Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xti_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD2 no hydrogen 3.444 N/A ASP 4.A N GLY 1.A O no hydrogen 3.384 N/A PHE 5.A N PHE 2.A O no hydrogen 3.190 N/A LEU 6.A N ARG 3.A O no hydrogen 3.104 N/A LEU 11.A N LYS 8.A O no hydrogen 2.862 N/A LEU 12.A N LYS 8.A O no hydrogen 2.937 N/A ARG 13.A N PRO 9.A O no hydrogen 2.875 N/A ALA 14.A N GLU 10.A O no hydrogen 3.317 N/A ILE 15.A N LEU 11.A O no hydrogen 3.062 N/A VAL 16.A N LEU 12.A O no hydrogen 3.026 N/A ASP 17.A N ARG 13.A O no hydrogen 3.195 N/A CYS 18.A N ALA 14.A O no hydrogen 3.076 N/A CYS 18.A N ILE 15.A O no hydrogen 3.261 N/A CYS 18.A SG ALA 14.A O no hydrogen 3.213 N/A SER 24.A OG MET 48.A O no hydrogen 2.730 N/A GLN 27.A N SER 24.A O no hydrogen 3.155 N/A HIS 28.A N SER 24.A O no hydrogen 3.155 N/A GLU 29.A N GLU 25.A O no hydrogen 2.956 N/A CYS 30.A N VAL 26.A O no hydrogen 2.990 N/A CYS 30.A SG VAL 26.A O no hydrogen 3.416 N/A ILE 31.A N GLN 27.A O no hydrogen 3.048 N/A ALA 34.A N CYS 30.A O no hydrogen 2.935 N/A ILE 35.A N ILE 31.A O no hydrogen 2.998 N/A LEU 36.A N GLN 33.A O no hydrogen 3.262 N/A GLY 37.A N ALA 34.A O no hydrogen 3.185 N/A MET 38.A N GLN 33.A O no hydrogen 3.192 N/A VAL 40.A N VAL 179.A O no hydrogen 3.041 N/A LEU 41.A N MET 202.A O no hydrogen 2.994 N/A CYS 42.A N MET 181.A O no hydrogen 2.760 N/A CYS 42.A SG ILE 204.A O no hydrogen 3.890 N/A GLN 43.A N ILE 204.A O no hydrogen 2.967 N/A ALA 44.A N SER 183.A O no hydrogen 3.079 N/A MET 48.A N SER 46.A OG no hydrogen 3.011 N/A LYS 50.A N GLY 47.A O no hydrogen 3.368 N/A LYS 50.A NZ ASP 151.A OD2 no hydrogen 2.818 N/A THR 51.A OG1 GLU 87.A OE1 no hydrogen 3.229 N/A THR 51.A OG1 GLU 87.A OE2 no hydrogen 2.403 N/A VAL 53.A N LYS 50.A O no hydrogen 2.957 N/A VAL 55.A N THR 51.A O no hydrogen 3.035 N/A LEU 56.A N ALA 52.A O no hydrogen 2.926 N/A ALA 57.A N VAL 53.A O no hydrogen 3.109 N/A THR 58.A N PHE 54.A O no hydrogen 2.981 N/A THR 58.A OG1 PHE 54.A O no hydrogen 2.651 N/A THR 58.A OG1 VAL 55.A O no hydrogen 3.182 N/A THR 58.A OG1 TYR 88.A OH no hydrogen 2.804 N/A LEU 59.A N VAL 55.A O no hydrogen 3.084 N/A GLN 60.A N LEU 56.A O no hydrogen 2.836 N/A GLN 61.A N ALA 57.A O no hydrogen 3.292 N/A GLN 61.A NE2 ALA 57.A O no hydrogen 2.942 N/A LEU 62.A N LEU 59.A O no hydrogen 3.223 N/A GLN 68.A N VAL 65.A O no hydrogen 2.926 N/A SER 70.A N HIS 122.A O no hydrogen 2.752 N/A VAL 71.A N HIS 122.A O no hydrogen 3.135 N/A LEU 72.A N HIS 147.A O no hydrogen 2.966 N/A VAL 73.A N VAL 124.A O no hydrogen 2.858 N/A MET 74.A N ILE 149.A O no hydrogen 2.879 N/A CYS 75.A N GLY 126.A O no hydrogen 3.257 N/A CYS 75.A SG THR 77.A O no hydrogen 3.401 N/A THR 77.A N GLU 152.A OE2 no hydrogen 2.604 N/A THR 77.A OG1 GLU 152.A OE1 no hydrogen 2.667 N/A THR 77.A OG1 GLU 152.A OE2 no hydrogen 3.319 N/A ARG 78.A NH1 GLY 105.A O no hydrogen 2.989 N/A ALA 81.A N THR 77.A O no hydrogen 3.037 N/A PHE 82.A N ARG 78.A O no hydrogen 3.056 N/A GLN 83.A N GLU 79.A O no hydrogen 2.969 N/A ILE 84.A N LEU 80.A O no hydrogen 2.831 N/A SER 85.A N ALA 81.A O no hydrogen 3.042 N/A SER 85.A OG PHE 82.A O no hydrogen 2.580 N/A LYS 86.A N PHE 82.A O no hydrogen 3.164 N/A GLU 87.A N GLN 83.A O no hydrogen 2.994 N/A GLU 87.A N ILE 84.A O no hydrogen 3.067 N/A TYR 88.A N ILE 84.A O no hydrogen 3.045 N/A TYR 88.A OH THR 58.A OG1 no hydrogen 2.804 N/A GLU 89.A N SER 85.A O no hydrogen 3.060 N/A ARG 90.A N LYS 86.A O no hydrogen 3.015 N/A PHE 91.A N GLU 87.A O no hydrogen 3.030 N/A SER 92.A N TYR 88.A O no hydrogen 2.959 N/A SER 92.A N GLU 89.A O no hydrogen 3.238 N/A SER 92.A OG TYR 88.A O no hydrogen 2.814 N/A SER 92.A OG GLU 89.A O no hydrogen 3.397 N/A LYS 93.A NZ ASP 17.A OD2 no hydrogen 2.912 N/A TYR 94.A OH ASP 17.A OD2 no hydrogen 2.525 N/A MET 95.A N SER 92.A O no hydrogen 2.851 N/A VAL 98.A N MET 95.A O no hydrogen 2.870 N/A LYS 99.A NZ ASN 119.A OD1 no hydrogen 2.518 N/A ALA 101.A N ILE 123.A O no hydrogen 3.152 N/A PHE 103.A N VAL 125.A O no hydrogen 2.756 N/A LYS 110.A N SER 108.A OG no hydrogen 3.231 N/A LYS 111.A N SER 108.A O no hydrogen 3.118 N/A GLU 113.A N ILE 109.A O no hydrogen 2.896 N/A GLU 114.A N LYS 110.A O no hydrogen 2.940 N/A VAL 115.A N LYS 111.A O no hydrogen 3.163 N/A LEU 116.A N ASP 112.A O no hydrogen 2.944 N/A LYS 117.A N GLU 113.A O no hydrogen 2.995 N/A LYS 117.A NZ GLU 114.A OE2 no hydrogen 3.208 N/A LYS 118.A N GLU 114.A O no hydrogen 2.956 N/A ASN 119.A N VAL 115.A O no hydrogen 2.790 N/A CYS 120.A SG GLY 67.A O no hydrogen 3.791 N/A CYS 120.A SG PRO 121.A O no hydrogen 3.568 N/A HIS 122.A N LYS 99.A O no hydrogen 2.937 N/A HIS 122.A NE2 ASN 97.A O no hydrogen 3.116 N/A ILE 123.A N LYS 99.A O no hydrogen 3.084 N/A VAL 124.A N VAL 71.A O no hydrogen 2.861 N/A VAL 125.A N ALA 101.A O no hydrogen 2.955 N/A GLY 126.A N VAL 73.A O no hydrogen 3.020 N/A THR 127.A N PHE 103.A O no hydrogen 3.249 N/A ARG 130.A NH1 LEU 107.A O no hydrogen 2.838 N/A ARG 130.A NH1 ASP 112.A OD2 no hydrogen 2.663 N/A ARG 130.A NH2 LEU 107.A O no hydrogen 2.899 N/A ILE 131.A N THR 127.A O no hydrogen 3.128 N/A LEU 132.A N PRO 128.A O no hydrogen 2.838 N/A ALA 133.A N GLY 129.A O no hydrogen 3.200 N/A LEU 134.A N ARG 130.A O no hydrogen 3.027 N/A ALA 135.A N ILE 131.A O no hydrogen 3.039 N/A ARG 136.A N LEU 132.A O no hydrogen 2.866 N/A ARG 136.A NE GLU 168.A OE2 no hydrogen 3.044 N/A ARG 136.A NH2 GLU 168.A OE1 no hydrogen 3.046 N/A ARG 136.A NH2 GLU 168.A OE2 no hydrogen 3.456 N/A ASN 137.A N ALA 133.A O no hydrogen 2.938 N/A LYS 138.A N ALA 135.A O no hydrogen 3.025 N/A SER 139.A OG GLU 113.A OE2 no hydrogen 3.432 N/A LEU 140.A N LEU 134.A O no hydrogen 2.955 N/A LYS 143.A N ASN 141.A OD1 no hydrogen 2.973 N/A ILE 145.A N LEU 142.A O no hydrogen 3.518 N/A LYS 146.A N SER 70.A O no hydrogen 2.748 N/A HIS 147.A N SER 70.A O no hydrogen 3.221 N/A PHE 148.A N GLN 178.A O no hydrogen 2.863 N/A ILE 149.A N LEU 72.A O no hydrogen 2.794 N/A LEU 150.A N MET 180.A O no hydrogen 2.925 N/A ASP 151.A N MET 74.A O no hydrogen 3.018 N/A GLU 152.A N ASP 151.A OD2 no hydrogen 2.900 N/A CYS 153.A N PHE 182.A O no hydrogen 3.069 N/A CYS 153.A SG LEU 150.A O no hydrogen 3.543 N/A CYS 153.A SG PHE 182.A O no hydrogen 3.317 N/A ASP 154.A N SER 183.A OG no hydrogen 3.111 N/A LYS 155.A N ASP 154.A OD1 no hydrogen 2.453 N/A MET 156.A N GLU 152.A O no hydrogen 2.901 N/A LEU 157.A N CYS 153.A O no hydrogen 2.725 N/A GLU 158.A N LYS 155.A O no hydrogen 3.439 N/A ARG 163.A N GLN 159.A O no hydrogen 2.919 N/A ARG 164.A N LEU 160.A O no hydrogen 2.706 N/A ASP 165.A N ASP 161.A O no hydrogen 3.216 N/A VAL 166.A N MET 162.A O no hydrogen 3.059 N/A GLN 167.A N ARG 163.A O no hydrogen 3.062 N/A GLU 168.A N ARG 164.A O no hydrogen 2.914 N/A ILE 169.A N ASP 165.A O no hydrogen 2.953 N/A PHE 170.A N VAL 166.A O no hydrogen 2.860 N/A ARG 171.A N GLN 167.A O no hydrogen 3.054 N/A MET 172.A N ILE 169.A O no hydrogen 3.068 N/A THR 173.A N PHE 170.A O no hydrogen 3.099 N/A THR 173.A OG1 PHE 170.A O no hydrogen 2.617 N/A LYS 177.A NZ THR 173.A OG1 no hydrogen 2.675 N/A LYS 177.A NZ PRO 174.A O no hydrogen 2.937 N/A GLN 178.A N LYS 146.A O no hydrogen 2.906 N/A VAL 179.A N ASP 39.A OD1 no hydrogen 2.999 N/A MET 180.A N PHE 148.A O no hydrogen 3.093 N/A MET 181.A N VAL 40.A O no hydrogen 2.782 N/A PHE 182.A N LEU 150.A O no hydrogen 2.841 N/A SER 183.A N CYS 42.A O no hydrogen 3.018 N/A SER 183.A OG THR 185.A O no hydrogen 2.567 N/A THR 185.A N ASP 154.A OD2 no hydrogen 3.087 N/A THR 185.A OG1 ASP 154.A OD2 no hydrogen 2.814 N/A ARG 191.A NH1 GLU 203.A OE1 no hydrogen 2.932 N/A ARG 191.A NH2 GLU 203.A OE1 no hydrogen 3.475 N/A CYS 194.A N ILE 190.A O no hydrogen 2.874 N/A CYS 194.A SG ILE 190.A O no hydrogen 2.818 N/A ARG 195.A N ARG 191.A O no hydrogen 2.904 N/A LYS 196.A N PRO 192.A O no hydrogen 3.239 N/A LYS 196.A N VAL 193.A O no hydrogen 3.056 N/A PHE 197.A N VAL 193.A O no hydrogen 2.914 N/A MET 198.A N CYS 194.A O no hydrogen 2.659 N/A ASP 200.A N GLN 199.A OE1 no hydrogen 3.235 N/A MET 202.A N ASP 39.A O no hydrogen 2.873 N/A ILE 204.A N LEU 41.A O no hydrogen 2.866 N/A VAL 206.A N GLN 43.A O no hydrogen 3.006 N/A LEU 217.A N LEU 214.A O no hydrogen 3.036 N/A GLN 218.A N GLY 340.A O no hydrogen 2.852 N/A GLN 219.A NE2 TYR 326.A OH no hydrogen 2.885 N/A TYR 220.A N ALA 342.A O no hydrogen 2.868 N/A TYR 221.A N SER 367.A O no hydrogen 2.969 N/A VAL 222.A N THR 344.A O no hydrogen 2.734 N/A LEU 224.A N VAL 346.A O no hydrogen 2.858 N/A LYS 225.A N GLU 228.A OE2 no hydrogen 2.838 N/A GLU 228.A N LYS 225.A O no hydrogen 3.132 N/A LYS 229.A N ASP 226.A O no hydrogen 3.125 N/A LYS 229.A NZ ASP 226.A OD1 no hydrogen 3.235 N/A LYS 229.A NZ TYR 317.A O no hydrogen 2.807 N/A LYS 229.A NZ ASP 318.A OD2 no hydrogen 3.237 N/A LYS 232.A N GLU 228.A O no hydrogen 3.232 N/A LEU 233.A N LYS 229.A O no hydrogen 2.770 N/A PHE 234.A N ASN 230.A O no hydrogen 2.904 N/A ASP 235.A N ARG 231.A O no hydrogen 2.869 N/A LEU 236.A N LYS 232.A O no hydrogen 2.946 N/A LEU 237.A N LEU 233.A O no hydrogen 2.877 N/A ASP 238.A N PHE 234.A O no hydrogen 2.990 N/A VAL 239.A N ASP 235.A O no hydrogen 3.130 N/A VAL 239.A N LEU 236.A O no hydrogen 3.256 N/A LEU 240.A N LEU 236.A O no hydrogen 2.827 N/A GLN 244.A N ARG 310.A O no hydrogen 2.911 N/A GLN 244.A NE2 PHE 288.A O no hydrogen 3.055 N/A GLN 244.A NE2 ARG 293.A O no hydrogen 2.741 N/A VAL 245.A N ARG 294.A O no hydrogen 2.746 N/A VAL 246.A N ILE 313.A O no hydrogen 2.950 N/A ILE 247.A N LEU 296.A O no hydrogen 2.691 N/A PHE 248.A N PHE 315.A O no hydrogen 2.801 N/A VAL 249.A N ALA 298.A O no hydrogen 2.974 N/A LYS 250.A N ASP 318.A OD1 no hydrogen 2.795 N/A ARG 254.A N SER 251.A OG no hydrogen 3.176 N/A ARG 254.A NE ASP 318.A OD1 no hydrogen 3.218 N/A ARG 254.A NH1 ASP 226.A OD2 no hydrogen 3.093 N/A ARG 254.A NH2 ASP 226.A OD1 no hydrogen 3.293 N/A ARG 254.A NH2 ASP 226.A OD2 no hydrogen 3.375 N/A ARG 254.A NH2 ASP 318.A OD1 no hydrogen 3.561 N/A ARG 254.A NH2 ASP 318.A OD2 no hydrogen 2.700 N/A CYS 255.A N SER 251.A O no hydrogen 2.920 N/A CYS 255.A SG VAL 297.A O no hydrogen 3.210 N/A ILE 256.A N VAL 252.A O no hydrogen 2.841 N/A ALA 257.A N GLN 253.A O no hydrogen 3.106 N/A LEU 258.A N ARG 254.A O no hydrogen 2.849 N/A ALA 259.A N CYS 255.A O no hydrogen 3.068 N/A GLN 260.A N ILE 256.A O no hydrogen 2.979 N/A LEU 261.A N ALA 257.A O no hydrogen 2.906 N/A LEU 262.A N LEU 258.A O no hydrogen 2.956 N/A VAL 263.A N ALA 259.A O no hydrogen 2.983 N/A GLU 264.A N GLN 260.A O no hydrogen 2.859 N/A GLN 265.A N LEU 261.A O no hydrogen 2.919 N/A ASN 266.A N VAL 263.A O no hydrogen 3.130 N/A PHE 267.A N LEU 262.A O no hydrogen 2.849 N/A ILE 270.A N ILE 295.A O no hydrogen 2.860 N/A ILE 272.A N VAL 297.A O no hydrogen 3.057 N/A ARG 274.A N THR 299.A OG1 no hydrogen 3.209 N/A GLY 275.A N HIS 273.A ND1 no hydrogen 3.028 N/A GLU 280.A N PRO 277.A O no hydrogen 2.584 N/A ARG 281.A N PRO 277.A O no hydrogen 2.935 N/A ARG 281.A NH2 LEU 301.A O no hydrogen 3.481 N/A LEU 282.A N GLN 278.A O no hydrogen 2.799 N/A SER 283.A N GLU 279.A O no hydrogen 3.047 N/A ARG 284.A N GLU 280.A O no hydrogen 2.936 N/A ARG 284.A NE GLU 280.A OE2 no hydrogen 3.103 N/A ARG 284.A NH1 ALA 271.A O no hydrogen 2.800 N/A TYR 285.A N ARG 281.A O no hydrogen 3.051 N/A TYR 285.A OH ASP 307.A OD1 no hydrogen 2.574 N/A GLN 286.A N LEU 282.A O no hydrogen 3.049 N/A GLN 287.A N SER 283.A O no hydrogen 3.058 N/A GLN 287.A NE2 SER 283.A O no hydrogen 3.115 N/A PHE 288.A N ARG 284.A O no hydrogen 2.984 N/A LYS 289.A N TYR 285.A O no hydrogen 3.134 N/A LYS 289.A NZ ASP 307.A OD2 no hydrogen 3.049 N/A ASP 290.A N GLN 286.A O no hydrogen 2.981 N/A PHE 291.A N PHE 288.A O no hydrogen 2.740 N/A GLN 292.A N GLN 287.A O no hydrogen 3.255 N/A GLN 292.A NE2 GLN 287.A OE1 no hydrogen 3.053 N/A ARG 293.A NH1 ALA 269.A O no hydrogen 2.693 N/A ARG 294.A NH1 ASN 243.A O no hydrogen 2.664 N/A LEU 296.A N VAL 245.A O no hydrogen 2.940 N/A VAL 297.A N ILE 270.A O no hydrogen 2.788 N/A ALA 298.A N ILE 247.A O no hydrogen 2.753 N/A THR 299.A N ILE 272.A O no hydrogen 3.396 N/A MET 306.A N ALA 331.A O no hydrogen 2.697 N/A VAL 311.A N ILE 308.A O no hydrogen 3.152 N/A ASN 312.A N GLN 244.A O no hydrogen 2.872 N/A ASN 312.A ND2 ASN 243.A OD1 no hydrogen 2.617 N/A ALA 314.A N LEU 341.A O no hydrogen 2.854 N/A PHE 315.A N VAL 246.A O no hydrogen 2.789 N/A ASN 316.A N ILE 343.A O no hydrogen 2.879 N/A ASN 316.A ND2 THR 344.A OG1 no hydrogen 3.022 N/A TYR 317.A OH ASN 230.A OD1 no hydrogen 2.566 N/A ASP 318.A N PHE 248.A O no hydrogen 3.254 N/A ASP 322.A N THR 325.A OG1 no hydrogen 3.282 N/A THR 325.A N ASP 322.A OD1 no hydrogen 2.600 N/A THR 325.A OG1 ASP 322.A O no hydrogen 2.702 N/A THR 325.A OG1 ASP 322.A OD1 no hydrogen 3.193 N/A TYR 326.A N ASP 322.A O no hydrogen 3.382 N/A LEU 327.A N SER 323.A O no hydrogen 3.069 N/A HIS 328.A N ASP 324.A O no hydrogen 3.175 N/A HIS 328.A ND1 ASP 324.A O no hydrogen 2.610 N/A ARG 329.A N THR 325.A O no hydrogen 2.982 N/A ARG 329.A N TYR 326.A O no hydrogen 3.154 N/A ARG 329.A NH1 ASN 316.A OD1 no hydrogen 2.915 N/A ARG 329.A NH1 ASP 318.A O no hydrogen 3.173 N/A VAL 330.A N TYR 326.A O no hydrogen 2.846 N/A ALA 331.A N LEU 327.A O no hydrogen 3.048 N/A ARG 332.A NH1 VAL 311.A O no hydrogen 2.920 N/A ARG 332.A NH2 VAL 311.A O no hydrogen 3.226 N/A ALA 333.A N MET 306.A O no hydrogen 2.675 N/A ARG 335.A N GLU 309.A OE2 no hydrogen 2.795 N/A GLY 337.A N GLU 309.A OE1 no hydrogen 3.387 N/A THR 338.A N GLU 380.A OE2 no hydrogen 2.685 N/A THR 338.A OG1 GLU 380.A OE2 no hydrogen 3.212 N/A LYS 339.A N GLU 380.A OE2 no hydrogen 3.015 N/A LYS 339.A NZ SER 376.A O no hydrogen 2.863 N/A LEU 341.A N ASN 312.A O no hydrogen 2.967 N/A ALA 342.A N GLN 218.A O no hydrogen 2.757 N/A ILE 343.A N ALA 314.A O no hydrogen 2.948 N/A THR 344.A N TYR 220.A O no hydrogen 2.917 N/A PHE 345.A N ASN 316.A O no hydrogen 3.050 N/A VAL 346.A N VAL 222.A O no hydrogen 2.721 N/A SER 347.A N ASP 351.A OD2 no hydrogen 3.382 N/A SER 347.A OG LEU 224.A O no hydrogen 3.290 N/A ASP 351.A N ASP 348.A OD1 no hydrogen 2.928 N/A ALA 352.A N ASP 348.A O no hydrogen 3.298 N/A LYS 353.A N GLU 349.A O no hydrogen 2.952 N/A ILE 354.A N ASN 350.A O no hydrogen 3.130 N/A LEU 355.A N ASP 351.A O no hydrogen 2.782 N/A ASN 356.A N ALA 352.A O no hydrogen 2.799 N/A ASP 357.A N LYS 353.A O no hydrogen 2.922 N/A VAL 358.A N ILE 354.A O no hydrogen 2.907 N/A GLN 359.A N LEU 355.A O no hydrogen 2.993 N/A GLN 359.A NE2 ASN 356.A OD1 no hydrogen 3.257 N/A ASP 360.A N ASN 356.A O no hydrogen 3.177 N/A ARG 361.A N ASP 357.A O no hydrogen 3.208 N/A PHE 362.A N VAL 358.A O no hydrogen 3.464 N/A GLU 363.A N ASP 360.A O no hydrogen 3.109 N/A VAL 364.A N GLN 359.A O no hydrogen 2.983 N/A ILE 366.A N GLN 359.A OE1 no hydrogen 2.939 N/A LEU 369.A N TYR 221.A O no hydrogen 2.990 N/A SER 376.A N ASP 374.A OD2 no hydrogen 3.058 N/A SER 376.A OG ASP 374.A OD1 no hydrogen 3.132 N/A SER 376.A OG ASP 374.A OD2 no hydrogen 3.000 N/A SER 377.A N ASP 374.A O no hydrogen 2.955 N/A SER 377.A OG ASP 374.A O no hydrogen 2.733 N/A TYR 378.A N ILE 375.A O no hydrogen 3.078 N/A TYR 378.A OH GLU 241.A O no hydrogen 2.630 N/A ILE 379.A N ILE 375.A O no hydrogen 2.977 N/A