Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N VAL 119.A O no hydrogen 2.844 N/A TYR 6.A N ARG 41.A O no hydrogen 2.790 N/A TYR 6.A OH HIS 28.A ND1 no hydrogen 2.894 N/A ILE 7.A N ILE 121.A O no hydrogen 2.871 N/A TYR 8.A N VAL 43.A O no hydrogen 3.227 N/A SER 9.A OG GLU 11.A OE1 no hydrogen 3.494 N/A TYR 12.A N SER 9.A OG no hydrogen 3.100 N/A TYR 12.A OH ASN 122.A OD1 no hydrogen 2.884 N/A VAL 13.A N SER 9.A O no hydrogen 2.917 N/A SER 14.A N PRO 10.A O no hydrogen 3.088 N/A SER 14.A OG PRO 10.A O no hydrogen 3.180 N/A MET 15.A N GLU 11.A O no hydrogen 3.073 N/A CYS 16.A N TYR 12.A O no hydrogen 3.097 N/A CYS 16.A SG TYR 12.A O no hydrogen 3.414 N/A ASP 17.A N VAL 13.A O no hydrogen 3.306 N/A SER 18.A N MET 15.A O no hydrogen 3.204 N/A SER 18.A OG MET 15.A O no hydrogen 2.636 N/A ARG 23.A NH1 GLY 289.A O no hydrogen 3.048 N/A ARG 23.A NH1 GLY 291.A O no hydrogen 2.727 N/A ARG 23.A NH2 GLY 289.A O no hydrogen 3.056 N/A SER 25.A N ASP 17.A OD2 no hydrogen 2.938 N/A VAL 27.A N ARG 23.A O no hydrogen 3.042 N/A HIS 28.A N ALA 24.A O no hydrogen 3.048 N/A HIS 28.A ND1 TYR 6.A OH no hydrogen 2.894 N/A SER 29.A N SER 25.A O no hydrogen 2.797 N/A LEU 30.A N MET 26.A O no hydrogen 2.969 N/A ILE 31.A N VAL 27.A O no hydrogen 3.076 N/A GLU 32.A N HIS 28.A O no hydrogen 2.773 N/A ALA 33.A N SER 29.A O no hydrogen 2.936 N/A TYR 34.A N LEU 30.A O no hydrogen 3.220 N/A TYR 34.A N ILE 31.A O no hydrogen 3.152 N/A TYR 34.A OH SER 314.A O no hydrogen 2.913 N/A ALA 35.A N GLU 32.A O no hydrogen 2.855 N/A LEU 36.A N ILE 31.A O no hydrogen 3.152 N/A LYS 38.A N ALA 35.A O no hydrogen 3.297 N/A GLN 39.A N LEU 36.A O no hydrogen 3.040 N/A MET 40.A N HIS 37.A O no hydrogen 3.319 N/A ARG 41.A N PRO 4.A O no hydrogen 2.782 N/A VAL 43.A N TYR 6.A O no hydrogen 3.073 N/A LYS 46.A N THR 107.A OG1 no hydrogen 3.076 N/A ALA 48.A N ALA 99.A O no hydrogen 2.978 N/A SER 49.A N GLU 52.A OE1 no hydrogen 3.355 N/A MET 53.A N SER 49.A O no hydrogen 2.959 N/A ALA 54.A N MET 50.A O no hydrogen 2.724 N/A THR 55.A N GLU 52.A O no hydrogen 3.217 N/A THR 55.A OG1 GLU 51.A O no hydrogen 3.489 N/A THR 55.A OG1 GLU 52.A O no hydrogen 2.732 N/A PHE 56.A N MET 53.A O no hydrogen 3.400 N/A HIS 57.A N MET 53.A O no hydrogen 3.083 N/A THR 58.A N LYS 132.A O no hydrogen 3.001 N/A TYR 61.A N THR 58.A O no hydrogen 3.185 N/A TYR 61.A N THR 58.A OG1 no hydrogen 3.287 N/A TYR 61.A OH TYR 140.A O no hydrogen 2.551 N/A LEU 62.A N THR 58.A O no hydrogen 2.984 N/A GLN 63.A N ASP 59.A O no hydrogen 2.691 N/A HIS 64.A N ALA 60.A O no hydrogen 3.367 N/A LEU 65.A N TYR 61.A O no hydrogen 3.029 N/A GLN 66.A N LEU 62.A O no hydrogen 3.124 N/A LYS 67.A N GLN 63.A O no hydrogen 3.035 N/A VAL 68.A N HIS 64.A O no hydrogen 2.981 N/A SER 69.A N LEU 65.A O no hydrogen 2.851 N/A GLN 70.A N GLN 66.A O no hydrogen 2.791 N/A GLU 71.A N LYS 67.A O no hydrogen 3.091 N/A SER 79.A N HIS 76.A O no hydrogen 3.330 N/A TYR 82.A N SER 79.A O no hydrogen 2.996 N/A GLY 83.A N ILE 80.A O no hydrogen 3.207 N/A LEU 84.A N SER 79.A O no hydrogen 3.173 N/A GLY 85.A N CYS 88.A O no hydrogen 3.131 N/A CYS 88.A N GLY 85.A O no hydrogen 3.266 N/A CYS 88.A SG CYS 139.A O no hydrogen 3.529 N/A GLY 93.A N SER 69.A O no hydrogen 3.344 N/A GLY 93.A N SER 69.A OG no hydrogen 3.221 N/A PHE 95.A N SER 69.A OG no hydrogen 3.162 N/A TYR 97.A N GLY 93.A O no hydrogen 2.850 N/A ALA 98.A N ILE 94.A O no hydrogen 3.062 N/A ALA 99.A N PHE 95.A O no hydrogen 2.989 N/A ALA 100.A N ASP 96.A O no hydrogen 2.947 N/A ILE 101.A N TYR 97.A O no hydrogen 3.071 N/A GLY 102.A N ALA 98.A O no hydrogen 2.746 N/A GLY 103.A N ALA 99.A O no hydrogen 2.924 N/A ALA 104.A N ALA 100.A O no hydrogen 2.868 N/A THR 105.A N ILE 101.A O no hydrogen 3.124 N/A THR 105.A OG1 ILE 101.A O no hydrogen 3.491 N/A THR 105.A OG1 ASP 143.A OD2 no hydrogen 2.870 N/A ILE 106.A N GLY 102.A O no hydrogen 2.922 N/A THR 107.A N GLY 103.A O no hydrogen 2.611 N/A THR 107.A OG1 GLY 103.A O no hydrogen 2.842 N/A ALA 108.A N ALA 104.A O no hydrogen 2.944 N/A ALA 109.A N THR 105.A O no hydrogen 3.028 N/A GLN 110.A N ILE 106.A O no hydrogen 2.986 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 3.291 N/A CYS 111.A N THR 107.A O no hydrogen 2.993 N/A CYS 111.A SG THR 107.A O no hydrogen 3.360 N/A LEU 112.A N ALA 108.A O no hydrogen 3.085 N/A ILE 113.A N ALA 109.A O no hydrogen 2.868 N/A ASP 114.A N GLN 110.A O no hydrogen 2.805 N/A GLY 115.A N LEU 112.A O no hydrogen 3.281 N/A MET 116.A N CYS 111.A O no hydrogen 3.076 N/A CYS 117.A SG VAL 119.A O no hydrogen 3.329 N/A LYS 118.A NZ GLN 281.A O no hydrogen 2.938 N/A ALA 120.A N THR 284.A O no hydrogen 2.945 N/A ILE 121.A N VAL 5.A O no hydrogen 2.806 N/A ASN 122.A N ILE 286.A O no hydrogen 2.858 N/A ASN 122.A ND2 THR 105.A OG1 no hydrogen 2.903 N/A TRP 123.A NE1 THR 305.A OG1 no hydrogen 3.120 N/A GLY 125.A N ASN 122.A O no hydrogen 2.878 N/A GLY 126.A N ASP 143.A OD2 no hydrogen 2.550 N/A TRP 127.A N ASP 143.A OD1 no hydrogen 2.775 N/A TRP 127.A NE1 SER 124.A O no hydrogen 2.842 N/A HIS 128.A N GLY 126.A O no hydrogen 2.969 N/A HIS 128.A ND1 ASP 162.A OD2 no hydrogen 2.329 N/A HIS 129.A ND1 ASP 169.A OD1 no hydrogen 2.817 N/A LYS 131.A N GLU 134.A O no hydrogen 2.947 N/A LYS 131.A NZ ASP 169.A OD2 no hydrogen 3.051 N/A ALA 135.A N TYR 82.A O no hydrogen 2.685 N/A SER 136.A N CYS 139.A O no hydrogen 3.120 N/A CYS 139.A N SER 136.A O no hydrogen 2.669 N/A CYS 139.A SG GLY 137.A O no hydrogen 3.273 N/A TYR 140.A OH PRO 89.A O no hydrogen 2.515 N/A ASN 142.A N HIS 57.A NE2 no hydrogen 3.112 N/A ASN 142.A ND2 HIS 128.A O no hydrogen 3.273 N/A ASN 142.A ND2 ALA 130.A O no hydrogen 2.851 N/A ASP 143.A N LEU 141.A O no hydrogen 3.085 N/A VAL 145.A N ASN 142.A OD1 no hydrogen 3.215 N/A LEU 146.A N ASN 142.A O no hydrogen 3.265 N/A GLY 147.A N ASP 143.A O no hydrogen 2.891 N/A ILE 148.A N ALA 144.A O no hydrogen 2.918 N/A LEU 149.A N VAL 145.A O no hydrogen 2.913 N/A ARG 150.A N LEU 146.A O no hydrogen 3.014 N/A ARG 150.A NE GLN 110.A OE1 no hydrogen 2.939 N/A ARG 150.A NH1 GLU 52.A OE2 no hydrogen 3.516 N/A ARG 150.A NH2 GLN 110.A OE1 no hydrogen 3.446 N/A LEU 151.A N GLY 147.A O no hydrogen 2.831 N/A ARG 152.A N ILE 148.A O no hydrogen 3.083 N/A ARG 152.A NH1 GLU 156.A O no hydrogen 2.829 N/A ARG 153.A N ARG 150.A O no hydrogen 3.079 N/A LYS 154.A N LEU 151.A O no hydrogen 2.870 N/A PHE 155.A N LEU 151.A O no hydrogen 2.802 N/A ARG 157.A NE PHE 241.A O no hydrogen 2.910 N/A ARG 157.A NE ASN 242.A O no hydrogen 2.829 N/A ARG 157.A NH2 ASN 242.A O no hydrogen 2.821 N/A ILE 158.A N LYS 180.A O no hydrogen 3.063 N/A LEU 159.A N ALA 245.A O no hydrogen 3.054 N/A TYR 160.A N MET 182.A O no hydrogen 2.675 N/A TYR 160.A OH ASP 162.A OD2 no hydrogen 2.701 N/A VAL 161.A N VAL 247.A O no hydrogen 2.802 N/A ASP 162.A N VAL 184.A O no hydrogen 2.847 N/A LEU 163.A N GLN 249.A O no hydrogen 2.971 N/A ASP 164.A N ASP 162.A OD1 no hydrogen 2.995 N/A LEU 165.A N ASP 253.A OD1 no hydrogen 2.903 N/A HIS 166.A N ASP 164.A OD2 no hydrogen 3.046 N/A HIS 167.A ND1 THR 197.A OG1 no hydrogen 2.607 N/A HIS 167.A NE2 GLU 172.A OE1 no hydrogen 2.939 N/A ASP 169.A N HIS 167.A O no hydrogen 2.824 N/A GLU 172.A N GLY 168.A O no hydrogen 2.972 N/A ASP 173.A N ASP 169.A O no hydrogen 2.884 N/A ALA 174.A N GLY 170.A O no hydrogen 3.354 N/A PHE 175.A N VAL 171.A O no hydrogen 3.306 N/A PHE 175.A N GLU 172.A O no hydrogen 3.007 N/A SER 176.A N ASP 173.A O no hydrogen 3.460 N/A SER 176.A OG GLU 172.A O no hydrogen 2.792 N/A THR 178.A N PHE 175.A O no hydrogen 3.159 N/A LYS 180.A N THR 178.A OG1 no hydrogen 3.108 N/A MET 182.A N ILE 158.A O no hydrogen 2.793 N/A THR 183.A N TYR 211.A O no hydrogen 3.098 N/A VAL 184.A N TYR 160.A O no hydrogen 2.787 N/A SER 185.A N VAL 213.A O no hydrogen 2.825 N/A SER 185.A OG HIS 187.A ND1 no hydrogen 2.685 N/A LEU 186.A N ASP 162.A O no hydrogen 3.164 N/A HIS 187.A N VAL 215.A O no hydrogen 3.243 N/A HIS 187.A ND1 SER 185.A OG no hydrogen 2.685 N/A HIS 187.A NE2 GLY 198.A O no hydrogen 2.962 N/A LYS 188.A N LEU 165.A O no hydrogen 2.779 N/A LYS 188.A NZ SER 262.A OG no hydrogen 3.375 N/A SER 190.A OG PHE 189.A O no hydrogen 2.840 N/A SER 190.A OG GLN 218.A OE1 no hydrogen 2.860 N/A PHE 193.A N SER 190.A O no hydrogen 2.969 N/A THR 197.A OG1 HIS 167.A ND1 no hydrogen 2.607 N/A SER 201.A OG ASP 199.A OD2 no hydrogen 3.549 N/A ASP 202.A N ASP 199.A O no hydrogen 3.027 N/A LEU 205.A N SER 176.A O no hydrogen 3.096 N/A GLY 208.A N LEU 205.A O no hydrogen 2.610 N/A ARG 209.A N GLY 206.A O no hydrogen 3.199 N/A ARG 209.A NE TYR 210.A OH no hydrogen 3.385 N/A TYR 210.A N VAL 203.A O no hydrogen 2.727 N/A TYR 211.A N GLY 208.A O no hydrogen 2.754 N/A SER 212.A N VAL 203.A O no hydrogen 3.266 N/A VAL 213.A N THR 183.A O no hydrogen 2.662 N/A ASN 214.A ND2 GLU 172.A OE1 no hydrogen 2.687 N/A ASN 214.A ND2 ASP 202.A O no hydrogen 2.951 N/A VAL 215.A N SER 185.A O no hydrogen 2.909 N/A ILE 217.A N HIS 187.A O no hydrogen 2.786 N/A GLN 218.A N ASN 343.A OD1 no hydrogen 2.629 N/A GLN 218.A NE2 PHE 189.A O no hydrogen 3.057 N/A GLY 220.A N SER 262.A O no hydrogen 2.690 N/A LYS 225.A NZ ASP 341.A OD2 no hydrogen 3.127 N/A LYS 225.A NZ ASN 343.A O no hydrogen 3.039 N/A TYR 226.A N GLN 222.A O no hydrogen 3.130 N/A TYR 227.A N ASP 223.A O no hydrogen 2.889 N/A GLN 228.A N GLU 224.A O no hydrogen 3.039 N/A ILE 229.A N LYS 225.A O no hydrogen 2.904 N/A CYS 230.A N TYR 226.A O no hydrogen 2.726 N/A GLU 231.A N TYR 227.A O no hydrogen 2.792 N/A SER 232.A N GLN 228.A O no hydrogen 2.948 N/A VAL 233.A N ILE 229.A O no hydrogen 3.046 N/A LEU 234.A N CYS 230.A O no hydrogen 2.965 N/A LYS 235.A N GLU 231.A O no hydrogen 3.078 N/A VAL 237.A N VAL 233.A O no hydrogen 2.907 N/A TYR 238.A N LEU 234.A O no hydrogen 2.864 N/A GLN 239.A N LYS 235.A O no hydrogen 3.376 N/A ALA 240.A N GLU 236.A O no hydrogen 2.947 N/A PHE 241.A N VAL 237.A O no hydrogen 2.687 N/A ASN 242.A N TYR 238.A O no hydrogen 3.161 N/A LYS 244.A N ARG 157.A O no hydrogen 3.003 N/A LYS 244.A NZ GLU 156.A OE2 no hydrogen 3.321 N/A VAL 246.A N ALA 283.A O no hydrogen 2.781 N/A VAL 247.A N LEU 159.A O no hydrogen 2.961 N/A LEU 248.A N LEU 285.A O no hydrogen 2.948 N/A GLN 249.A N VAL 161.A O no hydrogen 3.037 N/A LEU 250.A N LEU 287.A O no hydrogen 2.790 N/A ALA 252.A N GLY 290.A O no hydrogen 2.730 N/A ILE 255.A N ALA 252.A O no hydrogen 2.939 N/A ALA 256.A N MET 265.A O no hydrogen 2.690 N/A ASP 258.A N ILE 255.A O no hydrogen 2.999 N/A MET 260.A N ASP 258.A OD2 no hydrogen 2.649 N/A CYS 261.A N ASP 258.A O no hydrogen 2.937 N/A CYS 261.A SG ASP 258.A O no hydrogen 3.495 N/A SER 262.A OG MET 260.A O no hydrogen 2.864 N/A ASN 264.A N ILE 221.A O no hydrogen 2.899 N/A ASN 264.A ND2 SER 337.A O no hydrogen 2.948 N/A MET 265.A N THR 254.A O no hydrogen 3.328 N/A THR 266.A N ASP 223.A OD1 no hydrogen 2.956 N/A THR 266.A OG1 ASP 223.A OD1 no hydrogen 3.262 N/A THR 266.A OG1 ASP 223.A OD2 no hydrogen 2.541 N/A VAL 268.A N THR 266.A OG1 no hydrogen 3.244 N/A GLY 269.A N THR 266.A O no hydrogen 2.911 N/A ILE 270.A N THR 266.A O no hydrogen 3.480 N/A GLY 271.A N PRO 267.A O no hydrogen 2.803 N/A LYS 272.A N VAL 268.A O no hydrogen 3.141 N/A LYS 272.A N GLY 269.A O no hydrogen 3.115 N/A CYS 273.A N GLY 269.A O no hydrogen 3.406 N/A CYS 273.A SG GLY 269.A O no hydrogen 3.710 N/A LEU 274.A N ILE 270.A O no hydrogen 2.939 N/A LYS 275.A N GLY 271.A O no hydrogen 2.923 N/A TYR 276.A N LYS 272.A O no hydrogen 3.068 N/A ILE 277.A N CYS 273.A O no hydrogen 3.209 N/A LEU 278.A N LEU 274.A O no hydrogen 2.840 N/A GLN 279.A N LYS 275.A O no hydrogen 2.846 N/A GLN 279.A NE2 TYR 276.A O no hydrogen 3.147 N/A TRP 280.A N ILE 277.A O no hydrogen 3.025 N/A GLN 281.A N LEU 278.A O no hydrogen 2.799 N/A THR 284.A N LYS 118.A O no hydrogen 2.677 N/A THR 284.A OG1 LEU 282.A O no hydrogen 2.662 N/A LEU 285.A N VAL 246.A O no hydrogen 2.778 N/A ILE 286.A N ALA 120.A O no hydrogen 2.850 N/A LEU 287.A N LEU 248.A O no hydrogen 2.858 N/A GLY 290.A N ASP 164.A OD1 no hydrogen 2.707 N/A TYR 292.A N ASP 258.A OD1 no hydrogen 2.959 N/A ASN 293.A ND2 GLY 257.A O no hydrogen 3.149 N/A ASN 296.A N ASN 293.A OD1 no hydrogen 3.039 N/A THR 297.A N ASN 293.A O no hydrogen 2.639 N/A THR 297.A OG1 ASN 293.A O no hydrogen 3.352 N/A ALA 298.A N LEU 294.A O no hydrogen 2.907 N/A ARG 299.A N ALA 295.A O no hydrogen 2.999 N/A ARG 299.A NH1 VAL 331.A O no hydrogen 2.632 N/A CYS 300.A N ASN 296.A O no hydrogen 2.937 N/A TRP 301.A N THR 297.A O no hydrogen 2.973 N/A TRP 301.A NE1 LEU 250.A O no hydrogen 2.921 N/A THR 302.A N ALA 298.A O no hydrogen 2.849 N/A THR 302.A OG1 ALA 298.A O no hydrogen 2.989 N/A TYR 303.A N ARG 299.A O no hydrogen 3.000 N/A LEU 304.A N CYS 300.A O no hydrogen 2.906 N/A THR 305.A N TRP 301.A O no hydrogen 2.935 N/A THR 305.A OG1 TRP 301.A O no hydrogen 2.943 N/A GLY 306.A N THR 302.A O no hydrogen 3.113 N/A VAL 307.A N TYR 303.A O no hydrogen 2.934 N/A ILE 308.A N LEU 304.A O no hydrogen 2.867 N/A LEU 309.A N THR 305.A O no hydrogen 2.962 N/A GLY 310.A N VAL 307.A O no hydrogen 2.936 N/A LYS 311.A N GLY 306.A O no hydrogen 2.932 N/A LYS 311.A NZ GLN 39.A OE1 no hydrogen 3.092 N/A SER 314.A OG GLU 316.A O no hydrogen 3.371 N/A SER 315.A OG GLU 333.A OE1 no hydrogen 3.227 N/A SER 315.A OG GLU 333.A OE2 no hydrogen 2.972 N/A ILE 317.A N TYR 330.A O no hydrogen 2.879 N/A HIS 320.A ND1 PRO 318.A O no hydrogen 2.841 N/A PHE 323.A N HIS 320.A O no hydrogen 3.260 N/A ALA 325.A N PHE 322.A O no hydrogen 3.147 N/A TYR 326.A N PHE 323.A O no hydrogen 2.990 N/A LEU 332.A N SER 315.A O no hydrogen 2.612 N/A SER 337.A N ASN 264.A OD1 no hydrogen 2.812 N/A ARG 339.A NH2 SER 262.A O no hydrogen 2.399 N/A ARG 342.A N ASP 219.A O no hydrogen 3.139 N/A ARG 342.A NH2 ASP 219.A OD1 no hydrogen 2.816 N/A ASN 343.A N ASP 341.A OD1 no hydrogen 3.034 N/A ASN 343.A ND2 GLN 218.A O no hydrogen 2.744 N/A ASN 343.A ND2 ASP 341.A OD1 no hydrogen 2.981 N/A HIS 346.A N GLU 344.A OE2 no hydrogen 3.046 N/A ILE 348.A N GLU 344.A O no hydrogen 3.271 N/A GLN 349.A N PRO 345.A O no hydrogen 3.371 N/A GLN 349.A NE2 ASN 353.A OD1 no hydrogen 2.945 N/A GLN 350.A N HIS 346.A O no hydrogen 3.067 N/A ILE 351.A N ARG 347.A O no hydrogen 2.948 N/A LEU 352.A N ILE 348.A O no hydrogen 2.926 N/A ASN 353.A N GLN 349.A O no hydrogen 3.063 N/A TYR 354.A N GLN 350.A O no hydrogen 2.981 N/A ILE 355.A N ILE 351.A O no hydrogen 2.908 N/A LYS 356.A N LEU 352.A O no hydrogen 2.828 N/A GLY 357.A N ASN 353.A O no hydrogen 2.771 N/A ASN 358.A N TYR 354.A O no hydrogen 3.045 N/A LEU 359.A N ILE 355.A O no hydrogen 2.842 N/A LYS 360.A N GLY 357.A O no hydrogen 2.740 N/A VAL 362.A N LEU 359.A O no hydrogen 3.312 N/A