 N/A ASP 71.A N TYR 128.A OH no hydrogen 2.969 N/A HIS 72.A NE2 SER 124.A OG no hydrogen 2.889 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 3.033 N/A ASN 74.A ND2 GLN 121.A OE1 no hydrogen 3.069 N/A ASN 74.A ND2 ILE 155.A O no hydrogen 3.045 N/A ILE 75.A N HIS 72.A O no hydrogen 3.107 N/A MET 76.A N ILE 157.A O no hydrogen 3.015 N/A LYS 77.A N GLU 93.A OE2 no hydrogen 3.037 N/A LYS 77.A NZ LYS 68.A O no hydrogen 2.863 N/A LYS 77.A NZ LEU 70.A O no hydrogen 2.734 N/A LYS 77.A NZ ASP 71.A OD2 no hydrogen 2.785 N/A PHE 79.A N VAL 91.A O no hydrogen 2.772 N/A GLU 80.A N VAL 91.A O no hydrogen 3.194 N/A LEU 82.A N TYR 89.A O no hydrogen 2.867 N/A ASP 84.A N SER 87.A O no hydrogen 2.970 N/A SER 86.A N ASP 84.A OD2 no hydrogen 2.955 N/A SER 87.A N ASP 84.A OD2 no hydrogen 2.881 N/A PHE 88.A N ILE 47.A O no hydrogen 2.836 N/A TYR 89.A N LEU 82.A O no hydrogen 2.798 N/A TYR 89.A OH ASP 84.A OD1 no hydrogen 2.682 N/A ILE 90.A N LYS 45.A O no hydrogen 2.868 N/A VAL 91.A N GLU 80.A O no hydrogen 2.885 N/A GLY 92.A N ALA 43.A O no hydrogen 2.848 N/A GLU 93.A N LYS 77.A O no hydrogen 3.106 N/A TYR 95.A OH GLU 93.A OE2 no hydrogen 2.546 N/A THR 96.A N GLU 147.A O no hydrogen 3.118 N/A GLY 97.A N LEU 146.A O no hydrogen 3.081 N/A GLU 99.A N ASP 102.A OD1 no hydrogen 3.048 N/A LEU 100.A N ILE 144.A O no hydrogen 2.778 N/A GLU 103.A N GLU 99.A O no hydrogen 3.369 N/A ILE 104.A N LEU 100.A O no hydrogen 2.912 N/A ILE 105.A N PHE 101.A O no hydrogen 2.900 N/A LYS 106.A N ASP 102.A O no hydrogen 3.070 N/A ARG 107.A N GLU 103.A O no hydrogen 2.965 N/A ARG 107.A NE GLU 103.A OE1 no hydrogen 3.338 N/A ARG 107.A NH1 ASP 114.A OD2 no hydrogen 2.822 N/A LYS 108.A N ILE 104.A O no hydrogen 2.783 N/A ARG 109.A N ARG 107.A O no hydrogen 2.870 N/A ARG 109.A NE LEU 208.A O no hydrogen 3.069 N/A ARG 109.A NH1 LEU 208.A O no hydrogen 3.070 N/A ARG 109.A NH1 GLN 237.A O no hydrogen 2.757 N/A PHE 110.A N LEU 207.A O no hydrogen 2.843 N/A HIS 113.A ND1 ASP 114.A OD1 no hydrogen 3.130 N/A ASP 114.A N SER 111.A OG no hydrogen 3.139 N/A ALA 115.A N SER 111.A O no hydrogen 2.901 N/A ALA 116.A N GLU 112.A O no hydrogen 2.937 N/A ARG 117.A N HIS 113.A O no hydrogen 3.139 N/A ARG 117.A NH1 CYS 153.A O no hydrogen 3.296 N/A ILE 118.A N ASP 114.A O no hydrogen 3.257 N/A ILE 119.A N ALA 115.A O no hydrogen 2.852 N/A LYS 120.A N ALA 116.A O no hydrogen 2.919 N/A LYS 120.A NZ SER 276.A OG no hydrogen 2.814 N/A GLN 121.A NE2 ARG 117.A O no hydrogen 3.162 N/A VAL 122.A N ILE 118.A O no hydrogen 3.337 N/A PHE 123.A N ILE 119.A O no hydrogen 2.800 N/A SER 124.A N LYS 120.A O no hydrogen 2.841 N/A SER 124.A OG HIS 72.A NE2 no hydrogen 2.889 N/A GLY 125.A N GLN 121.A O no hydrogen 3.001 N/A ILE 126.A N VAL 122.A O no hydrogen 2.899 N/A THR 127.A N PHE 123.A O no hydrogen 2.911 N/A THR 127.A OG1 PHE 123.A O no hydrogen 2.843 N/A TYR 128.A N SER 124.A O no hydrogen 3.120 N/A MET 129.A N GLY 125.A O no hydrogen 3.033 N/A HIS 130.A N ILE 126.A O no hydrogen 2.864 N/A HIS 130.A NE2 ASP 196.A OD2 no hydrogen 2.854 N/A LYS 131.A N THR 127.A O no hydrogen 3.089 N/A HIS 132.A N MET 129.A O no hydrogen 2.986 N/A HIS 132.A ND1 TYR 128.A O no hydrogen 3.136 N/A ASN 133.A N HIS 130.A O no hydrogen 2.947 N/A ILE 134.A N MET 129.A O no hydrogen 3.043 N/A HIS 136.A N ASP 196.A OD2 no hydrogen 2.886 N/A HIS 136.A NE2 ILE 158.A O no hydrogen 2.862 N/A ARG 137.A N ASP 196.A OD1 no hydrogen 2.849 N/A ARG 137.A NH1 ASP 138.A OD1 no hydrogen 3.173 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.061 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.759 N/A ASN 143.A N LYS 140.A O no hydrogen 2.931 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.904 N/A ILE 144.A N PRO 141.A O no hydrogen 3.195 N/A LEU 145.A N LYS 156.A O no hydrogen 2.826 N/A LEU 146.A N GLY 98.A O no hydrogen 2.808 N/A GLU 147.A N ASP 154.A O no hydrogen 3.000 N/A GLU 150.A N SER 148.A OG no hydrogen 3.249 N/A CYS 153.A SG SER 148.A O no hydrogen 3.241 N/A CYS 153.A SG GLU 150.A O no hydrogen 3.880 N/A CYS 153.A SG ASP 154.A O no hydrogen 3.729 N/A ILE 155.A N GLN 121.A OE1 no hydrogen 3.004 N/A LYS 156.A N LEU 145.A O no hydrogen 2.704 N/A LYS 156.A NZ PRO 73.A O no hydrogen 2.593 N/A ILE 157.A N ASN 74.A O no hydrogen 2.847 N/A ILE 158.A N ASN 143.A O no hydrogen 2.890 N/A LEU 162.A N ASP 159.A O no hydrogen 3.085 N/A SER 163.A OG HIS 136.A O no hydrogen 2.941 N/A THR 164.A OG1 GLY 161.A O no hydrogen 3.207 N/A CYS 165.A N LEU 162.A O no hydrogen 3.083 N/A CYS 165.A SG THR 164.A OG1 no hydrogen 3.657 N/A PHE 166.A N LEU 162.A O no hydrogen 3.127 N/A GLN 167.A N SER 51.A O no hydrogen 2.862 N/A ASN 169.A ND2 GLY 25.A O no hydrogen 2.928 N/A LYS 173.A NZ LYS 24.A O no hydrogen 3.091 N/A ARG 175.A NH2 THR 170.A O no hydrogen 2.995 N/A GLY 177.A N ASP 174.A OD1 no hydrogen 3.143 N/A THR 178.A N ARG 175.A O no hydrogen 3.178 N/A THR 178.A OG1 ARG 175.A O no hydrogen 2.651 N/A ALA 179.A N ILE 176.A O no hydrogen 3.181 N/A TYR 181.A N THR 178.A O no hydrogen 3.351 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.844 N/A LEU 187.A N ALA 183.A O no hydrogen 3.243 N/A ARG 188.A N PRO 184.A O no hydrogen 3.209 N/A GLY 189.A N VAL 186.A O no hydrogen 2.937 N/A THR 190.A N GLU 185.A O no hydrogen 3.065 N/A THR 190.A OG1 GLU 185.A O no hydrogen 3.525 N/A THR 190.A OG1 THR 190.A O no hydrogen 2.676 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.878 N/A LYS 194.A N ASP 192.A OD1 no hydrogen 2.989 N/A LYS 194.A NZ PRO 257.A O no hydrogen 2.982 N/A LYS 194.A NZ ARG 260.A O no hydrogen 2.919 N/A CYS 195.A N ASP 192.A O no hydrogen 3.277 N/A CYS 195.A SG ASP 192.A O no hydrogen 3.298 N/A CYS 195.A SG ASP 196.A OD1 no hydrogen 3.836 N/A ASP 196.A N GLU 193.A O no hydrogen 3.023 N/A TRP 198.A N LYS 194.A O no hydrogen 3.284 N/A SER 199.A N CYS 195.A O no hydrogen 3.075 N/A SER 199.A OG TYR 181.A O no hydrogen 2.792 N/A SER 199.A OG CYS 195.A O no hydrogen 3.216 N/A ALA 200.A N ASP 196.A O no hydrogen 2.991 N/A GLY 201.A N VAL 197.A O no hydrogen 2.908 N/A VAL 202.A N TRP 198.A O no hydrogen 2.941 N/A ILE 203.A N SER 199.A O no hydrogen 3.053 N/A LEU 204.A N ALA 200.A O no hydrogen 2.928 N/A TYR 205.A N GLY 201.A O no hydrogen 3.006 N/A TYR 205.A OH ALA 232.A O no hydrogen 2.711 N/A ILE 206.A N VAL 202.A O no hydrogen 3.030 N/A LEU 207.A N ILE 203.A O no hydrogen 2.866 N/A LEU 208.A N LEU 204.A O no hydrogen 3.076 N/A SER 209.A N TYR 205.A O no hydrogen 3.000 N/A SER 209.A OG TYR 205.A O no hydrogen 2.894 N/A SER 209.A OG THR 211.A OG1 no hydrogen 3.228 N/A GLY 210.A N ILE 206.A O no hydrogen 2.810 N/A THR 211.A N SER 209.A OG no hydrogen 3.196 N/A THR 211.A OG1 SER 209.A OG no hydrogen 3.228 N/A ASP 221.A N ASN 218.A OD1 no hydrogen 2.818 N/A ILE 222.A N ASN 218.A O no hydrogen 3.133 N/A LEU 223.A N GLU 219.A O no hydrogen 2.896 N/A LYS 224.A N TYR 220.A O no hydrogen 2.889 N/A LYS 224.A NZ GLU 227.A OE1 no hydrogen 2.711 N/A ARG 225.A N ASP 221.A O no hydrogen 3.357 N/A ARG 225.A NH2.A TYR 215.A O no hydrogen 3.006 N/A VAL 226.A N ILE 222.A O no hydrogen 3.042 N/A GLU 227.A N LEU 223.A O no hydrogen 2.926 N/A THR 228.A OG1 ARG 225.A O no hydrogen 3.009 N/A GLY 229.A N ARG 225.A O no hydrogen 3.065 N/A LYS 230.A N THR 228.A OG1 no hydrogen 3.302 N/A GLN 237.A N GLN 237.A OE1 no hydrogen 2.892 N/A TRP 238.A N LEU 235.A O no hydrogen 2.910 N/A TRP 238.A NE1 TYR 205.A OH no hydrogen 3.174 N/A ARG 239.A N PRO 236.A O no hydrogen 2.859 N/A ARG 239.A NH2 ARG 239.A O no hydrogen 3.134 N/A ILE 241.A N TRP 238.A O no hydrogen 3.184 N/A SER 242.A N GLU 112.A OE2 no hydrogen 2.860 N/A SER 242.A OG GLU 112.A OE1 no hydrogen 2.691 N/A ALA 245.A N SER 242.A OG no hydrogen 3.065 N/A LYS 246.A N SER 242.A O no hydrogen 3.284 N/A LYS 246.A NZ TRP 238.A O no hydrogen 2.945 N/A LYS 246.A NZ ILE 241.A O no hydrogen 3.570 N/A ASP 247.A N ASP 243.A O no hydrogen 2.834 N/A LEU 248.A N ASP 244.A O no hydrogen 3.083 N/A ILE 249.A N ALA 245.A O no hydrogen 3.029 N/A ARG 250.A N LYS 246.A O no hydrogen 2.891 N/A LYS 251.A N ASP 247.A O no hydrogen 3.048 N/A LYS 251.A NZ ASP 247.A OD1 no hydrogen 3.234 N/A LYS 251.A NZ ASP 247.A OD2 no hydrogen 3.000 N/A MET 252.A N LEU 248.A O no hydrogen 3.001 N/A LEU 253.A N ILE 249.A O no hydrogen 2.846 N/A THR 254.A OG1 ARG 250.A O no hydrogen 3.028 N/A THR 254.A OG1 LYS 251.A O no hydrogen 2.957 N/A LEU 259.A N HIS 256.A O no hydrogen 2.997 N/A ARG 260.A N PRO 257.A O no hydrogen 3.113 N/A ARG 260.A NE THR 254.A O no hydrogen 2.870 N/A ARG 260.A NH1 GLU 185.A OE1 no hydrogen 3.051 N/A ARG 260.A NH1 THR 254.A O no hydrogen 3.004 N/A ARG 260.A NH1 PHE 255.A O no hydrogen 2.983 N/A ARG 260.A NH2 GLU 185.A OE2 no hydrogen 2.769 N/A ARG 260.A NH2 LYS 194.A O no hydrogen 2.920 N/A ILE 261.A N LYS 251.A O no hydrogen 3.478 N/A THR 262.A N GLN 265.A OE1 no hydrogen 2.975 N/A GLN 265.A N THR 262.A OG1 no hydrogen 3.115 N/A CYS 266.A N THR 262.A O no hydrogen 3.042 N/A CYS 266.A SG THR 262.A O no hydrogen 3.417 N/A LEU 267.A N ALA 263.A O no hydrogen 3.165 N/A GLU 268.A N THR 264.A O no hydrogen 3.243 N/A GLU 268.A N GLN 265.A O no hydrogen 3.212 N/A HIS 269.A N CYS 266.A O no hydrogen 3.193 N/A HIS 269.A NE2 ASP 247.A OD2 no hydrogen 2.899 N/A TRP 271.A N HIS 269.A ND1 no hydrogen 3.051 N/A TRP 271.A NE1 GLU 112.A OE1 no hydrogen 2.821 N/A GLN 273.A N HIS 269.A O no hydrogen 3.156 N/A GLN 273.A NE2 LEU 267.A O no hydrogen 2.899 N/A LYS 274.A N PRO 270.A O no hydrogen 2.897 N/A TYR 275.A N ILE 272.A O no hydrogen 3.229 N/A SER 276.A N GLN 273.A O no hydrogen 3.282 N/A SER 276.A OG ILE 272.A O no hydrogen 2.718 N/A