Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ALA 4.A O no hydrogen 3.157 N/A GLN 3.A NE2 TYR 276.A O no hydrogen 2.756 N/A GLU 5.A N ARG 77.A O no hydrogen 2.849 N/A ASN 7.A N ASP 101.A OD2 no hydrogen 2.824 N/A ASN 7.A ND2 LEU 99.A O no hydrogen 2.745 N/A ILE 8.A N SER 79.A O no hydrogen 2.706 N/A GLY 9.A N GLY 102.A O no hydrogen 3.016 N/A MET 10.A N ILE 81.A O no hydrogen 2.936 N/A VAL 11.A N ILE 104.A O no hydrogen 2.996 N/A GLY 12.A N HIS 121.A ND1 no hydrogen 2.718 N/A HIS 13.A ND1 VAL 14.A O no hydrogen 2.886 N/A VAL 14.A N GLN 117.A OE1 no hydrogen 2.818 N/A HIS 16.A N HIS 13.A O no hydrogen 3.213 N/A LYS 18.A NZ GLY 12.A O no hydrogen 2.921 N/A LYS 18.A NZ HIS 13.A O no hydrogen 3.126 N/A THR 19.A OG1 ASP 82.A OD2 no hydrogen 2.783 N/A LEU 21.A N GLY 17.A O no hydrogen 2.880 N/A THR 22.A N LYS 18.A O no hydrogen 2.912 N/A THR 22.A OG1 LYS 18.A O no hydrogen 2.865 N/A LYS 23.A N THR 19.A O no hydrogen 2.985 N/A ALA 24.A N THR 20.A O no hydrogen 2.986 N/A LEU 25.A N LEU 21.A O no hydrogen 2.985 N/A THR 26.A N THR 22.A O no hydrogen 2.859 N/A THR 26.A OG1 THR 22.A O no hydrogen 2.944 N/A THR 26.A OG1 LYS 23.A O no hydrogen 3.565 N/A VAL 28.A N LYS 23.A O no hydrogen 3.112 N/A LEU 35.A N GLU 33.A O no hydrogen 2.805 N/A ARG 36.A N GLU 33.A O no hydrogen 3.479 N/A GLY 38.A N ILE 43.A O no hydrogen 2.663 N/A THR 40.A OG1 THR 347.A O no hydrogen 2.528 N/A ILE 43.A N ILE 41.A O no hydrogen 2.639 N/A ALA 46.A N PHE 80.A O no hydrogen 2.939 N/A ALA 48.A N VAL 78.A O no hydrogen 2.976 N/A ILE 50.A N ARG 76.A O no hydrogen 2.689 N/A ARG 51.A N SER 60.A O no hydrogen 2.783 N/A ARG 51.A NE THR 72.A OG1 no hydrogen 2.907 N/A ARG 51.A NH2 THR 72.A O no hydrogen 2.932 N/A ARG 52.A N GLU 73.A O no hydrogen 2.948 N/A CYS 53.A N ARG 58.A O no hydrogen 2.992 N/A ARG 58.A NE ASP 181.A OD2 no hydrogen 3.031 N/A ARG 58.A NH2 ASP 181.A OD2 no hydrogen 3.351 N/A SER 60.A N ARG 51.A O no hydrogen 2.965 N/A THR 61.A OG1 LEU 25.A O no hydrogen 2.777 N/A SER 62.A OG VAL 64.A O no hydrogen 3.118 N/A VAL 64.A N SER 62.A OG no hydrogen 3.214 N/A CYS 65.A N HIS 70.A O no hydrogen 2.647 N/A CYS 68.A SG ASN 55.A OD1 no hydrogen 3.793 N/A GLY 69.A N CYS 65.A O no hydrogen 2.924 N/A THR 72.A N PRO 63.A O no hydrogen 2.912 N/A THR 72.A OG1 SER 62.A O no hydrogen 2.650 N/A GLU 73.A N ARG 52.A O no hydrogen 2.808 N/A VAL 75.A N ILE 50.A O no hydrogen 2.922 N/A ARG 76.A N ILE 50.A O no hydrogen 3.178 N/A ARG 76.A NE GLU 188.A OE2 no hydrogen 2.901 N/A ARG 76.A NH1 ILE 191.A O no hydrogen 2.942 N/A ARG 76.A NH1 THR 193.A OG1 no hydrogen 2.930 N/A ARG 76.A NH2 ILE 187.A O no hydrogen 3.253 N/A ARG 76.A NH2 GLU 188.A OE2 no hydrogen 2.863 N/A ARG 76.A NH2 ILE 191.A O no hydrogen 3.027 N/A ARG 77.A NE ASP 47.A OD2 no hydrogen 2.901 N/A VAL 78.A N ALA 48.A O no hydrogen 2.902 N/A SER 79.A N VAL 6.A O no hydrogen 2.979 N/A SER 79.A OG ASP 47.A OD1 no hydrogen 2.891 N/A PHE 80.A N ALA 46.A O no hydrogen 2.849 N/A ILE 81.A N ILE 8.A O no hydrogen 2.793 N/A ASP 82.A N GLY 44.A O no hydrogen 3.287 N/A HIS 86.A ND1 HIS 121.A NE2 no hydrogen 2.713 N/A HIS 86.A NE2 GLU 120.A OE1 no hydrogen 2.394 N/A LEU 89.A N GLY 85.A O no hydrogen 3.268 N/A MET 90.A N HIS 86.A O no hydrogen 3.093 N/A THR 91.A N GLU 87.A O no hydrogen 3.104 N/A THR 91.A OG1 GLU 87.A O no hydrogen 2.743 N/A THR 92.A N ALA 88.A O no hydrogen 2.942 N/A THR 92.A OG1 ALA 88.A O no hydrogen 2.829 N/A MET 93.A N LEU 89.A O no hydrogen 2.938 N/A LEU 94.A N MET 90.A O no hydrogen 3.151 N/A ALA 95.A N THR 91.A O no hydrogen 2.904 N/A GLY 96.A N THR 92.A O no hydrogen 2.860 N/A LEU 99.A N GLY 96.A O no hydrogen 2.822 N/A MET 100.A N ALA 97.A O no hydrogen 3.045 N/A ASP 101.A N ASN 7.A O no hydrogen 2.816 N/A ALA 103.A N ASN 132.A O no hydrogen 2.982 N/A ILE 104.A N GLY 9.A O no hydrogen 2.850 N/A LEU 105.A N ILE 134.A O no hydrogen 2.801 N/A VAL 106.A N VAL 11.A O no hydrogen 2.786 N/A ILE 107.A N ALA 136.A O no hydrogen 2.919 N/A ALA 108.A N HIS 16.A ND1 no hydrogen 3.086 N/A ALA 109.A N ASN 138.A O no hydrogen 2.817 N/A GLU 111.A N ALA 108.A O no hydrogen 3.260 N/A ARG 119.A N ARG 115.A O no hydrogen 3.132 N/A GLU 120.A N PRO 116.A O no hydrogen 2.821 N/A HIS 121.A N GLN 117.A O no hydrogen 2.881 N/A LEU 122.A N THR 118.A O no hydrogen 3.124 N/A MET 123.A N ARG 119.A O no hydrogen 3.026 N/A ALA 124.A N GLU 120.A O no hydrogen 2.965 N/A LEU 125.A N HIS 121.A O no hydrogen 3.007 N/A GLN 126.A N LEU 122.A O no hydrogen 2.882 N/A ILE 127.A N MET 123.A O no hydrogen 2.976 N/A ILE 128.A N ALA 124.A O no hydrogen 3.083 N/A GLY 129.A N GLN 126.A O no hydrogen 3.224 N/A GLN 130.A N LEU 125.A O no hydrogen 3.021 N/A ASN 132.A N GLN 130.A OE1 no hydrogen 3.008 N/A ASN 132.A ND2 ASP 101.A O no hydrogen 3.241 N/A ASN 132.A ND2 GLN 130.A OE1 no hydrogen 3.091 N/A ILE 133.A N LYS 131.A O no hydrogen 2.883 N/A ILE 134.A N ALA 103.A O no hydrogen 2.966 N/A ILE 135.A N PRO 168.A O no hydrogen 3.010 N/A ALA 136.A N LEU 105.A O no hydrogen 2.886 N/A GLN 137.A N ILE 170.A O no hydrogen 2.814 N/A ASN 138.A N ILE 107.A O no hydrogen 2.839 N/A ASN 138.A ND2 ILE 172.A O no hydrogen 3.595 N/A LYS 139.A NZ ASP 15.A O no hydrogen 2.757 N/A ILE 140.A N ILE 172.A O no hydrogen 3.086 N/A GLU 141.A N GLU 141.A OE2 no hydrogen 2.612 N/A LEU 142.A N LYS 139.A O no hydrogen 2.973 N/A VAL 143.A N ILE 140.A O no hydrogen 3.464 N/A LYS 147.A N ASP 144.A OD1 no hydrogen 2.696 N/A ALA 148.A N ASP 144.A O no hydrogen 2.969 N/A LEU 149.A N LYS 145.A O no hydrogen 3.010 N/A GLU 150.A N GLU 146.A O no hydrogen 2.909 N/A ASN 151.A N LYS 147.A O no hydrogen 2.823 N/A ASN 151.A ND2 GLN 137.A OE1 no hydrogen 2.751 N/A TYR 152.A N ALA 148.A O no hydrogen 3.074 N/A ARG 153.A N LEU 149.A O no hydrogen 3.019 N/A ARG 153.A NH1 GLU 150.A OE1 no hydrogen 3.133 N/A GLN 154.A N GLU 150.A O no hydrogen 3.023 N/A ILE 155.A N ASN 151.A O no hydrogen 2.984 N/A LYS 156.A N TYR 152.A O no hydrogen 2.980 N/A GLU 157.A N ARG 153.A O no hydrogen 2.919 N/A PHE 158.A N GLN 154.A O no hydrogen 2.788 N/A ILE 159.A N ILE 155.A O no hydrogen 2.884 N/A GLU 160.A N GLU 157.A O no hydrogen 3.391 N/A GLY 161.A N GLU 165.A OE2 no hydrogen 2.694 N/A THR 162.A N ILE 159.A O no hydrogen 2.980 N/A THR 162.A OG1 ILE 159.A O no hydrogen 2.628 N/A VAL 163.A N GLN 126.A OE1 no hydrogen 2.935 N/A ALA 164.A N THR 162.A OG1 no hydrogen 3.163 N/A GLU 165.A N THR 162.A O no hydrogen 3.033 N/A ALA 167.A N ALA 164.A O no hydrogen 2.993 N/A ILE 170.A N ILE 135.A O no hydrogen 2.827 N/A ILE 172.A N GLN 137.A O no hydrogen 2.912 N/A SER 173.A N ALA 178.A O no hydrogen 3.177 N/A SER 173.A OG GLU 141.A OE2 no hydrogen 3.310 N/A HIS 176.A N SER 173.A OG no hydrogen 3.187 N/A ALA 178.A N SER 173.A O no hydrogen 2.944 N/A ASN 179.A ND2 PRO 171.A O no hydrogen 2.747 N/A VAL 184.A N ILE 180.A O no hydrogen 2.845 N/A LYS 185.A N ASP 181.A O no hydrogen 2.979 N/A LYS 185.A NZ ASP 189.A OD2 no hydrogen 2.723 N/A ALA 186.A N VAL 182.A O no hydrogen 3.067 N/A ILE 187.A N LEU 183.A O no hydrogen 3.002 N/A ILE 187.A N VAL 184.A O no hydrogen 3.071 N/A GLU 188.A N VAL 184.A O no hydrogen 3.341 N/A ASP 189.A N LYS 185.A O no hydrogen 3.027 N/A PHE 190.A N ALA 186.A O no hydrogen 2.705 N/A ILE 191.A N ILE 187.A O no hydrogen 2.994 N/A THR 193.A OG1 GLU 5.A OE1 no hydrogen 2.697 N/A ARG 196.A NH1 GLU 5.A O no hydrogen 3.106 N/A ARG 196.A NH2 GLU 5.A O no hydrogen 3.021 N/A ARG 196.A NH2 ASP 101.A OD1 no hydrogen 3.111 N/A ASN 199.A N ASP 197.A OD1 no hydrogen 2.794 N/A LYS 200.A N ASP 197.A O no hydrogen 3.318 N/A LYS 203.A N GLN 230.A O no hydrogen 3.014 N/A MET 204.A N VAL 302.A O no hydrogen 2.877 N/A LEU 205.A N SER 227.A O no hydrogen 2.758 N/A VAL 206.A N ASN 300.A O no hydrogen 2.909 N/A LEU 207.A N GLY 225.A O no hydrogen 2.681 N/A ARG 208.A N GLY 225.A O no hydrogen 2.831 N/A ARG 208.A NE ASP 295.A OD1 no hydrogen 2.644 N/A ARG 208.A NE ASP 295.A OD2 no hydrogen 3.205 N/A ARG 208.A NH1 ARG 37.A O no hydrogen 2.934 N/A ARG 208.A NH2 ASP 295.A OD2 no hydrogen 3.404 N/A SER 209.A N ASP 295.A OD1 no hydrogen 2.946 N/A SER 209.A OG THR 292.A O no hydrogen 2.581 N/A PHE 210.A N VAL 223.A O no hydrogen 2.894 N/A ASN 213.A ND2 ASP 211.A OD1 no hydrogen 2.918 N/A ASN 213.A ND2 VAL 220.A O no hydrogen 2.848 N/A VAL 220.A N ASN 213.A OD1 no hydrogen 2.827 N/A GLY 222.A N LEU 287.A O no hydrogen 2.828 N/A VAL 223.A N PHE 210.A O no hydrogen 3.184 N/A LEU 224.A N VAL 283.A O no hydrogen 2.898 N/A GLY 225.A N ARG 208.A O no hydrogen 2.637 N/A GLY 226.A N VAL 281.A O no hydrogen 3.052 N/A SER 227.A N LEU 205.A O no hydrogen 2.982 N/A VAL 229.A N LYS 203.A O no hydrogen 2.847 N/A GLN 230.A NE2 PRO 201.A O no hydrogen 2.632 N/A LYS 232.A NZ GLU 274.A OE1 no hydrogen 3.366 N/A LEU 233.A N ALA 275.A O no hydrogen 2.980 N/A LYS 234.A N ASP 237.A OD2 no hydrogen 2.920 N/A VAL 235.A N GLU 273.A O no hydrogen 2.945 N/A GLY 236.A N ILE 262.A O no hydrogen 2.800 N/A ASP 237.A N LYS 234.A O no hydrogen 2.862 N/A ILE 239.A N THR 260.A O no hydrogen 2.884 N/A GLU 240.A N GLY 303.A O no hydrogen 2.753 N/A ILE 241.A N ILE 258.A O no hydrogen 2.762 N/A ARG 242.A N VAL 301.A O no hydrogen 3.095 N/A ARG 242.A NE GLU 240.A OE1 no hydrogen 2.532 N/A ARG 242.A NH1 PRO 309.A O no hydrogen 2.878 N/A ARG 242.A NH2 GLU 240.A OE1 no hydrogen 3.171 N/A GLY 244.A N ASN 300.A OD1 no hydrogen 2.930 N/A VAL 245.A N GLU 256.A O no hydrogen 3.041 N/A TYR 247.A N LYS 254.A O no hydrogen 2.872 N/A GLU 249.A N ARG 252.A O no hydrogen 2.866 N/A GLY 251.A N GLU 248.A OE2 no hydrogen 2.875 N/A ARG 252.A N GLU 249.A O no hydrogen 3.126 N/A LYS 254.A N TYR 247.A O no hydrogen 2.828 N/A LYS 254.A NZ GLU 249.A OE1 no hydrogen 3.157 N/A GLU 256.A N VAL 245.A O no hydrogen 2.902 N/A ILE 258.A N ILE 241.A O no hydrogen 3.093 N/A THR 260.A N ILE 239.A O no hydrogen 2.871 N/A GLU 261.A N THR 260.A OG1 no hydrogen 2.706 N/A ILE 262.A N ASP 237.A O no hydrogen 2.843 N/A VAL 263.A N GLY 284.A O no hydrogen 2.724 N/A SER 264.A N GLY 284.A O no hydrogen 3.341 N/A GLN 266.A N GLY 282.A O no hydrogen 2.936 N/A ALA 267.A N GLN 270.A O no hydrogen 3.009 N/A GLN 270.A N ALA 267.A O no hydrogen 3.252 N/A VAL 272.A N LEU 265.A O no hydrogen 2.773 N/A ALA 275.A N LEU 233.A O no hydrogen 2.885 N/A TYR 276.A N GLN 3.A OE1 no hydrogen 2.961 N/A TYR 276.A OH GLU 274.A OE2 no hydrogen 2.822 N/A GLY 279.A N ASN 7.A OD1 no hydrogen 2.714 N/A VAL 281.A N GLY 226.A O no hydrogen 2.896 N/A GLY 282.A N GLN 266.A O no hydrogen 2.888 N/A VAL 283.A N LEU 224.A O no hydrogen 2.622 N/A GLY 284.A N SER 264.A O no hydrogen 2.951 N/A THR 285.A N GLY 222.A O no hydrogen 2.984 N/A THR 285.A OG1 GLY 222.A O no hydrogen 2.821 N/A LYS 286.A N THR 260.A OG1 no hydrogen 3.249 N/A LYS 286.A NZ GLU 261.A OE2 no hydrogen 3.078 N/A LEU 287.A N THR 285.A OG1 no hydrogen 3.000 N/A TYR 290.A N ASP 288.A OD2 no hydrogen 3.106 N/A LEU 291.A N ASP 288.A O no hydrogen 2.678 N/A THR 292.A N PRO 289.A O no hydrogen 3.108 N/A THR 292.A OG1 PHE 210.A O no hydrogen 2.678 N/A THR 292.A OG1 PRO 289.A O no hydrogen 3.341 N/A LYS 293.A N PRO 289.A O no hydrogen 2.891 N/A LYS 293.A NZ ASP 211.A OD2 no hydrogen 3.463 N/A ASP 295.A N SER 209.A O no hydrogen 2.857 N/A MET 297.A N SER 209.A OG no hydrogen 3.037 N/A ALA 298.A N ASP 295.A O no hydrogen 3.129 N/A GLY 299.A N VAL 206.A O no hydrogen 2.776 N/A ASN 300.A N MET 297.A O no hydrogen 3.043 N/A VAL 301.A N ARG 242.A O no hydrogen 2.802 N/A VAL 302.A N MET 204.A O no hydrogen 2.802 N/A GLY 303.A N GLU 240.A O no hydrogen 3.166 N/A LYS 307.A N LYS 304.A O no hydrogen 2.794 N/A TRP 312.A N VAL 370.A O no hydrogen 2.768 N/A TRP 312.A NE1 ALA 372.A O no hydrogen 2.768 N/A LEU 315.A N VAL 364.A O no hydrogen 2.824 N/A LEU 317.A N ILE 362.A O no hydrogen 2.807 N/A GLU 318.A N ILE 395.A O no hydrogen 2.937 N/A VAL 319.A N ASP 360.A O no hydrogen 2.826 N/A HIS 320.A N TYR 393.A O no hydrogen 2.879 N/A HIS 320.A NE2 GLU 318.A OE1 no hydrogen 2.903 N/A LEU 322.A N ILE 391.A O no hydrogen 2.852 N/A VAL 325.A N GLU 120.A OE2 no hydrogen 3.356 N/A VAL 326.A N GLU 120.A OE2 no hydrogen 3.073 N/A LYS 336.A N GLU 339.A OE1 no hydrogen 3.343 N/A LYS 338.A N VAL 354.A O no hydrogen 2.852 N/A GLU 339.A N LYS 336.A O no hydrogen 3.147 N/A LEU 341.A N GLY 352.A O no hydrogen 2.786 N/A LEU 342.A N SER 381.A O no hydrogen 3.017 N/A LEU 343.A N THR 350.A O no hydrogen 2.744 N/A ASN 344.A N ALA 379.A O no hydrogen 3.063 N/A VAL 345.A N ALA 348.A O no hydrogen 3.053 N/A GLY 346.A N ALA 95.A O no hydrogen 2.921 N/A THR 347.A OG1 VAL 206.A O no hydrogen 2.779 N/A ALA 348.A N VAL 345.A O no hydrogen 2.898 N/A THR 350.A N LEU 343.A O no hydrogen 2.943 N/A THR 350.A OG1 MET 351.A O no hydrogen 2.858 N/A THR 350.A OG1 ILE 368.A O no hydrogen 3.523 N/A GLY 352.A N LEU 341.A O no hydrogen 2.690 N/A LEU 353.A N LYS 365.A O no hydrogen 2.827 N/A VAL 354.A N GLU 339.A O no hydrogen 2.995 N/A THR 355.A N GLU 363.A O no hydrogen 2.801 N/A THR 355.A OG1 GLU 363.A O no hydrogen 3.404 N/A GLY 358.A N GLU 361.A O no hydrogen 2.761 N/A GLU 361.A N GLY 358.A O no hydrogen 3.208 N/A ILE 362.A N LEU 317.A O no hydrogen 3.044 N/A GLU 363.A N GLY 356.A O no hydrogen 2.856 N/A VAL 364.A N LEU 315.A O no hydrogen 2.832 N/A LYS 365.A N LEU 353.A O no hydrogen 2.805 N/A LEU 366.A N ASP 313.A O no hydrogen 2.957 N/A GLN 367.A N MET 351.A O no hydrogen 3.069 N/A ILE 368.A N THR 350.A OG1 no hydrogen 2.974 N/A VAL 370.A N TRP 312.A O no hydrogen 3.091 N/A CYS 371.A SG PRO 309.A O no hydrogen 3.349 N/A CYS 371.A SG PRO 310.A O no hydrogen 3.803 N/A ALA 372.A N PRO 310.A O no hydrogen 3.069 N/A GLU 373.A N ASP 376.A OD2 no hydrogen 2.869 N/A GLY 375.A N ILE 396.A O no hydrogen 2.758 N/A ASP 376.A N GLU 373.A O no hydrogen 2.967 N/A VAL 378.A N GLY 394.A O no hydrogen 2.743 N/A ALA 379.A N ASN 344.A O no hydrogen 2.773 N/A ILE 380.A N GLY 392.A O no hydrogen 2.941 N/A SER 381.A N LEU 342.A O no hydrogen 2.894 N/A ARG 382.A N ARG 389.A O no hydrogen 2.740 N/A ARG 382.A NE GLU 339.A OE2 no hydrogen 2.572 N/A ARG 382.A NH1 GLU 333.A O no hydrogen 2.787 N/A ARG 382.A NH2 GLU 333.A O no hydrogen 2.933 N/A ARG 382.A NH2 GLU 339.A OE1 no hydrogen 3.238 N/A ARG 382.A NH2 GLU 339.A OE2 no hydrogen 3.324 N/A ILE 384.A N ARG 387.A O no hydrogen 2.775 N/A ARG 387.A N ILE 384.A O no hydrogen 3.131 N/A ARG 389.A N ARG 382.A O no hydrogen 2.722 N/A LEU 390.A N GLU 87.A OE1 no hydrogen 3.081 N/A ILE 391.A N ILE 380.A O no hydrogen 2.878 N/A TYR 393.A N HIS 320.A O no hydrogen 2.977 N/A GLY 394.A N VAL 378.A O no hydrogen 2.752 N/A ILE 395.A N GLU 318.A O no hydrogen 2.841 N/A ILE 396.A N ASP 376.A O no hydrogen 3.044 N/A LYS 397.A N ARG 316.A O no hydrogen 2.909 N/A LYS 397.A NZ GLU 361.A OE2 no hydrogen 2.527 N/A