Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d6w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 1.A N ILE 330.A O no hydrogen 3.242 N/A TYR 1.A N ASP 331.A O no hydrogen 3.458 N/A LEU 2.A N ILE 330.A O no hydrogen 3.045 N/A ILE 4.A N MET 328.A O no hydrogen 3.158 N/A PHE 6.A N VAL 326.A O no hydrogen 3.022 N/A GLU 8.A N ARG 324.A O no hydrogen 3.043 N/A LEU 12.A N GLN 355.A OE1 no hydrogen 2.572 N/A LYS 15.A N PHE 320.A O no hydrogen 3.004 N/A VAL 17.A N LEU 318.A O no hydrogen 2.928 N/A THR 18.A OG1 THR 21.A OG1 no hydrogen 2.489 N/A THR 21.A OG1 THR 18.A O no hydrogen 2.563 N/A THR 21.A OG1 THR 18.A OG1 no hydrogen 2.489 N/A ARG 22.A NH2 ASP 284.A OD1 no hydrogen 2.199 N/A ARG 22.A NH2 GLU 287.A OE1 no hydrogen 3.141 N/A GLN 29.A N TYR 183.A O no hydrogen 3.278 N/A GLU 31.A N VAL 181.A O no hydrogen 2.936 N/A SER 32.A OG THR 180.A OG1 no hydrogen 3.403 N/A PHE 33.A N VAL 179.A O no hydrogen 3.149 N/A SER 35.A N LEU 177.A O no hydrogen 2.663 N/A SER 35.A OG SER 229.A O no hydrogen 3.037 N/A SER 36.A OG THR 175.A O no hydrogen 3.395 N/A THR 37.A N THR 175.A O no hydrogen 2.804 N/A THR 37.A OG1 TRP 227.A O no hydrogen 3.051 N/A ILE 39.A N SER 173.A O no hydrogen 2.933 N/A THR 42.A N GLY 171.A O no hydrogen 3.183 N/A THR 42.A OG1 SER 173.A OG no hydrogen 3.082 N/A LYS 45.A N THR 42.A O no hydrogen 3.370 N/A SER 46.A N PRO 43.A O no hydrogen 2.953 N/A SER 46.A OG PRO 43.A O no hydrogen 3.258 N/A SER 46.A OG HIS 125.A NE2 no hydrogen 2.741 N/A SER 46.A OG VAL 126.A O no hydrogen 3.031 N/A PHE 49.A N ILE 160.A O no hydrogen 2.751 N/A LEU 50.A N THR 122.A O no hydrogen 2.519 N/A CYS 51.A N VAL 158.A O no hydrogen 2.713 N/A HIS 52.A N MET 120.A O no hydrogen 2.589 N/A HIS 52.A ND1 SER 157.A OG no hydrogen 2.995 N/A ALA 53.A N SER 156.A O no hydrogen 3.274 N/A ALA 54.A N VAL 118.A O no hydrogen 3.059 N/A LYS 55.A N HIS 75.A O no hydrogen 2.965 N/A LYS 55.A NZ GLU 115.A OE1 no hydrogen 3.091 N/A TRP 56.A N PHE 116.A O no hydrogen 2.865 N/A VAL 57.A N SER 73.A O no hydrogen 3.071 N/A THR 58.A N SER 114.A O no hydrogen 3.105 N/A THR 58.A OG1 PRO 102.A O no hydrogen 3.019 N/A THR 59.A N THR 71.A O no hydrogen 3.306 N/A THR 59.A OG1 ASP 113.A OD2 no hydrogen 3.559 N/A ASP 61.A N TYR 69.A O no hydrogen 3.278 N/A THR 71.A N THR 59.A O no hydrogen 3.306 N/A SER 73.A N VAL 57.A O no hydrogen 3.293 N/A HIS 75.A N LYS 55.A O no hydrogen 2.804 N/A ILE 77.A N ALA 53.A O no hydrogen 3.387 N/A LYS 78.A NZ ASP 151.A OD1 no hydrogen 2.362 N/A ASP 83.A N THR 80.A OG1 no hydrogen 3.263 N/A CYS 84.A N THR 80.A O no hydrogen 2.928 N/A ASP 85.A N ARG 81.A O no hydrogen 2.927 N/A THR 86.A N SER 82.A O no hydrogen 3.337 N/A THR 86.A OG1 SER 82.A O no hydrogen 2.425 N/A LEU 88.A N CYS 84.A O no hydrogen 2.619 N/A ALA 89.A N ASP 85.A O no hydrogen 3.049 N/A SER 90.A N THR 86.A O no hydrogen 3.281 N/A SER 90.A OG THR 86.A O no hydrogen 3.291 N/A TYR 91.A N ALA 87.A O no hydrogen 3.272 N/A LYS 92.A N LEU 88.A O no hydrogen 2.948 N/A SER 93.A N SER 90.A O no hydrogen 3.246 N/A SER 93.A OG ALA 89.A O no hydrogen 2.729 N/A SER 93.A OG SER 90.A O no hydrogen 3.093 N/A GLY 94.A N TYR 91.A O no hydrogen 3.177 N/A THR 95.A N SER 90.A O no hydrogen 2.861 N/A CYS 106.A SG GLU 104.A OE1 no hydrogen 3.560 N/A SER 114.A N THR 58.A O no hydrogen 3.431 N/A PHE 116.A N TRP 56.A O no hydrogen 3.074 N/A VAL 118.A N ALA 54.A O no hydrogen 2.941 N/A MET 120.A N HIS 52.A O no hydrogen 2.548 N/A THR 122.A N LEU 50.A O no hydrogen 2.933 N/A HIS 124.A N GLY 48.A O no hydrogen 2.479 N/A HIS 124.A NE2 ASP 137.A OD1 no hydrogen 3.293 N/A HIS 125.A NE2 SER 46.A OG no hydrogen 2.741 N/A VAL 126.A N SER 46.A O no hydrogen 3.039 N/A GLY 127.A N VAL 136.A O no hydrogen 2.785 N/A ASP 129.A N HIS 134.A O no hydrogen 2.951 N/A ARG 132.A N ASP 129.A OD1 no hydrogen 2.616 N/A ARG 132.A NE HIS 134.A NE2 no hydrogen 3.337 N/A ARG 132.A NH2 GLU 144.A OE2 no hydrogen 3.547 N/A HIS 134.A N ASP 129.A O no hydrogen 3.208 N/A TRP 135.A N CYS 145.A O no hydrogen 2.718 N/A VAL 136.A N GLY 127.A O no hydrogen 2.644 N/A ASP 137.A N GLY 143.A O no hydrogen 3.375 N/A LEU 139.A N ASP 137.A OD1 no hydrogen 3.417 N/A PHE 140.A N ASP 137.A O no hydrogen 3.155 N/A VAL 141.A N ASP 151.A O no hydrogen 3.388 N/A GLY 143.A N PHE 140.A O no hydrogen 3.384 N/A CYS 145.A N TRP 135.A O no hydrogen 3.065 N/A CYS 145.A SG GLN 147.A O no hydrogen 4.021 N/A TYR 149.A OH ASP 85.A OD1 no hydrogen 3.319 N/A TYR 149.A OH ASP 85.A OD2 no hydrogen 2.840 N/A CYS 150.A N TRP 159.A O no hydrogen 3.016 N/A CYS 150.A SG GLN 147.A O no hydrogen 3.425 N/A THR 152.A OG1 HIS 154.A O no hydrogen 3.549 N/A THR 152.A OG1 SER 157.A O no hydrogen 2.180 N/A ILE 153.A N LEU 139.A O no hydrogen 2.936 N/A SER 157.A N HIS 154.A O no hydrogen 3.173 N/A SER 157.A OG CYS 51.A O no hydrogen 3.560 N/A SER 157.A OG HIS 52.A ND1 no hydrogen 2.995 N/A VAL 158.A N CYS 51.A O no hydrogen 2.957 N/A TRP 159.A N CYS 150.A O no hydrogen 2.862 N/A TRP 159.A NE1 HIS 124.A O no hydrogen 2.916 N/A ILE 160.A N PHE 49.A O no hydrogen 2.858 N/A ALA 162.A N ASP 47.A O no hydrogen 2.787 N/A GLN 164.A N GLN 164.A OE1 no hydrogen 2.604 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 3.370 N/A THR 165.A OG1 ASP 163.A OD2 no hydrogen 2.482 N/A ASN 168.A ND2 CYS 215.A O no hydrogen 3.664 N/A CYS 170.A SG GLN 172.A O no hydrogen 3.470 N/A GLY 171.A N ASP 130.A OD1 no hydrogen 2.530 N/A SER 173.A N GLY 40.A O no hydrogen 3.282 N/A SER 173.A OG THR 42.A OG1 no hydrogen 3.082 N/A THR 175.A N THR 37.A O no hydrogen 2.886 N/A LEU 177.A N SER 35.A O no hydrogen 2.593 N/A VAL 179.A N PHE 33.A O no hydrogen 3.254 N/A THR 180.A N LYS 197.A O no hydrogen 2.429 N/A THR 180.A OG1 SER 32.A OG no hydrogen 3.403 N/A VAL 181.A N GLU 31.A O no hydrogen 2.640 N/A ALA 182.A N VAL 195.A O no hydrogen 2.889 N/A TYR 183.A N GLN 29.A O no hydrogen 3.210 N/A TYR 183.A OH GLU 31.A OE2 no hydrogen 2.971 N/A LYS 185.A N GLY 27.A O no hydrogen 3.077 N/A THR 186.A OG1 ASP 184.A OD1 no hydrogen 3.275 N/A ILE 189.A N GLN 237.A OE1 no hydrogen 2.941 N/A VAL 195.A N ALA 182.A O no hydrogen 2.909 N/A PHE 196.A N MET 204.A O no hydrogen 2.745 N/A LYS 197.A N THR 180.A O no hydrogen 2.900 N/A SER 198.A N HIS 201.A O no hydrogen 3.213 N/A SER 198.A OG HIS 201.A ND1 no hydrogen 2.452 N/A TYR 200.A N SER 198.A OG no hydrogen 3.295 N/A HIS 201.A N SER 198.A O no hydrogen 3.477 N/A HIS 201.A ND1 SER 198.A OG no hydrogen 2.452 N/A SER 202.A OG SER 268.A OG no hydrogen 3.377 N/A MET 204.A N PHE 196.A O no hydrogen 2.988 N/A GLY 206.A N ILE 194.A O no hydrogen 2.621 N/A ARG 208.A N GLU 205.A O no hydrogen 3.309 N/A THR 209.A OG1 GLU 205.A O no hydrogen 2.594 N/A CYS 210.A N LYS 221.A O no hydrogen 3.161 N/A CYS 210.A SG LYS 221.A O no hydrogen 3.969 N/A ARG 211.A N LYS 246.A O no hydrogen 2.697 N/A LEU 212.A N GLY 219.A O no hydrogen 2.692 N/A TYR 214.A N ARG 217.A O no hydrogen 3.130 N/A CYS 215.A N ASP 130.A O no hydrogen 2.779 N/A ARG 217.A N TYR 214.A O no hydrogen 3.235 N/A ILE 220.A N VAL 228.A O no hydrogen 3.178 N/A LYS 221.A N CYS 210.A O no hydrogen 2.812 N/A LYS 221.A NZ PHE 222.A O no hydrogen 3.081 N/A PHE 222.A N GLU 226.A O no hydrogen 2.805 N/A ASN 224.A ND2 SER 396.A O no hydrogen 2.824 N/A GLY 225.A N PHE 222.A O no hydrogen 3.067 N/A GLU 226.A N ASN 224.A OD1 no hydrogen 3.456 N/A TRP 227.A NE1 LEU 212.A O no hydrogen 3.084 N/A VAL 228.A N ILE 220.A O no hydrogen 3.248 N/A SER 229.A N SER 36.A O no hydrogen 2.868 N/A LEU 230.A N ASN 218.A O no hydrogen 2.869 N/A THR 234.A OG1 ASP 231.A OD1 no hydrogen 3.202 N/A ILE 236.A N LYS 239.A O no hydrogen 2.667 N/A GLN 237.A NE2 LYS 187.A O no hydrogen 3.231 N/A LYS 239.A N ILE 236.A O no hydrogen 3.107 N/A LEU 241.A N THR 234.A O no hydrogen 2.953 N/A LEU 244.A N LEU 241.A O no hydrogen 3.339 N/A CYS 248.A N ARG 211.A O no hydrogen 2.831 N/A CYS 248.A SG ARG 211.A O no hydrogen 3.236 N/A THR 252.A OG1 PRO 249.A O no hydrogen 3.254 N/A VAL 254.A N TYR 131.A OH no hydrogen 3.059 N/A ARG 255.A N GLY 225.A O no hydrogen 2.868 N/A SER 256.A N PRO 400.A O no hydrogen 3.068 N/A SER 256.A OG PRO 400.A O no hydrogen 3.310 N/A THR 257.A N PRO 38.A O no hydrogen 2.925 N/A GLN 259.A N GLN 259.A OE1 no hydrogen 2.843 N/A ASP 261.A N LEU 258.A O no hydrogen 3.218 N/A GLY 262.A N GLN 259.A O no hydrogen 3.251 N/A GLN 264.A N ASP 261.A O no hydrogen 2.945 N/A GLN 264.A NE2 LEU 392.A O no hydrogen 2.783 N/A LEU 266.A N GLY 262.A O no hydrogen 3.286 N/A THR 267.A OG1 ALA 263.A O no hydrogen 3.522 N/A THR 267.A OG1 GLN 264.A O no hydrogen 3.138 N/A SER 268.A N GLN 264.A O no hydrogen 2.852 N/A SER 268.A OG SER 202.A OG no hydrogen 3.377 N/A SER 268.A OG VAL 265.A O no hydrogen 3.063 N/A GLU 269.A N VAL 265.A O no hydrogen 3.196 N/A ILE 270.A N LEU 266.A O no hydrogen 3.002 N/A GLN 271.A N THR 267.A O no hydrogen 3.053 N/A ARG 272.A N SER 268.A O no hydrogen 2.944 N/A ILE 273.A N GLU 269.A O no hydrogen 3.312 N/A LEU 274.A N ILE 270.A O no hydrogen 2.707 N/A ASP 275.A N GLN 271.A O no hydrogen 2.996 N/A TYR 276.A N ARG 272.A O no hydrogen 3.053 N/A SER 277.A N ILE 273.A O no hydrogen 3.415 N/A SER 277.A OG ILE 273.A O no hydrogen 3.063 N/A SER 277.A OG LEU 274.A O no hydrogen 3.411 N/A LEU 278.A N LEU 274.A O no hydrogen 3.135 N/A CYS 279.A N ASP 275.A O no hydrogen 3.051 N/A CYS 279.A SG TYR 276.A O no hydrogen 3.459 N/A GLN 280.A N TYR 276.A O no hydrogen 3.197 N/A ASN 281.A N SER 277.A O no hydrogen 3.128 N/A THR 282.A N CYS 279.A O no hydrogen 2.728 N/A THR 282.A OG1 ASP 296.A O no hydrogen 3.342 N/A THR 282.A OG1 ASP 296.A OD1 no hydrogen 3.124 N/A TRP 283.A N CYS 279.A O no hydrogen 2.806 N/A ASP 284.A N GLN 280.A O no hydrogen 2.716 N/A LYS 285.A NZ PRO 291.A O no hydrogen 3.423 N/A LYS 285.A NZ ASP 296.A OD2 no hydrogen 2.530 N/A VAL 286.A N THR 282.A O no hydrogen 3.024 N/A GLU 287.A N TRP 283.A O no hydrogen 2.891 N/A ARG 288.A N ASP 284.A O no hydrogen 3.225 N/A LYS 289.A N VAL 286.A O no hydrogen 2.481 N/A GLU 290.A N LYS 285.A O no hydrogen 3.040 N/A SER 293.A N ASP 296.A OD2 no hydrogen 3.313 N/A SER 293.A OG ASP 296.A OD2 no hydrogen 2.649 N/A ASP 296.A N SER 293.A OG no hydrogen 3.228 N/A LEU 297.A N SER 293.A O no hydrogen 2.979 N/A SER 298.A N LEU 295.A O no hydrogen 3.075 N/A SER 298.A OG LEU 295.A O no hydrogen 2.527 N/A TYR 299.A N ASP 296.A O no hydrogen 3.289 N/A LEU 300.A N LEU 297.A O no hydrogen 3.223 N/A SER 302.A OG SER 304.A O no hydrogen 3.543 N/A LYS 303.A NZ ASP 275.A OD2 no hydrogen 2.340 N/A LYS 303.A NZ TYR 299.A O no hydrogen 3.330 N/A LYS 303.A NZ ALA 301.A O no hydrogen 2.760 N/A GLY 306.A N TYR 325.A O no hydrogen 2.664 N/A GLY 308.A N THR 323.A O no hydrogen 2.798 N/A ALA 310.A N ALA 321.A O no hydrogen 2.940 N/A TYR 311.A N ASN 367.A OD1 no hydrogen 3.144 N/A THR 312.A N SER 319.A O no hydrogen 2.753 N/A THR 312.A OG1 GLY 365.A O no hydrogen 3.516 N/A VAL 313.A N THR 312.A OG1 no hydrogen 2.269 N/A ILE 314.A N THR 317.A O no hydrogen 2.918 N/A THR 317.A N ILE 314.A O no hydrogen 2.960 N/A THR 317.A OG1 ASN 315.A O no hydrogen 3.172 N/A SER 319.A N THR 312.A O no hydrogen 2.996 N/A SER 319.A OG THR 317.A O no hydrogen 3.091 N/A PHE 320.A N LYS 15.A O no hydrogen 2.817 N/A ALA 321.A N ALA 310.A O no hydrogen 2.836 N/A THR 323.A N GLY 308.A O no hydrogen 3.102 N/A THR 323.A OG1 ASN 9.A OD1 no hydrogen 3.235 N/A ARG 324.A NE GLU 8.A OE2 no hydrogen 3.160 N/A TYR 325.A N GLY 306.A O no hydrogen 2.743 N/A TYR 325.A OH LEU 309.A O no hydrogen 2.856 N/A VAL 326.A N PHE 6.A O no hydrogen 3.211 N/A MET 328.A N ILE 4.A O no hydrogen 3.019 N/A TRP 329.A N LYS 341.A O no hydrogen 3.170 N/A LEU 335.A N TYR 376.A O no hydrogen 3.002 N/A LYS 339.A N GLU 337.A O no hydrogen 2.669 N/A GLY 340.A N SER 350.A O no hydrogen 2.977 N/A LYS 341.A N TRP 329.A O no hydrogen 3.182 N/A LYS 341.A NZ ASP 331.A OD1 no hydrogen 3.335 N/A ARG 342.A NE SER 350.A OG no hydrogen 3.410 N/A ARG 342.A NH2 SER 350.A OG no hydrogen 3.377 N/A ARG 342.A NH2 ASP 351.A O no hydrogen 2.299 N/A SER 344.A OG SER 346.A OG no hydrogen 3.334 N/A SER 346.A N SER 344.A OG no hydrogen 3.233 N/A SER 346.A OG SER 344.A OG no hydrogen 3.334 N/A GLY 347.A N SER 344.A O no hydrogen 2.781 N/A ILE 348.A N GLU 343.A OE2 no hydrogen 3.514 N/A SER 350.A N GLY 340.A O no hydrogen 3.256 N/A SER 350.A OG GLY 340.A O no hydrogen 3.249 N/A ILE 352.A N PRO 338.A O no hydrogen 3.013 N/A TRP 353.A NE1 GLN 355.A O no hydrogen 2.463 N/A THR 354.A N THR 10.A O no hydrogen 3.065 N/A GLN 355.A N THR 10.A O no hydrogen 3.151 N/A GLN 355.A NE2 LEU 12.A O no hydrogen 3.248 N/A PHE 357.A N ILE 364.A O no hydrogen 3.380 N/A TYR 359.A N MET 362.A O no hydrogen 2.976 N/A TYR 359.A OH LEU 292.A O no hydrogen 2.687 N/A MET 362.A N TYR 359.A O no hydrogen 3.042 N/A GLU 363.A N LYS 371.A O no hydrogen 3.229 N/A ILE 364.A N PHE 357.A O no hydrogen 2.975 N/A GLY 365.A N LEU 369.A O no hydrogen 2.856 N/A ASN 367.A N TYR 311.A O no hydrogen 2.986 N/A ASN 367.A ND2 TYR 325.A OH no hydrogen 2.970 N/A LEU 369.A N PRO 366.A O no hydrogen 3.401 N/A LEU 370.A N LYS 377.A O no hydrogen 2.876 N/A LYS 371.A N GLU 363.A O no hydrogen 3.106 N/A LYS 371.A NZ GLU 363.A OE1 no hydrogen 2.874 N/A THR 372.A N GLY 375.A O no hydrogen 3.103 N/A THR 372.A OG1 GLY 375.A O no hydrogen 2.792 N/A GLY 375.A N THR 372.A O no hydrogen 2.947 N/A TYR 376.A N LEU 335.A O no hydrogen 2.744 N/A LYS 377.A NZ THR 372.A OG1 no hydrogen 2.894 N/A PHE 378.A N PRO 333.A O no hydrogen 3.140 N/A HIS 381.A NE2 ASP 275.A OD1 no hydrogen 2.707 N/A ILE 383.A N PRO 379.A O no hydrogen 3.327 N/A GLY 384.A N TRP 380.A O no hydrogen 2.805 N/A MET 385.A N HIS 381.A O no hydrogen 2.788 N/A GLY 386.A N LEU 382.A O no hydrogen 3.016 N/A GLY 386.A N ILE 383.A O no hydrogen 2.921 N/A ILE 387.A N ILE 383.A O no hydrogen 2.956 N/A VAL 388.A N GLY 384.A O no hydrogen 3.321 N/A ASP 389.A N MET 385.A O no hydrogen 3.143 N/A ASN 390.A N GLY 386.A O no hydrogen 2.971 N/A GLU 391.A N ILE 387.A O no hydrogen 3.214 N/A LEU 392.A N VAL 388.A O no hydrogen 2.722 N/A HIS 393.A N ASN 390.A O no hydrogen 2.773 N/A GLU 394.A N ASN 390.A O no hydrogen 3.081 N/A LEU 395.A N GLU 391.A O no hydrogen 3.150 N/A SER 396.A N HIS 393.A O no hydrogen 2.589 N/A SER 396.A OG HIS 393.A O no hydrogen 2.620 N/A GLU 397.A N HIS 393.A O no hydrogen 3.353 N/A ASN 399.A ND2 ASP 261.A OD1 no hydrogen 3.225 N/A ASN 399.A ND2 ASP 261.A OD2 no hydrogen 3.391 N/A ASP 402.A N VAL 254.A O no hydrogen 2.893 N/A GLN 405.A N VAL 128.A O no hydrogen 3.330 N/A