Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ru1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PHE 1.A O no hydrogen 2.835 N/A VAL 5.A N VAL 2.A O no hydrogen 3.427 N/A ASP 6.A N SER 164.A OG no hydrogen 2.820 N/A ASN 7.A N MET 4.A O no hydrogen 3.297 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 3.023 N/A ASN 7.A ND2 MET 165.A O no hydrogen 2.915 N/A LEU 8.A N GLY 163.A O no hydrogen 2.895 N/A ARG 9.A N TYR 17.A O no hydrogen 3.138 N/A ARG 9.A NH1 ASP 6.A OD2 no hydrogen 2.819 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.966 N/A ARG 9.A NH2 ASP 6.A OD1 no hydrogen 2.749 N/A LYS 11.A NZ SER 160.A OG no hydrogen 2.811 N/A SER 12.A N ALA 159.A O no hydrogen 2.992 N/A SER 12.A OG ALA 159.A O no hydrogen 3.214 N/A GLN 14.A N LYS 11.A O no hydrogen 2.855 N/A TYR 16.A OH GLU 317.A OE2 no hydrogen 2.590 N/A TYR 17.A N ARG 9.A O no hydrogen 2.829 N/A VAL 18.A N ILE 31.A O no hydrogen 2.865 N/A MET 20.A N LEU 29.A O no hydrogen 2.780 N/A THR 21.A N SER 88.A O no hydrogen 2.876 N/A VAL 22.A N GLN 27.A O no hydrogen 2.851 N/A GLY 23.A N LEU 86.A O no hydrogen 2.900 N/A SER 24.A N SER 59.A OG no hydrogen 3.385 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.861 N/A GLN 27.A N VAL 22.A O no hydrogen 2.787 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 2.914 N/A LEU 29.A N MET 20.A O no hydrogen 2.752 N/A ASN 30.A N GLU 118.A OE1 no hydrogen 2.981 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 3.028 N/A ILE 31.A N VAL 18.A O no hydrogen 2.802 N/A LEU 32.A N GLY 119.A O no hydrogen 2.910 N/A VAL 33.A N TYR 16.A O no hydrogen 2.792 N/A ASP 34.A N LEU 121.A O no hydrogen 2.999 N/A THR 35.A N SER 220.A OG no hydrogen 2.955 N/A THR 35.A OG1 VAL 218.A O no hydrogen 3.048 N/A GLY 36.A N ASP 34.A OD2 no hydrogen 2.987 N/A SER 37.A OG ASP 34.A OD1 no hydrogen 2.452 N/A SER 38.A OG TYR 125.A O no hydrogen 2.729 N/A ALA 41.A N ILE 120.A O no hydrogen 2.993 N/A VAL 42.A N ALA 102.A O no hydrogen 2.953 N/A GLY 43.A N GLU 118.A O no hydrogen 2.734 N/A ALA 44.A N ILE 104.A O no hydrogen 3.135 N/A HIS 47.A N ALA 45.A O no hydrogen 2.769 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.231 N/A LEU 50.A N HIS 47.A O no hydrogen 2.939 N/A ARG 52.A NE GLU 118.A OE1 no hydrogen 3.075 N/A TYR 54.A N GLY 43.A O no hydrogen 2.719 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.464 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 2.882 N/A ARG 56.A NH1 GLU 81.A OE2 no hydrogen 2.547 N/A ARG 56.A NH2 GLU 81.A OE2 no hydrogen 3.000 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 3.014 N/A LEU 58.A N GLN 55.A O no hydrogen 2.990 N/A SER 59.A N ARG 56.A O no hydrogen 3.110 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.288 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.639 N/A SER 60.A N SER 24.A O no hydrogen 3.080 N/A SER 60.A OG SER 24.A O no hydrogen 3.398 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.861 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.704 N/A TYR 62.A N SER 59.A O no hydrogen 3.443 N/A ARG 63.A N THR 84.A O no hydrogen 2.936 N/A LEU 65.A N LEU 82.A O no hydrogen 3.018 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.816 N/A VAL 69.A N GLY 80.A O no hydrogen 2.785 N/A VAL 71.A N TRP 78.A O no hydrogen 2.820 N/A TYR 73.A N GLY 76.A O no hydrogen 2.913 N/A TYR 73.A OH LYS 109.A O no hydrogen 3.316 N/A GLY 76.A N TYR 73.A O no hydrogen 3.256 N/A LYS 77.A N ASP 108.A O no hydrogen 2.998 N/A TRP 78.A N VAL 71.A O no hydrogen 3.083 N/A GLU 79.A N GLU 106.A O no hydrogen 2.895 N/A GLY 80.A N VAL 69.A O no hydrogen 2.854 N/A GLU 81.A N ALA 103.A O no hydrogen 2.948 N/A LEU 82.A N LYS 67.A O no hydrogen 2.819 N/A GLY 83.A N ILE 101.A O no hydrogen 3.022 N/A THR 84.A N ARG 63.A O no hydrogen 2.929 N/A ASP 85.A N ALA 99.A O no hydrogen 3.138 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.722 N/A VAL 87.A N VAL 97.A O no hydrogen 2.634 N/A SER 88.A N THR 21.A O no hydrogen 3.045 N/A SER 88.A OG VAL 95.A O no hydrogen 3.116 N/A GLY 92.A N ILE 89.A O no hydrogen 2.754 N/A VAL 95.A N PRO 93.A O no hydrogen 2.897 N/A THR 96.A OG1 SER 88.A OG no hydrogen 2.680 N/A VAL 97.A N VAL 87.A O no hydrogen 2.951 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 2.906 N/A ARG 98.A NH1 THR 61.A O no hydrogen 2.988 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.908 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.873 N/A ALA 99.A N ASP 85.A O no hydrogen 2.951 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.906 N/A ILE 101.A N GLY 83.A O no hydrogen 2.817 N/A ALA 102.A N PHE 40.A O no hydrogen 2.930 N/A ALA 103.A N GLU 81.A O no hydrogen 2.872 N/A ILE 104.A N VAL 42.A O no hydrogen 2.743 N/A THR 105.A N GLU 79.A O no hydrogen 2.944 N/A GLU 106.A N GLU 79.A O no hydrogen 3.353 N/A ASP 108.A N LYS 77.A O no hydrogen 2.897 N/A SER 115.A N ILE 112.A O no hydrogen 3.206 N/A SER 115.A OG ILE 112.A O no hydrogen 3.271 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.845 N/A GLU 118.A N ASN 30.A O no hydrogen 2.839 N/A ILE 120.A N ALA 41.A O no hydrogen 2.725 N/A LEU 121.A N LEU 32.A O no hydrogen 2.663 N/A GLY 122.A N ASN 39.A O no hydrogen 2.918 N/A LEU 123.A N ASP 34.A O no hydrogen 2.827 N/A ALA 124.A N SER 37.A O no hydrogen 2.817 N/A TYR 125.A N TRP 188.A O no hydrogen 2.991 N/A ILE 128.A N TYR 125.A O no hydrogen 3.265 N/A ALA 129.A N ALA 126.A O no hydrogen 2.812 N/A ARG 130.A NH2 ILE 128.A O no hydrogen 3.350 N/A SER 134.A N ASP 132.A OD2 no hydrogen 2.883 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 2.360 N/A LEU 135.A N ASP 132.A O no hydrogen 3.179 N/A SER 141.A N PRO 137.A O no hydrogen 3.177 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.719 N/A SER 141.A OG PRO 137.A O no hydrogen 3.304 N/A LEU 142.A N PHE 138.A O no hydrogen 2.885 N/A VAL 143.A N PHE 139.A O no hydrogen 2.973 N/A LYS 144.A N ASP 140.A O no hydrogen 3.063 N/A GLN 145.A N SER 141.A O no hydrogen 3.041 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.749 N/A THR 146.A N LEU 142.A O no hydrogen 3.251 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.702 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.096 N/A LEU 151.A N PRO 149.A O no hydrogen 2.776 N/A PHE 152.A N PHE 323.A O no hydrogen 3.351 N/A SER 153.A N ILE 166.A O no hydrogen 2.910 N/A SER 153.A OG GLY 169.A O no hydrogen 3.025 N/A SER 153.A OG TYR 320.A OH no hydrogen 2.583 N/A LEU 154.A N VAL 321.A O no hydrogen 2.774 N/A GLN 155.A N SER 164.A O no hydrogen 2.829 N/A GLN 155.A NE2 LEU 174.A O no hydrogen 2.961 N/A GLN 155.A NE2 SER 335.A OG no hydrogen 3.252 N/A CYS 157.A N GLY 162.A O no hydrogen 2.937 N/A CYS 157.A SG GLN 155.A OE1 no hydrogen 3.383 N/A VAL 161.A N GLY 10.A O no hydrogen 2.975 N/A GLY 163.A N LEU 8.A O no hydrogen 3.033 N/A SER 164.A N GLN 155.A O no hydrogen 2.781 N/A MET 165.A N ASN 7.A OD1 no hydrogen 2.739 N/A ILE 166.A N SER 153.A O no hydrogen 2.922 N/A GLY 168.A N LEU 151.A O no hydrogen 2.752 N/A ASP 171.A N TYR 320.A OH no hydrogen 3.014 N/A HIS 172.A ND1 TYR 175.A OH no hydrogen 2.629 N/A SER 173.A N ASP 171.A OD2 no hydrogen 3.011 N/A SER 173.A OG ASP 171.A OD2 no hydrogen 2.721 N/A LEU 174.A N ASP 171.A O no hydrogen 3.030 N/A TYR 175.A N HIS 172.A O no hydrogen 3.460 N/A TYR 175.A OH HIS 172.A ND1 no hydrogen 2.629 N/A THR 176.A N VAL 334.A O no hydrogen 2.992 N/A SER 178.A OG LEU 179.A O no hydrogen 2.844 N/A TRP 180.A N PHE 332.A O no hydrogen 2.759 N/A THR 182.A N ILE 330.A O no hydrogen 2.884 N/A THR 182.A OG1 MET 273.A O no hydrogen 2.610 N/A ILE 184.A N LYS 328.A O no hydrogen 2.756 N/A ARG 185.A N GLU 191.A O no hydrogen 2.886 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 3.268 N/A ARG 185.A NH1 TYR 362.A O no hydrogen 2.733 N/A ARG 185.A NH2 TYR 362.A O no hydrogen 3.033 N/A ARG 186.A NH1 GLU 127.A OE2 no hydrogen 2.522 N/A ARG 186.A NH2 GLU 127.A OE2 no hydrogen 3.297 N/A TRP 188.A N ARG 186.A O no hydrogen 3.019 N/A TRP 188.A N TYR 189.A O no hydrogen 3.210 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 3.063 N/A TYR 190.A OH LEU 123.A O no hydrogen 2.584 N/A VAL 192.A N SER 216.A O no hydrogen 2.888 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.918 N/A VAL 195.A N TYR 271.A O no hydrogen 2.821 N/A GLU 198.A N SER 269.A O no hydrogen 2.921 N/A ILE 199.A N GLN 202.A O no hydrogen 2.883 N/A ASN 200.A N VAL 267.A O no hydrogen 2.938 N/A GLN 202.A N ILE 199.A O no hydrogen 2.824 N/A LEU 204.A N VAL 197.A O no hydrogen 3.245 N/A LYS 205.A N ASP 203.A OD1 no hydrogen 2.640 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 2.976 N/A GLU 210.A N ASP 207.A O no hydrogen 2.886 N/A TYR 211.A N CYS 208.A O no hydrogen 3.125 N/A ASN 212.A N LYS 209.A O no hydrogen 3.410 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.720 N/A ASN 212.A ND2 CYS 360.A O no hydrogen 2.862 N/A TYR 213.A N GLU 210.A O no hydrogen 3.354 N/A ASP 214.A N ASP 214.A OD2 no hydrogen 2.616 N/A LYS 215.A NZ THR 307.A O no hydrogen 2.742 N/A SER 216.A OG TYR 211.A O no hydrogen 2.926 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.623 N/A ILE 217.A N THR 309.A O no hydrogen 3.087 N/A VAL 218.A N TYR 190.A O no hydrogen 3.003 N/A ASP 219.A N MET 311.A O no hydrogen 2.888 N/A SER 220.A N THR 35.A OG1 no hydrogen 2.943 N/A SER 220.A OG VAL 33.A O no hydrogen 2.859 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.892 N/A THR 222.A N ASP 219.A O no hydrogen 3.465 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.715 N/A LEU 225.A N ALA 301.A O no hydrogen 3.325 N/A ARG 226.A N VAL 310.A O no hydrogen 2.917 N/A LEU 227.A N SER 303.A O no hydrogen 2.868 N/A PHE 232.A N PRO 228.A O no hydrogen 2.503 N/A GLU 233.A N LYS 229.A O no hydrogen 2.757 N/A ALA 235.A N VAL 231.A O no hydrogen 2.792 N/A VAL 236.A N PHE 232.A O no hydrogen 2.648 N/A LYS 237.A N GLU 233.A O no hydrogen 2.567 N/A SER 238.A N ALA 234.A O no hydrogen 3.181 N/A ILE 239.A N ALA 235.A O no hydrogen 2.845 N/A LYS 240.A N VAL 236.A O no hydrogen 2.754 N/A LYS 240.A NZ ASP 250.A OD2 no hydrogen 3.474 N/A ALA 241.A N SER 238.A O no hydrogen 3.127 N/A ALA 242.A N SER 238.A O no hydrogen 2.853 N/A SER 244.A OG ALA 241.A O no hydrogen 3.509 N/A PHE 252.A N PRO 249.A O no hydrogen 3.119 N/A CYS 260.A SG ASP 296.A O no hydrogen 3.095 N/A VAL 267.A N ASN 200.A OD1 no hydrogen 3.217 N/A ILE 268.A N ILE 285.A O no hydrogen 2.962 N/A SER 269.A N GLU 198.A O no hydrogen 2.917 N/A SER 269.A OG THR 284.A OG1 no hydrogen 2.574 N/A LEU 270.A N ILE 283.A O no hydrogen 2.873 N/A TYR 271.A N ARG 196.A O no hydrogen 2.706 N/A TYR 271.A OH GLU 198.A OE1 no hydrogen 3.171 N/A TYR 271.A OH GLU 198.A OE2 no hydrogen 2.759 N/A LEU 272.A N PHE 281.A O no hydrogen 2.834 N/A MET 273.A N ILE 193.A O no hydrogen 3.067 N/A VAL 276.A N GLN 279.A OE1 no hydrogen 3.246 N/A GLN 279.A N VAL 276.A O no hydrogen 2.909 N/A GLN 279.A NE2 SER 280.A O no hydrogen 2.915 N/A SER 280.A N PHE 352.A O no hydrogen 2.977 N/A SER 280.A OG THR 354.A OG1 no hydrogen 3.012 N/A PHE 281.A N LEU 272.A O no hydrogen 3.187 N/A ARG 282.A N GLU 349.A O no hydrogen 2.780 N/A ARG 282.A NE GLU 349.A OE1 no hydrogen 2.971 N/A ARG 282.A NH1 TYR 271.A OH no hydrogen 2.956 N/A ARG 282.A NH2 GLU 349.A OE1 no hydrogen 2.700 N/A ILE 283.A N LEU 270.A O no hydrogen 2.835 N/A THR 284.A N ALA 347.A O no hydrogen 2.773 N/A THR 284.A OG1 SER 269.A OG no hydrogen 2.574 N/A ILE 285.A N ILE 268.A O no hydrogen 2.738 N/A GLN 289.A N LEU 286.A O no hydrogen 3.206 N/A TYR 290.A OH PRO 266.A O no hydrogen 2.671 N/A LEU 291.A N PRO 287.A O no hydrogen 2.728 N/A ARG 292.A N LYS 299.A O no hydrogen 2.959 N/A CYS 297.A SG VAL 259.A O no hydrogen 3.196 N/A TYR 298.A N VAL 259.A O no hydrogen 3.211 N/A TYR 298.A OH ASP 296.A OD2 no hydrogen 3.230 N/A LYS 299.A N ARG 292.A O no hydrogen 2.586 N/A LYS 299.A NZ GLY 255.A O no hydrogen 2.810 N/A ALA 301.A N TYR 290.A O no hydrogen 2.678 N/A SER 303.A N LEU 225.A O no hydrogen 3.304 N/A SER 305.A OG GLY 308.A O no hydrogen 2.906 N/A THR 307.A N SER 305.A OG no hydrogen 2.924 N/A GLY 308.A N SER 305.A OG no hydrogen 3.059 N/A THR 309.A N LYS 215.A O no hydrogen 2.714 N/A THR 309.A OG1 TYR 211.A O no hydrogen 2.556 N/A VAL 310.A N ARG 226.A O no hydrogen 2.717 N/A MET 311.A N ILE 217.A O no hydrogen 2.827 N/A ALA 313.A N THR 222.A O no hydrogen 2.903 N/A VAL 314.A N THR 223.A O no hydrogen 3.054 N/A MET 316.A N GLY 312.A O no hydrogen 2.842 N/A GLU 317.A N ALA 313.A O no hydrogen 2.838 N/A GLY 318.A N ILE 315.A O no hydrogen 3.151 N/A PHE 319.A N MET 316.A O no hydrogen 3.136 N/A TYR 320.A N ALA 333.A O no hydrogen 2.792 N/A VAL 321.A N LEU 154.A O no hydrogen 3.028 N/A VAL 322.A N GLY 331.A O no hydrogen 2.828 N/A PHE 323.A N PHE 152.A O no hydrogen 2.777 N/A ASP 324.A N ARG 329.A O no hydrogen 2.859 N/A ARG 325.A N PHE 323.A O no hydrogen 2.944 N/A ARG 325.A NE ASN 150.A OD1 no hydrogen 2.968 N/A ARG 325.A NH1 ASP 140.A OD2 no hydrogen 3.143 N/A ARG 325.A NH2 TYR 190.A OH no hydrogen 2.937 N/A ALA 326.A N ASN 150.A O no hydrogen 2.945 N/A ARG 327.A N ASP 324.A O no hydrogen 3.287 N/A LYS 328.A N ARG 325.A O no hydrogen 3.090 N/A ARG 329.A N ASP 324.A O no hydrogen 3.065 N/A ARG 329.A NE ASP 324.A OD2 no hydrogen 2.962 N/A ARG 329.A NH1 GLU 275.A OE2 no hydrogen 2.669 N/A ARG 329.A NH2 ASP 324.A OD2 no hydrogen 3.402 N/A ILE 330.A N THR 182.A O no hydrogen 2.815 N/A GLY 331.A N VAL 322.A O no hydrogen 2.813 N/A PHE 332.A N TRP 180.A O no hydrogen 2.689 N/A ALA 333.A N TYR 320.A O no hydrogen 3.080 N/A SER 335.A N GLY 318.A O no hydrogen 3.346 N/A ALA 336.A N LEU 174.A O no hydrogen 2.907 N/A CYS 337.A N SER 335.A OG no hydrogen 3.094 N/A CYS 337.A SG SER 335.A OG no hydrogen 3.326 N/A ARG 344.A N ASP 341.A OD2 no hydrogen 3.143 N/A ARG 344.A NH1 PHE 265.A O no hydrogen 2.982 N/A ARG 344.A NH2 PHE 265.A O no hydrogen 2.606 N/A ALA 347.A N THR 284.A O no hydrogen 3.094 N/A GLU 349.A N ARG 282.A O no hydrogen 2.862 N/A PHE 352.A N SER 280.A O no hydrogen 2.974 N/A THR 354.A N ASN 278.A O no hydrogen 2.949 N/A THR 354.A OG1 SER 280.A OG no hydrogen 3.012 N/A CYS 360.A N MET 357.A O no hydrogen 3.371 N/A CYS 360.A SG ASP 356.A O no hydrogen 3.832 N/A GLY 361.A N GLU 358.A O no hydrogen 3.123 N/A