Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wy1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 7.A ND1 HIS 4.A O no hydrogen 3.042 N/A LEU 8.A N GLN 63.A OE1 no hydrogen 3.174 N/A LEU 9.A N PHE 6.A O no hydrogen 3.272 N/A TYR 10.A N HIS 7.A O no hydrogen 3.297 N/A TYR 10.A OH PRO 121.A O no hydrogen 2.711 N/A TYR 11.A N ARG 130.A O no hydrogen 3.192 N/A SER 12.A OG THR 15.A OG1 no hydrogen 2.697 N/A THR 15.A OG1 SER 12.A O no hydrogen 3.337 N/A THR 15.A OG1 SER 12.A OG no hydrogen 2.697 N/A CYS 16.A N SER 12.A O no hydrogen 2.988 N/A ALA 17.A N LYS 13.A O no hydrogen 3.127 N/A GLN 18.A N SER 14.A O no hydrogen 2.770 N/A THR 24.A OG1 ASP 365.A OD1.B no hydrogen 3.350 N/A PHE 25.A N LEU 167.A O no hydrogen 3.137 N/A ILE 30.A N SER 186.A O no hydrogen 3.286 N/A GLN 31.A N GLN 31.A OE1 no hydrogen 2.743 N/A ALA 32.A N PRO 29.A O no hydrogen 3.335 N/A THR 34.A OG1 ALA 32.A O no hydrogen 3.141 N/A VAL 37.A N VAL 207.A O no hydrogen 3.070 N/A LYS 40.A N ASP 38.A OD1 no hydrogen 3.065 N/A LEU 42.A N ASP 38.A O no hydrogen 3.241 N/A ARG 43.A N GLU 39.A O no hydrogen 3.340 N/A ARG 43.A NE VAL 148.A O no hydrogen 3.175 N/A ARG 43.A NH2 VAL 148.A O no hydrogen 3.382 N/A ASP 44.A N LYS 40.A O no hydrogen 3.445 N/A LYS 45.A N THR 41.A O no hydrogen 3.369 N/A LEU 46.A N LEU 42.A O no hydrogen 2.989 N/A VAL 47.A N ARG 43.A O no hydrogen 2.652 N/A LEU 48.A N ASP 44.A O no hydrogen 2.594 N/A ALA 49.A N LEU 46.A O no hydrogen 2.947 N/A THR 50.A N LEU 46.A O no hydrogen 3.299 N/A THR 50.A OG1 VAL 47.A O no hydrogen 3.019 N/A GLU 51.A N VAL 47.A O no hydrogen 3.091 N/A LYS 52.A N ALA 49.A O no hydrogen 3.006 N/A LEU 53.A N THR 50.A O no hydrogen 3.442 N/A ARG 58.A N GLU 54.A O no hydrogen 3.277 N/A GLN 59.A NE2 ALA 55.A O no hydrogen 3.326 N/A ALA 61.A N ASP 57.A O no hydrogen 3.276 N/A ALA 62.A N ARG 58.A O no hydrogen 3.217 N/A GLN 63.A N GLN 59.A O no hydrogen 2.892 N/A VAL 64.A N ARG 60.A O no hydrogen 2.609 N/A ALA 65.A N ALA 61.A O no hydrogen 2.806 N/A MET 66.A N ALA 62.A O no hydrogen 2.964 N/A ILE 67.A N GLN 63.A O no hydrogen 3.482 N/A ALA 68.A N VAL 64.A O no hydrogen 2.846 N/A ASN 69.A N ALA 65.A O no hydrogen 2.957 N/A ASN 69.A ND2 GLY 406.A O no hydrogen 3.460 N/A PHE 70.A N MET 66.A O no hydrogen 3.113 N/A MET 71.A N ILE 67.A O no hydrogen 2.870 N/A GLY 72.A N ALA 68.A O no hydrogen 2.789 N/A PHE 73.A N ASN 69.A O no hydrogen 2.969 N/A ARG 74.A N PHE 70.A O no hydrogen 3.109 N/A MET 75.A N MET 71.A O no hydrogen 3.022 N/A TYR 76.A N GLY 72.A O no hydrogen 2.767 N/A TYR 76.A OH GLU 306.A OE2 no hydrogen 3.007 N/A LYS 77.A N PHE 73.A O no hydrogen 3.057 N/A MET 78.A N ARG 74.A O no hydrogen 3.251 N/A LEU 79.A N MET 75.A O no hydrogen 2.764 N/A SER 80.A N TYR 76.A O no hydrogen 2.860 N/A SER 80.A OG TYR 76.A O no hydrogen 2.860 N/A GLU 81.A N LYS 77.A O no hydrogen 3.262 N/A ALA 82.A N MET 78.A O no hydrogen 2.875 N/A ARG 83.A N LEU 79.A O no hydrogen 3.014 N/A ARG 83.A NE ALA 82.A O no hydrogen 3.566 N/A GLY 87.A N VAL 84.A O no hydrogen 2.771 N/A ALA 88.A N ARG 413.A O no hydrogen 3.027 N/A LEU 90.A N LEU 411.A O no hydrogen 2.909 N/A SER 91.A OG HIS 409.A O no hydrogen 2.984 N/A LEU 95.A N SER 91.A O no hydrogen 2.889 N/A PHE 96.A N PRO 92.A O no hydrogen 2.723 N/A GLY 97.A N PRO 93.A O no hydrogen 2.837 N/A THR 98.A N ALA 94.A O no hydrogen 2.990 N/A THR 98.A OG1 ALA 94.A O no hydrogen 2.831 N/A THR 98.A OG1 THR 229.A OG1 no hydrogen 3.126 N/A LEU 99.A N LEU 95.A O no hydrogen 3.465 N/A VAL 100.A N PHE 96.A O no hydrogen 2.941 N/A SER 101.A N GLY 97.A O no hydrogen 2.768 N/A SER 101.A OG GLY 97.A O no hydrogen 2.935 N/A PHE 102.A N THR 98.A O no hydrogen 3.132 N/A TYR 103.A N LEU 99.A O no hydrogen 2.944 N/A TYR 103.A OH LEU 131.A O no hydrogen 2.750 N/A LEU 104.A N VAL 100.A O no hydrogen 2.848 N/A GLY 105.A N SER 101.A O no hydrogen 3.308 N/A GLY 105.A N PHE 102.A O no hydrogen 3.214 N/A SER 106.A N TYR 103.A O no hydrogen 2.832 N/A SER 106.A OG PHE 102.A O no hydrogen 3.443 N/A SER 106.A OG TYR 103.A O no hydrogen 2.553 N/A LEU 107.A N ASN 359.A O no hydrogen 2.879 N/A ALA 111.A N LEU 107.A O no hydrogen 3.094 N/A SER 112.A N ASP 108.A O no hydrogen 3.469 N/A SER 112.A OG ASP 108.A O no hydrogen 3.108 N/A LEU 114.A N THR 110.A O no hydrogen 2.939 N/A GLN 115.A N ALA 111.A O no hydrogen 2.825 N/A GLN 115.A NE2 PRO 121.A O no hydrogen 3.069 N/A GLN 115.A NE2 SER 129.A O no hydrogen 2.703 N/A VAL 116.A N SER 112.A O no hydrogen 2.859 N/A LEU 117.A N GLN 113.A O no hydrogen 2.834 N/A LEU 118.A N LEU 114.A O no hydrogen 3.002 N/A GLY 119.A N GLN 115.A O no hydrogen 3.210 N/A GLY 119.A N VAL 116.A O no hydrogen 2.964 N/A SER 129.A OG LYS 123.A O no hydrogen 3.224 N/A ARG 130.A N CYS 127.A O no hydrogen 3.100 N/A ARG 130.A NH1 ASP 108.A OD1 no hydrogen 2.632 N/A ARG 130.A NH2 ASP 108.A OD1 no hydrogen 3.337 N/A LEU 131.A N GLN 115.A OE1 no hydrogen 2.961 N/A ASP 132.A N LEU 9.A O no hydrogen 2.959 N/A LYS 135.A N ASP 132.A OD2 no hydrogen 3.008 N/A LYS 135.A NZ SER 12.A OG no hydrogen 2.786 N/A VAL 136.A N ASP 132.A O no hydrogen 3.067 N/A LEU 137.A N GLY 133.A O no hydrogen 2.962 N/A THR 138.A N HIS 134.A O no hydrogen 3.271 N/A THR 138.A OG1 HIS 134.A O no hydrogen 3.166 N/A THR 138.A OG1 LYS 135.A O no hydrogen 2.602 N/A ALA 139.A N LYS 135.A O no hydrogen 2.913 N/A LEU 140.A N VAL 136.A O no hydrogen 2.610 N/A GLN 141.A N LEU 137.A O no hydrogen 2.742 N/A ALA 142.A N THR 138.A O no hydrogen 2.936 N/A VAL 143.A N ALA 139.A O no hydrogen 3.377 N/A GLN 144.A N LEU 140.A O no hydrogen 2.931 N/A GLN 144.A NE2 PHE 178.A O no hydrogen 3.555 N/A GLY 145.A N GLN 141.A O no hydrogen 2.757 N/A LEU 146.A N ALA 142.A O no hydrogen 2.890 N/A LEU 147.A N VAL 143.A O no hydrogen 3.315 N/A LEU 147.A N GLN 144.A O no hydrogen 3.290 N/A VAL 148.A N GLY 145.A O no hydrogen 3.130 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.160 N/A LEU 152.A N GLN 234.A O no hydrogen 3.147 N/A SER 154.A N HIS 232.A O no hydrogen 2.963 N/A VAL 156.A N TYR 230.A O no hydrogen 2.825 N/A VAL 157.A N ALA 181.A O no hydrogen 2.941 N/A GLY 158.A N ASN 228.A O no hydrogen 2.706 N/A LEU 159.A N PHE 183.A O no hydrogen 3.017 N/A PHE 160.A N PHE 226.A O no hydrogen 3.104 N/A THR 161.A N ARG 185.A O no hydrogen 2.674 N/A THR 161.A OG1 ALA 162.A O no hydrogen 3.324 N/A THR 161.A OG1 ARG 185.A O no hydrogen 3.217 N/A ARG 166.A N ASP 365.A OD2.A no hydrogen 3.057 N/A ARG 166.A NE THR 24.A OG1 no hydrogen 3.317 N/A LEU 167.A N PHE 25.A O no hydrogen 2.817 N/A LYS 168.A N MET 363.A O no hydrogen 2.833 N/A LYS 168.A NZ GLY 361.A O no hydrogen 2.963 N/A LYS 168.A NZ GLY 364.A O no hydrogen 3.507 N/A GLN 169.A N PRO 23.A O no hydrogen 3.146 N/A PHE 171.A N LYS 168.A O no hydrogen 3.150 N/A VAL 172.A N LYS 168.A O no hydrogen 3.287 N/A GLU 173.A N GLN 169.A O no hydrogen 2.843 N/A SER 174.A N PHE 171.A O no hydrogen 2.850 N/A SER 174.A OG PRO 170.A O no hydrogen 2.704 N/A SER 174.A OG PHE 171.A O no hydrogen 2.838 N/A LEU 175.A N VAL 172.A O no hydrogen 3.341 N/A GLY 176.A N GLU 173.A O no hydrogen 3.400 N/A PHE 178.A N LEU 175.A O no hydrogen 2.795 N/A THR 179.A N LEU 175.A O no hydrogen 3.174 N/A THR 179.A OG1 THR 155.A O no hydrogen 2.567 N/A ALA 181.A N THR 179.A OG1 no hydrogen 2.970 N/A PHE 183.A N VAL 157.A O no hydrogen 2.900 N/A ARG 185.A N LEU 159.A O no hydrogen 3.265 N/A ARG 185.A NH1 PRO 184.A O no hydrogen 2.736 N/A ARG 185.A NH2 THR 34.A OG1 no hydrogen 3.078 N/A SER 186.A N VAL 28.A O no hydrogen 2.824 N/A SER 186.A OG PRO 27.A O no hydrogen 2.605 N/A LEU 187.A N THR 161.A O no hydrogen 3.130 N/A LEU 195.A N ASP 192.A OD1 no hydrogen 3.314 N/A ALA 197.A N PRO 193.A O no hydrogen 2.650 N/A GLN 198.A N VAL 194.A O no hydrogen 2.748 N/A LYS 199.A N LEU 195.A O no hydrogen 3.326 N/A ILE 200.A N ALA 196.A O no hydrogen 3.150 N/A ARG 202.A N GLN 198.A O no hydrogen 2.856 N/A PHE 203.A N LYS 199.A O no hydrogen 3.040 N/A VAL 204.A N ILE 200.A O no hydrogen 2.823 N/A GLN 205.A N ASN 201.A O no hydrogen 3.073 N/A ALA 206.A N PHE 203.A O no hydrogen 3.195 N/A VAL 207.A N PHE 203.A O no hydrogen 3.089 N/A THR 208.A N VAL 204.A O no hydrogen 2.861 N/A THR 208.A OG1 VAL 204.A O no hydrogen 2.599 N/A GLY 209.A N VAL 204.A O no hydrogen 3.349 N/A TRP 210.A N THR 208.A OG1 no hydrogen 3.067 N/A TRP 210.A NE1 GLU 39.A OE2 no hydrogen 3.075 N/A SER 220.A OG ASP 222.A OD2 no hydrogen 2.642 N/A THR 221.A OG1 SER 190.A O no hydrogen 3.014 N/A SER 223.A OG SER 220.A O no hydrogen 3.490 N/A THR 224.A N ARG 369.A O no hydrogen 3.085 N/A THR 224.A OG1 ARG 369.A O no hydrogen 3.462 N/A LEU 225.A N ARG 369.A O no hydrogen 3.414 N/A PHE 226.A N PHE 160.A O no hydrogen 3.164 N/A PHE 227.A N GLU 372.A O no hydrogen 3.290 N/A ASN 228.A N GLY 158.A O no hydrogen 2.863 N/A ASN 228.A ND2 TYR 230.A OH no hydrogen 3.208 N/A ASN 228.A ND2 GLU 372.A OE1 no hydrogen 3.556 N/A THR 229.A N LEU 374.A O no hydrogen 2.857 N/A THR 229.A OG1 THR 98.A OG1 no hydrogen 3.126 N/A TYR 230.A N VAL 156.A O no hydrogen 2.869 N/A VAL 231.A N SER 376.A O no hydrogen 2.670 N/A HIS 232.A N SER 154.A O no hydrogen 2.762 N/A HIS 232.A ND1 GLU 39.A OE1 no hydrogen 3.011 N/A HIS 232.A NE2 GLU 380.A OE1 no hydrogen 3.077 N/A PHE 233.A N LEU 378.A O no hydrogen 2.878 N/A GLN 234.A N LEU 152.A O no hydrogen 3.154 N/A GLN 234.A NE2 GLN 382.A OE1 no hydrogen 2.795 N/A GLY 235.A N GLU 380.A O no hydrogen 2.655 N/A MET 237.A N GLN 382.A O no hydrogen 3.311 N/A GLY 239.A N GLU 385.A OE1 no hydrogen 3.371 N/A SER 241.A N SER 263.A O no hydrogen 2.730 N/A SER 241.A OG SER 263.A O no hydrogen 3.321 N/A GLN 242.A NE2 GLN 332.A OE1 no hydrogen 3.124 N/A LEU 243.A N MET 261.A O no hydrogen 3.149 N/A HIS 247.A N VAL 259.A O no hydrogen 2.721 N/A PHE 249.A N VAL 257.A O no hydrogen 3.233 N/A TRP 250.A N SER 393.A O no hydrogen 2.771 N/A SER 254.A OG ASP 252.A OD2 no hydrogen 2.669 N/A VAL 259.A N HIS 247.A O no hydrogen 2.602 N/A LEU 262.A N LEU 330.A O no hydrogen 2.737 N/A SER 263.A N SER 241.A O no hydrogen 2.788 N/A SER 263.A OG LEU 328.A O no hydrogen 3.026 N/A SER 263.A OG THR 329.A OG1 no hydrogen 3.166 N/A GLY 264.A N LEU 328.A O no hydrogen 3.072 N/A GLY 266.A N ILE 326.A O no hydrogen 3.289 N/A GLN 269.A NE2 PRO 321.A O no hydrogen 3.673 N/A HIS 270.A ND1 THR 281.A OG1 no hydrogen 3.071 N/A TRP 271.A N VAL 280.A O no hydrogen 3.371 N/A ASP 273.A N PHE 278.A O no hydrogen 3.182 N/A GLN 275.A N ASP 273.A OD1 no hydrogen 3.269 N/A ASN 276.A ND2 ASP 273.A OD2 no hydrogen 3.182 N/A ASN 277.A N ASP 273.A O no hydrogen 2.939 N/A SER 279.A N GLN 295.A O no hydrogen 2.781 N/A SER 279.A OG GLN 295.A O no hydrogen 3.318 N/A VAL 280.A N TRP 271.A O no hydrogen 3.033 N/A THR 281.A N LEU 293.A O no hydrogen 3.009 N/A THR 281.A OG1 HIS 270.A ND1 no hydrogen 3.071 N/A ARG 282.A N GLN 269.A O no hydrogen 3.070 N/A VAL 283.A N LEU 291.A O no hydrogen 3.117 N/A LEU 285.A N VAL 289.A O no hydrogen 3.090 N/A SER 288.A OG GLU 402.A OE1 no hydrogen 3.437 N/A THR 290.A N TYR 401.A O no hydrogen 2.788 N/A THR 290.A OG1 SER 288.A O no hydrogen 3.411 N/A LEU 291.A N VAL 283.A O no hydrogen 2.926 N/A LEU 292.A N ALA 399.A O no hydrogen 2.716 N/A LEU 293.A N THR 281.A O no hydrogen 3.031 N/A ILE 294.A N LEU 397.A O no hydrogen 2.789 N/A GLN 295.A N SER 279.A O no hydrogen 2.775 N/A CYS 298.A SG SER 300.A OG no hydrogen 3.427 N/A ASP 301.A N CYS 298.A O no hydrogen 3.171 N/A LEU 302.A N ALA 299.A O no hydrogen 3.292 N/A ARG 304.A NE ASP 301.A OD2 no hydrogen 2.828 N/A ARG 304.A NH2 ASN 276.A O no hydrogen 2.778 N/A ARG 304.A NH2 ASP 301.A OD1 no hydrogen 3.257 N/A ARG 304.A NH2 ASP 301.A OD2 no hydrogen 3.515 N/A VAL 305.A N ASP 301.A O no hydrogen 3.149 N/A GLU 306.A N LEU 302.A O no hydrogen 2.846 N/A VAL 307.A N ASP 303.A O no hydrogen 3.101 N/A LEU 308.A N ARG 304.A O no hydrogen 2.818 N/A VAL 309.A N VAL 305.A O no hydrogen 2.591 N/A GLN 311.A N GLU 306.A O no hydrogen 3.376 N/A HIS 312.A N PHE 310.A O no hydrogen 2.289 N/A ILE 318.A N LEU 315.A O no hydrogen 3.291 N/A ARG 324.A N PHE 268.A O no hydrogen 2.960 N/A ILE 326.A N GLY 266.A O no hydrogen 3.327 N/A THR 329.A N VAL 390.A O no hydrogen 3.035 N/A THR 329.A OG1 SER 263.A OG no hydrogen 3.166 N/A LEU 330.A N LEU 262.A O no hydrogen 2.983 N/A GLN 332.A N PRO 260.A O no hydrogen 3.081 N/A GLN 332.A NE2 GLN 332.A O no hydrogen 3.548 N/A ARG 336.A NE LYS 211.A O no hydrogen 3.106 N/A ARG 336.A NH1 GLU 334.A OE2 no hydrogen 2.922 N/A ARG 336.A NH2 GLU 334.A OE2 no hydrogen 3.330 N/A GLY 337.A N ILE 377.A O no hydrogen 3.170 N/A SER 338.A OG ASN 375.A O no hydrogen 3.531 N/A SER 338.A OG SER 376.A OG no hydrogen 3.360 N/A TYR 339.A N ASN 375.A O no hydrogen 3.235 N/A LEU 341.A N VAL 373.A O no hydrogen 2.752 N/A GLN 342.A N ASN 340.A OD1 no hydrogen 3.257 N/A GLN 342.A NE2 LEU 354.A O no hydrogen 3.303 N/A ASP 343.A N ASN 340.A O no hydrogen 2.806 N/A LEU 345.A N LEU 341.A O no hydrogen 2.919 N/A ALA 346.A N GLN 342.A O no hydrogen 3.031 N/A GLN 347.A N ASP 343.A O no hydrogen 2.904 N/A ALA 348.A N LEU 344.A O no hydrogen 2.875 N/A LYS 349.A N ALA 346.A O no hydrogen 2.940 N/A LEU 350.A N LEU 345.A O no hydrogen 2.642 N/A LEU 353.A N LEU 350.A O no hydrogen 3.325 N/A ALA 358.A N GLY 355.A O no hydrogen 3.294 N/A ASN 359.A N THR 110.A OG1 no hydrogen 2.905 N/A LEU 360.A N ASN 367.A OD1 no hydrogen 3.189 N/A MET 363.A N LEU 360.A O no hydrogen 3.180 N/A ASP 365.A N ARG 166.A O no hydrogen 2.921 N/A THR 366.A OG1 ASP 365.A OD2.A no hydrogen 3.218 N/A ASN 367.A ND2 ALA 358.A O no hydrogen 3.207 N/A ARG 369.A N THR 224.A OG1 no hydrogen 2.705 N/A GLY 371.A N LEU 225.A O no hydrogen 2.914 N/A VAL 373.A N ASN 340.A OD1 no hydrogen 2.830 N/A ASN 375.A N TYR 339.A O no hydrogen 3.191 N/A ASN 375.A ND2 LEU 374.A O no hydrogen 2.679 N/A SER 376.A N THR 229.A O no hydrogen 2.931 N/A SER 376.A OG SER 338.A OG no hydrogen 3.360 N/A ILE 377.A N GLY 337.A O no hydrogen 3.009 N/A LEU 378.A N VAL 231.A O no hydrogen 3.091 N/A LEU 379.A N ILE 335.A O no hydrogen 2.864 N/A GLU 380.A N PHE 233.A O no hydrogen 2.886 N/A LEU 381.A N LEU 333.A O no hydrogen 3.079 N/A GLN 382.A N GLY 235.A O no hydrogen 2.833 N/A GLY 384.A N PHE 240.A O no hydrogen 2.946 N/A LEU 392.A N THR 329.A O no hydrogen 2.645 N/A SER 393.A N THR 391.A O no hydrogen 2.897 N/A SER 393.A OG THR 391.A O no hydrogen 3.508 N/A PHE 396.A N VAL 414.A O no hydrogen 3.383 N/A LEU 397.A N ILE 294.A O no hydrogen 2.731 N/A PHE 398.A N GLY 412.A O no hydrogen 3.128 N/A ALA 399.A N LEU 292.A O no hydrogen 2.830 N/A ILE 400.A N PHE 410.A O no hydrogen 2.571 N/A TYR 401.A N THR 290.A O no hydrogen 2.744 N/A GLU 402.A N ALA 407.A O no hydrogen 2.868 N/A SER 405.A N GLU 402.A OE2 no hydrogen 3.305 N/A ALA 407.A N SER 405.A OG no hydrogen 3.282 N/A LEU 408.A N ASN 69.A OD1 no hydrogen 3.006 N/A HIS 409.A N ILE 400.A O no hydrogen 2.919 N/A PHE 410.A N ILE 400.A O no hydrogen 3.411 N/A LEU 411.A N LEU 90.A O no hydrogen 3.130 N/A GLY 412.A N PHE 398.A O no hydrogen 2.940 N/A ARG 413.A N ALA 88.A O no hydrogen 2.667 N/A VAL 414.A N PHE 396.A O no hydrogen 3.019 N/A