Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3buf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N ASP 173.A OD1 no hydrogen 3.314 N/A MET 7.A N PHE 4.A O no hydrogen 2.851 N/A VAL 8.A N PHE 4.A O no hydrogen 3.267 N/A ASP 9.A N SER 166.A OG no hydrogen 2.821 N/A ASN 10.A N MET 7.A O no hydrogen 3.371 N/A ASN 10.A ND2 HIS 94.A O no hydrogen 2.981 N/A ASN 10.A ND2 MET 167.A O no hydrogen 2.896 N/A LEU 11.A N GLY 165.A O no hydrogen 2.924 N/A ARG 12.A N TYR 20.A O no hydrogen 3.047 N/A ARG 12.A NH1 ASP 9.A OD2 no hydrogen 2.736 N/A ARG 12.A NH1 LEU 11.A O no hydrogen 2.979 N/A ARG 12.A NH2 ASP 9.A OD1 no hydrogen 2.937 N/A GLY 13.A N VAL 163.A O no hydrogen 3.137 N/A LYS 14.A NZ GLY 117.A O no hydrogen 3.456 N/A GLN 17.A N LYS 14.A O no hydrogen 2.826 N/A TYR 19.A OH CYS 160.A O no hydrogen 3.112 N/A TYR 19.A OH GLU 317.A OE1 no hydrogen 2.459 N/A TYR 20.A N ARG 12.A O no hydrogen 2.728 N/A VAL 21.A N ILE 34.A O no hydrogen 2.789 N/A MET 23.A N LEU 32.A O no hydrogen 2.722 N/A THR 24.A N SER 91.A O no hydrogen 3.020 N/A VAL 25.A N GLN 30.A O no hydrogen 3.011 N/A GLY 26.A N LEU 89.A O no hydrogen 2.818 N/A SER 27.A N SER 62.A OG no hydrogen 3.219 N/A SER 27.A OG THR 64.A OG1 no hydrogen 2.897 N/A GLN 30.A N VAL 25.A O no hydrogen 2.941 N/A GLN 30.A NE2 GLN 58.A O no hydrogen 2.856 N/A LEU 32.A N MET 23.A O no hydrogen 2.763 N/A ASN 33.A N GLU 121.A OE2 no hydrogen 3.072 N/A ASN 33.A ND2 ASN 119.A O no hydrogen 3.081 N/A ILE 34.A N VAL 21.A O no hydrogen 2.743 N/A LEU 35.A N GLY 122.A O no hydrogen 3.029 N/A VAL 36.A N TYR 19.A O no hydrogen 2.843 N/A ASP 37.A N LEU 124.A O no hydrogen 3.063 N/A THR 38.A N SER 222.A OG no hydrogen 3.046 N/A THR 38.A OG1 VAL 220.A O no hydrogen 2.967 N/A GLY 39.A N ASP 37.A OD1 no hydrogen 3.073 N/A SER 40.A OG ASP 37.A OD2 no hydrogen 2.489 N/A SER 41.A OG TYR 128.A O no hydrogen 2.626 N/A ASN 42.A ND2 ARG 133.A O no hydrogen 2.897 N/A ALA 44.A N ILE 123.A O no hydrogen 2.941 N/A VAL 45.A N ALA 105.A O no hydrogen 2.921 N/A GLY 46.A N GLU 121.A O no hydrogen 2.746 N/A ALA 47.A N ILE 107.A O no hydrogen 3.058 N/A HIS 50.A N ALA 48.A O no hydrogen 2.741 N/A PHE 52.A N HIS 50.A ND1 no hydrogen 3.160 N/A LEU 53.A N HIS 50.A O no hydrogen 3.055 N/A ARG 55.A NE GLU 121.A OE2 no hydrogen 2.689 N/A ARG 55.A NH2 ASN 119.A O no hydrogen 3.159 N/A ARG 55.A NH2 ASN 119.A OD1 no hydrogen 3.052 N/A TYR 57.A N GLY 46.A O no hydrogen 2.745 N/A TYR 57.A OH ASP 88.A OD2 no hydrogen 2.503 N/A GLN 58.A N GLN 30.A OE1 no hydrogen 2.811 N/A ARG 59.A NH1 TYR 65.A OH no hydrogen 3.484 N/A ARG 59.A NH1 GLU 84.A OE2 no hydrogen 2.579 N/A ARG 59.A NH2 GLU 84.A OE2 no hydrogen 3.145 N/A GLN 60.A N GLN 60.A OE1 no hydrogen 2.863 N/A GLN 60.A NE2 GLN 58.A OE1 no hydrogen 3.572 N/A LEU 61.A N GLN 58.A O no hydrogen 3.042 N/A SER 62.A N ARG 59.A O no hydrogen 3.011 N/A SER 62.A OG ASP 88.A OD1 no hydrogen 3.349 N/A SER 62.A OG ASP 88.A OD2 no hydrogen 2.616 N/A SER 63.A N SER 27.A O no hydrogen 2.976 N/A SER 63.A OG SER 27.A O no hydrogen 3.541 N/A THR 64.A OG1 SER 27.A OG no hydrogen 2.897 N/A THR 64.A OG1 ASP 88.A OD1 no hydrogen 2.807 N/A ARG 66.A N THR 87.A O no hydrogen 2.907 N/A LEU 68.A N LEU 85.A O no hydrogen 3.091 N/A ARG 69.A N ASP 67.A OD1 no hydrogen 2.752 N/A VAL 72.A N GLY 83.A O no hydrogen 2.946 N/A VAL 74.A N TRP 81.A O no hydrogen 2.763 N/A TYR 76.A N GLY 79.A O no hydrogen 2.810 N/A GLN 78.A N GLN 78.A OE1 no hydrogen 2.616 N/A LYS 80.A N ASP 111.A O no hydrogen 2.954 N/A LYS 80.A NZ GLU 109.A OE1 no hydrogen 2.574 N/A TRP 81.A N VAL 74.A O no hydrogen 2.939 N/A GLU 82.A N GLU 109.A O no hydrogen 2.696 N/A GLY 83.A N VAL 72.A O no hydrogen 2.973 N/A GLU 84.A N ALA 106.A O no hydrogen 2.847 N/A LEU 85.A N LYS 70.A O no hydrogen 2.878 N/A GLY 86.A N ILE 104.A O no hydrogen 3.090 N/A THR 87.A N ARG 66.A O no hydrogen 2.924 N/A ASP 88.A N ALA 102.A O no hydrogen 3.122 N/A LEU 89.A N ASP 88.A OD1 no hydrogen 2.707 N/A VAL 90.A N VAL 100.A O no hydrogen 2.692 N/A SER 91.A N THR 24.A O no hydrogen 2.979 N/A SER 91.A OG VAL 98.A O no hydrogen 2.987 N/A SER 91.A OG THR 99.A OG1 no hydrogen 2.795 N/A VAL 98.A N PRO 96.A O no hydrogen 2.807 N/A THR 99.A OG1 SER 91.A OG no hydrogen 2.795 N/A VAL 100.A N VAL 90.A O no hydrogen 2.961 N/A ARG 101.A N GLN 148.A OE1 no hydrogen 2.877 N/A ARG 101.A NH1 THR 64.A O no hydrogen 2.981 N/A ARG 101.A NH1 THR 87.A OG1 no hydrogen 2.971 N/A ARG 101.A NH2 THR 64.A O no hydrogen 2.779 N/A ALA 102.A N ASP 88.A O no hydrogen 2.978 N/A ASN 103.A ND2 GLU 139.A O no hydrogen 2.985 N/A ILE 104.A N GLY 86.A O no hydrogen 2.815 N/A ALA 105.A N PHE 43.A O no hydrogen 2.854 N/A ALA 106.A N GLU 84.A O no hydrogen 2.804 N/A ILE 107.A N VAL 45.A O no hydrogen 2.788 N/A THR 108.A N GLU 82.A O no hydrogen 2.881 N/A THR 108.A OG1 GLU 82.A O no hydrogen 3.516 N/A GLU 109.A N GLU 82.A O no hydrogen 3.152 N/A ASP 111.A N LYS 80.A O no hydrogen 2.862 N/A SER 118.A N ILE 115.A O no hydrogen 3.264 N/A SER 118.A OG ILE 115.A O no hydrogen 3.315 N/A ASN 119.A ND2 TYR 20.A OH no hydrogen 3.143 N/A TRP 120.A NE1 GLN 17.A O no hydrogen 2.943 N/A GLU 121.A N ASN 33.A O no hydrogen 2.909 N/A ILE 123.A N ALA 44.A O no hydrogen 2.683 N/A LEU 124.A N LEU 35.A O no hydrogen 2.723 N/A GLY 125.A N ASN 42.A O no hydrogen 2.895 N/A LEU 126.A N ASP 37.A O no hydrogen 2.884 N/A ALA 127.A N SER 40.A O no hydrogen 2.907 N/A TYR 128.A N TRP 190.A O no hydrogen 3.011 N/A ILE 131.A N TYR 128.A O no hydrogen 3.303 N/A ALA 132.A N ALA 129.A O no hydrogen 2.858 N/A ARG 133.A N ASN 42.A OD1 no hydrogen 2.868 N/A SER 137.A N ASP 135.A OD2 no hydrogen 2.896 N/A SER 137.A OG ASP 135.A OD2 no hydrogen 2.475 N/A LEU 138.A N ASP 135.A O no hydrogen 3.109 N/A SER 144.A N PRO 140.A O no hydrogen 3.198 N/A SER 144.A OG GLU 139.A OE2 no hydrogen 2.644 N/A LEU 145.A N PHE 141.A O no hydrogen 2.924 N/A VAL 146.A N PHE 142.A O no hydrogen 3.004 N/A LYS 147.A N ASP 143.A O no hydrogen 2.859 N/A GLN 148.A N SER 144.A O no hydrogen 3.042 N/A GLN 148.A NE2 ARG 101.A O no hydrogen 2.780 N/A THR 149.A N LEU 145.A O no hydrogen 3.128 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.679 N/A VAL 151.A N THR 149.A OG1 no hydrogen 3.317 N/A LEU 154.A N PRO 152.A O no hydrogen 2.888 N/A PHE 155.A N PHE 323.A O no hydrogen 3.247 N/A SER 156.A N ILE 168.A O no hydrogen 2.925 N/A SER 156.A OG GLY 171.A O no hydrogen 2.906 N/A SER 156.A OG TYR 320.A OH no hydrogen 2.555 N/A LEU 157.A N VAL 321.A O no hydrogen 2.772 N/A GLN 158.A N SER 166.A O no hydrogen 2.844 N/A GLN 158.A NE2 LEU 176.A O no hydrogen 3.103 N/A CYS 160.A N GLY 164.A O no hydrogen 2.918 N/A CYS 160.A SG GLN 158.A OE1 no hydrogen 3.533 N/A VAL 163.A N GLY 13.A O no hydrogen 3.306 N/A GLY 164.A N CYS 160.A O no hydrogen 3.329 N/A GLY 165.A N LEU 11.A O no hydrogen 3.215 N/A SER 166.A N GLN 158.A O no hydrogen 2.810 N/A MET 167.A N ASN 10.A OD1 no hydrogen 2.718 N/A ILE 168.A N SER 156.A O no hydrogen 2.955 N/A GLY 170.A N LEU 154.A O no hydrogen 2.786 N/A ASP 173.A N TYR 320.A OH no hydrogen 2.894 N/A HIS 174.A N GLY 2.A O no hydrogen 3.300 N/A HIS 174.A ND1 TYR 177.A OH no hydrogen 2.695 N/A SER 175.A N ASP 173.A OD2 no hydrogen 3.128 N/A SER 175.A OG ASP 173.A OD2 no hydrogen 2.733 N/A LEU 176.A N ASP 173.A O no hydrogen 3.052 N/A TYR 177.A OH HIS 174.A ND1 no hydrogen 2.695 N/A THR 178.A N VAL 334.A O no hydrogen 3.049 N/A SER 180.A OG LEU 181.A O no hydrogen 3.209 N/A TRP 182.A N PHE 332.A O no hydrogen 2.889 N/A THR 184.A N ILE 330.A O no hydrogen 2.890 N/A THR 184.A OG1 MET 274.A O no hydrogen 2.665 N/A ILE 186.A N LYS 328.A O no hydrogen 2.829 N/A ARG 187.A N GLU 193.A O no hydrogen 2.749 N/A ARG 187.A NH1 GLU 193.A OE2 no hydrogen 3.148 N/A ARG 187.A NH1 TYR 357.A O no hydrogen 2.801 N/A ARG 187.A NH2 TYR 357.A O no hydrogen 3.273 N/A TRP 190.A N ARG 188.A O no hydrogen 3.187 N/A TRP 190.A N TYR 191.A O no hydrogen 3.272 N/A TRP 190.A NE1 GLU 193.A OE1 no hydrogen 2.886 N/A TYR 192.A OH LEU 126.A O no hydrogen 2.701 N/A GLU 193.A N TYR 191.A O no hydrogen 2.908 N/A VAL 194.A N SER 218.A O no hydrogen 2.907 N/A ILE 196.A N ASN 214.A OD1 no hydrogen 2.797 N/A VAL 197.A N TYR 272.A O no hydrogen 2.794 N/A ARG 198.A NE GLU 200.A OE2 no hydrogen 2.949 N/A ARG 198.A NH2 GLU 200.A OE2 no hydrogen 2.706 N/A GLU 200.A N SER 270.A O no hydrogen 2.936 N/A ILE 201.A N GLN 204.A O no hydrogen 2.892 N/A ASN 202.A N VAL 268.A O no hydrogen 2.855 N/A GLN 204.A N ILE 201.A O no hydrogen 2.958 N/A LEU 206.A N VAL 199.A O no hydrogen 3.080 N/A LYS 207.A N ASP 205.A OD1 no hydrogen 2.981 N/A LYS 211.A N ASP 209.A OD1 no hydrogen 3.337 N/A LYS 211.A NZ ASP 354.A O no hydrogen 2.906 N/A GLU 212.A N ASP 209.A O no hydrogen 2.908 N/A TYR 213.A N CYS 210.A O no hydrogen 2.982 N/A ASN 214.A N LYS 211.A O no hydrogen 3.265 N/A ASN 214.A ND2 ILE 196.A O no hydrogen 2.805 N/A ASN 214.A ND2 CYS 355.A O no hydrogen 2.863 N/A TYR 215.A N GLU 212.A O no hydrogen 3.245 N/A LYS 217.A NZ THR 307.A O no hydrogen 2.865 N/A SER 218.A OG ASN 214.A OD1 no hydrogen 2.742 N/A ILE 219.A N THR 309.A O no hydrogen 2.922 N/A VAL 220.A N TYR 192.A O no hydrogen 3.115 N/A ASP 221.A N MET 311.A O no hydrogen 3.183 N/A SER 222.A N THR 38.A OG1 no hydrogen 2.888 N/A SER 222.A OG VAL 36.A O no hydrogen 2.915 N/A GLY 223.A N ASP 221.A OD1 no hydrogen 2.825 N/A THR 224.A N ASP 221.A O no hydrogen 3.362 N/A THR 224.A OG1 ASP 221.A OD2 no hydrogen 2.681 N/A THR 225.A OG1 GLY 16.A O no hydrogen 3.451 N/A LEU 227.A N ALA 301.A O no hydrogen 2.966 N/A ARG 228.A N VAL 310.A O no hydrogen 2.896 N/A LEU 229.A N SER 303.A O no hydrogen 2.880 N/A LYS 231.A NZ GLN 304.A OE1 no hydrogen 3.332 N/A PHE 234.A N PRO 230.A O no hydrogen 2.726 N/A GLU 235.A N LYS 231.A O no hydrogen 2.892 N/A ALA 236.A N LYS 232.A O no hydrogen 3.145 N/A ALA 237.A N VAL 233.A O no hydrogen 2.748 N/A VAL 238.A N PHE 234.A O no hydrogen 2.818 N/A ALA 239.A N GLU 235.A O no hydrogen 3.114 N/A SER 240.A N ALA 236.A O no hydrogen 3.021 N/A SER 240.A N ALA 237.A O no hydrogen 3.143 N/A ILE 241.A N ALA 237.A O no hydrogen 2.881 N/A LYS 242.A N VAL 238.A O no hydrogen 2.683 N/A ALA 243.A N ALA 239.A O no hydrogen 3.227 N/A ALA 244.A N SER 240.A O no hydrogen 3.018 N/A ALA 244.A N ILE 241.A O no hydrogen 3.103 N/A SER 245.A N LYS 242.A O no hydrogen 3.273 N/A SER 245.A OG ILE 241.A O no hydrogen 2.566 N/A LEU 253.A N GLY 250.A O no hydrogen 3.245 N/A GLY 254.A N PHE 251.A O no hydrogen 3.221 N/A GLU 255.A N GLY 250.A O no hydrogen 2.816 N/A VAL 258.A N TYR 298.A O no hydrogen 3.322 N/A TRP 260.A N ASP 296.A O no hydrogen 2.943 N/A GLN 261.A NE2 ALA 262.A O no hydrogen 3.062 N/A PHE 266.A N TRP 263.A O no hydrogen 2.986 N/A ILE 269.A N ILE 286.A O no hydrogen 3.121 N/A SER 270.A N GLU 200.A O no hydrogen 2.943 N/A SER 270.A OG THR 285.A OG1 no hydrogen 2.923 N/A LEU 271.A N ILE 284.A O no hydrogen 2.881 N/A TYR 272.A N ARG 198.A O no hydrogen 2.811 N/A TYR 272.A OH GLU 200.A OE1 no hydrogen 3.173 N/A TYR 272.A OH GLU 200.A OE2 no hydrogen 2.877 N/A LEU 273.A N PHE 282.A O no hydrogen 2.813 N/A MET 274.A N ILE 195.A O no hydrogen 3.044 N/A GLY 275.A N GLN 280.A O no hydrogen 2.826 N/A VAL 277.A N GLN 280.A OE1 no hydrogen 3.020 N/A GLN 280.A N VAL 277.A O no hydrogen 2.811 N/A GLN 280.A NE2 SER 281.A O no hydrogen 3.227 N/A SER 281.A N PHE 347.A O no hydrogen 2.831 N/A SER 281.A OG PHE 347.A O no hydrogen 3.532 N/A SER 281.A OG THR 349.A OG1 no hydrogen 2.703 N/A PHE 282.A N LEU 273.A O no hydrogen 3.126 N/A ARG 283.A N GLU 344.A O no hydrogen 2.771 N/A ARG 283.A NE GLU 344.A OE2 no hydrogen 3.102 N/A ARG 283.A NH1 TYR 272.A OH no hydrogen 2.981 N/A ARG 283.A NH2 GLU 344.A OE2 no hydrogen 2.840 N/A ILE 284.A N LEU 271.A O no hydrogen 2.824 N/A THR 285.A N ALA 342.A O no hydrogen 2.781 N/A THR 285.A OG1 SER 270.A OG no hydrogen 2.923 N/A ILE 286.A N ILE 269.A O no hydrogen 2.883 N/A LEU 287.A N GLN 290.A OE1 no hydrogen 3.240 N/A GLN 289.A N GLN 289.A OE1 no hydrogen 2.764 N/A GLN 290.A N LEU 287.A O no hydrogen 2.885 N/A TYR 291.A OH PRO 267.A O no hydrogen 2.543 N/A LEU 292.A N PRO 288.A O no hydrogen 2.955 N/A ARG 293.A N LYS 299.A O no hydrogen 3.407 N/A ARG 293.A NH1 SER 15.A OG no hydrogen 3.419 N/A VAL 295.A N CYS 297.A O no hydrogen 2.823 N/A TYR 298.A N VAL 258.A O no hydrogen 3.016 N/A LYS 299.A N ARG 293.A O no hydrogen 2.851 N/A ALA 301.A N TYR 291.A O no hydrogen 2.730 N/A SER 303.A N LEU 227.A O no hydrogen 3.072 N/A SER 305.A OG THR 307.A OG1 no hydrogen 3.251 N/A SER 305.A OG GLY 308.A O no hydrogen 2.698 N/A THR 307.A N SER 305.A OG no hydrogen 2.906 N/A THR 307.A OG1 SER 305.A OG no hydrogen 3.251 N/A THR 309.A N LYS 217.A O no hydrogen 2.750 N/A THR 309.A OG1 TYR 213.A O no hydrogen 2.577 N/A VAL 310.A N ARG 228.A O no hydrogen 2.760 N/A MET 311.A N ILE 219.A O no hydrogen 2.815 N/A ALA 313.A N THR 224.A O no hydrogen 2.786 N/A VAL 314.A N THR 225.A O no hydrogen 2.937 N/A MET 316.A N GLY 312.A O no hydrogen 2.979 N/A GLU 317.A N ALA 313.A O no hydrogen 2.797 N/A GLY 318.A N ILE 315.A O no hydrogen 3.145 N/A PHE 319.A N MET 316.A O no hydrogen 2.953 N/A TYR 320.A N ALA 333.A O no hydrogen 2.759 N/A VAL 321.A N LEU 157.A O no hydrogen 2.996 N/A VAL 322.A N GLY 331.A O no hydrogen 2.835 N/A PHE 323.A N PHE 155.A O no hydrogen 2.706 N/A ASP 324.A N ARG 329.A O no hydrogen 2.929 N/A ARG 325.A N PHE 323.A O no hydrogen 2.993 N/A ARG 325.A NE ASN 153.A OD1 no hydrogen 2.988 N/A ARG 325.A NH1 TYR 192.A OH no hydrogen 2.892 N/A ARG 325.A NH2 ASP 143.A OD2 no hydrogen 3.433 N/A ALA 326.A N ASN 153.A O no hydrogen 2.978 N/A ARG 327.A N ASP 324.A OD1 no hydrogen 3.309 N/A ARG 327.A NE ASP 324.A OD2 no hydrogen 2.958 N/A ARG 327.A NH2 ASP 324.A OD2 no hydrogen 3.189 N/A LYS 328.A N ARG 325.A O no hydrogen 3.277 N/A ARG 329.A N ASP 324.A O no hydrogen 3.070 N/A ARG 329.A NE ASP 324.A OD2 no hydrogen 2.935 N/A ARG 329.A NH1 GLU 276.A OE2 no hydrogen 2.660 N/A ARG 329.A NH2 ASP 324.A OD2 no hydrogen 3.369 N/A ILE 330.A N THR 184.A O no hydrogen 2.804 N/A GLY 331.A N VAL 322.A O no hydrogen 2.830 N/A PHE 332.A N TRP 182.A O no hydrogen 2.762 N/A ALA 333.A N TYR 320.A O no hydrogen 3.066 N/A SER 335.A N GLY 318.A O no hydrogen 3.303 N/A ALA 336.A N LEU 176.A O no hydrogen 3.030 N/A CYS 337.A N SER 335.A OG no hydrogen 3.173 N/A CYS 337.A SG SER 335.A OG no hydrogen 3.234 N/A HIS 338.A ND1 SER 335.A O no hydrogen 3.147 N/A ARG 339.A NH1 PHE 266.A O no hydrogen 2.889 N/A ARG 339.A NH2 TRP 263.A O no hydrogen 3.057 N/A ARG 339.A NH2 PHE 266.A O no hydrogen 3.295 N/A ALA 341.A N HIS 338.A NE2 no hydrogen 3.229 N/A ALA 342.A N THR 285.A O no hydrogen 3.321 N/A GLU 344.A N ARG 283.A O no hydrogen 2.861 N/A PHE 347.A N SER 281.A O no hydrogen 2.853 N/A THR 349.A N ASN 279.A O no hydrogen 2.916 N/A THR 349.A OG1 SER 281.A OG no hydrogen 2.703 N/A ASP 354.A N ASP 351.A O no hydrogen 3.136 N/A CYS 355.A N MET 352.A O no hydrogen 3.157 N/A CYS 355.A SG ASP 351.A O no hydrogen 3.850 N/A GLY 356.A N GLU 353.A O no hydrogen 3.210 N/A