Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iao_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 7.A N ASN 4.A O no hydrogen 2.699 N/A LYS 8.A N ASP 5.A O no hydrogen 3.036 N/A GLU 10.A N ASN 36.A OD1 no hydrogen 3.150 N/A SER 19.A OG TYR 62.A OH no hydrogen 3.283 N/A THR 30.A N GLU 33.A OE1 no hydrogen 3.070 N/A THR 30.A OG1 GLU 33.A OE1 no hydrogen 2.792 N/A GLU 33.A N THR 30.A O no hydrogen 2.565 N/A SER 34.A N THR 30.A O no hydrogen 2.905 N/A SER 34.A OG LEU 69.A O no hydrogen 3.121 N/A LEU 35.A N LYS 31.A O no hydrogen 2.798 N/A ASN 36.A N ARG 32.A O no hydrogen 2.958 N/A ASN 36.A ND2 GLU 10.A O no hydrogen 3.041 N/A ALA 37.A N GLU 33.A O no hydrogen 2.977 N/A ARG 38.A N SER 34.A O no hydrogen 2.960 N/A ARG 38.A NE LEU 70.A O no hydrogen 2.932 N/A ARG 38.A NH2 LEU 70.A O no hydrogen 3.250 N/A ARG 38.A NH2 GLY 71.A O no hydrogen 3.381 N/A MET 39.A N LEU 35.A O no hydrogen 2.971 N/A PHE 40.A N ASN 36.A O no hydrogen 2.810 N/A LEU 41.A N ALA 37.A O no hydrogen 2.735 N/A LYS 42.A N ARG 38.A O no hydrogen 3.015 N/A LYS 42.A NZ VAL 109.A O no hydrogen 3.189 N/A LYS 42.A NZ THR 112.A O no hydrogen 2.997 N/A TYR 43.A N MET 39.A O no hydrogen 2.758 N/A TYR 44.A N PHE 40.A O no hydrogen 2.896 N/A GLY 45.A N LEU 41.A O no hydrogen 2.938 N/A PHE 49.A N GLY 45.A O no hydrogen 3.327 N/A LEU 50.A N ALA 46.A O no hydrogen 2.850 N/A ASP 51.A N HIS 47.A O no hydrogen 2.910 N/A THR 52.A N LYS 48.A O no hydrogen 3.007 N/A THR 52.A OG1 LYS 48.A O no hydrogen 3.177 N/A TYR 53.A N PHE 49.A O no hydrogen 3.255 N/A SER 60.A N ASP 88.A OD2 no hydrogen 3.240 N/A SER 60.A OG ASP 88.A OD1 no hydrogen 2.532 N/A SER 60.A OG ASP 88.A OD2 no hydrogen 3.328 N/A TYR 62.A OH ILE 18.A O no hydrogen 3.415 N/A LEU 66.A N TYR 62.A O no hydrogen 2.786 N/A LYS 68.A N TYR 64.A O no hydrogen 3.267 N/A LYS 68.A NZ TYR 64.A OH no hydrogen 3.021 N/A LEU 69.A N TYR 65.A O no hydrogen 2.554 N/A LEU 70.A N LEU 66.A O no hydrogen 3.244 N/A GLY 71.A N LYS 68.A O no hydrogen 3.032 N/A PHE 72.A N ILE 67.A O no hydrogen 2.910 N/A ILE 80.A N ASP 76.A O no hydrogen 2.920 N/A GLY 81.A N GLN 77.A O no hydrogen 3.314 N/A THR 82.A OG1 ALA 78.A O no hydrogen 2.841 N/A ILE 83.A N LEU 79.A O no hydrogen 3.175 N/A ASN 84.A N ILE 80.A O no hydrogen 2.827 N/A SER 85.A N GLY 81.A O no hydrogen 3.350 N/A SER 85.A OG GLY 81.A O no hydrogen 3.396 N/A ILE 86.A N THR 82.A O no hydrogen 3.166 N/A LEU 90.A N ASP 88.A OD1 no hydrogen 3.045 N/A THR 95.A OG1 ALA 91.A O no hydrogen 2.519 N/A VAL 96.A N LYS 92.A O no hydrogen 3.282 N/A VAL 96.A N LYS 93.A O no hydrogen 2.849 N/A ARG 97.A N LYS 93.A O no hydrogen 2.955 N/A ARG 97.A NE ARG 97.A O no hydrogen 3.191 N/A LEU 98.A N GLN 94.A O no hydrogen 2.765 N/A ILE 99.A N THR 95.A O no hydrogen 3.210 N/A LYS 100.A N VAL 96.A O no hydrogen 3.139 N/A LEU 102.A N LEU 98.A O no hydrogen 2.936 N/A GLN 103.A N ILE 99.A O no hydrogen 3.123 N/A ARG 104.A N LYS 100.A O no hydrogen 2.974 N/A ALA 105.A N ASP 101.A O no hydrogen 3.025 N/A ILE 106.A N LEU 102.A O no hydrogen 2.782 N/A ASN 107.A N GLN 103.A O no hydrogen 2.962 N/A LYS 108.A N ARG 104.A O no hydrogen 2.822 N/A LYS 108.A NZ THR 112.A OG1 no hydrogen 2.545 N/A VAL 109.A N ALA 105.A O no hydrogen 3.070 N/A LEU 110.A N ILE 106.A O no hydrogen 2.890 N/A CYS 111.A N ASN 107.A O no hydrogen 2.952 N/A THR 112.A N VAL 109.A O no hydrogen 2.962 N/A THR 112.A OG1 LYS 108.A O no hydrogen 2.545 N/A ARG 113.A NH1 GLU 374.A O no hydrogen 2.958 N/A ARG 113.A NH1 ASP 376.A OD1 no hydrogen 2.976 N/A ARG 113.A NH2 VAL 360.A O no hydrogen 3.012 N/A ARG 113.A NH2 ASP 376.A OD1 no hydrogen 3.430 N/A ARG 113.A NH2 ASP 376.A OD2 no hydrogen 2.756 N/A ARG 115.A NH2 LYS 418.A O no hydrogen 3.062 N/A LEU 116.A N ASP 376.A OD1 no hydrogen 2.949 N/A PHE 119.A N LEU 116.A O no hydrogen 3.224 N/A PHE 120.A N HIS 124.A ND1 no hydrogen 2.965 N/A THR 121.A N HIS 124.A ND1 no hydrogen 2.921 N/A THR 121.A OG1 TYR 421.A OH no hydrogen 2.420 N/A PHE 125.A N THR 121.A O no hydrogen 3.118 N/A ILE 126.A N ILE 122.A O no hydrogen 2.981 N/A GLN 127.A N ASP 123.A O no hydrogen 2.759 N/A LYS 128.A N HIS 124.A O no hydrogen 2.885 N/A LEU 129.A N PHE 125.A O no hydrogen 3.129 N/A HIS 130.A N GLN 127.A O no hydrogen 3.232 N/A THR 131.A N LYS 128.A O no hydrogen 3.053 N/A THR 131.A OG1 GLN 127.A O no hydrogen 3.533 N/A THR 131.A OG1 LYS 128.A O no hydrogen 3.037 N/A ARG 133.A NH2 LYS 213.A O no hydrogen 2.734 N/A LYS 134.A N ASP 335.A OD2 no hydrogen 3.195 N/A LYS 134.A NZ GLU 333.A OE1 no hydrogen 3.072 N/A LEU 136.A N LEU 336.A O no hydrogen 2.918 N/A VAL 137.A N ARG 218.A O no hydrogen 3.080 N/A LEU 138.A N ILE 338.A O no hydrogen 2.977 N/A THR 139.A N TYR 220.A O no hydrogen 2.914 N/A THR 139.A OG1 THR 221.A OG1 no hydrogen 3.191 N/A GLY 140.A N ILE 340.A O no hydrogen 2.776 N/A GLY 142.A N GLY 341.A O no hydrogen 2.876 N/A SER 144.A N ALA 141.A O no hydrogen 3.160 N/A SER 144.A OG ASP 225.A OD2 no hydrogen 3.541 N/A THR 145.A N GLY 142.A O no hydrogen 3.099 N/A THR 145.A OG1 GLY 142.A O no hydrogen 3.229 N/A SER 146.A OG ASP 384.A OD2 no hydrogen 3.129 N/A LEU 147.A N SER 144.A O no hydrogen 3.046 N/A GLY 148.A N THR 145.A O no hydrogen 2.843 N/A SER 154.A N ASP 151.A OD1 no hydrogen 3.107 N/A SER 154.A OG ASP 151.A OD1 no hydrogen 3.110 N/A SER 154.A OG ASP 151.A OD2 no hydrogen 2.244 N/A GLY 157.A N SER 154.A O no hydrogen 2.597 N/A PHE 158.A N ASP 151.A O no hydrogen 2.822 N/A TYR 159.A N PHE 152.A O no hydrogen 3.191 N/A SER 160.A N GLY 157.A O no hydrogen 3.165 N/A LYS 161.A N GLY 157.A O no hydrogen 3.117 N/A ILE 162.A N PHE 158.A O no hydrogen 3.227 N/A LYS 163.A N TYR 159.A O no hydrogen 3.076 N/A LYS 163.A NZ ASP 168.A O no hydrogen 3.039 N/A LEU 165.A N ILE 162.A O no hydrogen 2.896 N/A GLY 166.A N LYS 163.A O no hydrogen 3.363 N/A ASP 169.A N ASP 168.A OD1 no hydrogen 2.588 N/A GLN 171.A N ASP 169.A OD2 no hydrogen 3.478 N/A ASP 172.A N ASP 169.A O no hydrogen 2.822 N/A VAL 173.A N PRO 170.A O no hydrogen 3.302 N/A PHE 174.A N GLN 171.A O no hydrogen 3.010 N/A ASN 175.A N ASP 172.A O no hydrogen 2.979 N/A TYR 176.A N PHE 315.A O no hydrogen 2.959 N/A ILE 178.A N ASN 175.A OD1 no hydrogen 2.907 N/A PHE 179.A N ASN 175.A O no hydrogen 3.058 N/A MET 180.A N TYR 176.A O no hydrogen 3.145 N/A HIS 181.A N ASN 177.A O no hydrogen 3.215 N/A ASP 182.A N ILE 178.A O no hydrogen 2.541 N/A SER 184.A N ASP 182.A OD1 no hydrogen 3.190 N/A SER 184.A OG ASN 291.A O no hydrogen 3.509 N/A VAL 185.A N ASP 182.A O no hydrogen 3.321 N/A TYR 187.A N PRO 183.A O no hydrogen 3.215 N/A TYR 187.A OH LEU 308.A O no hydrogen 2.546 N/A ASN 188.A N SER 184.A O no hydrogen 2.990 N/A ILE 189.A N PHE 186.A O no hydrogen 3.153 N/A ASN 191.A ND2 ASN 188.A O no hydrogen 3.230 N/A MET 192.A N ILE 189.A O no hydrogen 2.887 N/A VAL 193.A N ALA 190.A O no hydrogen 3.020 N/A LEU 194.A N ASN 191.A O no hydrogen 3.288 N/A SER 201.A N HIS 204.A ND1 no hydrogen 3.395 N/A SER 201.A OG VAL 143.A O no hydrogen 2.941 N/A SER 201.A OG HIS 204.A ND1 no hydrogen 2.737 N/A HIS 204.A N SER 201.A O no hydrogen 3.238 N/A HIS 204.A ND1 SER 201.A OG no hydrogen 2.737 N/A SER 205.A OG PRO 399.A O no hydrogen 3.333 N/A PHE 206.A N PRO 202.A O no hydrogen 2.946 N/A ILE 207.A N LEU 203.A O no hydrogen 3.320 N/A LYS 208.A N HIS 204.A O no hydrogen 2.981 N/A LYS 208.A NZ GLY 232.A O no hydrogen 3.409 N/A MET 209.A N SER 205.A O no hydrogen 2.685 N/A LEU 210.A N PHE 206.A O no hydrogen 2.996 N/A GLN 211.A N ILE 207.A O no hydrogen 3.128 N/A MET 212.A N LYS 208.A O no hydrogen 3.050 N/A LYS 213.A N MET 209.A O no hydrogen 3.041 N/A GLY 214.A N GLN 211.A O no hydrogen 3.087 N/A LYS 215.A N LEU 210.A O no hydrogen 2.887 N/A LYS 215.A NZ HIS 130.A O no hydrogen 3.031 N/A LYS 215.A NZ ALA 132.A O no hydrogen 3.008 N/A LEU 217.A N ILE 135.A O no hydrogen 2.840 N/A ARG 218.A N ILE 135.A O no hydrogen 3.427 N/A ARG 218.A NH2 ASP 330.A OD1 no hydrogen 3.408 N/A ASN 219.A N LYS 237.A O no hydrogen 2.692 N/A ASN 219.A ND2 VAL 137.A O no hydrogen 2.908 N/A TYR 220.A N VAL 137.A O no hydrogen 2.816 N/A TYR 220.A OH ASP 330.A OD2 no hydrogen 2.601 N/A THR 221.A N VAL 239.A O no hydrogen 2.958 N/A THR 221.A OG1 THR 139.A OG1 no hydrogen 3.191 N/A THR 221.A OG1 GLU 228.A OE2 no hydrogen 2.905 N/A GLN 222.A N THR 139.A O no hydrogen 3.112 N/A ASN 223.A N THR 221.A OG1 no hydrogen 3.028 N/A ASN 223.A ND2 GLY 140.A O no hydrogen 2.654 N/A LEU 227.A N ASP 225.A OD1 no hydrogen 3.357 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.795 N/A SER 229.A OG ASN 226.A O no hydrogen 3.234 N/A SER 229.A OG ASN 226.A OD1 no hydrogen 2.854 N/A TYR 230.A N LEU 227.A O no hydrogen 2.948 N/A ALA 231.A N LEU 227.A O no hydrogen 3.185 N/A ALA 231.A N GLU 228.A O no hydrogen 3.193 N/A GLY 232.A N SER 229.A O no hydrogen 3.341 N/A SER 234.A N GLN 211.A OE1 no hydrogen 3.169 N/A SER 234.A OG ASP 236.A OD1 no hydrogen 3.542 N/A SER 234.A OG ASP 236.A OD2 no hydrogen 3.264 N/A LYS 237.A N SER 234.A O no hydrogen 2.957 N/A LYS 237.A NZ LEU 216.A O no hydrogen 3.278 N/A VAL 239.A N ASN 219.A O no hydrogen 3.011 N/A CYS 241.A N THR 221.A O no hydrogen 3.013 N/A CYS 241.A SG THR 221.A O no hydrogen 3.231 N/A CYS 241.A SG VAL 239.A O no hydrogen 3.848 N/A GLY 243.A N GLN 240.A O no hydrogen 3.383 N/A ALA 246.A N SER 244.A OG no hydrogen 3.095 N/A THR 247.A OG1 ASP 311.A OD2 no hydrogen 2.243 N/A ALA 248.A N LEU 257.A O no hydrogen 2.971 N/A THR 249.A N LYS 309.A O no hydrogen 2.791 N/A THR 249.A OG1 ASP 311.A OD1 no hydrogen 2.786 N/A THR 249.A OG1 ASP 311.A OD2 no hydrogen 3.497 N/A CYS 250.A N TRP 255.A O no hydrogen 3.115 N/A CYS 250.A SG THR 252.A OG1 no hydrogen 2.986 N/A VAL 251.A N VAL 307.A O no hydrogen 3.127 N/A HIS 254.A N CYS 250.A O no hydrogen 2.985 N/A ASN 256.A ND2 ASP 311.A OD2 no hydrogen 3.269 N/A LEU 257.A N ALA 248.A O no hydrogen 3.100 N/A GLY 259.A N ALA 246.A O no hydrogen 2.643 N/A ARG 261.A N PRO 258.A O no hydrogen 2.920 N/A ILE 262.A N GLY 259.A O no hydrogen 3.028 N/A PHE 263.A N GLU 260.A O no hydrogen 3.085 N/A LYS 265.A NZ GLU 270.A OE1 no hydrogen 2.860 N/A ILE 266.A N ILE 262.A O no hydrogen 3.041 N/A ARG 267.A N PHE 263.A O no hydrogen 2.945 N/A ASN 268.A N ASN 264.A O no hydrogen 2.951 N/A LEU 269.A N ILE 266.A O no hydrogen 3.148 N/A GLU 270.A N LYS 265.A O no hydrogen 2.844 N/A CYS 274.A N GLY 306.A O no hydrogen 3.066 N/A CYS 277.A SG THR 252.A OG1 no hydrogen 2.931 N/A LYS 279.A NZ TYR 276.A O no hydrogen 3.170 N/A ARG 281.A N CYS 277.A O no hydrogen 3.038 N/A ARG 281.A NE TYR 305.A O no hydrogen 2.897 N/A ARG 281.A NH1 ASN 290.A OD1 no hydrogen 3.395 N/A ARG 281.A NH2 ASN 303.A O no hydrogen 3.217 N/A ARG 282.A N TYR 278.A O no hydrogen 3.234 N/A ARG 282.A N LYS 279.A O no hydrogen 3.244 N/A GLU 283.A N LYS 280.A O no hydrogen 3.059 N/A TYR 284.A N LYS 280.A O no hydrogen 3.306 N/A PHE 285.A N ARG 281.A O no hydrogen 2.718 N/A GLY 288.A N PHE 285.A O no hydrogen 3.476 N/A ARG 297.A N MET 294.A O no hydrogen 2.838 N/A ILE 301.A N PRO 298.A O no hydrogen 2.857 N/A SER 304.A OG MET 180.A O no hydrogen 2.536 N/A TYR 305.A N LEU 302.A O no hydrogen 3.132 N/A VAL 307.A N SER 304.A O no hydrogen 3.066 N/A LEU 308.A N PRO 272.A O no hydrogen 3.105 N/A LYS 309.A N THR 249.A O no hydrogen 2.875 N/A LYS 309.A NZ PRO 310.A O no hydrogen 3.163 N/A LYS 309.A NZ ILE 312.A O no hydrogen 3.143 N/A LYS 309.A NZ GLU 317.A OE1 no hydrogen 2.997 N/A ASP 311.A N THR 247.A O no hydrogen 3.022 N/A THR 313.A N HIS 242.A O no hydrogen 2.557 N/A PHE 314.A N GLU 317.A OE1 no hydrogen 2.841 N/A PHE 315.A N PHE 174.A O no hydrogen 2.920 N/A GLU 317.A N PHE 314.A O no hydrogen 3.103 N/A LYS 322.A NZ THR 235.A O no hydrogen 3.045 N/A LYS 322.A NZ LEU 238.A O no hydrogen 3.500 N/A PHE 323.A N PRO 320.A O no hydrogen 3.004 N/A LYS 325.A N ASN 321.A O no hydrogen 2.980 N/A SER 326.A N LYS 322.A O no hydrogen 2.958 N/A SER 326.A OG LYS 322.A O no hydrogen 2.794 N/A ILE 327.A N PHE 323.A O no hydrogen 2.981 N/A ARG 328.A N HIS 324.A O no hydrogen 3.442 N/A GLU 329.A N SER 326.A O no hydrogen 3.173 N/A ASP 330.A N ILE 327.A O no hydrogen 3.257 N/A ILE 331.A N ILE 327.A O no hydrogen 3.212 N/A CYS 334.A SG LEU 336.A O no hydrogen 3.363 N/A ASP 335.A N LYS 134.A O no hydrogen 3.191 N/A LEU 337.A N PRO 361.A O no hydrogen 3.187 N/A ILE 338.A N LEU 136.A O no hydrogen 3.011 N/A CYS 339.A N VAL 363.A O no hydrogen 2.758 N/A ILE 340.A N LEU 138.A O no hydrogen 2.914 N/A GLY 341.A N ILE 365.A O no hydrogen 2.978 N/A THR 342.A OG1 GLN 222.A OE1 no hydrogen 3.333 N/A LEU 344.A N THR 342.A OG1 no hydrogen 2.809 N/A SER 350.A N VAL 346.A O no hydrogen 3.216 N/A GLU 351.A N PRO 348.A O no hydrogen 2.755 N/A ILE 352.A N VAL 349.A O no hydrogen 3.130 N/A VAL 353.A N SER 350.A O no hydrogen 3.287 N/A ASN 354.A N GLU 351.A O no hydrogen 2.993 N/A ASN 354.A ND2 GLU 351.A OE2 no hydrogen 3.164 N/A MET 355.A N ILE 352.A O no hydrogen 3.191 N/A VAL 360.A N PRO 357.A O no hydrogen 3.308 N/A GLN 362.A N ASP 376.A OD2 no hydrogen 2.796 N/A GLN 362.A NE2 VAL 353.A O no hydrogen 3.198 N/A VAL 363.A N LEU 337.A O no hydrogen 2.843 N/A LEU 364.A N LEU 377.A O no hydrogen 2.765 N/A ILE 365.A N CYS 339.A O no hydrogen 2.655 N/A ASN 366.A N LEU 379.A O no hydrogen 3.319 N/A ASN 366.A ND2 ASP 368.A O no hydrogen 2.828 N/A HIS 372.A NE2 LEU 344.A O no hydrogen 3.003 N/A ALA 373.A N VAL 370.A O no hydrogen 3.495 N/A LEU 377.A N GLN 362.A O no hydrogen 3.320 N/A SER 378.A N GLY 419.A O no hydrogen 2.643 N/A LEU 379.A N LEU 364.A O no hydrogen 2.782 N/A LEU 380.A N TYR 421.A O no hydrogen 2.683 N/A GLY 381.A N ASN 366.A O no hydrogen 2.863 N/A ILE 386.A N TYR 382.A O no hydrogen 3.037 N/A ALA 387.A N CYS 383.A O no hydrogen 3.063 N/A ALA 388.A N ASP 384.A O no hydrogen 3.105 N/A MET 389.A N ASP 385.A O no hydrogen 2.936 N/A VAL 390.A N ILE 386.A O no hydrogen 3.208 N/A ALA 391.A N ALA 387.A O no hydrogen 2.977 N/A GLN 392.A N ALA 388.A O no hydrogen 2.983 N/A GLN 392.A NE2 LEU 406.A O no hydrogen 3.447 N/A GLN 392.A NE2 LYS 407.A O no hydrogen 3.099 N/A GLN 392.A NE2 LYS 409.A O no hydrogen 2.761 N/A LYS 393.A N MET 389.A O no hydrogen 3.232 N/A CYS 394.A N VAL 390.A O no hydrogen 3.194 N/A CYS 394.A SG VAL 390.A O no hydrogen 3.339 N/A GLY 395.A N GLN 392.A O no hydrogen 2.676 N/A TRP 396.A N ALA 391.A O no hydrogen 2.761 N/A HIS 400.A N ILE 398.A O no hydrogen 2.865 N/A LYS 401.A N HIS 400.A ND1 no hydrogen 2.917 N/A TRP 403.A N HIS 400.A O no hydrogen 3.137 N/A LEU 406.A N LYS 402.A O no hydrogen 3.037 N/A LYS 407.A N TRP 403.A O no hydrogen 2.690 N/A LYS 409.A N LEU 406.A O no hydrogen 2.756 N/A LYS 409.A NZ SER 425.A OG no hydrogen 3.296 N/A LYS 412.A N THR 424.A O no hydrogen 3.106 N/A LYS 412.A NZ SER 413.A O no hydrogen 3.239 N/A LYS 412.A NZ GLN 414.A OE1 no hydrogen 3.520 N/A GLN 414.A N VAL 422.A O no hydrogen 3.211 N/A LYS 416.A N VAL 420.A O no hydrogen 3.045 N/A LYS 418.A NZ GLU 415.A OE2 no hydrogen 3.166 N/A VAL 420.A N ASP 417.A O no hydrogen 3.048 N/A TYR 421.A N SER 378.A O no hydrogen 3.064 N/A TYR 421.A OH THR 121.A OG1 no hydrogen 2.420 N/A VAL 422.A N GLN 414.A O no hydrogen 2.751 N/A VAL 423.A N LEU 380.A O no hydrogen 3.001 N/A THR 424.A N LYS 412.A O no hydrogen 3.010 N/A