Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8w6o_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 8.A N LEU 4.A O no hydrogen 2.893 N/A THR 9.A OG1 PHE 5.A O no hydrogen 3.038 N/A VAL 10.A N VAL 6.A O no hydrogen 2.951 N/A LEU 11.A N VAL 7.A O no hydrogen 3.277 N/A ILE 18.A N LEU 16.A O no hydrogen 2.553 N/A HIS 21.A N VAL 19.A O no hydrogen 2.792 N/A THR 22.A OG1 GLU 24.A OE1 no hydrogen 3.075 N/A LYS 23.A NZ PHE 59.A O no hydrogen 3.502 N/A LYS 23.A NZ GLY 60.A O no hydrogen 3.416 N/A ALA 25.A N THR 22.A O no hydrogen 3.225 N/A GLU 26.A N LYS 23.A O no hydrogen 3.180 N/A CYS 27.A SG GLY 309.A O no hydrogen 3.248 N/A VAL 33.A N TYR 29.A O no hydrogen 3.233 N/A VAL 34.A N THR 30.A O no hydrogen 3.397 N/A ALA 35.A N LEU 31.A O no hydrogen 2.943 N/A THR 36.A N PHE 32.A O no hydrogen 2.892 N/A THR 36.A OG1 PHE 32.A O no hydrogen 2.349 N/A PHE 37.A N VAL 33.A O no hydrogen 2.968 N/A TRP 38.A N VAL 34.A O no hydrogen 2.916 N/A LEU 39.A N ALA 35.A O no hydrogen 2.933 N/A THR 40.A N THR 36.A O no hydrogen 2.928 N/A THR 40.A OG1 THR 36.A O no hydrogen 2.958 N/A GLU 41.A N PHE 37.A O no hydrogen 3.099 N/A LEU 45.A N LEU 43.A O no hydrogen 2.679 N/A SER 46.A N PRO 44.A O no hydrogen 2.720 N/A SER 46.A OG PRO 44.A O no hydrogen 3.440 N/A LEU 51.A N THR 48.A O no hydrogen 3.220 N/A LEU 54.A N LEU 51.A O no hydrogen 3.177 N/A MET 55.A N LEU 51.A O no hydrogen 2.906 N/A LEU 56.A N PRO 52.A O no hydrogen 3.314 N/A GLY 60.A N PRO 57.A O no hydrogen 3.357 N/A ILE 61.A N LEU 56.A O no hydrogen 3.041 N/A LEU 68.A N LYS 64.A O no hydrogen 3.462 N/A LEU 69.A N ASP 65.A O no hydrogen 2.971 N/A LEU 70.A N PHE 66.A O no hydrogen 2.902 N/A ILE 71.A N HIS 67.A O no hydrogen 2.916 N/A GLY 72.A N LEU 68.A O no hydrogen 2.991 N/A VAL 73.A N LEU 69.A O no hydrogen 2.987 N/A ILE 74.A N LEU 70.A O no hydrogen 2.925 N/A CYS 75.A N ILE 71.A O no hydrogen 2.982 N/A CYS 75.A SG ILE 71.A O no hydrogen 3.224 N/A CYS 75.A SG GLY 72.A O no hydrogen 3.210 N/A CYS 75.A SG GLY 264.A O no hydrogen 3.201 N/A LEU 76.A N GLY 72.A O no hydrogen 3.026 N/A ALA 77.A N VAL 73.A O no hydrogen 2.928 N/A THR 78.A N ILE 74.A O no hydrogen 2.886 N/A THR 78.A OG1 ILE 74.A O no hydrogen 2.547 N/A SER 79.A OG THR 239.A OG1 no hydrogen 2.941 N/A ILE 80.A N LEU 76.A O no hydrogen 3.012 N/A GLU 81.A N ALA 77.A O no hydrogen 2.918 N/A LYS 82.A N THR 78.A O no hydrogen 2.921 N/A LYS 82.A NZ LEU 282.A O no hydrogen 3.263 N/A LYS 82.A NZ GLU 287.A OE1 no hydrogen 2.897 N/A LYS 82.A NZ GLU 287.A OE2 no hydrogen 2.812 N/A TRP 83.A N SER 79.A O no hydrogen 3.430 N/A TRP 83.A NE1 LEU 282.A O no hydrogen 3.089 N/A LEU 85.A N ILE 80.A O no hydrogen 3.288 N/A ARG 88.A NH1 GLY 230.A O no hydrogen 2.740 N/A ARG 88.A NH2 LEU 229.A O no hydrogen 3.453 N/A ARG 88.A NH2 GLY 230.A O no hydrogen 3.455 N/A ILE 89.A N LEU 85.A O no hydrogen 2.980 N/A ALA 90.A N HIS 86.A O no hydrogen 2.896 N/A LEU 91.A N LYS 87.A O no hydrogen 2.901 N/A LYS 92.A N ARG 88.A O no hydrogen 2.909 N/A LYS 92.A N ILE 89.A O no hydrogen 3.295 N/A MET 93.A N ILE 89.A O no hydrogen 2.963 N/A VAL 94.A N ALA 90.A O no hydrogen 3.239 N/A ASN 100.A ND2 ALA 102.A O no hydrogen 3.396 N/A THR 105.A OG1 GLN 213.A OE1 no hydrogen 3.189 N/A PHE 108.A N LEU 104.A O no hydrogen 3.278 N/A MET 109.A N THR 105.A O no hydrogen 2.924 N/A SER 110.A N LEU 106.A O no hydrogen 2.876 N/A SER 110.A OG LEU 106.A O no hydrogen 2.984 N/A SER 111.A N GLY 107.A O no hydrogen 2.960 N/A SER 111.A OG ALA 90.A O no hydrogen 3.456 N/A SER 111.A OG GLY 107.A O no hydrogen 2.770 N/A ALA 113.A N MET 109.A O no hydrogen 2.928 N/A PHE 114.A N SER 110.A O no hydrogen 2.929 N/A LEU 115.A N SER 111.A O no hydrogen 2.918 N/A SER 116.A N THR 112.A O no hydrogen 2.920 N/A SER 116.A OG THR 112.A O no hydrogen 2.357 N/A SER 116.A OG ALA 113.A O no hydrogen 3.549 N/A SER 116.A OG SER 157.A O no hydrogen 3.260 N/A MET 117.A N PHE 114.A O no hydrogen 3.431 N/A LEU 119.A N LEU 115.A O no hydrogen 3.080 N/A SER 120.A OG SER 123.A OG no hydrogen 2.967 N/A SER 123.A N SER 120.A OG no hydrogen 3.177 N/A SER 123.A OG SER 120.A OG no hydrogen 2.967 N/A THR 124.A N SER 120.A O no hydrogen 3.116 N/A THR 124.A OG1 SER 120.A O no hydrogen 3.300 N/A THR 124.A OG1 ASN 121.A O no hydrogen 3.155 N/A ALA 125.A N ASN 121.A O no hydrogen 2.939 N/A ALA 126.A N THR 122.A O no hydrogen 3.140 N/A MET 127.A N THR 124.A O no hydrogen 3.174 N/A VAL 128.A N THR 124.A O no hydrogen 3.109 N/A ALA 132.A N VAL 128.A O no hydrogen 2.855 N/A GLU 133.A N MET 129.A O no hydrogen 2.936 N/A ALA 134.A N PRO 130.A O no hydrogen 2.940 N/A VAL 135.A N ILE 131.A O no hydrogen 2.951 N/A VAL 136.A N ALA 132.A O no hydrogen 2.918 N/A GLN 137.A N GLU 133.A O no hydrogen 2.899 N/A GLN 138.A N ALA 134.A O no hydrogen 2.930 N/A ILE 139.A N VAL 135.A O no hydrogen 2.922 N/A ILE 140.A N VAL 136.A O no hydrogen 3.251 N/A THR 145.A OG1 LYS 141.A O no hydrogen 2.957 N/A LYS 147.A NZ ASP 410.A OD2 no hydrogen 3.258 N/A LEU 148.A N VAL 144.A O no hydrogen 2.975 N/A THR 149.A N THR 145.A O no hydrogen 2.901 N/A THR 149.A OG1 THR 145.A O no hydrogen 2.655 N/A CYS 150.A N ARG 146.A O no hydrogen 2.927 N/A CYS 150.A SG ARG 146.A O no hydrogen 3.209 N/A CYS 150.A SG VAL 400.A O no hydrogen 4.044 N/A LEU 151.A N LYS 147.A O no hydrogen 2.960 N/A CYS 152.A N LEU 148.A O no hydrogen 2.941 N/A CYS 152.A SG THR 149.A O no hydrogen 3.213 N/A ILE 153.A N THR 149.A O no hydrogen 3.018 N/A ALA 154.A N CYS 150.A O no hydrogen 2.996 N/A TYR 155.A N LEU 151.A O no hydrogen 2.905 N/A TYR 155.A OH PHE 388.A O no hydrogen 2.603 N/A SER 156.A N CYS 152.A O no hydrogen 2.971 N/A SER 156.A OG CYS 152.A O no hydrogen 2.259 N/A SER 156.A OG ILE 153.A O no hydrogen 3.407 N/A SER 157.A N ILE 153.A O no hydrogen 3.028 N/A SER 157.A OG ILE 153.A O no hydrogen 3.370 N/A SER 157.A OG ALA 154.A O no hydrogen 3.253 N/A THR 158.A OG1 ALA 154.A O no hydrogen 3.037 N/A ILE 159.A N TYR 155.A O no hydrogen 2.942 N/A GLY 160.A N SER 156.A O no hydrogen 2.908 N/A GLY 161.A N THR 158.A O no hydrogen 3.112 N/A LEU 162.A N ILE 159.A O no hydrogen 3.339 N/A THR 163.A N SER 197.A OG no hydrogen 3.099 N/A THR 163.A OG1 LEU 162.A O no hydrogen 2.538 N/A THR 164.A OG1 MET 117.A O no hydrogen 3.036 N/A THR 164.A OG1 LEU 162.A O no hydrogen 3.482 N/A ASN 171.A N THR 168.A O no hydrogen 3.204 N/A ASN 171.A ND2 THR 164.A O no hydrogen 2.726 N/A LEU 172.A N THR 168.A O no hydrogen 3.193 N/A ILE 173.A N SER 169.A O no hydrogen 2.929 N/A ALA 175.A N ASN 171.A O no hydrogen 2.968 N/A GLU 176.A N LEU 172.A O no hydrogen 2.934 N/A TYR 177.A N ILE 173.A O no hydrogen 2.865 N/A TYR 177.A OH SER 363.A OG no hydrogen 2.767 N/A PHE 178.A N PHE 174.A O no hydrogen 2.882 N/A ASN 179.A N ALA 175.A O no hydrogen 2.936 N/A THR 180.A N GLU 176.A O no hydrogen 3.452 N/A THR 180.A OG1 GLU 176.A O no hydrogen 2.929 N/A ARG 181.A NH2 GLU 367.A OE1 no hydrogen 3.414 N/A TYR 182.A N THR 180.A O no hydrogen 2.711 N/A TYR 182.A OH GLU 367.A OE2 no hydrogen 2.483 N/A CYS 185.A N TYR 182.A O no hydrogen 3.356 N/A ASN 189.A N SER 192.A OG no hydrogen 2.923 N/A SER 192.A N ASN 189.A OD1 no hydrogen 3.278 N/A SER 192.A OG CYS 187.A O no hydrogen 3.262 N/A SER 192.A OG ASN 189.A O no hydrogen 3.388 N/A SER 192.A OG ASN 189.A OD1 no hydrogen 2.529 N/A TRP 193.A N ASN 189.A O no hydrogen 3.221 N/A PHE 194.A N PHE 190.A O no hydrogen 3.012 N/A THR 195.A N GLY 191.A O no hydrogen 2.907 N/A THR 195.A OG1 GLY 191.A O no hydrogen 2.325 N/A SER 197.A N TRP 193.A O no hydrogen 2.982 N/A PHE 198.A N PHE 194.A O no hydrogen 2.935 N/A ALA 201.A N SER 197.A O no hydrogen 3.195 N/A LEU 202.A N PHE 198.A O no hydrogen 3.012 N/A ILE 204.A N ALA 200.A O no hydrogen 2.977 N/A LEU 205.A N ALA 201.A O no hydrogen 2.899 N/A LEU 206.A N LEU 202.A O no hydrogen 3.020 N/A LEU 207.A N ILE 203.A O no hydrogen 2.942 N/A SER 208.A N ILE 204.A O no hydrogen 2.900 N/A SER 208.A OG ILE 204.A O no hydrogen 2.647 N/A TRP 209.A N LEU 205.A O no hydrogen 2.968 N/A ILE 210.A N LEU 206.A O no hydrogen 3.038 N/A TRP 211.A N LEU 207.A O no hydrogen 2.915 N/A TRP 211.A NE1 ALA 414.A O no hydrogen 3.050 N/A LEU 212.A N SER 208.A O no hydrogen 2.930 N/A GLN 213.A N TRP 209.A O no hydrogen 2.959 N/A TRP 214.A N ILE 210.A O no hydrogen 2.962 N/A LEU 215.A N TRP 211.A O no hydrogen 2.894 N/A PHE 216.A N LEU 212.A O no hydrogen 2.986 N/A LEU 217.A N GLN 213.A O no hydrogen 3.236 N/A LYS 223.A N ALA 219.A O no hydrogen 3.374 N/A GLU 225.A N ILE 222.A O no hydrogen 3.225 N/A TYR 226.A N LYS 223.A O no hydrogen 3.164 N/A GLN 227.A N LYS 223.A O no hydrogen 2.917 N/A ARG 233.A N GLU 236.A OE2 no hydrogen 3.348 N/A TYR 234.A OH PRO 271.A O no hydrogen 3.367 N/A ILE 237.A N ARG 233.A O no hydrogen 3.296 N/A VAL 238.A N TYR 234.A O no hydrogen 3.039 N/A THR 239.A OG1 SER 79.A OG no hydrogen 2.941 N/A THR 239.A OG1 GLN 235.A O no hydrogen 2.580 N/A LEU 240.A N GLU 236.A O no hydrogen 2.855 N/A VAL 241.A N ILE 237.A O no hydrogen 2.960 N/A LEU 242.A N VAL 238.A O no hydrogen 2.996 N/A PHE 243.A N THR 239.A O no hydrogen 2.896 N/A ILE 244.A N LEU 240.A O no hydrogen 2.930 N/A ILE 245.A N VAL 241.A O no hydrogen 2.961 N/A MET 246.A N LEU 242.A O no hydrogen 2.953 N/A ALA 247.A N PHE 243.A O no hydrogen 2.910 N/A LEU 248.A N ILE 244.A O no hydrogen 2.960 N/A LEU 249.A N ILE 245.A O no hydrogen 2.950 N/A TRP 250.A N MET 246.A O no hydrogen 2.956 N/A THR 255.A OG1 PHE 253.A O no hydrogen 3.326 N/A THR 255.A OG1 THR 258.A OG1 no hydrogen 2.709 N/A THR 258.A N THR 255.A OG1 no hydrogen 3.417 N/A THR 258.A OG1 PHE 253.A O no hydrogen 2.567 N/A THR 258.A OG1 THR 255.A OG1 no hydrogen 2.709 N/A ALA 260.A N ASP 256.A O no hydrogen 2.918 N/A LEU 261.A N SER 257.A O no hydrogen 2.908 N/A LEU 262.A N THR 258.A O no hydrogen 2.876 N/A ILE 263.A N VAL 259.A O no hydrogen 3.409 N/A LEU 265.A N LEU 261.A O no hydrogen 3.359 N/A LEU 266.A N ILE 263.A O no hydrogen 3.417 N/A PHE 267.A N GLY 264.A O no hydrogen 3.382 N/A LEU 269.A N LEU 266.A O no hydrogen 3.371 N/A ILE 270.A N LEU 266.A O no hydrogen 3.051 N/A ALA 272.A N SER 280.A O no hydrogen 3.007 N/A THR 274.A OG1 THR 274.A O no hydrogen 2.618 N/A LEU 282.A N PHE 267.A O no hydrogen 3.254 N/A ILE 283.A N PHE 267.A O no hydrogen 3.474 N/A THR 284.A N GLU 287.A OE1 no hydrogen 3.225 N/A GLN 289.A N TRP 285.A O no hydrogen 2.871 N/A SER 290.A N LYS 286.A O no hydrogen 2.934 N/A SER 290.A OG LYS 286.A O no hydrogen 3.357 N/A SER 290.A OG GLU 287.A O no hydrogen 2.501 N/A PHE 291.A N GLU 287.A O no hydrogen 2.957 N/A MET 292.A N PHE 288.A O no hydrogen 2.883 N/A TRP 294.A NE1 GLN 289.A O no hydrogen 2.886 N/A LEU 299.A N ASP 295.A O no hydrogen 2.902 N/A VAL 300.A N ILE 296.A O no hydrogen 2.957 N/A GLY 301.A N ALA 297.A O no hydrogen 2.912 N/A GLY 302.A N ILE 298.A O no hydrogen 2.906 N/A GLY 303.A N LEU 299.A O no hydrogen 2.964 N/A PHE 304.A N VAL 300.A O no hydrogen 2.920 N/A ALA 305.A N GLY 301.A O no hydrogen 2.915 N/A LEU 306.A N GLY 302.A O no hydrogen 2.941 N/A ALA 307.A N GLY 303.A O no hydrogen 2.913 N/A ASP 308.A N PHE 304.A O no hydrogen 2.913 N/A GLY 309.A N ALA 305.A O no hydrogen 2.932 N/A CYS 310.A SG LEU 306.A O no hydrogen 3.528 N/A GLU 311.A N ASP 308.A O no hydrogen 3.098 N/A SER 313.A OG LYS 23.A O no hydrogen 2.921 N/A LEU 315.A N SER 313.A O no hydrogen 2.569 N/A SER 316.A N CYS 310.A O no hydrogen 3.332 N/A SER 316.A OG CYS 310.A O no hydrogen 2.530 N/A ILE 319.A N LEU 315.A O no hydrogen 2.924 N/A ASN 321.A N LYS 317.A O no hydrogen 2.957 N/A LEU 326.A N LEU 323.A O no hydrogen 3.256 N/A LEU 333.A N PRO 330.A O no hydrogen 3.068 N/A ILE 334.A N PRO 330.A O no hydrogen 3.358 N/A LEU 336.A N TRP 332.A O no hydrogen 2.965 N/A ILE 337.A N LEU 333.A O no hydrogen 2.933 N/A SER 338.A N ILE 334.A O no hydrogen 2.928 N/A SER 338.A OG ILE 334.A O no hydrogen 3.167 N/A SER 338.A OG ILE 335.A O no hydrogen 3.432 N/A SER 339.A N ILE 335.A O no hydrogen 2.876 N/A SER 339.A OG ILE 335.A O no hydrogen 2.629 N/A LEU 340.A N LEU 336.A O no hydrogen 3.003 N/A VAL 342.A N SER 338.A O no hydrogen 2.950 N/A THR 343.A N SER 339.A O no hydrogen 2.950 N/A THR 343.A OG1 CYS 383.A O no hydrogen 3.304 N/A THR 343.A OG1 ASN 419.A OD1 no hydrogen 2.911 N/A SER 344.A N LEU 340.A O no hydrogen 2.926 N/A SER 344.A OG LEU 340.A O no hydrogen 2.783 N/A LEU 345.A N MET 341.A O no hydrogen 2.949 N/A THR 346.A OG1 THR 384.A O no hydrogen 2.957 N/A VAL 348.A N LEU 345.A O no hydrogen 3.256 N/A ALA 349.A N LEU 345.A O no hydrogen 3.137 N/A THR 354.A N SER 350.A O no hydrogen 3.241 N/A THR 354.A OG1 SER 350.A O no hydrogen 2.930 N/A THR 356.A N PRO 352.A O no hydrogen 2.942 N/A THR 356.A OG1 PRO 352.A O no hydrogen 2.351 N/A LEU 357.A N ALA 353.A O no hydrogen 2.958 N/A PHE 358.A N THR 354.A O no hydrogen 2.958 N/A LEU 359.A N ILE 355.A O no hydrogen 2.955 N/A LEU 362.A N PHE 358.A O no hydrogen 3.254 N/A SER 363.A N LEU 359.A O no hydrogen 2.984 N/A SER 363.A OG TYR 177.A OH no hydrogen 2.767 N/A SER 363.A OG LEU 359.A O no hydrogen 2.842 N/A ALA 366.A N LEU 362.A O no hydrogen 3.229 N/A ALA 368.A N PRO 364.A O no hydrogen 2.939 N/A ILE 369.A N LEU 365.A O no hydrogen 3.075 N/A VAL 371.A N ALA 366.A O no hydrogen 3.066 N/A ASN 372.A ND2 THR 442.A O no hydrogen 2.940 N/A LEU 374.A N ASN 372.A OD1 no hydrogen 3.293 N/A ILE 376.A N PRO 373.A O no hydrogen 3.243 N/A LEU 377.A N PRO 373.A O no hydrogen 2.943 N/A ILE 378.A N LEU 374.A O no hydrogen 2.955 N/A SER 380.A OG ILE 376.A O no hydrogen 2.967 N/A THR 381.A N LEU 377.A O no hydrogen 3.371 N/A THR 381.A OG1 THR 170.A O no hydrogen 3.486 N/A LEU 382.A N ILE 378.A O no hydrogen 3.016 N/A CYS 383.A N PRO 379.A O no hydrogen 2.900 N/A THR 384.A N SER 380.A O no hydrogen 3.292 N/A THR 384.A OG1 SER 380.A O no hydrogen 2.304 N/A PHE 386.A N CYS 383.A O no hydrogen 3.395 N/A ALA 387.A N SER 385.A O no hydrogen 2.718 N/A LEU 389.A N GLU 347.A OE2 no hydrogen 3.208 N/A VAL 392.A N LEU 390.A O no hydrogen 2.783 N/A ASN 394.A ND2 ALA 387.A O no hydrogen 3.668 N/A ASN 397.A ND2 ALA 387.A O no hydrogen 3.215 N/A ILE 399.A N PRO 395.A O no hydrogen 2.933 N/A SER 402.A N ILE 399.A O no hydrogen 3.337 N/A SER 402.A OG ILE 399.A O no hydrogen 2.798 N/A VAL 412.A N VAL 408.A O no hydrogen 2.969 N/A LYS 413.A N ILE 409.A O no hydrogen 2.936 N/A ALA 414.A N ASP 410.A O no hydrogen 2.946 N/A GLY 415.A N MET 411.A O no hydrogen 2.868 N/A LEU 416.A N VAL 412.A O no hydrogen 3.016 N/A ASN 419.A N GLY 415.A O no hydrogen 2.919 N/A ASN 419.A ND2 PHE 386.A O no hydrogen 3.178 N/A ILE 420.A N LEU 416.A O no hydrogen 2.976 N/A VAL 421.A N GLY 417.A O no hydrogen 2.958 N/A GLY 422.A N VAL 418.A O no hydrogen 2.918 N/A VAL 423.A N ASN 419.A O no hydrogen 3.004 N/A ALA 424.A N ILE 420.A O no hydrogen 2.980 N/A VAL 425.A N VAL 421.A O no hydrogen 2.920 N/A VAL 426.A N GLY 422.A O no hydrogen 2.999 N/A MET 427.A N VAL 423.A O no hydrogen 2.951 N/A LEU 428.A N ALA 424.A O no hydrogen 2.940 N/A GLY 429.A N VAL 425.A O no hydrogen 2.885 N/A ILE 430.A N VAL 426.A O no hydrogen 2.997 N/A CYS 431.A SG MET 427.A O no hydrogen 3.345 N/A CYS 431.A SG LEU 428.A O no hydrogen 3.284 N/A THR 432.A N GLY 429.A O no hydrogen 3.150 N/A THR 432.A OG1 LEU 428.A O no hydrogen 2.284 N/A TRP 433.A N GLY 429.A O no hydrogen 3.121 N/A TRP 433.A NE1 PHE 196.A O no hydrogen 3.257 N/A ILE 434.A N GLY 429.A O no hydrogen 3.133 N/A LEU 440.A N VAL 435.A O no hydrogen 3.425 N/A THR 442.A OG1 ASP 439.A O no hydrogen 3.409 N/A THR 442.A OG1 ASP 439.A OD2 no hydrogen 2.835 N/A