Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ori_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NE ASP 21.A OD1 no hydrogen 3.141 N/A ARG 1.A NH2 ASP 21.A OD2 no hydrogen 3.121 N/A GLU 3.A N ARG 20.A O no hydrogen 2.949 N/A GLY 5.A N LEU 18.A O no hydrogen 2.625 N/A LEU 8.A N VAL 16.A O no hydrogen 2.611 N/A GLY 9.A N VAL 16.A O no hydrogen 3.327 N/A GLY 11.A N SER 14.A O no hydrogen 3.010 N/A GLU 15.A N VAL 32.A O no hydrogen 3.018 N/A VAL 16.A N GLY 9.A O no hydrogen 2.977 N/A HIS 17.A N VAL 30.A O no hydrogen 2.732 N/A HIS 17.A ND1 GLY 5.A O no hydrogen 3.331 N/A HIS 17.A NE2 GLU 15.A OE1 no hydrogen 3.262 N/A LEU 18.A N GLU 6.A O no hydrogen 2.827 N/A ALA 19.A N VAL 28.A O no hydrogen 3.000 N/A ARG 20.A N GLU 3.A O no hydrogen 2.903 N/A ARG 20.A NE ASP 27.A OD1 no hydrogen 2.888 N/A ARG 20.A NH2 ASP 27.A OD1 no hydrogen 2.889 N/A ASP 21.A N ARG 26.A O no hydrogen 2.810 N/A LEU 22.A N ARG 1.A O no hydrogen 2.723 N/A ARG 23.A N ASP 21.A OD1 no hydrogen 2.930 N/A ASP 24.A N ASP 21.A OD1 no hydrogen 3.215 N/A HIS 25.A N ASP 21.A O no hydrogen 2.957 N/A ARG 26.A NE ASP 21.A OD2 no hydrogen 3.260 N/A ARG 26.A NH2 ASP 21.A OD2 no hydrogen 3.459 N/A VAL 28.A N ALA 19.A O no hydrogen 2.944 N/A ALA 29.A N MET 83.A O no hydrogen 2.870 N/A VAL 30.A N HIS 17.A O no hydrogen 2.695 N/A LYS 31.A N ILE 81.A O no hydrogen 2.779 N/A LYS 31.A NZ ASP 147.A OD1 no hydrogen 3.099 N/A VAL 32.A N GLU 15.A O no hydrogen 2.825 N/A LEU 33.A N PRO 79.A O no hydrogen 3.055 N/A ARG 34.A N MET 13.A O no hydrogen 2.992 N/A ARG 34.A NE ASP 36.A OD2 no hydrogen 3.377 N/A ARG 34.A NH1 GLY 12.A O no hydrogen 2.893 N/A LEU 37.A N ARG 34.A O no hydrogen 3.043 N/A ALA 38.A N ARG 34.A O no hydrogen 3.072 N/A ASP 40.A N LEU 37.A O no hydrogen 2.870 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.789 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.980 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.547 N/A TYR 44.A N ASP 40.A O no hydrogen 3.018 N/A LEU 45.A N PRO 41.A O no hydrogen 2.737 N/A ARG 46.A N SER 42.A O no hydrogen 3.057 N/A ARG 46.A NE GLU 50.A OE2 no hydrogen 3.013 N/A PHE 47.A N PHE 43.A O no hydrogen 2.941 N/A ARG 48.A N TYR 44.A O no hydrogen 3.133 N/A ARG 49.A N LEU 45.A O no hydrogen 2.978 N/A ARG 49.A NH1 ALA 151.A O no hydrogen 2.927 N/A ARG 49.A NH2 ALA 151.A O no hydrogen 3.073 N/A GLU 50.A N ARG 46.A O no hydrogen 2.983 N/A ALA 51.A N PHE 47.A O no hydrogen 3.362 N/A GLN 52.A N ARG 48.A O no hydrogen 3.278 N/A ASN 53.A N ARG 49.A O no hydrogen 2.980 N/A ALA 54.A N GLU 50.A O no hydrogen 3.010 N/A ALA 55.A N ALA 51.A O no hydrogen 3.031 N/A ALA 55.A N GLN 52.A O no hydrogen 3.127 N/A ALA 56.A N ASN 53.A O no hydrogen 2.986 N/A LEU 57.A N ALA 54.A O no hydrogen 3.339 N/A ILE 62.A N HIS 59.A O no hydrogen 3.152 N/A VAL 63.A N VAL 145.A O no hydrogen 2.981 N/A ALA 64.A N GLU 84.A OE2 no hydrogen 2.924 N/A TYR 66.A N VAL 82.A O no hydrogen 2.752 N/A ASP 67.A N VAL 82.A O no hydrogen 3.172 N/A THR 68.A N ASP 67.A OD1 no hydrogen 2.873 N/A GLY 69.A N TYR 80.A O no hydrogen 3.309 N/A ALA 71.A N LEU 78.A O no hydrogen 2.877 N/A THR 73.A N GLY 76.A O no hydrogen 3.014 N/A THR 73.A OG1 GLY 76.A O no hydrogen 2.497 N/A GLY 76.A N THR 73.A O no hydrogen 2.753 N/A LEU 78.A N ALA 71.A O no hydrogen 2.839 N/A TYR 80.A N GLY 69.A O no hydrogen 2.941 N/A ILE 81.A N LYS 31.A O no hydrogen 2.893 N/A VAL 82.A N ASP 67.A O no hydrogen 2.812 N/A MET 83.A N ALA 29.A O no hydrogen 2.822 N/A GLU 84.A N ALA 64.A O no hydrogen 2.849 N/A VAL 89.A N ILE 137.A O no hydrogen 3.047 N/A LEU 91.A N ILE 135.A O no hydrogen 2.955 N/A ARG 92.A N PRO 132.A O no hydrogen 3.399 N/A ASP 93.A N THR 90.A OG1 no hydrogen 2.928 N/A ILE 94.A N THR 90.A O no hydrogen 2.831 N/A VAL 95.A N LEU 91.A O no hydrogen 2.839 N/A HIS 96.A N ARG 92.A O no hydrogen 3.037 N/A THR 97.A N ASP 93.A O no hydrogen 2.945 N/A THR 97.A OG1 ASP 93.A O no hydrogen 2.837 N/A THR 97.A OG1 ILE 94.A O no hydrogen 3.537 N/A GLU 98.A N ILE 94.A O no hydrogen 2.836 N/A GLY 99.A N VAL 95.A O no hydrogen 2.894 N/A MET 101.A N VAL 186.A O no hydrogen 2.717 N/A LYS 104.A NZ HIS 254.A O no hydrogen 3.197 N/A ARG 105.A N THR 102.A OG1 no hydrogen 3.344 N/A ALA 106.A N THR 102.A O no hydrogen 3.023 N/A ILE 107.A N PRO 103.A O no hydrogen 2.999 N/A GLU 108.A N LYS 104.A O no hydrogen 3.060 N/A VAL 109.A N ARG 105.A O no hydrogen 2.948 N/A ILE 110.A N ALA 106.A O no hydrogen 2.864 N/A ALA 111.A N ILE 107.A O no hydrogen 2.808 N/A ASP 112.A N GLU 108.A O no hydrogen 2.972 N/A ALA 113.A N VAL 109.A O no hydrogen 3.003 N/A CYS 114.A N ILE 110.A O no hydrogen 3.000 N/A CYS 114.A SG ILE 110.A O no hydrogen 3.501 N/A CYS 114.A SG ALA 243.A O no hydrogen 3.582 N/A GLN 115.A N ASP 112.A O no hydrogen 3.149 N/A LEU 117.A N ALA 113.A O no hydrogen 3.072 N/A ASN 118.A N CYS 114.A O no hydrogen 2.889 N/A PHE 119.A N GLN 115.A O no hydrogen 3.195 N/A SER 120.A N ALA 116.A O no hydrogen 3.008 N/A SER 120.A OG LEU 117.A O no hydrogen 3.230 N/A SER 120.A OG ILE 125.A O no hydrogen 2.941 N/A HIS 121.A N LEU 117.A O no hydrogen 2.752 N/A HIS 121.A NE2 ASP 175.A OD2 no hydrogen 2.789 N/A GLN 122.A N ASN 118.A O no hydrogen 3.108 N/A GLN 122.A N PHE 119.A O no hydrogen 3.288 N/A ASN 123.A N PHE 119.A O no hydrogen 3.324 N/A ASN 123.A N SER 120.A O no hydrogen 2.959 N/A GLY 124.A N HIS 121.A O no hydrogen 2.920 N/A ILE 125.A N SER 120.A O no hydrogen 2.877 N/A HIS 127.A N ASP 175.A OD2 no hydrogen 2.783 N/A HIS 127.A NE2 MET 146.A O no hydrogen 2.900 N/A ARG 128.A N ASP 175.A OD1 no hydrogen 3.004 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.027 N/A ASN 134.A N LYS 131.A O no hydrogen 2.923 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.805 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 2.890 N/A ILE 135.A N PRO 132.A O no hydrogen 3.374 N/A MET 136.A N LYS 144.A O no hydrogen 2.884 N/A ILE 137.A N VAL 89.A O no hydrogen 2.782 N/A SER 138.A N ALA 142.A O no hydrogen 2.929 N/A SER 138.A OG THR 140.A OG1 no hydrogen 3.162 N/A ALA 139.A N ASP 87.A O no hydrogen 2.766 N/A THR 140.A N SER 138.A OG no hydrogen 3.291 N/A THR 140.A OG1 SER 138.A OG no hydrogen 3.162 N/A ASN 141.A N SER 138.A O no hydrogen 2.783 N/A ALA 142.A N SER 138.A OG no hydrogen 2.833 N/A LYS 144.A N MET 136.A O no hydrogen 2.966 N/A LYS 144.A NZ PRO 60.A O no hydrogen 2.764 N/A LYS 144.A NZ GLU 84.A OE1 no hydrogen 2.813 N/A VAL 145.A N ALA 61.A O no hydrogen 2.795 N/A MET 146.A N ASN 134.A O no hydrogen 2.991 N/A GLY 149.A N HIS 127.A O no hydrogen 2.764 N/A GLN 158.A N THR 156.A OG1 no hydrogen 3.166 N/A GLN 158.A NE2 PHE 193.A O no hydrogen 3.354 N/A TYR 159.A OH GLU 185.A OE1 no hydrogen 2.423 N/A LEU 160.A N ALA 157.A O no hydrogen 3.354 N/A SER 161.A N GLN 164.A OE1 no hydrogen 2.904 N/A SER 161.A OG GLN 164.A OE1 no hydrogen 3.322 N/A SER 161.A OG SER 174.A OG no hydrogen 2.533 N/A GLU 163.A N GLU 163.A OE1 no hydrogen 2.774 N/A GLN 164.A NE2 ARG 128.A O no hydrogen 2.955 N/A ALA 165.A N SER 161.A O no hydrogen 3.100 N/A ARG 166.A N PRO 162.A O no hydrogen 2.952 N/A GLY 167.A N GLN 164.A O no hydrogen 3.258 N/A ASP 168.A N GLU 163.A O no hydrogen 2.754 N/A SER 169.A N ASP 168.A OD1 no hydrogen 2.935 N/A ARG 173.A N ASP 171.A OD1 no hydrogen 2.848 N/A ARG 173.A NE ASP 171.A OD1 no hydrogen 3.143 N/A ARG 173.A NH1 GLN 241.A OE1 no hydrogen 2.671 N/A ARG 173.A NH2 ASP 171.A OD2 no hydrogen 3.101 N/A SER 174.A N ASP 171.A O no hydrogen 2.898 N/A SER 174.A OG SER 161.A OG no hydrogen 2.533 N/A VAL 176.A N ALA 172.A O no hydrogen 3.105 N/A TYR 177.A N ARG 173.A O no hydrogen 3.104 N/A TYR 177.A OH HIS 205.A ND1 no hydrogen 2.650 N/A SER 178.A N SER 174.A O no hydrogen 2.973 N/A SER 178.A OG TYR 159.A O no hydrogen 2.641 N/A SER 178.A OG SER 174.A O no hydrogen 3.283 N/A LEU 179.A N ASP 175.A O no hydrogen 2.806 N/A GLY 180.A N VAL 176.A O no hydrogen 2.862 N/A CYS 181.A N TYR 177.A O no hydrogen 2.953 N/A CYS 181.A SG TYR 177.A O no hydrogen 3.572 N/A VAL 182.A N SER 178.A O no hydrogen 3.048 N/A LEU 183.A N LEU 179.A O no hydrogen 2.944 N/A TYR 184.A N GLY 180.A O no hydrogen 2.799 N/A TYR 184.A OH ILE 211.A O no hydrogen 2.437 N/A GLU 185.A N CYS 181.A O no hydrogen 2.995 N/A VAL 186.A N VAL 182.A O no hydrogen 2.882 N/A LEU 187.A N LEU 183.A O no hydrogen 3.106 N/A THR 188.A N TYR 184.A O no hydrogen 3.057 N/A THR 188.A OG1 TYR 184.A O no hydrogen 2.938 N/A GLY 189.A N GLU 185.A O no hydrogen 2.715 N/A GLU 190.A N THR 188.A OG1 no hydrogen 3.243 N/A SER 200.A N SER 197.A OG no hydrogen 3.262 N/A SER 200.A OG GLN 204.A OE1 no hydrogen 3.275 N/A VAL 201.A N SER 197.A O no hydrogen 3.281 N/A ALA 202.A N PRO 198.A O no hydrogen 2.894 N/A TYR 203.A N VAL 199.A O no hydrogen 3.004 N/A GLN 204.A N SER 200.A O no hydrogen 3.202 N/A HIS 205.A N VAL 201.A O no hydrogen 2.849 N/A HIS 205.A ND1 TYR 177.A OH no hydrogen 2.650 N/A HIS 205.A NE2 GLN 158.A O no hydrogen 2.853 N/A VAL 206.A N ALA 202.A O no hydrogen 3.125 N/A ARG 207.A N TYR 203.A O no hydrogen 2.998 N/A ARG 207.A N GLN 204.A O no hydrogen 3.316 N/A GLU 208.A N GLN 204.A O no hydrogen 2.855 N/A SER 214.A N ASP 225.A OD2 no hydrogen 3.000 N/A SER 214.A OG ASP 225.A OD1 no hydrogen 2.495 N/A SER 214.A OG ASP 225.A OD2 no hydrogen 3.492 N/A ALA 215.A N PRO 212.A O no hydrogen 2.780 N/A ARG 216.A N PRO 213.A O no hydrogen 3.004 N/A ARG 216.A NH1 TYR 184.A OH no hydrogen 3.189 N/A ARG 216.A NH1 PRO 192.A O no hydrogen 3.162 N/A HIS 217.A N PRO 213.A O no hydrogen 3.165 N/A LEU 224.A N SER 221.A OG no hydrogen 3.178 N/A ASP 225.A N SER 221.A O no hydrogen 3.113 N/A ALA 226.A N ALA 222.A O no hydrogen 3.067 N/A VAL 227.A N ASP 223.A O no hydrogen 3.244 N/A VAL 228.A N LEU 224.A O no hydrogen 3.035 N/A LEU 229.A N ASP 225.A O no hydrogen 2.804 N/A LYS 230.A N ALA 226.A O no hydrogen 2.957 N/A ALA 231.A N VAL 227.A O no hydrogen 3.103 N/A LEU 232.A N VAL 228.A O no hydrogen 3.017 N/A ALA 233.A N LYS 230.A O no hydrogen 3.231 N/A LYS 234.A NZ GLN 204.A O no hydrogen 2.970 N/A LYS 234.A NZ HIS 205.A O no hydrogen 2.859 N/A LYS 234.A NZ GLU 208.A O no hydrogen 2.257 N/A GLU 237.A N GLU 237.A OE1 no hydrogen 2.652 N/A ASN 238.A N ASN 235.A O no hydrogen 2.916 N/A ARG 239.A N PRO 236.A O no hydrogen 3.043 N/A ARG 239.A NH1 GLU 163.A OE1 no hydrogen 3.309 N/A ARG 239.A NH1 ALA 233.A O no hydrogen 3.075 N/A ARG 239.A NH2 GLU 163.A OE1 no hydrogen 3.293 N/A ARG 239.A NH2 GLU 163.A OE2 no hydrogen 2.696 N/A ARG 239.A NH2 ARG 173.A O no hydrogen 2.876 N/A TYR 240.A OH ASP 249.A OD2 no hydrogen 2.568 N/A GLN 241.A N GLU 245.A OE2 no hydrogen 2.860 N/A GLN 241.A NE2 PRO 236.A O no hydrogen 2.733 N/A GLN 241.A NE2 ARG 239.A O no hydrogen 2.868 N/A GLU 245.A N THR 242.A OG1 no hydrogen 2.844 N/A MET 246.A N THR 242.A O no hydrogen 3.183 N/A ARG 247.A N ALA 243.A O no hydrogen 2.908 N/A ARG 247.A NE ALA 111.A O no hydrogen 3.358 N/A ALA 248.A N ALA 244.A O no hydrogen 2.888 N/A ASP 249.A N GLU 245.A O no hydrogen 3.314 N/A ASP 249.A N MET 246.A O no hydrogen 3.138 N/A LEU 250.A N MET 246.A O no hydrogen 3.073 N/A VAL 251.A N ARG 247.A O no hydrogen 2.924 N/A ARG 252.A N ALA 248.A O no hydrogen 3.100 N/A ARG 252.A NH1 ASP 249.A OD1 no hydrogen 2.917 N/A VAL 253.A N ASP 249.A O no hydrogen 3.024 N/A HIS 254.A N LEU 250.A O no hydrogen 2.903 N/A HIS 254.A NE2 GLU 108.A OE2 no hydrogen 2.770 N/A ASN 255.A N VAL 251.A O no hydrogen 3.105 N/A ASN 255.A N ARG 252.A O no hydrogen 3.002 N/A ASN 255.A ND2 VAL 251.A O no hydrogen 2.953 N/A GLY 256.A N VAL 253.A O no hydrogen 3.022 N/A GLU 257.A N ARG 252.A O no hydrogen 2.893 N/A GLU 260.A N ASP 249.A OD1 no hydrogen 2.694 N/A ALA 261.A N ASP 249.A OD2 no hydrogen 3.068 N/A