Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N GLU 2.A OE2 no hydrogen 3.523 N/A THR 3.A OG1 GLU 2.A O no hydrogen 2.578 N/A LEU 6.A N PRO 91.A O no hydrogen 2.782 N/A VAL 7.A N GLY 18.A O no hydrogen 3.178 N/A CYS 8.A N LEU 93.A O no hydrogen 2.944 N/A CYS 8.A SG ASN 10.A OD1 no hydrogen 3.414 N/A ASP 9.A N LYS 16.A O no hydrogen 2.849 N/A GLY 11.A N LEU 14.A O no hydrogen 2.713 N/A VAL 15.A N PHE 29.A O no hydrogen 2.915 N/A LYS 16.A N ASP 9.A O no hydrogen 2.917 N/A LYS 16.A NZ LEU 14.A O no hydrogen 3.062 N/A ALA 17.A N ALA 27.A O no hydrogen 2.843 N/A GLY 18.A N VAL 7.A O no hydrogen 3.070 N/A ALA 20.A N ALA 5.A O no hydrogen 2.965 N/A GLY 21.A N SER 333.A O no hydrogen 3.433 N/A GLY 21.A N SER 333.A OG no hydrogen 3.252 N/A ASP 22.A N PHE 19.A O no hydrogen 3.144 N/A ARG 26.A NE ASP 22.A OD2 no hydrogen 3.155 N/A ALA 27.A N ALA 17.A O no hydrogen 3.015 N/A PHE 29.A N VAL 15.A O no hydrogen 3.142 N/A SER 31.A N GLY 13.A O no hydrogen 2.770 N/A SER 31.A OG GLY 11.A O no hydrogen 3.337 N/A VAL 33.A N LYS 58.A O no hydrogen 2.961 N/A GLY 34.A N TYR 43.A O no hydrogen 2.866 N/A ARG 35.A N THR 56.A O no hydrogen 3.269 N/A ARG 37.A N ILE 54.A O no hydrogen 3.092 N/A ARG 37.A NE LEU 55.A O no hydrogen 3.459 N/A ARG 37.A NH2 ARG 52.A O no hydrogen 3.377 N/A ARG 37.A NH2 LEU 55.A O no hydrogen 3.447 N/A TYR 43.A N GLY 34.A O no hydrogen 2.900 N/A GLY 45.A N ILE 32.A O no hydrogen 3.117 N/A ALA 48.A N GLY 45.A O no hydrogen 3.061 N/A GLN 49.A N GLY 45.A O no hydrogen 3.445 N/A GLN 49.A NE2 ASP 46.A OD2 no hydrogen 3.319 N/A SER 50.A N ASP 46.A O no hydrogen 2.989 N/A SER 50.A OG ASP 46.A O no hydrogen 2.620 N/A LYS 51.A N GLU 47.A O no hydrogen 3.188 N/A LYS 51.A NZ TYR 43.A OH no hydrogen 3.054 N/A ARG 52.A N GLN 49.A O no hydrogen 3.138 N/A ARG 52.A NH1 THR 192.A O no hydrogen 2.566 N/A ARG 52.A NH2 GLN 49.A O no hydrogen 2.508 N/A ILE 54.A N LYS 51.A O no hydrogen 3.035 N/A LEU 55.A N ARG 52.A O no hydrogen 3.115 N/A THR 56.A N ARG 35.A O no hydrogen 2.848 N/A LYS 58.A N VAL 33.A O no hydrogen 2.928 N/A GLU 62.A N ILE 64.A O no hydrogen 2.936 N/A ILE 64.A N GLU 62.A O no hydrogen 3.281 N/A THR 66.A N PRO 60.A O no hydrogen 2.778 N/A THR 66.A OG1 PRO 60.A O no hydrogen 3.186 N/A ASP 70.A N ASN 67.A OD1 no hydrogen 3.006 N/A MET 71.A N ASN 67.A O no hydrogen 2.925 N/A GLU 72.A N TRP 68.A O no hydrogen 2.980 N/A LYS 73.A N ASP 69.A O no hydrogen 3.285 N/A ILE 74.A N ASP 70.A O no hydrogen 3.109 N/A TRP 75.A N MET 71.A O no hydrogen 3.082 N/A HIS 76.A N GLU 72.A O no hydrogen 2.865 N/A HIS 77.A N LYS 73.A O no hydrogen 2.968 N/A THR 78.A N ILE 74.A O no hydrogen 2.787 N/A THR 78.A OG1 ILE 74.A O no hydrogen 2.748 N/A PHE 79.A N TRP 75.A O no hydrogen 3.005 N/A TYR 80.A N HIS 76.A O no hydrogen 2.827 N/A ASN 81.A N HIS 77.A O no hydrogen 3.133 N/A GLU 82.A N THR 78.A O no hydrogen 3.287 N/A LEU 83.A N THR 78.A O no hydrogen 2.974 N/A VAL 85.A N PHE 79.A O no hydrogen 2.993 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.588 N/A GLU 89.A N ALA 86.A O no hydrogen 3.251 N/A HIS 90.A N PRO 87.A O no hydrogen 3.244 N/A HIS 90.A ND1 THR 4.A O no hydrogen 2.947 N/A THR 92.A N ALA 120.A O no hydrogen 2.934 N/A THR 92.A OG1 HIS 90.A O no hydrogen 3.148 N/A LEU 93.A N LEU 6.A O no hydrogen 2.731 N/A LEU 94.A N TYR 122.A O no hydrogen 2.786 N/A THR 95.A OG1 ASP 9.A OD1 no hydrogen 2.685 N/A GLU 96.A N ALA 124.A O no hydrogen 2.986 N/A ASN 100.A N ALA 97.A O no hydrogen 3.252 N/A ASN 100.A ND2 GLU 96.A OE1 no hydrogen 2.959 N/A ASN 104.A N PRO 101.A O no hydrogen 3.108 N/A ASN 104.A ND2 ILE 65.A O no hydrogen 3.383 N/A ASN 104.A ND2 ASN 100.A OD1 no hydrogen 3.660 N/A ARG 105.A N PRO 101.A O no hydrogen 3.326 N/A ARG 105.A NE GLU 96.A OE2 no hydrogen 3.032 N/A ARG 105.A NH1 GLU 96.A OE2 no hydrogen 3.444 N/A GLU 106.A N LYS 102.A O no hydrogen 3.034 N/A LYS 107.A N ALA 103.A O no hydrogen 2.964 N/A MET 108.A N ASN 104.A O no hydrogen 2.870 N/A THR 109.A N ARG 105.A O no hydrogen 2.890 N/A THR 109.A OG1 ARG 105.A O no hydrogen 3.445 N/A GLN 110.A N GLU 106.A O no hydrogen 2.835 N/A ILE 111.A N LYS 107.A O no hydrogen 3.103 N/A MET 112.A N MET 108.A O no hydrogen 3.044 N/A PHE 113.A N THR 109.A O no hydrogen 3.199 N/A GLU 114.A N GLN 110.A O no hydrogen 3.045 N/A THR 115.A N ILE 111.A O no hydrogen 2.766 N/A PHE 116.A N ILE 111.A O no hydrogen 3.247 N/A ASN 117.A ND2 THR 115.A O no hydrogen 3.638 N/A VAL 118.A N MET 112.A O no hydrogen 3.347 N/A MET 121.A N ILE 346.A O no hydrogen 2.857 N/A TYR 122.A N THR 92.A O no hydrogen 3.330 N/A ALA 124.A N LEU 94.A O no hydrogen 2.865 N/A GLN 126.A N GLU 96.A O no hydrogen 2.952 N/A GLN 126.A NE2 THR 95.A OG1 no hydrogen 3.009 N/A LEU 129.A N ILE 125.A O no hydrogen 3.416 N/A SER 130.A N GLN 126.A O no hydrogen 3.261 N/A SER 130.A OG SER 289.A OG no hydrogen 2.840 N/A LEU 131.A N ALA 127.A O no hydrogen 3.133 N/A TYR 132.A N VAL 128.A O no hydrogen 2.858 N/A ALA 133.A N LEU 129.A O no hydrogen 2.771 N/A SER 134.A N SER 130.A O no hydrogen 3.307 N/A SER 134.A N LEU 131.A O no hydrogen 2.955 N/A SER 134.A OG LEU 131.A O no hydrogen 2.594 N/A GLY 135.A N TYR 132.A O no hydrogen 2.677 N/A ARG 136.A N LEU 131.A O no hydrogen 3.440 N/A ARG 136.A NE ASN 285.A OD1 no hydrogen 2.697 N/A GLY 139.A N ILE 154.A O no hydrogen 3.010 N/A ILE 140.A N ASN 285.A O no hydrogen 3.000 N/A VAL 141.A N VAL 152.A O no hydrogen 2.899 N/A LEU 142.A N VAL 287.A O no hydrogen 2.858 N/A ASP 143.A N HIS 150.A O no hydrogen 3.068 N/A SER 144.A N SER 289.A O no hydrogen 2.948 N/A SER 144.A OG THR 149.A OG1 no hydrogen 3.183 N/A GLY 145.A N VAL 148.A O no hydrogen 3.320 N/A THR 149.A N LEU 167.A O no hydrogen 2.885 N/A THR 149.A OG1 SER 144.A OG no hydrogen 3.183 N/A THR 149.A OG1 LEU 169.A O no hydrogen 2.579 N/A HIS 150.A N ASP 143.A O no hydrogen 2.896 N/A ASN 151.A N MET 165.A O no hydrogen 2.834 N/A VAL 152.A N VAL 141.A O no hydrogen 2.972 N/A ILE 154.A N GLY 139.A O no hydrogen 2.848 N/A TYR 155.A N TYR 158.A O no hydrogen 2.783 N/A GLU 156.A N THR 138.A OG1 no hydrogen 3.267 N/A GLY 157.A N THR 137.A O no hydrogen 2.952 N/A TYR 158.A N TYR 155.A O no hydrogen 3.319 N/A LEU 160.A N PRO 153.A O no hydrogen 2.904 N/A ALA 163.A N LEU 160.A O no hydrogen 2.960 N/A ILE 164.A N PRO 161.A O no hydrogen 3.499 N/A MET 165.A N ASN 151.A O no hydrogen 3.135 N/A ARG 166.A NE ASP 168.A OD1 no hydrogen 2.923 N/A ARG 166.A NH2 ASP 168.A OD1 no hydrogen 3.224 N/A ARG 166.A NH2 ASP 168.A OD2 no hydrogen 3.240 N/A LEU 167.A N THR 149.A O no hydrogen 2.768 N/A LEU 169.A N LEU 167.A O no hydrogen 2.645 N/A GLY 171.A N GLY 145.A O no hydrogen 3.187 N/A ARG 172.A N ASP 146.A O no hydrogen 2.894 N/A ARG 172.A NE ASP 146.A OD2 no hydrogen 2.892 N/A ARG 172.A NH2 ASP 146.A OD2 no hydrogen 3.548 N/A ASP 173.A N ALA 170.A O no hydrogen 3.135 N/A LEU 174.A N ALA 170.A O no hydrogen 3.260 N/A LEU 174.A N GLY 171.A O no hydrogen 3.133 N/A THR 175.A N GLY 171.A O no hydrogen 2.942 N/A THR 175.A OG1 GLY 171.A O no hydrogen 3.303 N/A TYR 177.A N ASP 173.A O no hydrogen 2.913 N/A LEU 178.A N LEU 174.A O no hydrogen 2.912 N/A MET 179.A N THR 175.A O no hydrogen 2.931 N/A LYS 180.A N ASP 176.A O no hydrogen 2.892 N/A ILE 181.A N TYR 177.A O no hydrogen 3.067 N/A LEU 182.A N LEU 178.A O no hydrogen 2.948 N/A THR 183.A N MET 179.A O no hydrogen 3.307 N/A THR 183.A N LYS 180.A O no hydrogen 3.023 N/A THR 183.A OG1 MET 179.A O no hydrogen 2.705 N/A THR 183.A OG1 TYR 187.A O no hydrogen 3.290 N/A GLU 184.A N LYS 180.A O no hydrogen 3.031 N/A ARG 185.A N LEU 182.A O no hydrogen 3.379 N/A GLY 186.A N THR 183.A O no hydrogen 2.802 N/A ALA 193.A N GLU 194.A OE1 no hydrogen 3.219 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.695 N/A ARG 195.A N VAL 190.A O no hydrogen 3.061 N/A ARG 195.A NH1 THR 191.A OG1 no hydrogen 2.797 N/A GLU 196.A N ALA 193.A O no hydrogen 3.103 N/A ILE 197.A N ALA 193.A O no hydrogen 3.447 N/A VAL 198.A N GLU 194.A O no hydrogen 2.940 N/A ARG 199.A N ARG 195.A O no hydrogen 3.355 N/A ARG 199.A N GLU 196.A O no hydrogen 3.174 N/A ASP 200.A N GLU 196.A O no hydrogen 3.192 N/A ILE 201.A N ILE 197.A O no hydrogen 2.826 N/A LYS 202.A N VAL 198.A O no hydrogen 3.135 N/A LYS 202.A NZ GLY 171.A O no hydrogen 3.187 N/A LYS 202.A NZ THR 175.A OG1 no hydrogen 2.773 N/A GLU 203.A N ARG 199.A O no hydrogen 3.067 N/A LYS 204.A N ASP 200.A O no hydrogen 2.896 N/A LYS 204.A N ILE 201.A O no hydrogen 3.291 N/A LYS 204.A NZ ASP 200.A OD2 no hydrogen 3.057 N/A LEU 205.A N ILE 201.A O no hydrogen 2.799 N/A CYS 206.A N LYS 202.A O no hydrogen 3.182 N/A TYR 207.A N ARG 243.A O no hydrogen 2.890 N/A TYR 207.A OH GLU 215.A OE2 no hydrogen 2.785 N/A VAL 208.A N PRO 296.A O no hydrogen 2.960 N/A ASN 214.A N ASP 211.A OD1 no hydrogen 3.305 N/A GLU 215.A N ASP 211.A O no hydrogen 2.534 N/A MET 216.A N PHE 212.A O no hydrogen 2.864 N/A ALA 217.A N GLU 213.A O no hydrogen 3.376 N/A THR 218.A N ASN 214.A O no hydrogen 3.348 N/A THR 218.A OG1 ASN 214.A O no hydrogen 3.322 N/A ALA 219.A N GLU 215.A O no hydrogen 3.253 N/A ALA 220.A N ALA 217.A O no hydrogen 3.287 N/A SER 221.A N THR 218.A O no hydrogen 3.185 N/A SER 221.A OG ALA 217.A O no hydrogen 3.551 N/A SER 222.A N THR 218.A O no hydrogen 3.090 N/A SER 222.A OG THR 218.A O no hydrogen 3.395 N/A GLU 226.A N SER 223.A O no hydrogen 3.126 N/A LYS 227.A N ILE 239.A O no hydrogen 2.681 N/A TYR 229.A N ILE 237.A O no hydrogen 2.853 N/A TYR 229.A OH ASP 200.A OD1 no hydrogen 2.807 N/A LEU 231.A N GLN 235.A O no hydrogen 3.120 N/A ILE 237.A N TYR 229.A O no hydrogen 2.945 N/A ILE 239.A N LYS 227.A O no hydrogen 2.753 N/A GLY 240.A N GLU 242.A OE1 no hydrogen 3.327 N/A ARG 243.A N GLY 240.A O no hydrogen 3.105 N/A ARG 243.A NE LEU 205.A O no hydrogen 3.048 N/A ARG 243.A NH1 LEU 225.A O no hydrogen 2.771 N/A PHE 244.A N ASN 241.A O no hydrogen 3.295 N/A ARG 245.A N ASN 241.A O no hydrogen 3.003 N/A ARG 245.A NH1 ASN 241.A OD1 no hydrogen 3.009 N/A CYS 246.A SG LEU 174.A O no hydrogen 3.582 N/A GLU 248.A N PHE 244.A O no hydrogen 3.305 N/A THR 249.A N CYS 246.A O no hydrogen 3.298 N/A THR 249.A OG1 CYS 246.A O no hydrogen 3.139 N/A LEU 250.A N PRO 247.A O no hydrogen 2.947 N/A PHE 251.A N GLU 248.A O no hydrogen 2.885 N/A GLN 252.A N GLU 248.A O no hydrogen 2.811 N/A GLN 252.A NE2 GLU 248.A OE2 no hydrogen 2.999 N/A PHE 255.A N GLN 252.A O no hydrogen 3.132 N/A ILE 256.A N PRO 253.A O no hydrogen 3.004 N/A MET 258.A N PRO 253.A O no hydrogen 3.126 N/A ILE 263.A N LEU 250.A O no hydrogen 2.866 N/A THR 266.A N GLY 262.A O no hydrogen 2.917 N/A THR 266.A OG1 ASN 151.A OD1 no hydrogen 2.671 N/A THR 266.A OG1 GLY 262.A O no hydrogen 3.405 N/A THR 266.A OG1 ILE 263.A O no hydrogen 3.251 N/A THR 267.A N ILE 263.A O no hydrogen 3.012 N/A THR 267.A OG1 ILE 263.A O no hydrogen 2.618 N/A TYR 268.A N HIS 264.A O no hydrogen 2.902 N/A ASN 269.A N GLU 265.A O no hydrogen 2.638 N/A SER 270.A N THR 266.A O no hydrogen 2.865 N/A SER 270.A OG ALA 163.A O no hydrogen 2.696 N/A ILE 271.A N THR 267.A O no hydrogen 3.176 N/A MET 272.A N TYR 268.A O no hydrogen 2.939 N/A LYS 273.A N SER 270.A O no hydrogen 3.187 N/A CYS 274.A N ILE 271.A O no hydrogen 2.739 N/A CYS 274.A SG SER 270.A O no hydrogen 3.642 N/A ILE 278.A N ASP 275.A O no hydrogen 3.127 N/A ARG 279.A NE ILE 271.A O no hydrogen 3.465 N/A ARG 279.A NE CYS 274.A O no hydrogen 3.002 N/A ARG 279.A NH2 MET 272.A O no hydrogen 3.192 N/A LEU 282.A N ILE 278.A O no hydrogen 3.063 N/A TYR 283.A N ARG 279.A O no hydrogen 2.800 N/A ALA 284.A N LYS 280.A O no hydrogen 3.281 N/A ASN 285.A N LEU 282.A O no hydrogen 2.854 N/A ASN 285.A ND2 ASP 281.A O no hydrogen 2.753 N/A ASN 286.A N LYS 317.A O no hydrogen 3.075 N/A VAL 287.A N ILE 140.A O no hydrogen 3.102 N/A MET 288.A N ILE 319.A O no hydrogen 3.175 N/A SER 289.A N LEU 142.A O no hydrogen 2.896 N/A SER 289.A OG SER 130.A OG no hydrogen 2.840 N/A GLY 290.A N ARG 324.A O no hydrogen 2.927 N/A THR 292.A N SER 144.A O no hydrogen 3.016 N/A THR 292.A OG1 GLY 145.A O no hydrogen 2.598 N/A THR 293.A OG1 GLY 290.A O no hydrogen 2.776 N/A MET 294.A N GLY 291.A O no hydrogen 3.444 N/A ILE 298.A N TYR 295.A O no hydrogen 3.293 N/A ARG 301.A N GLY 297.A O no hydrogen 3.103 N/A ARG 301.A NE GLU 305.A OE2 no hydrogen 2.984 N/A ARG 301.A NH1 ALA 209.A O no hydrogen 3.119 N/A ARG 301.A NH1 GLU 248.A OE1 no hydrogen 2.888 N/A ARG 301.A NH1 GLU 248.A OE2 no hydrogen 3.251 N/A ARG 301.A NH2 GLU 248.A OE2 no hydrogen 2.897 N/A MET 302.A N ILE 298.A O no hydrogen 3.097 N/A GLN 303.A N ALA 299.A O no hydrogen 2.962 N/A GLN 303.A NE2 ILE 316.A O no hydrogen 3.623 N/A LYS 304.A N ASP 300.A O no hydrogen 2.917 N/A LYS 304.A NZ LEU 210.A O no hydrogen 3.193 N/A GLU 305.A N ARG 301.A O no hydrogen 2.820 N/A ILE 306.A N MET 302.A O no hydrogen 2.958 N/A THR 307.A N GLN 303.A O no hydrogen 3.147 N/A THR 307.A OG1 GLN 303.A O no hydrogen 2.594 N/A ALA 308.A N LYS 304.A O no hydrogen 3.284 N/A ALA 308.A N GLU 305.A O no hydrogen 3.244 N/A LEU 309.A N GLU 305.A O no hydrogen 3.239 N/A LEU 309.A N ILE 306.A O no hydrogen 3.196 N/A ALA 310.A N ILE 306.A O no hydrogen 3.011 N/A LYS 317.A N TYR 283.A O no hydrogen 2.965 N/A ILE 319.A N ASN 286.A O no hydrogen 2.644 N/A ARG 324.A N PRO 321.A O no hydrogen 3.018 N/A ARG 324.A NE THR 293.A O no hydrogen 3.020 N/A ARG 324.A NH1 PRO 321.A O no hydrogen 2.677 N/A ARG 324.A NH2 THR 293.A O no hydrogen 2.947 N/A TYR 326.A N GLU 323.A O no hydrogen 2.877 N/A SER 327.A N ARG 324.A O no hydrogen 3.282 N/A TRP 329.A NE1 VAL 7.A O no hydrogen 3.118 N/A ILE 330.A N TYR 326.A O no hydrogen 2.878 N/A GLY 331.A N SER 327.A O no hydrogen 2.544 N/A GLY 332.A N VAL 328.A O no hydrogen 2.996 N/A SER 333.A N TRP 329.A O no hydrogen 2.769 N/A SER 333.A OG ASP 22.A O no hydrogen 2.600 N/A ILE 334.A N ILE 330.A O no hydrogen 2.876 N/A LEU 335.A N GLY 331.A O no hydrogen 3.152 N/A ALA 336.A N GLY 332.A O no hydrogen 2.996 N/A SER 337.A N ILE 334.A O no hydrogen 2.887 N/A SER 337.A OG SER 333.A O no hydrogen 3.231 N/A SER 337.A OG ILE 334.A O no hydrogen 2.599 N/A LEU 338.A N LEU 335.A O no hydrogen 2.800 N/A PHE 341.A N LEU 338.A O no hydrogen 3.383 N/A GLN 342.A N SER 339.A O no hydrogen 3.171 N/A GLN 342.A NE2 ALA 336.A O no hydrogen 2.907 N/A GLN 342.A NE2 LEU 338.A O no hydrogen 3.069 N/A MET 344.A N PHE 341.A O no hydrogen 2.679 N/A TRP 345.A NE1 GLN 342.A OE1 no hydrogen 3.124 N/A ILE 346.A N MET 121.A O no hydrogen 2.915 N/A LYS 348.A N PRO 119.A O no hydrogen 3.018 N/A TYR 351.A N THR 347.A O no hydrogen 3.032 N/A TYR 351.A OH GLU 114.A OE2 no hydrogen 2.827 N/A ASP 352.A N LYS 348.A O no hydrogen 2.843 N/A GLU 353.A N GLN 349.A O no hydrogen 3.175 N/A ALA 354.A N GLU 350.A O no hydrogen 3.162 N/A ILE 358.A N GLY 355.A O no hydrogen 3.005 N/A