Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ukj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 16.A ND1 no hydrogen 2.926 N/A SER 4.A N HIS 2.A O no hydrogen 2.464 N/A ARG 13.A N GLY 9.A O no hydrogen 2.984 N/A ARG 13.A NE SER 76.A OG no hydrogen 3.269 N/A ARG 13.A NH1 PRO 8.A O no hydrogen 2.823 N/A ARG 13.A NH2 SER 76.A O no hydrogen 3.493 N/A ALA 14.A N PHE 10.A O no hydrogen 2.910 N/A HIS 16.A N THR 12.A O no hydrogen 3.066 N/A HIS 17.A N ARG 13.A O no hydrogen 3.108 N/A TYR 19.A N HIS 16.A O no hydrogen 3.040 N/A TYR 19.A OH ALA 27.A O no hydrogen 2.525 N/A GLN 22.A N ASP 20.A OD2 no hydrogen 2.785 N/A ASP 23.A N ASP 20.A O no hydrogen 2.703 N/A HIS 24.A N PRO 21.A O no hydrogen 2.988 N/A GLY 26.A N PRO 21.A O no hydrogen 2.570 N/A ALA 27.A N HIS 24.A O no hydrogen 3.230 N/A THR 35.A OG1 THR 37.A O no hydrogen 3.227 N/A THR 37.A OG1 PHE 38.A O no hydrogen 3.165 N/A PHE 38.A N PHE 58.A O no hydrogen 3.320 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.602 N/A TYR 45.A N THR 42.A OG1 no hydrogen 2.959 N/A GLY 46.A N THR 42.A O no hydrogen 3.114 N/A ALA 47.A N VAL 43.A O no hydrogen 3.142 N/A ALA 48.A N GLU 44.A O no hydrogen 3.112 N/A CYS 49.A N TYR 45.A O no hydrogen 3.048 N/A CYS 49.A SG TYR 45.A O no hydrogen 3.580 N/A CYS 49.A SG GLY 46.A O no hydrogen 3.822 N/A PHE 50.A N ALA 47.A O no hydrogen 3.205 N/A ALA 51.A N ALA 47.A O no hydrogen 3.084 N/A SER 60.A N ALA 36.A O no hydrogen 2.676 N/A SER 60.A OG THR 35.A O no hydrogen 2.530 N/A SER 60.A OG ALA 36.A O no hydrogen 2.941 N/A ILE 62.A N TYR 59.A O no hydrogen 3.251 N/A SER 63.A N TYR 59.A O no hydrogen 3.269 N/A ASN 64.A ND2 TYR 33.A O no hydrogen 3.473 N/A ASN 64.A ND2 THR 35.A O no hydrogen 3.450 N/A ASN 64.A ND2 SER 60.A OG no hydrogen 2.567 N/A THR 66.A N ASN 64.A OD1 no hydrogen 3.320 N/A ASN 68.A N ASN 64.A O no hydrogen 2.624 N/A LEU 69.A N PRO 65.A O no hydrogen 3.289 N/A LEU 69.A N THR 66.A O no hydrogen 3.343 N/A LEU 70.A N THR 66.A O no hydrogen 3.379 N/A GLU 71.A N LEU 67.A O no hydrogen 2.957 N/A ALA 72.A N ASN 68.A O no hydrogen 2.951 N/A ARG 73.A N LEU 69.A O no hydrogen 2.666 N/A ARG 73.A NE HIS 17.A O no hydrogen 2.835 N/A ARG 73.A NH2 HIS 17.A O no hydrogen 2.873 N/A MET 74.A N LEU 70.A O no hydrogen 2.675 N/A ALA 75.A N GLU 71.A O no hydrogen 2.883 N/A SER 76.A N ALA 72.A O no hydrogen 3.174 N/A LEU 77.A N ARG 73.A O no hydrogen 3.177 N/A LEU 77.A N MET 74.A O no hydrogen 3.144 N/A GLU 78.A N MET 74.A O no hydrogen 3.060 N/A GLY 80.A N ALA 75.A O no hydrogen 2.685 N/A ALA 82.A N GLY 225.A O no hydrogen 2.844 N/A LEU 84.A N VAL 223.A O no hydrogen 2.898 N/A ALA 85.A N GLU 71.A OE1 no hydrogen 2.743 N/A LEU 86.A N GLY 221.A O no hydrogen 2.886 N/A ALA 87.A N ALA 244.A O no hydrogen 2.810 N/A GLY 91.A N SER 88.A O no hydrogen 2.782 N/A GLY 91.A N SER 88.A OG no hydrogen 3.150 N/A ALA 92.A N SER 88.A O no hydrogen 3.016 N/A ILE 93.A N GLY 89.A O no hydrogen 3.280 N/A THR 94.A N MET 90.A O no hydrogen 3.029 N/A THR 94.A OG1 MET 90.A O no hydrogen 2.491 N/A SER 95.A N GLY 91.A O no hydrogen 3.095 N/A SER 95.A OG GLY 91.A O no hydrogen 2.513 N/A THR 96.A N ALA 92.A O no hydrogen 2.985 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.768 N/A LEU 97.A N ILE 93.A O no hydrogen 2.797 N/A TRP 98.A N THR 94.A O no hydrogen 2.891 N/A THR 99.A N THR 96.A O no hydrogen 3.211 N/A LEU 100.A N THR 96.A O no hydrogen 2.988 N/A LEU 101.A N LEU 97.A O no hydrogen 2.869 N/A ARG 102.A N ASP 105.A OD1 no hydrogen 2.915 N/A ARG 102.A NH2 TRP 98.A O no hydrogen 2.837 N/A ARG 102.A NH2 LEU 101.A O no hydrogen 2.642 N/A GLY 104.A N GLY 129.A O no hydrogen 2.749 N/A ASP 105.A N ARG 102.A O no hydrogen 2.916 N/A GLU 106.A N ALA 150.A O no hydrogen 2.631 N/A VAL 107.A N LYS 131.A O no hydrogen 2.707 N/A LEU 108.A N VAL 153.A O no hydrogen 3.100 N/A LEU 109.A N ARG 133.A O no hydrogen 2.635 N/A GLY 110.A N TYR 155.A O no hydrogen 3.280 N/A THR 112.A OG1 ASN 161.A O no hydrogen 3.128 N/A TYR 114.A N GLU 157.A OE2 no hydrogen 2.880 N/A THR 117.A N TYR 114.A O no hydrogen 2.520 N/A PHE 118.A N TYR 114.A O no hydrogen 3.065 N/A ALA 119.A N GLY 115.A O no hydrogen 2.969 N/A PHE 120.A N CYS 116.A O no hydrogen 2.864 N/A LEU 121.A N THR 117.A O no hydrogen 3.250 N/A HIS 122.A N PHE 118.A O no hydrogen 2.809 N/A HIS 123.A N ALA 119.A O no hydrogen 2.668 N/A GLU 127.A N GLY 124.A O no hydrogen 2.914 N/A PHE 128.A N ILE 125.A O no hydrogen 2.727 N/A LYS 131.A N ASP 105.A O no hydrogen 2.857 N/A ARG 133.A N VAL 107.A O no hydrogen 3.067 N/A ARG 133.A NH2 GLU 106.A OE1 no hydrogen 2.561 N/A VAL 135.A N LEU 109.A O no hydrogen 2.742 N/A ALA 138.A N ASP 136.A OD2 no hydrogen 2.886 N/A ASP 139.A N ASP 136.A O no hydrogen 2.777 N/A ALA 142.A N ASP 139.A OD2 no hydrogen 3.091 N/A LEU 143.A N ASP 139.A O no hydrogen 2.817 N/A GLU 144.A N LEU 140.A O no hydrogen 2.932 N/A ALA 145.A N GLN 141.A O no hydrogen 3.123 N/A ALA 146.A N ALA 142.A O no hydrogen 2.926 N/A MET 147.A N GLU 144.A O no hydrogen 3.334 N/A THR 148.A N THR 151.A OG1 no hydrogen 2.996 N/A THR 148.A OG1 GLU 106.A OE1 no hydrogen 2.725 N/A THR 148.A OG1 THR 151.A OG1 no hydrogen 3.289 N/A ALA 150.A N THR 148.A OG1 no hydrogen 3.177 N/A THR 151.A N THR 148.A O no hydrogen 2.937 N/A THR 151.A OG1 GLU 106.A OE1 no hydrogen 2.873 N/A THR 151.A OG1 THR 148.A O no hydrogen 2.948 N/A THR 151.A OG1 THR 148.A OG1 no hydrogen 3.289 N/A ARG 152.A N GLU 106.A O no hydrogen 2.942 N/A ILE 154.A N THR 182.A O no hydrogen 2.870 N/A TYR 155.A N LEU 108.A O no hydrogen 2.959 N/A PHE 156.A N VAL 184.A O no hydrogen 3.264 N/A ALA 160.A N HIS 165.A O no hydrogen 2.909 N/A ASN 161.A ND2 TYR 189.A OH no hydrogen 2.276 N/A MET 166.A N GLN 298.A OE1 no hydrogen 2.942 N/A ALA 167.A N SER 158.A OG no hydrogen 3.030 N/A ASP 168.A N MET 137.A O no hydrogen 3.169 N/A GLY 171.A N ASP 168.A O no hydrogen 2.753 N/A GLY 171.A N ASP 168.A OD2 no hydrogen 3.356 N/A VAL 172.A N ASP 168.A O no hydrogen 2.842 N/A ALA 173.A N ILE 169.A O no hydrogen 2.796 N/A LYS 174.A N ALA 170.A O no hydrogen 3.171 N/A LYS 174.A NZ LYS 174.A O no hydrogen 3.156 N/A ILE 175.A N GLY 171.A O no hydrogen 3.060 N/A ALA 176.A N VAL 172.A O no hydrogen 2.913 N/A ARG 177.A N ALA 173.A O no hydrogen 2.933 N/A LYS 178.A N LYS 174.A O no hydrogen 3.107 N/A LYS 178.A NZ GLU 144.A OE2 no hydrogen 2.779 N/A HIS 179.A N ILE 175.A O no hydrogen 3.037 N/A HIS 179.A NE2 GLU 144.A OE1 no hydrogen 2.537 N/A GLY 180.A N ALA 176.A O no hydrogen 2.737 N/A ALA 181.A N ALA 176.A O no hydrogen 2.761 N/A THR 182.A N ARG 152.A O no hydrogen 2.805 N/A VAL 183.A N ASP 203.A OD2 no hydrogen 2.903 N/A VAL 184.A N ILE 154.A O no hydrogen 2.814 N/A VAL 185.A N LEU 204.A O no hydrogen 3.013 N/A ASP 186.A N PHE 156.A O no hydrogen 2.918 N/A ASN 187.A N VAL 206.A O no hydrogen 3.037 N/A ASN 187.A ND2 GLU 78.A OE2 no hydrogen 3.265 N/A ASN 187.A ND2 GLN 195.A O no hydrogen 2.611 N/A THR 188.A N ASP 186.A OD2 no hydrogen 3.261 N/A THR 188.A OG1 ASP 186.A OD2 no hydrogen 3.018 N/A CYS 190.A SG SER 158.A O no hydrogen 3.817 N/A THR 191.A N ASN 187.A O no hydrogen 3.102 N/A THR 191.A OG1 CYS 190.A O no hydrogen 2.332 N/A TYR 193.A N THR 191.A OG1 no hydrogen 3.304 N/A TYR 193.A OH ASP 266.A OD1 no hydrogen 2.496 N/A TYR 193.A OH ASP 266.A OD2 no hydrogen 3.394 N/A LEU 194.A N THR 191.A O no hydrogen 3.128 N/A GLN 195.A N THR 191.A O no hydrogen 3.207 N/A GLN 195.A NE2 SER 158.A O no hydrogen 2.856 N/A GLN 195.A NE2 ASN 187.A OD1 no hydrogen 2.714 N/A ARG 196.A NH1 PRO 192.A O no hydrogen 2.617 N/A GLU 199.A N ARG 196.A O no hydrogen 2.947 N/A LEU 200.A N PRO 197.A O no hydrogen 2.806 N/A GLY 201.A N LEU 198.A O no hydrogen 3.249 N/A ALA 202.A N PRO 197.A O no hydrogen 3.115 N/A ASP 203.A N VAL 183.A O no hydrogen 2.682 N/A LEU 204.A N VAL 183.A O no hydrogen 2.959 N/A VAL 205.A N VAL 224.A O no hydrogen 2.951 N/A VAL 206.A N VAL 185.A O no hydrogen 3.107 N/A HIS 207.A N ILE 222.A O no hydrogen 2.767 N/A SER 208.A N THR 188.A OG1 no hydrogen 2.929 N/A THR 210.A N ALA 220.A O no hydrogen 3.136 N/A THR 210.A OG1 ALA 220.A O no hydrogen 3.295 N/A SER 213.A N ALA 209.A O no hydrogen 2.986 N/A SER 213.A OG ASP 217.A OD1 no hydrogen 3.392 N/A HIS 215.A ND1 SER 213.A O no hydrogen 2.716 N/A ALA 220.A N THR 210.A OG1 no hydrogen 2.790 N/A GLY 221.A N LEU 86.A O no hydrogen 2.998 N/A ILE 222.A N HIS 207.A O no hydrogen 3.043 N/A VAL 223.A N LEU 84.A O no hydrogen 3.035 N/A VAL 224.A N VAL 205.A O no hydrogen 2.922 N/A GLY 225.A N ALA 82.A O no hydrogen 2.873 N/A VAL 230.A N SER 226.A O no hydrogen 2.939 N/A ASP 231.A N GLN 227.A O no hydrogen 2.681 N/A ARG 232.A N ALA 228.A O no hydrogen 3.072 N/A ILE 233.A N LEU 229.A O no hydrogen 2.940 N/A ARG 234.A N VAL 230.A O no hydrogen 2.716 N/A ARG 234.A NH1 ILE 62.A O no hydrogen 2.932 N/A ARG 234.A NH2 GLU 71.A OE2 no hydrogen 2.985 N/A LEU 235.A N ASP 231.A O no hydrogen 2.971 N/A GLN 236.A N ARG 232.A O no hydrogen 3.069 N/A LEU 238.A N ILE 233.A O no hydrogen 3.007 N/A LYS 239.A N THR 242.A O no hydrogen 2.989 N/A LYS 239.A NZ ASP 240.A OD1 no hydrogen 3.322 N/A ASP 240.A N GLN 236.A O no hydrogen 3.134 N/A MET 241.A N GLN 236.A O no hydrogen 3.293 N/A VAL 245.A N GLY 243.A O no hydrogen 2.456 N/A ALA 251.A N SER 247.A O no hydrogen 2.888 N/A ALA 252.A N PRO 248.A O no hydrogen 2.800 N/A LEU 253.A N HIS 249.A O no hydrogen 2.798 N/A LEU 254.A N ASP 250.A O no hydrogen 2.660 N/A MET 255.A N ALA 251.A O no hydrogen 2.805 N/A ARG 256.A N ALA 252.A O no hydrogen 3.198 N/A ARG 256.A N LEU 253.A O no hydrogen 3.197 N/A GLY 257.A N LEU 253.A O no hydrogen 3.082 N/A ILE 258.A N LEU 254.A O no hydrogen 3.027 N/A LYS 259.A N ARG 256.A O no hydrogen 3.180 N/A THR 260.A OG1 GLY 257.A O no hydrogen 3.464 N/A LEU 261.A N ILE 258.A O no hydrogen 3.046 N/A ARG 264.A N THR 260.A O no hydrogen 3.060 N/A ARG 264.A NH1 TYR 211.A O no hydrogen 2.793 N/A ARG 264.A NH2 TYR 211.A O no hydrogen 3.105 N/A ARG 264.A NH2 GLY 257.A O no hydrogen 2.639 N/A MET 265.A N LEU 261.A O no hydrogen 2.969 N/A ASP 266.A N ASN 262.A O no hydrogen 2.966 N/A ARG 267.A N LEU 263.A O no hydrogen 3.122 N/A HIS 268.A N ARG 264.A O no hydrogen 2.866 N/A HIS 268.A ND1 VAL 377.A O no hydrogen 2.715 N/A CYS 269.A N MET 265.A O no hydrogen 3.104 N/A CYS 269.A SG MET 265.A O no hydrogen 3.271 N/A ALA 270.A N ASP 266.A O no hydrogen 3.170 N/A ASN 271.A N ARG 267.A O no hydrogen 3.206 N/A ASN 271.A ND2 GLY 378.A O no hydrogen 3.102 N/A ASN 271.A ND2 GLU 380.A O no hydrogen 2.942 N/A ALA 272.A N HIS 268.A O no hydrogen 3.059 N/A GLN 273.A N CYS 269.A O no hydrogen 2.615 N/A VAL 274.A N ALA 270.A O no hydrogen 3.310 N/A LEU 275.A N ASN 271.A O no hydrogen 3.229 N/A ALA 276.A N ALA 272.A O no hydrogen 2.831 N/A GLU 277.A N GLN 273.A O no hydrogen 3.030 N/A PHE 278.A N VAL 274.A O no hydrogen 3.153 N/A LEU 279.A N LEU 275.A O no hydrogen 2.850 N/A ALA 280.A N ALA 276.A O no hydrogen 2.982 N/A ARG 281.A N PHE 278.A O no hydrogen 3.481 N/A GLN 282.A N LEU 279.A O no hydrogen 3.410 N/A GLN 284.A N GLN 284.A OE1 no hydrogen 3.028 N/A VAL 285.A N GLN 282.A O no hydrogen 3.223 N/A GLU 286.A N GLU 316.A O no hydrogen 3.025 N/A HIS 289.A N ALA 314.A O no hydrogen 2.769 N/A TYR 290.A OH GLY 310.A O no hydrogen 2.739 N/A LEU 293.A N TYR 290.A O no hydrogen 3.177 N/A PHE 296.A N LEU 293.A O no hydrogen 3.106 N/A GLN 298.A NE2 MET 166.A O no hydrogen 2.561 N/A TYR 299.A N PHE 296.A O no hydrogen 2.963 N/A ALA 302.A N GLN 298.A O no hydrogen 2.793 N/A ARG 303.A N TYR 299.A O no hydrogen 2.966 N/A GLN 304.A N LEU 301.A O no hydrogen 3.104 N/A GLN 305.A N LEU 301.A O no hydrogen 3.298 N/A GLN 305.A N ALA 302.A O no hydrogen 3.208 N/A GLN 305.A NE2 ALA 167.A O no hydrogen 2.902 N/A GLN 305.A NE2 GLN 195.A OE1 no hydrogen 3.668 N/A MET 306.A N ALA 302.A O no hydrogen 2.676 N/A SER 307.A N LEU 194.A O no hydrogen 2.591 N/A ILE 313.A N LEU 375.A O no hydrogen 3.404 N/A PHE 315.A N VAL 373.A O no hydrogen 3.128 N/A GLU 316.A N LEU 287.A O no hydrogen 2.754 N/A LEU 317.A N GLY 371.A O no hydrogen 2.735 N/A LYS 318.A N GLN 284.A O no hydrogen 2.493 N/A GLY 324.A N GLY 320.A O no hydrogen 3.190 N/A ARG 325.A N ILE 321.A O no hydrogen 2.899 N/A ARG 326.A N GLY 322.A O no hydrogen 2.970 N/A PHE 327.A N ALA 323.A O no hydrogen 2.712 N/A MET 328.A N GLY 324.A O no hydrogen 2.963 N/A ASN 329.A N ARG 325.A O no hydrogen 2.890 N/A ALA 330.A N ARG 326.A O no hydrogen 3.075 N/A GLN 332.A N ASP 388.A OD1 no hydrogen 2.943 N/A LEU 333.A N ASP 388.A OD2 no hydrogen 2.786 N/A PHE 334.A N ASP 388.A OD2 no hydrogen 2.725 N/A SER 335.A N SER 345.A O no hydrogen 2.909 N/A ARG 336.A NH1 MET 328.A O no hydrogen 2.792 N/A ARG 336.A NH1 LEU 331.A O no hydrogen 3.012 N/A ALA 337.A N ALA 347.A O no hydrogen 3.315 N/A GLY 341.A N SER 376.A OG no hydrogen 3.236 N/A SER 345.A N GLU 380.A OE1 no hydrogen 2.788 N/A SER 345.A OG GLU 380.A OE2 no hydrogen 2.773 N/A LEU 346.A N SER 376.A O no hydrogen 2.983 N/A ALA 347.A N SER 335.A O no hydrogen 2.939 N/A GLN 348.A N ARG 374.A O no hydrogen 2.575 N/A HIS 349.A ND1 SER 352.A OG no hydrogen 2.559 N/A HIS 349.A NE2 GLU 370.A O no hydrogen 2.917 N/A SER 352.A N HIS 349.A O no hydrogen 3.123 N/A SER 352.A OG HIS 349.A ND1 no hydrogen 2.559 N/A SER 352.A OG HIS 349.A O no hydrogen 3.321 N/A MET 353.A N PRO 350.A O no hydrogen 3.318 N/A THR 354.A OG1 HIS 355.A ND1 no hydrogen 3.305 N/A HIS 355.A N PRO 350.A O no hydrogen 2.697 N/A SER 356.A N MET 353.A O no hydrogen 3.168 N/A TYR 358.A N HIS 355.A O no hydrogen 3.140 N/A THR 359.A OG1 GLU 361.A OE2 no hydrogen 3.409 N/A GLU 362.A N THR 359.A OG1 no hydrogen 2.937 N/A ARG 363.A N THR 359.A O no hydrogen 2.631 N/A ARG 363.A NE GLU 370.A OE2 no hydrogen 3.512 N/A ARG 363.A NH1 HIS 355.A O no hydrogen 3.015 N/A ARG 363.A NH2 GLU 370.A OE1 no hydrogen 3.238 N/A ARG 363.A NH2 GLU 370.A OE2 no hydrogen 3.495 N/A ALA 364.A N PRO 360.A O no hydrogen 3.135 N/A TYR 366.A N GLU 362.A O no hydrogen 3.126 N/A TYR 366.A N ARG 363.A O no hydrogen 3.144 N/A GLY 367.A N ALA 364.A O no hydrogen 3.048 N/A ILE 368.A N ARG 363.A O no hydrogen 2.863 N/A SER 369.A OG GLU 316.A OE1 no hydrogen 2.465 N/A GLY 371.A N SER 369.A OG no hydrogen 3.209 N/A VAL 373.A N PHE 315.A O no hydrogen 3.100 N/A ARG 374.A N GLN 348.A O no hydrogen 2.608 N/A ARG 374.A NH2 SER 339.A O no hydrogen 3.402 N/A LEU 375.A N ILE 313.A O no hydrogen 3.028 N/A SER 376.A N LEU 346.A O no hydrogen 2.666 N/A VAL 377.A N GLY 311.A O no hydrogen 3.208 N/A GLY 378.A N SER 345.A OG no hydrogen 2.910 N/A LEU 379.A N ALA 343.A O no hydrogen 2.654 N/A GLU 380.A N GLU 380.A OE2 no hydrogen 2.859 N/A LEU 385.A N ASP 381.A O no hydrogen 3.009 N/A LEU 386.A N ILE 382.A O no hydrogen 2.471 N/A ALA 387.A N ASP 383.A O no hydrogen 3.014 N/A ASP 388.A N ASP 384.A O no hydrogen 2.977 N/A VAL 389.A N LEU 385.A O no hydrogen 3.101 N/A GLN 390.A N LEU 386.A O no hydrogen 2.854 N/A GLN 391.A N ALA 387.A O no hydrogen 3.131 N/A GLN 391.A NE2 ALA 330.A O no hydrogen 2.978 N/A GLN 391.A NE2 ASP 388.A O no hydrogen 2.697 N/A GLN 391.A NE2 ASP 388.A OD1 no hydrogen 2.897 N/A ALA 392.A N ASP 388.A O no hydrogen 3.126 N/A LEU 393.A N VAL 389.A O no hydrogen 2.997 N/A LYS 394.A N GLN 390.A O no hydrogen 3.352 N/A LYS 394.A NZ GLN 390.A OE1 no hydrogen 2.625 N/A ALA 395.A N GLN 391.A O no hydrogen 2.921 N/A ALA 395.A N ALA 392.A O no hydrogen 3.003 N/A SER 396.A N ALA 392.A O no hydrogen 2.658 N/A SER 396.A OG LEU 393.A O no hydrogen 2.835 N/A SER 396.A OG SER 396.A O no hydrogen 2.376 N/A ALA 397.A N ALA 395.A O no hydrogen 2.900 N/A