Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rra_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 23.A OD2 no hydrogen 3.051 N/A ILE 3.A N GLN 55.A O no hydrogen 2.926 N/A THR 4.A N GLU 21.A O no hydrogen 2.895 N/A THR 7.A N LYS 19.A O no hydrogen 3.068 N/A THR 8.A OG1 GLU 42.A OE2 no hydrogen 2.813 N/A THR 8.A OG1 HIS 46.A NE2 no hydrogen 2.805 N/A TYR 9.A N PHE 17.A O no hydrogen 2.788 N/A ARG 10.A NE GLU 42.A OE1 no hydrogen 2.802 N/A ARG 10.A NH2 GLU 42.A OE1 no hydrogen 2.856 N/A ARG 10.A NH2 GLU 42.A OE2 no hydrogen 3.551 N/A LEU 11.A N TRP 15.A O no hydrogen 2.961 N/A PHE 17.A N TYR 9.A O no hydrogen 2.972 N/A LEU 18.A N GLY 30.A O no hydrogen 2.953 N/A LYS 19.A N THR 7.A O no hydrogen 2.781 N/A LYS 19.A NZ TYR 9.A OH no hydrogen 3.281 N/A LYS 19.A NZ GLU 21.A OE1 no hydrogen 3.342 N/A LYS 19.A NZ GLU 346.A OE1 no hydrogen 2.965 N/A VAL 20.A N GLY 28.A O no hydrogen 2.949 N/A GLU 21.A N ARG 5.A O no hydrogen 2.978 N/A THR 22.A OG1 VAL 26.A O no hydrogen 2.600 N/A ASP 23.A N LYS 2.A O no hydrogen 2.921 N/A GLY 25.A N THR 22.A O no hydrogen 3.071 N/A VAL 26.A N THR 22.A OG1 no hydrogen 2.983 N/A GLY 28.A N VAL 20.A O no hydrogen 2.891 N/A TRP 29.A N ASP 92.A OD2 no hydrogen 3.104 N/A GLY 30.A N LEU 18.A O no hydrogen 3.145 N/A GLU 31.A N GLN 88.A OE1 no hydrogen 2.743 N/A VAL 33.A N SER 260.A O no hydrogen 3.456 N/A ARG 37.A N ILE 34.A O no hydrogen 2.826 N/A VAL 41.A N ARG 37.A O no hydrogen 3.168 N/A GLU 42.A N ALA 38.A O no hydrogen 3.041 N/A ALA 43.A N ARG 39.A O no hydrogen 3.012 N/A ALA 44.A N THR 40.A O no hydrogen 2.913 N/A VAL 45.A N VAL 41.A O no hydrogen 3.003 N/A HIS 46.A N GLU 42.A O no hydrogen 3.243 N/A HIS 46.A NE2 THR 8.A OG1 no hydrogen 2.805 N/A GLU 47.A N ALA 43.A O no hydrogen 2.973 N/A LEU 48.A N ALA 44.A O no hydrogen 2.983 N/A SER 49.A OG HIS 46.A O no hydrogen 2.602 N/A TYR 51.A N LEU 48.A O no hydrogen 3.191 N/A LEU 52.A N SER 49.A O no hydrogen 2.950 N/A ILE 53.A N SER 49.A O no hydrogen 3.023 N/A GLY 54.A N ILE 3.A O no hydrogen 2.696 N/A GLN 55.A N LEU 52.A O no hydrogen 2.900 N/A SER 58.A N ASP 56.A OD1 no hydrogen 3.233 N/A SER 58.A OG ASP 56.A OD1 no hydrogen 2.869 N/A ARG 59.A N ASP 56.A O no hydrogen 3.425 N/A ARG 59.A NE ASP 62.A OD2 no hydrogen 3.379 N/A LEU 63.A N ARG 59.A O no hydrogen 2.880 N/A TRP 64.A N ILE 60.A O no hydrogen 2.680 N/A TRP 64.A NE1 GLY 263.A O no hydrogen 2.773 N/A GLN 65.A N ASN 61.A O no hydrogen 3.092 N/A THR 66.A N ASP 62.A O no hydrogen 2.908 N/A THR 66.A OG1 ASP 62.A O no hydrogen 2.711 N/A MET 67.A N LEU 63.A O no hydrogen 3.086 N/A TYR 68.A N TRP 64.A O no hydrogen 3.007 N/A ARG 69.A N GLN 65.A O no hydrogen 2.922 N/A ARG 69.A NE GLN 65.A OE1 no hydrogen 2.780 N/A ARG 69.A NH1 GLN 65.A OE1 no hydrogen 2.874 N/A ALA 70.A N THR 66.A O no hydrogen 3.138 N/A MET 80.A N GLY 76.A O no hydrogen 3.124 N/A SER 81.A OG VAL 33.A O no hydrogen 2.595 N/A ALA 82.A N ILE 78.A O no hydrogen 3.019 N/A ILE 83.A N LEU 79.A O no hydrogen 2.815 N/A ALA 84.A N MET 80.A O no hydrogen 2.933 N/A GLY 85.A N SER 81.A O no hydrogen 3.273 N/A ILE 86.A N ALA 82.A O no hydrogen 3.134 N/A ASP 87.A N ILE 83.A O no hydrogen 2.773 N/A GLN 88.A N ALA 84.A O no hydrogen 3.104 N/A GLN 88.A NE2 GLU 31.A O no hydrogen 3.489 N/A GLN 88.A NE2 SER 260.A OG no hydrogen 3.161 N/A ALA 89.A N GLY 85.A O no hydrogen 3.302 N/A LEU 90.A N ILE 86.A O no hydrogen 3.029 N/A TRP 91.A N ASP 87.A O no hydrogen 3.083 N/A TRP 91.A NE1 THR 266.A OG1 no hydrogen 3.132 N/A ASP 92.A N GLN 88.A O no hydrogen 2.993 N/A ILE 93.A N ALA 89.A O no hydrogen 2.940 N/A LYS 94.A N LEU 90.A O no hydrogen 2.992 N/A LYS 94.A NZ SER 58.A O no hydrogen 3.049 N/A GLY 95.A N TRP 91.A O no hydrogen 3.025 N/A LYS 96.A N ASP 92.A O no hydrogen 2.988 N/A LYS 96.A NZ THR 27.A O no hydrogen 2.696 N/A LYS 96.A NZ ASP 92.A OD2 no hydrogen 3.185 N/A VAL 97.A N ILE 93.A O no hydrogen 2.782 N/A LEU 98.A N LYS 94.A O no hydrogen 3.058 N/A GLY 99.A N LYS 96.A O no hydrogen 3.304 N/A VAL 100.A N GLY 95.A O no hydrogen 2.948 N/A VAL 102.A N GLY 339.A O no hydrogen 2.913 N/A GLU 104.A N PRO 101.A O no hydrogen 3.038 N/A LEU 105.A N VAL 102.A O no hydrogen 2.913 N/A LEU 106.A N VAL 102.A O no hydrogen 3.344 N/A GLY 108.A N TYR 103.A O no hydrogen 2.820 N/A VAL 110.A N PHE 301.A O no hydrogen 2.981 N/A ARG 111.A NH1 ASP 300.A O no hydrogen 2.640 N/A ARG 111.A NH1 SER 303.A O no hydrogen 2.480 N/A ARG 111.A NH2 TRP 304.A O no hydrogen 2.741 N/A MET 114.A N ILE 332.A O no hydrogen 2.903 N/A THR 116.A N GLY 330.A O no hydrogen 2.825 N/A THR 116.A OG1 GLY 330.A O no hydrogen 2.854 N/A TYR 117.A N GLN 309.A O no hydrogen 2.970 N/A TYR 117.A OH GLU 310.A OE1 no hydrogen 3.175 N/A SER 118.A N HIS 142.A O no hydrogen 3.422 N/A TRP 119.A NE1 ASN 146.A OD1 no hydrogen 3.224 N/A VAL 120.A N LYS 144.A O no hydrogen 3.086 N/A ARG 124.A N ASP 127.A OD2 no hydrogen 3.345 N/A VAL 128.A N ARG 124.A O no hydrogen 3.314 N/A ILE 129.A N PRO 125.A O no hydrogen 3.089 N/A ALA 130.A N ALA 126.A O no hydrogen 3.099 N/A GLY 131.A N ASP 127.A O no hydrogen 3.162 N/A MET 132.A N VAL 128.A O no hydrogen 3.071 N/A LYS 133.A N ILE 129.A O no hydrogen 2.804 N/A ALA 134.A N ALA 130.A O no hydrogen 3.014 N/A LEU 135.A N GLY 131.A O no hydrogen 3.185 N/A GLN 136.A N MET 132.A O no hydrogen 2.874 N/A ALA 137.A N LYS 133.A O no hydrogen 3.372 N/A GLY 138.A N ALA 134.A O no hydrogen 3.243 N/A GLY 139.A N LEU 135.A O no hydrogen 2.878 N/A GLY 139.A N GLN 136.A O no hydrogen 2.987 N/A PHE 140.A N LEU 135.A O no hydrogen 2.879 N/A HIS 142.A ND1 ASP 141.A OD1 no hydrogen 2.857 N/A PHE 143.A N GLU 179.A O no hydrogen 2.856 N/A LYS 144.A N SER 118.A O no hydrogen 2.862 N/A LYS 144.A NZ ASP 183.A OD2 no hydrogen 3.479 N/A LYS 144.A NZ GLU 209.A OE1 no hydrogen 3.074 N/A LYS 144.A NZ GLU 209.A OE2 no hydrogen 2.915 N/A LYS 144.A NZ GLU 310.A OE1 no hydrogen 2.849 N/A LEU 145.A N GLY 181.A O no hydrogen 2.872 N/A GLY 147.A N ASP 183.A O no hydrogen 2.823 N/A ILE 154.A N ARG 187.A O no hydrogen 2.805 N/A ALA 159.A N THR 156.A OG1 no hydrogen 3.330 N/A VAL 160.A N THR 156.A O no hydrogen 2.914 N/A ASP 161.A N SER 157.A O no hydrogen 2.821 N/A ALA 162.A N ARG 158.A O no hydrogen 3.173 N/A ALA 163.A N ALA 159.A O no hydrogen 3.234 N/A VAL 164.A N VAL 160.A O no hydrogen 2.900 N/A ALA 165.A N ASP 161.A O no hydrogen 2.776 N/A ARG 166.A N ALA 162.A O no hydrogen 3.093 N/A ARG 166.A NH1 ASN 146.A O no hydrogen 3.455 N/A ARG 166.A NH2 ASN 146.A O no hydrogen 2.712 N/A VAL 167.A N ALA 163.A O no hydrogen 3.273 N/A ALA 168.A N VAL 164.A O no hydrogen 2.775 N/A GLU 169.A N ALA 165.A O no hydrogen 3.100 N/A ILE 170.A N ARG 166.A O no hydrogen 3.155 N/A ARG 171.A N VAL 167.A O no hydrogen 2.895 N/A ARG 171.A NE TYR 203.A O no hydrogen 2.764 N/A ARG 171.A NH1 GLY 175.A O no hydrogen 2.596 N/A ARG 171.A NH1 VAL 178.A O no hydrogen 3.063 N/A ARG 171.A NH2 TYR 203.A O no hydrogen 3.289 N/A SER 172.A N ALA 168.A O no hydrogen 2.953 N/A SER 172.A OG ALA 168.A O no hydrogen 3.407 N/A SER 172.A OG GLU 169.A O no hydrogen 2.808 N/A ALA 173.A N ILE 170.A O no hydrogen 3.305 N/A PHE 174.A N ARG 171.A O no hydrogen 3.025 N/A GLY 175.A N ARG 171.A O no hydrogen 2.788 N/A THR 177.A OG1 PHE 174.A O no hydrogen 2.610 N/A GLU 179.A N ASP 141.A O no hydrogen 2.604 N/A GLY 181.A N PHE 143.A O no hydrogen 2.982 N/A LEU 182.A N PHE 207.A O no hydrogen 2.927 N/A ASP 183.A N LEU 145.A O no hydrogen 2.876 N/A PHE 184.A N GLU 209.A O no hydrogen 3.022 N/A HIS 185.A N ASP 183.A OD1 no hydrogen 2.875 N/A HIS 185.A NE2 ASN 146.A OD1 no hydrogen 3.073 N/A GLY 186.A N GLU 210.A O no hydrogen 2.801 N/A ARG 187.A N PHE 184.A O no hydrogen 2.973 N/A ARG 187.A NE GLY 152.A O no hydrogen 2.736 N/A SER 189.A N ILE 154.A O no hydrogen 3.077 N/A SER 189.A OG ILE 154.A O no hydrogen 3.477 N/A MET 192.A N SER 189.A O no hydrogen 2.910 N/A LYS 194.A NZ HIS 226.A NE2.B no hydrogen 3.517 N/A LEU 196.A N MET 192.A O no hydrogen 3.075 N/A ILE 197.A N ALA 193.A O no hydrogen 3.267 N/A LYS 198.A N LYS 194.A O no hydrogen 3.083 N/A GLU 199.A N VAL 195.A O no hydrogen 2.911 N/A LEU 200.A N LEU 196.A O no hydrogen 2.976 N/A GLU 201.A N LYS 198.A O no hydrogen 3.363 N/A TYR 203.A N LEU 200.A O no hydrogen 2.996 N/A ARG 204.A N GLU 201.A O no hydrogen 3.208 N/A LEU 206.A N PHE 180.A O no hydrogen 2.661 N/A ILE 208.A N PRO 230.A O no hydrogen 2.813 N/A GLU 209.A N LEU 182.A O no hydrogen 2.612 N/A GLU 210.A N ALA 232.A O no hydrogen 3.036 N/A THR 219.A N GLN 216.A O no hydrogen 3.352 N/A THR 219.A OG1 GLN 216.A O no hydrogen 2.722 N/A TYR 220.A OH VAL 212.A O no hydrogen 2.870 N/A ARG 222.A N GLU 218.A O no hydrogen 2.911 N/A LEU 223.A N THR 219.A O no hydrogen 2.892 N/A ALA 224.A N TYR 220.A O no hydrogen 2.823 N/A ALA 225.A N ALA 221.A O no hydrogen 3.061 N/A HIS 226.A N LEU 223.A O no hydrogen 3.191 N/A HIS 226.A ND1.A ARG 222.A O no hydrogen 2.777 N/A THR 227.A N ALA 224.A O no hydrogen 3.250 N/A THR 227.A OG1 GLU 201.A OE2 no hydrogen 2.775 N/A HIS 228.A N GLU 201.A OE2 no hydrogen 3.338 N/A LEU 229.A N THR 227.A OG1 no hydrogen 2.962 N/A ALA 232.A N ILE 208.A O no hydrogen 2.823 N/A ALA 233.A N ILE 254.A O no hydrogen 3.168 N/A ARG 236.A NE GLU 210.A OE1 no hydrogen 2.832 N/A ARG 236.A NE GLU 210.A OE2 no hydrogen 3.290 N/A ARG 236.A NH1 GLU 210.A OE1 no hydrogen 2.946 N/A ARG 236.A NH2 TRP 371.A O no hydrogen 3.482 N/A MET 237.A N GLY 234.A O no hydrogen 3.294 N/A SER 239.A N ASP 242.A OD1 no hydrogen 3.458 N/A SER 239.A OG ASP 242.A OD1 no hydrogen 2.829 N/A ARG 240.A NH1 GLU 267.A OE2 no hydrogen 2.933 N/A ASP 242.A N SER 239.A O no hydrogen 3.281 N/A ASP 242.A N SER 239.A OG no hydrogen 2.989 N/A LYS 244.A N ARG 240.A O no hydrogen 2.870 N/A ARG 245.A N PHE 241.A O no hydrogen 3.250 N/A VAL 246.A N ASP 242.A O no hydrogen 3.364 N/A LEU 247.A N PHE 243.A O no hydrogen 2.868 N/A GLU 248.A N LYS 244.A O no hydrogen 2.803 N/A ALA 249.A N ARG 245.A O no hydrogen 3.158 N/A GLY 250.A N VAL 246.A O no hydrogen 3.277 N/A SER 253.A N ILE 231.A O no hydrogen 2.944 N/A ILE 254.A N ILE 231.A O no hydrogen 3.378 N/A LEU 255.A N ALA 281.A O no hydrogen 2.840 N/A GLN 256.A N ALA 233.A O no hydrogen 2.830 N/A GLN 256.A NE2 GLU 209.A OE2 no hydrogen 2.780 N/A SER 260.A N ASP 258.A OD1 no hydrogen 2.881 N/A SER 260.A OG GLU 31.A O no hydrogen 2.586 N/A HIS 261.A N ASP 258.A O no hydrogen 3.192 N/A HIS 261.A NE2 PRO 77.A O no hydrogen 2.963 N/A ALA 262.A N ASP 258.A O no hydrogen 2.849 N/A THR 266.A N ASP 87.A OD1 no hydrogen 2.981 N/A THR 266.A OG1 ASP 87.A OD1 no hydrogen 3.437 N/A THR 266.A OG1 ASP 87.A OD2 no hydrogen 2.500 N/A CYS 268.A N GLY 264.A O no hydrogen 2.729 N/A CYS 268.A SG ASP 258.A O no hydrogen 3.865 N/A VAL 269.A N ILE 265.A O no hydrogen 3.075 N/A ILE 271.A N GLU 267.A O no hydrogen 3.043 N/A ALA 272.A N CYS 268.A O no hydrogen 3.012 N/A ALA 273.A N VAL 269.A O no hydrogen 3.249 N/A MET 274.A N LYS 270.A O no hydrogen 3.001 N/A ALA 275.A N ILE 271.A O no hydrogen 2.945 N/A GLU 276.A N ALA 272.A O no hydrogen 3.243 N/A ALA 277.A N MET 274.A O no hydrogen 3.134 N/A TYR 278.A N ALA 275.A O no hydrogen 3.199 N/A ALA 281.A N SER 253.A O no hydrogen 2.857 N/A LEU 282.A N ASN 305.A O no hydrogen 3.161 N/A ALA 283.A N LEU 255.A O no hydrogen 2.798 N/A HIS 285.A N PRO 257.A O no hydrogen 2.980 N/A GLY 289.A N GLU 31.A OE1 no hydrogen 2.750 N/A ALA 292.A N GLU 31.A OE2 no hydrogen 3.065 N/A LEU 293.A N GLY 289.A O no hydrogen 3.212 N/A ALA 294.A N PRO 290.A O no hydrogen 3.089 N/A ALA 295.A N ILE 291.A O no hydrogen 3.025 N/A CYS 296.A N ALA 292.A O no hydrogen 2.978 N/A CYS 296.A SG ALA 292.A O no hydrogen 3.626 N/A LEU 297.A N LEU 293.A O no hydrogen 2.991 N/A HIS 298.A N ALA 294.A O no hydrogen 3.210 N/A VAL 299.A N ALA 295.A O no hydrogen 3.408 N/A ASP 300.A N CYS 296.A O no hydrogen 2.869 N/A PHE 301.A N LEU 297.A O no hydrogen 2.863 N/A VAL 302.A N VAL 299.A O no hydrogen 3.299 N/A SER 303.A N VAL 299.A O no hydrogen 3.003 N/A SER 303.A OG VAL 299.A O no hydrogen 2.694 N/A ASN 305.A ND2 ALA 272.A O no hydrogen 2.984 N/A ALA 306.A N SER 303.A O no hydrogen 3.348 N/A THR 307.A N LEU 282.A O no hydrogen 2.935 N/A THR 307.A OG1 LEU 282.A O no hydrogen 3.463 N/A GLN 309.A N ARG 115.A O no hydrogen 2.786 N/A GLN 309.A NE2 ASP 300.A OD1 no hydrogen 2.516 N/A GLN 309.A NE2 ASP 300.A OD2 no hydrogen 3.294 N/A GLN 311.A N TYR 117.A O no hydrogen 3.116 N/A SER 312.A OG PRO 287.A O no hydrogen 3.271 N/A ARG 320.A N ASP 343.A O no hydrogen 2.806 N/A ARG 320.A NH2 ASP 343.A OD1 no hydrogen 2.800 N/A ASN 321.A ND2 ASP 324.A OD1 no hydrogen 2.767 N/A ASN 321.A ND2 GLY 341.A O no hydrogen 2.862 N/A ASP 324.A N ASN 321.A O no hydrogen 3.226 N/A PHE 325.A N LYS 322.A O no hydrogen 3.290 N/A ALA 326.A N ALA 323.A O no hydrogen 3.259 N/A GLU 328.A N TYR 331.A O no hydrogen 3.117 N/A TYR 331.A N GLU 328.A O no hydrogen 3.105 N/A ILE 332.A N MET 114.A O no hydrogen 2.817 N/A ARG 336.A NE ASP 324.A OD2 no hydrogen 2.983 N/A ARG 336.A NH2 ASP 324.A OD1 no hydrogen 3.234 N/A ARG 336.A NH2 ASP 324.A OD2 no hydrogen 3.544 N/A GLY 339.A N VAL 100.A O no hydrogen 2.925 N/A LEU 340.A N ASP 92.A OD1 no hydrogen 2.693 N/A ASP 343.A N ASN 321.A OD1 no hydrogen 2.673 N/A ASP 345.A N TYR 318.A O no hydrogen 2.808 N/A LEU 348.A N ASP 345.A OD1 no hydrogen 3.492 N/A VAL 349.A N ASP 345.A O no hydrogen 2.969 N/A ILE 350.A N GLU 346.A O no hydrogen 2.864 N/A GLU 351.A N ALA 347.A O no hydrogen 3.055 N/A SER 353.A N VAL 349.A O no hydrogen 3.212 N/A SER 353.A OG ILE 350.A O no hydrogen 2.598 N/A ARG 362.A NH1 GLY 366.A O no hydrogen 2.809 N/A HIS 363.A N SER 367.A O no hydrogen 2.921 N/A HIS 363.A ND1 SER 367.A OG no hydrogen 2.950 N/A GLY 366.A N HIS 363.A O no hydrogen 3.127 N/A SER 367.A N ASP 365.A OD1 no hydrogen 3.077 N/A SER 367.A OG HIS 363.A ND1 no hydrogen 2.950 N/A SER 367.A OG ASP 365.A OD1 no hydrogen 2.747 N/A ALA 369.A N TRP 361.A O no hydrogen 2.980 N/A