Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.376 N/A ARG 2.A NH1 THR 157.A O no hydrogen 2.978 N/A ARG 2.A NH1 ASP 172.A OD2 no hydrogen 2.929 N/A ARG 2.A NH2 ASP 172.A OD1 no hydrogen 2.770 N/A ARG 2.A NH2 ASP 172.A OD2 no hydrogen 3.340 N/A LEU 5.A N ARG 2.A O no hydrogen 2.988 N/A ARG 6.A N ASP 3.A O no hydrogen 3.038 N/A ARG 6.A NE THR 157.A OG1 no hydrogen 2.910 N/A ARG 6.A NH1 THR 157.A O no hydrogen 2.960 N/A ARG 6.A NH1 GLU 162.A OE1 no hydrogen 3.472 N/A LEU 9.A N GLU 59.A OE2 no hydrogen 2.713 N/A ASP 10.A N ASN 181.A OD1 no hydrogen 2.603 N/A SER 13.A N ASP 10.A OD1 no hydrogen 3.064 N/A LEU 14.A N ASP 10.A O no hydrogen 3.064 N/A ARG 15.A N GLU 11.A O no hydrogen 2.987 N/A ARG 15.A NE LEU 28.A O no hydrogen 2.836 N/A ARG 15.A NH2 LEU 28.A O no hydrogen 3.126 N/A ASP 16.A N ARG 12.A O no hydrogen 3.117 N/A GLN 17.A N SER 13.A O no hydrogen 3.180 N/A GLN 17.A NE2 SER 13.A O no hydrogen 3.156 N/A LEU 18.A N LEU 14.A O no hydrogen 3.022 N/A ILE 19.A N ARG 15.A O no hydrogen 3.038 N/A SER 23.A N GLY 20.A O no hydrogen 3.310 N/A SER 23.A OG LEU 18.A O no hydrogen 2.434 N/A GLY 24.A N GLU 192.A OE2 no hydrogen 2.513 N/A TRP 25.A NE1 LEU 188.A O no hydrogen 2.868 N/A ARG 26.A N GLY 53.A O no hydrogen 2.728 N/A ARG 26.A NE ASP 52.A O no hydrogen 2.915 N/A ARG 26.A NH1 ASP 50.A O no hydrogen 2.866 N/A ARG 26.A NH1 ASP 52.A O no hydrogen 2.818 N/A GLN 27.A N GLY 53.A O no hydrogen 3.389 N/A GLN 27.A NE2 ASP 29.A OD2 no hydrogen 2.836 N/A ASP 29.A N VAL 55.A O no hydrogen 2.967 N/A VAL 30.A N GLU 11.A OE2 no hydrogen 2.795 N/A VAL 31.A N ILE 57.A O no hydrogen 2.816 N/A THR 34.A N HIS 60.A O no hydrogen 3.255 N/A THR 34.A OG1 ASP 40.A OD1 no hydrogen 3.504 N/A THR 34.A OG1 ASP 40.A OD2 no hydrogen 2.544 N/A THR 37.A N GLN 61.A OE1 no hydrogen 3.000 N/A THR 37.A OG1 GLN 61.A OE1 no hydrogen 3.445 N/A THR 37.A OG1 SER 83.A OG no hydrogen 2.533 N/A ASN 38.A ND2 LEU 140.A O no hydrogen 3.333 N/A ASN 38.A ND2 GLU 142.A OE1 no hydrogen 2.899 N/A ALA 39.A N SER 36.A OG no hydrogen 3.391 N/A ASP 40.A N SER 36.A O no hydrogen 2.999 N/A LEU 41.A N THR 37.A O no hydrogen 3.230 N/A LEU 42.A N ASN 38.A O no hydrogen 3.065 N/A ALA 43.A N ALA 39.A O no hydrogen 2.951 N/A ARG 44.A N ASP 40.A O no hydrogen 2.977 N/A ALA 45.A N LEU 41.A O no hydrogen 3.171 N/A ALA 46.A N LEU 42.A O no hydrogen 2.946 N/A SER 47.A N ARG 44.A O no hydrogen 2.999 N/A SER 47.A OG ALA 43.A O no hydrogen 3.448 N/A GLY 48.A N ALA 45.A O no hydrogen 3.155 N/A ALA 49.A N ARG 44.A O no hydrogen 3.099 N/A ASP 52.A N ASP 50.A OD1 no hydrogen 3.264 N/A GLY 53.A N GLY 85.A O no hydrogen 2.891 N/A VAL 54.A N ILE 51.A O no hydrogen 3.050 N/A VAL 55.A N GLN 27.A O no hydrogen 2.552 N/A LEU 56.A N SER 83.A O no hydrogen 2.972 N/A ILE 57.A N ASP 29.A O no hydrogen 2.824 N/A ALA 58.A N ILE 81.A O no hydrogen 2.730 N/A GLU 59.A N VAL 31.A O no hydrogen 3.035 N/A THR 62.A N THR 34.A O no hydrogen 3.018 N/A THR 62.A OG1 THR 34.A O no hydrogen 3.418 N/A ALA 63.A N GLY 35.A O no hydrogen 2.799 N/A ARG 65.A NH1 GLU 142.A OE1 no hydrogen 3.279 N/A ARG 65.A NH1 GLU 142.A OE2 no hydrogen 2.908 N/A GLY 66.A N ARG 70.A O no hydrogen 2.642 N/A ARG 67.A NH1 ASP 128.A OD1 no hydrogen 3.467 N/A ARG 67.A NH1 ILE 139.A O no hydrogen 3.254 N/A ARG 67.A NH2 ASP 128.A OD1 no hydrogen 3.107 N/A ARG 70.A N ARG 67.A O no hydrogen 3.140 N/A ARG 70.A NH1 ASP 258.A OD1 no hydrogen 3.440 N/A ARG 70.A NH1 ASP 258.A OD2 no hydrogen 2.791 N/A ARG 70.A NH2 ASP 258.A OD1 no hydrogen 3.300 N/A TRP 72.A NE1 GLN 79.A OE1 no hydrogen 3.008 N/A THR 75.A N GLN 158.A OE1 no hydrogen 2.889 N/A THR 75.A OG1 GLU 162.A OE1 no hydrogen 3.517 N/A ARG 77.A N GLU 59.A O no hydrogen 2.809 N/A ARG 77.A NH2 ARG 6.A O no hydrogen 2.949 N/A ALA 78.A N THR 75.A O no hydrogen 3.257 N/A GLN 79.A NE2 ALA 73.A O no hydrogen 2.948 N/A GLN 79.A NE2 GLN 158.A OE1 no hydrogen 2.846 N/A ILE 80.A N LEU 154.A O no hydrogen 2.900 N/A LEU 82.A N VAL 152.A O no hydrogen 3.226 N/A SER 83.A N LEU 56.A O no hydrogen 2.909 N/A SER 83.A OG THR 37.A OG1 no hydrogen 2.533 N/A SER 83.A OG ASN 38.A OD1 no hydrogen 2.569 N/A VAL 84.A N LEU 150.A O no hydrogen 2.869 N/A GLY 85.A N VAL 54.A O no hydrogen 3.188 N/A VAL 86.A N VAL 148.A O no hydrogen 3.024 N/A ARG 87.A N ASP 52.A OD1 no hydrogen 3.083 N/A VAL 88.A N PRO 146.A O no hydrogen 3.048 N/A ASP 90.A N ASP 90.A OD1 no hydrogen 2.503 N/A VAL 91.A N VAL 88.A O no hydrogen 2.788 N/A GLN 94.A N GLN 94.A OE1 no hydrogen 2.768 N/A ALA 95.A N PRO 92.A O no hydrogen 3.127 N/A TRP 96.A N VAL 93.A O no hydrogen 3.275 N/A TRP 96.A NE1 VAL 91.A O no hydrogen 2.753 N/A TRP 98.A N ALA 95.A O no hydrogen 3.144 N/A LEU 99.A N TRP 96.A O no hydrogen 3.194 N/A SER 100.A OG GLY 97.A O no hydrogen 3.101 N/A ALA 102.A N TRP 98.A O no hydrogen 2.918 N/A ALA 103.A N LEU 99.A O no hydrogen 3.197 N/A GLY 104.A N SER 100.A O no hydrogen 3.363 N/A LEU 105.A N LEU 101.A O no hydrogen 3.282 N/A ALA 106.A N ALA 102.A O no hydrogen 3.160 N/A VAL 107.A N ALA 103.A O no hydrogen 3.020 N/A LEU 108.A N GLY 104.A O no hydrogen 2.979 N/A ASP 109.A N LEU 105.A O no hydrogen 3.031 N/A SER 110.A N ALA 106.A O no hydrogen 3.163 N/A SER 110.A N VAL 107.A O no hydrogen 3.295 N/A SER 110.A OG ALA 106.A O no hydrogen 3.489 N/A SER 110.A OG VAL 107.A O no hydrogen 2.391 N/A VAL 111.A N LEU 108.A O no hydrogen 3.177 N/A ALA 112.A N LEU 108.A O no hydrogen 2.860 N/A LEU 114.A N VAL 111.A O no hydrogen 3.140 N/A ILE 115.A N ALA 112.A O no hydrogen 3.348 N/A THR 121.A OG1 PRO 118.A O no hydrogen 2.897 N/A GLY 122.A N LEU 130.A O no hydrogen 2.987 N/A LEU 123.A N ARG 212.A O no hydrogen 2.763 N/A LYS 124.A N ASP 128.A O no hydrogen 2.737 N/A LYS 124.A NZ VAL 259.A O no hydrogen 3.187 N/A TRP 125.A N THR 215.A OG1 no hydrogen 2.910 N/A TRP 125.A NE1 GLY 241.A O no hydrogen 3.063 N/A ASN 127.A ND2 SER 100.A O no hydrogen 3.049 N/A ASP 128.A N LYS 124.A O no hydrogen 2.859 N/A VAL 129.A N ALA 137.A O no hydrogen 3.182 N/A LEU 130.A N GLY 122.A O no hydrogen 2.872 N/A ALA 131.A N GLY 134.A O no hydrogen 2.914 N/A ARG 132.A NH1 ASP 172.A O no hydrogen 3.123 N/A ARG 132.A NH2 LEU 173.A O no hydrogen 3.260 N/A GLY 134.A N ALA 131.A O no hydrogen 3.043 N/A LYS 135.A N ASP 166.A O no hydrogen 2.793 N/A LYS 135.A NZ ASP 128.A OD1 no hydrogen 3.467 N/A LEU 136.A N VAL 129.A O no hydrogen 2.697 N/A ALA 137.A N VAL 129.A O no hydrogen 3.300 N/A GLY 138.A N GLY 153.A O no hydrogen 2.961 N/A LEU 140.A N GLY 151.A O no hydrogen 2.970 N/A GLU 142.A N VAL 149.A O no hydrogen 3.083 N/A ALA 144.A N PHE 147.A O no hydrogen 2.902 N/A GLN 145.A N GLN 145.A OE1 no hydrogen 2.551 N/A PHE 147.A N ALA 144.A O no hydrogen 2.722 N/A VAL 148.A N VAL 86.A O no hydrogen 2.784 N/A VAL 149.A N GLU 142.A O no hydrogen 2.847 N/A LEU 150.A N VAL 84.A O no hydrogen 2.869 N/A GLY 151.A N LEU 140.A O no hydrogen 2.769 N/A VAL 152.A N LEU 82.A O no hydrogen 2.921 N/A GLY 153.A N GLY 138.A O no hydrogen 2.948 N/A LEU 154.A N ILE 80.A O no hydrogen 3.161 N/A ASN 155.A N LEU 136.A O no hydrogen 2.988 N/A VAL 156.A N ALA 78.A O no hydrogen 3.127 N/A THR 157.A N ALA 78.A O no hydrogen 2.981 N/A GLN 158.A NE2 THR 75.A OG1 no hydrogen 2.706 N/A GLU 162.A N ALA 159.A O no hydrogen 2.813 N/A VAL 163.A N PRO 160.A O no hydrogen 3.347 N/A ASP 164.A N PRO 160.A O no hydrogen 2.966 N/A ASP 166.A N ASP 164.A OD2 no hydrogen 2.881 N/A ALA 167.A N ASP 164.A O no hydrogen 3.048 N/A THR 168.A N LYS 135.A O no hydrogen 3.192 N/A SER 169.A OG GLN 158.A O no hydrogen 3.151 N/A SER 169.A OG ASP 172.A OD2 no hydrogen 2.475 N/A LEU 170.A N ASN 155.A O no hydrogen 3.233 N/A LEU 171.A N VAL 156.A O no hydrogen 3.052 N/A ASP 172.A N SER 169.A OG no hydrogen 3.250 N/A LEU 173.A N LEU 170.A O no hydrogen 3.130 N/A GLY 174.A N LEU 171.A O no hydrogen 3.355 N/A VAL 175.A N LEU 170.A O no hydrogen 2.932 N/A ARG 180.A NH1 GLU 59.A OE1 no hydrogen 3.199 N/A ARG 180.A NH1 GLN 79.A O no hydrogen 2.729 N/A ARG 180.A NH2 PRO 7.A O no hydrogen 3.137 N/A ARG 180.A NH2 GLU 59.A OE1 no hydrogen 2.563 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 2.948 N/A ARG 182.A N ASP 179.A OD1 no hydrogen 3.253 N/A ILE 183.A N ASP 179.A O no hydrogen 2.958 N/A ALA 184.A N ARG 180.A O no hydrogen 2.848 N/A SER 185.A N ASN 181.A O no hydrogen 3.245 N/A SER 185.A OG GLN 17.A OE1 no hydrogen 3.143 N/A ARG 186.A N ARG 182.A O no hydrogen 3.055 N/A ARG 186.A NE SER 110.A O no hydrogen 3.289 N/A ARG 186.A NH1 SER 110.A O no hydrogen 2.938 N/A LEU 187.A N ILE 183.A O no hydrogen 2.795 N/A LEU 188.A N ALA 184.A O no hydrogen 3.040 N/A ARG 189.A N SER 185.A O no hydrogen 3.169 N/A ARG 189.A NH1 SER 185.A OG no hydrogen 2.964 N/A GLU 190.A N ARG 186.A O no hydrogen 2.909 N/A LEU 191.A N LEU 187.A O no hydrogen 2.759 N/A GLU 192.A N LEU 188.A O no hydrogen 3.008 N/A ALA 193.A N ARG 189.A O no hydrogen 3.405 N/A ARG 194.A N GLU 190.A O no hydrogen 3.094 N/A ARG 194.A NH1 GLN 197.A OE1 no hydrogen 2.849 N/A ARG 194.A NH1 ASP 208.A OD2 no hydrogen 2.912 N/A ARG 194.A NH2 ASP 109.A OD2 no hydrogen 3.192 N/A ARG 194.A NH2 ASP 208.A OD2 no hydrogen 3.214 N/A ILE 195.A N LEU 191.A O no hydrogen 2.970 N/A ILE 196.A N GLU 192.A O no hydrogen 3.189 N/A GLN 197.A N ALA 193.A O no hydrogen 3.015 N/A TRP 198.A N ARG 194.A O no hydrogen 2.897 N/A TRP 198.A NE1 ALA 95.A O no hydrogen 2.777 N/A ARG 199.A N ILE 195.A O no hydrogen 2.861 N/A ARG 199.A NH1 ARG 87.A O no hydrogen 2.734 N/A ARG 199.A NH1 ASP 90.A OD2 no hydrogen 2.974 N/A ARG 199.A NH2 ARG 87.A O no hydrogen 2.969 N/A ASN 200.A N ILE 196.A O no hydrogen 3.108 N/A ASN 200.A ND2 ILE 196.A O no hydrogen 2.902 N/A ALA 201.A N TRP 198.A O no hydrogen 3.170 N/A ASN 202.A N GLN 197.A O no hydrogen 2.774 N/A GLN 204.A N ASN 202.A OD1 no hydrogen 3.064 N/A GLN 204.A NE2 ASP 208.A OD2 no hydrogen 3.199 N/A LEU 205.A N ASN 202.A O no hydrogen 3.038 N/A ALA 207.A N PRO 203.A O no hydrogen 3.171 N/A ASP 208.A N GLN 204.A O no hydrogen 2.771 N/A TYR 209.A N LEU 205.A O no hydrogen 3.097 N/A TYR 209.A OH PRO 126.A O no hydrogen 2.564 N/A ARG 210.A N ALA 206.A O no hydrogen 3.136 N/A ARG 210.A NE ASP 236.A OD1 no hydrogen 2.547 N/A ARG 210.A NH2 ASP 236.A OD1 no hydrogen 3.325 N/A ARG 210.A NH2 ASP 236.A OD2 no hydrogen 3.324 N/A ALA 211.A N ALA 207.A O no hydrogen 3.213 N/A ARG 212.A N TYR 209.A O no hydrogen 3.067 N/A ARG 212.A NH1.A ASP 109.A OD1 no hydrogen 3.529 N/A ARG 212.A NH1.A ASP 109.A OD2 no hydrogen 3.244 N/A ARG 212.A NH2.B ASP 109.A OD1 no hydrogen 2.285 N/A SER 213.A N ARG 210.A O no hydrogen 3.455 N/A LEU 214.A N LEU 123.A O no hydrogen 2.758 N/A THR 215.A N SER 213.A OG no hydrogen 3.232 N/A THR 215.A OG1 HIS 261.A NE2 no hydrogen 2.971 N/A ILE 216.A N SER 213.A OG no hydrogen 3.097 N/A GLY 217.A N ALA 234.A O no hydrogen 2.649 N/A SER 218.A N THR 215.A O no hydrogen 3.009 N/A SER 218.A OG ARG 219.A O no hydrogen 3.433 N/A VAL 220.A N GLY 232.A O no hydrogen 2.795 N/A ARG 221.A N VAL 260.A O no hydrogen 2.954 N/A ARG 221.A NE GLU 223.A OE2 no hydrogen 3.553 N/A VAL 222.A N VAL 230.A O no hydrogen 2.822 N/A GLU 223.A N ASP 258.A O no hydrogen 2.807 N/A LEU 224.A N GLN 228.A O no hydrogen 2.796 N/A GLY 227.A N LEU 224.A O no hydrogen 3.020 N/A VAL 230.A N VAL 222.A O no hydrogen 3.002 N/A GLY 232.A N VAL 220.A O no hydrogen 3.070 N/A ILE 233.A N ASP 246.A O no hydrogen 2.925 N/A ALA 234.A N SER 218.A O no hydrogen 3.051 N/A ARG 235.A N CYS 244.A O no hydrogen 2.956 N/A ARG 235.A NH1 ASP 246.A OD2 no hydrogen 2.953 N/A ASP 238.A N ARG 242.A O no hydrogen 3.096 N/A GLN 240.A N ASP 238.A OD1 no hydrogen 3.267 N/A GLY 241.A N ASP 238.A O no hydrogen 3.196 N/A ARG 242.A N ASP 238.A OD1 no hydrogen 2.555 N/A ARG 242.A NE ASP 238.A OD2 no hydrogen 2.861 N/A ARG 242.A NH1 ASP 238.A OD2 no hydrogen 3.108 N/A LEU 243.A N VAL 254.A O no hydrogen 2.874 N/A CYS 244.A N ASP 236.A O no hydrogen 2.840 N/A CYS 244.A SG ARG 242.A O no hydrogen 3.957 N/A LEU 245.A N VAL 252.A O no hydrogen 2.727 N/A ASP 246.A N ILE 233.A O no hydrogen 2.696 N/A VAL 247.A N ARG 250.A O no hydrogen 2.760 N/A GLY 249.A N ASP 246.A OD1 no hydrogen 3.065 N/A ARG 250.A N VAL 247.A O no hydrogen 3.132 N/A VAL 252.A N LEU 245.A O no hydrogen 2.906 N/A VAL 254.A N LEU 243.A O no hydrogen 2.729 N/A ASP 258.A N GLU 223.A O no hydrogen 2.978 N/A VAL 260.A N ARG 221.A O no hydrogen 3.046 N/A HIS 261.A ND1 GLU 120.A OE2 no hydrogen 3.322 N/A HIS 261.A NE2 THR 215.A OG1 no hydrogen 2.971 N/A LEU 262.A N ARG 219.A O no hydrogen 2.784 N/A