Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rue_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ARG 3.A O no hydrogen 2.326 N/A ARG 6.A N ALA 4.A O no hydrogen 2.440 N/A THR 9.A N MET 5.A O no hydrogen 3.298 N/A THR 9.A OG1 MET 5.A O no hydrogen 2.584 N/A LEU 13.A N THR 9.A O no hydrogen 3.122 N/A LEU 13.A N LEU 10.A O no hydrogen 3.002 N/A LEU 14.A N LEU 10.A O no hydrogen 2.637 N/A ALA 15.A N LEU 11.A O no hydrogen 3.093 N/A VAL 17.A N LEU 13.A O no hydrogen 2.823 N/A LEU 18.A N LEU 14.A O no hydrogen 2.918 N/A LEU 19.A N ALA 15.A O no hydrogen 3.042 N/A TYR 20.A N LEU 16.A O no hydrogen 2.841 N/A LEU 21.A N VAL 17.A O no hydrogen 2.763 N/A VAL 22.A N LEU 18.A O no hydrogen 3.029 N/A SER 23.A N LEU 19.A O no hydrogen 2.988 N/A SER 23.A OG LEU 19.A O no hydrogen 3.111 N/A SER 23.A OG TYR 20.A O no hydrogen 2.916 N/A GLY 24.A N TYR 20.A O no hydrogen 2.906 N/A ALA 25.A N LEU 21.A O no hydrogen 2.999 N/A LEU 26.A N VAL 22.A O no hydrogen 2.887 N/A VAL 27.A N SER 23.A O no hydrogen 3.276 N/A PHE 28.A N GLY 24.A O no hydrogen 3.056 N/A ARG 29.A N ALA 25.A O no hydrogen 2.682 N/A ALA 30.A N LEU 26.A O no hydrogen 3.436 N/A LEU 31.A N VAL 27.A O no hydrogen 3.219 N/A GLU 32.A N ARG 29.A O no hydrogen 3.283 N/A GLN 33.A N ARG 29.A O no hydrogen 2.849 N/A GLU 36.A N GLU 32.A O no hydrogen 2.550 N/A GLN 37.A N GLU 36.A OE2 no hydrogen 2.561 N/A ARG 41.A NH1 ARG 41.A O no hydrogen 3.432 N/A GLU 42.A N GLN 40.A O no hydrogen 2.505 N/A LEU 43.A N GLN 40.A O no hydrogen 3.022 N/A GLY 44.A N GLN 40.A O no hydrogen 3.328 N/A VAL 46.A N GLU 42.A O no hydrogen 3.189 N/A LYS 49.A N GLU 45.A O no hydrogen 3.133 N/A PHE 50.A N ARG 47.A O no hydrogen 3.215 N/A LEU 51.A N ARG 47.A O no hydrogen 3.206 N/A ARG 52.A N GLU 48.A O no hydrogen 3.297 N/A SER 58.A N GLU 61.A OE2 no hydrogen 2.869 N/A GLU 61.A N SER 58.A OG no hydrogen 3.241 N/A LEU 62.A N SER 58.A O no hydrogen 3.085 N/A GLY 63.A N ASP 59.A O no hydrogen 2.990 N/A LEU 64.A N GLN 60.A O no hydrogen 3.297 N/A LEU 65.A N GLU 61.A O no hydrogen 3.175 N/A ILE 66.A N LEU 62.A O no hydrogen 3.142 N/A LYS 67.A N GLY 63.A O no hydrogen 3.412 N/A GLU 68.A N LEU 64.A O no hydrogen 2.767 N/A VAL 69.A N LEU 65.A O no hydrogen 2.933 N/A ALA 70.A N ILE 66.A O no hydrogen 2.754 N/A ASP 71.A N LYS 67.A O no hydrogen 3.100 N/A LEU 73.A N VAL 69.A O no hydrogen 2.666 N/A GLY 74.A N ALA 70.A O no hydrogen 3.007 N/A GLY 75.A N ALA 72.A O no hydrogen 3.104 N/A TRP 84.A N SER 82.A OG no hydrogen 3.382 N/A SER 88.A N ASP 85.A OD1 no hydrogen 3.056 N/A SER 88.A OG ASP 85.A OD1 no hydrogen 3.227 N/A ALA 89.A N ASP 85.A O no hydrogen 2.912 N/A PHE 90.A N LEU 86.A O no hydrogen 3.230 N/A PHE 91.A N GLY 87.A O no hydrogen 2.802 N/A PHE 92.A N SER 88.A O no hydrogen 2.662 N/A SER 93.A N ALA 89.A O no hydrogen 3.071 N/A SER 93.A OG ALA 89.A O no hydrogen 2.859 N/A ILE 94.A N PHE 90.A O no hydrogen 3.217 N/A THR 95.A N PHE 91.A O no hydrogen 3.145 N/A THR 95.A OG1 PHE 92.A O no hydrogen 2.475 N/A ILE 96.A N SER 93.A O no hydrogen 3.166 N/A ILE 97.A N SER 93.A O no hydrogen 3.422 N/A THR 98.A N ILE 94.A O no hydrogen 2.993 N/A THR 98.A OG1 ILE 94.A O no hydrogen 2.424 N/A THR 99.A N ILE 96.A O no hydrogen 3.043 N/A THR 99.A OG1 THR 98.A O no hydrogen 2.463 N/A GLY 101.A N THR 95.A O no hydrogen 2.776 N/A TYR 102.A OH THR 205.A OG1 no hydrogen 2.809 N/A ARG 108.A NE GLY 74.A O no hydrogen 2.848 N/A ARG 113.A N THR 109.A O no hydrogen 3.148 N/A ARG 113.A NE LEU 107.A O no hydrogen 3.503 N/A ARG 113.A NH2 LEU 107.A O no hydrogen 3.273 N/A LEU 114.A N ASP 110.A O no hydrogen 3.422 N/A PHE 115.A N ALA 111.A O no hydrogen 3.330 N/A CYS 116.A N GLY 112.A O no hydrogen 2.968 N/A ILE 117.A N ARG 113.A O no hydrogen 3.300 N/A ILE 117.A N LEU 114.A O no hydrogen 3.156 N/A PHE 118.A N LEU 114.A O no hydrogen 3.509 N/A TYR 119.A N PHE 115.A O no hydrogen 2.967 N/A ALA 120.A N CYS 116.A O no hydrogen 2.886 N/A ALA 120.A N ILE 117.A O no hydrogen 3.155 N/A LEU 121.A N ILE 117.A O no hydrogen 2.920 N/A VAL 122.A N PHE 118.A O no hydrogen 3.117 N/A GLY 123.A N TYR 119.A O no hydrogen 2.875 N/A ILE 124.A N ALA 120.A O no hydrogen 3.309 N/A LEU 126.A N VAL 122.A O no hydrogen 3.264 N/A PHE 127.A N GLY 123.A O no hydrogen 2.916 N/A GLY 128.A N ILE 124.A O no hydrogen 2.752 N/A ILE 129.A N PRO 125.A O no hydrogen 2.922 N/A LEU 130.A N LEU 126.A O no hydrogen 3.304 N/A LEU 131.A N PHE 127.A O no hydrogen 2.983 N/A GLY 133.A N ILE 129.A O no hydrogen 3.159 N/A VAL 134.A N LEU 130.A O no hydrogen 3.202 N/A GLY 135.A N ALA 132.A O no hydrogen 2.951 N/A ASP 136.A N ALA 132.A O no hydrogen 2.896 N/A ARG 137.A N GLY 133.A O no hydrogen 3.355 N/A GLY 139.A N ASP 136.A O no hydrogen 2.992 N/A SER 140.A N ARG 137.A O no hydrogen 3.337 N/A LEU 142.A N LEU 138.A O no hydrogen 3.094 N/A LEU 142.A N GLY 139.A O no hydrogen 3.109 N/A ARG 143.A N GLY 139.A O no hydrogen 2.837 N/A HIS 144.A N SER 140.A O no hydrogen 3.007 N/A GLY 145.A N LEU 142.A O no hydrogen 2.847 N/A ILE 146.A N LEU 142.A O no hydrogen 2.959 N/A HIS 148.A N GLY 145.A O no hydrogen 2.907 N/A ILE 149.A N GLY 145.A O no hydrogen 3.279 N/A PHE 153.A N ALA 151.A O no hydrogen 2.450 N/A LYS 155.A N ILE 152.A O no hydrogen 3.300 N/A VAL 158.A N TRP 156.A O no hydrogen 2.675 N/A VAL 163.A N PRO 159.A O no hydrogen 2.886 N/A ARG 164.A N GLU 161.A O no hydrogen 3.287 N/A VAL 165.A N LEU 162.A O no hydrogen 2.854 N/A LEU 166.A N VAL 163.A O no hydrogen 3.082 N/A SER 167.A N VAL 163.A O no hydrogen 2.577 N/A SER 167.A OG VAL 163.A O no hydrogen 2.355 N/A LEU 170.A N SER 167.A O no hydrogen 3.289 N/A LEU 172.A N ALA 168.A O no hydrogen 2.816 N/A LEU 173.A N MET 169.A O no hydrogen 2.823 N/A ILE 174.A N LEU 170.A O no hydrogen 2.965 N/A CYS 176.A N LEU 172.A O no hydrogen 2.821 N/A LEU 178.A N ILE 174.A O no hydrogen 3.029 N/A PHE 179.A N GLY 175.A O no hydrogen 3.034 N/A LEU 181.A N CYS 176.A O no hydrogen 3.349 N/A THR 182.A N LEU 177.A O no hydrogen 2.904 N/A THR 182.A OG1 LEU 177.A O no hydrogen 2.631 N/A THR 184.A OG1 VAL 180.A O no hydrogen 3.071 N/A THR 184.A OG1 LEU 181.A O no hydrogen 2.559 N/A PHE 185.A N LEU 181.A O no hydrogen 3.334 N/A VAL 186.A N THR 182.A O no hydrogen 3.260 N/A PHE 187.A N PRO 183.A O no hydrogen 2.740 N/A CYS 188.A N THR 184.A O no hydrogen 3.111 N/A CYS 188.A SG THR 184.A O no hydrogen 3.137 N/A CYS 188.A SG TRP 193.A O no hydrogen 3.319 N/A CYS 188.A SG SER 194.A O no hydrogen 3.185 N/A TYR 189.A N VAL 186.A O no hydrogen 2.998 N/A GLU 191.A N PHE 187.A O no hydrogen 2.786 N/A SER 194.A N GLU 197.A OE1 no hydrogen 3.226 N/A GLU 197.A N SER 194.A OG no hydrogen 3.233 N/A ALA 198.A N SER 194.A O no hydrogen 3.256 N/A TYR 200.A N LEU 196.A O no hydrogen 2.856 N/A TYR 200.A OH ASP 213.A OD2 no hydrogen 3.211 N/A PHE 201.A N GLU 197.A O no hydrogen 2.949 N/A VAL 202.A N ALA 198.A O no hydrogen 2.902 N/A ILE 203.A N ILE 199.A O no hydrogen 3.046 N/A VAL 204.A N TYR 200.A O no hydrogen 3.335 N/A THR 205.A N PHE 201.A O no hydrogen 2.748 N/A THR 205.A OG1 TYR 102.A OH no hydrogen 2.809 N/A THR 205.A OG1 PHE 201.A O no hydrogen 2.667 N/A LEU 206.A N VAL 202.A O no hydrogen 2.910 N/A THR 207.A N ILE 203.A O no hydrogen 3.038 N/A THR 207.A OG1 ILE 203.A O no hydrogen 2.477 N/A THR 207.A OG1 VAL 204.A O no hydrogen 3.174 N/A THR 208.A N THR 205.A O no hydrogen 3.038 N/A THR 208.A OG1 THR 207.A O no hydrogen 2.428 N/A VAL 209.A N VAL 204.A O no hydrogen 3.124 N/A GLY 210.A N VAL 204.A O no hydrogen 3.229 N/A ARG 221.A N ASP 219.A O no hydrogen 2.982 N/A SER 224.A OG PRO 220.A O no hydrogen 3.173 N/A GLN 228.A NE2 GLY 217.A O no hydrogen 2.516 N/A LEU 230.A N ALA 226.A O no hydrogen 2.629 N/A VAL 231.A N GLN 228.A O no hydrogen 2.907 N/A TRP 232.A N GLN 228.A O no hydrogen 3.314 N/A PHE 233.A N PRO 229.A O no hydrogen 3.256 N/A TRP 234.A N LEU 230.A O no hydrogen 2.818 N/A TRP 234.A NE1 PHE 179.A O no hydrogen 3.249 N/A ILE 235.A N VAL 231.A O no hydrogen 3.025 N/A LEU 236.A N TRP 232.A O no hydrogen 2.494 N/A LEU 237.A N PHE 233.A O no hydrogen 2.984 N/A GLY 238.A N TRP 234.A O no hydrogen 2.890 N/A LEU 239.A N ILE 235.A O no hydrogen 2.618 N/A TYR 241.A N LEU 237.A O no hydrogen 2.979 N/A TYR 241.A OH PHE 171.A O no hydrogen 2.596 N/A TYR 241.A OH LEU 172.A O no hydrogen 3.102 N/A PHE 242.A N GLY 238.A O no hydrogen 3.508 N/A ALA 243.A N LEU 239.A O no hydrogen 3.072 N/A SER 244.A N ALA 240.A O no hydrogen 3.188 N/A SER 244.A N TYR 241.A O no hydrogen 3.071 N/A SER 244.A OG TYR 241.A O no hydrogen 2.473 N/A VAL 245.A N TYR 241.A O no hydrogen 3.002 N/A LEU 246.A N PHE 242.A O no hydrogen 3.069 N/A THR 247.A N SER 244.A O no hydrogen 3.111 N/A THR 247.A OG1 ALA 243.A O no hydrogen 2.735 N/A THR 247.A OG1 SER 244.A O no hydrogen 2.677 N/A THR 248.A N SER 244.A O no hydrogen 2.683 N/A THR 248.A OG1 SER 244.A O no hydrogen 2.399 N/A ILE 249.A N VAL 245.A O no hydrogen 2.985 N/A GLY 250.A N THR 247.A O no hydrogen 3.138 N/A ASN 251.A N ILE 249.A O no hydrogen 2.729 N/A