Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4k40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N PHE 297.A O no hydrogen 2.752 N/A TYR 5.A N THR 295.A O no hydrogen 2.936 N/A GLY 6.A N ASP 4.A OD1 no hydrogen 3.154 N/A ALA 8.A N ASP 4.A OD2 no hydrogen 2.775 N/A ALA 10.A N ASN 7.A O no hydrogen 3.094 N/A SER 11.A N ALA 8.A O no hydrogen 2.852 N/A SER 11.A OG ALA 8.A O no hydrogen 2.642 N/A MET 14.A N SER 11.A OG no hydrogen 3.118 N/A LYS 15.A N SER 11.A O no hydrogen 3.298 N/A LYS 16.A N PRO 12.A O no hydrogen 3.090 N/A LYS 16.A NZ THR 27.A O no hydrogen 2.892 N/A LYS 16.A NZ ASP 215.A OD1 no hydrogen 3.194 N/A LYS 16.A NZ ASP 215.A OD2 no hydrogen 2.992 N/A LEU 17.A N TRP 13.A O no hydrogen 2.910 N/A GLN 18.A N MET 14.A O no hydrogen 2.919 N/A GLN 18.A NE2 VAL 346.A O no hydrogen 3.475 N/A SER 19.A N LYS 15.A O no hydrogen 3.075 N/A VAL 20.A N LYS 16.A O no hydrogen 2.944 N/A ALA 21.A N LEU 17.A O no hydrogen 2.988 N/A GLN 22.A N GLN 18.A O no hydrogen 3.276 N/A GLY 23.A N VAL 20.A O no hydrogen 2.823 N/A SER 24.A N SER 19.A O no hydrogen 2.839 N/A SER 24.A OG SER 19.A O no hydrogen 3.254 N/A GLU 26.A N SER 24.A OG no hydrogen 3.194 N/A PHE 28.A N GLY 182.A O no hydrogen 2.721 N/A ARG 29.A N ASP 215.A OD2 no hydrogen 2.855 N/A ARG 29.A NE GLU 177.A OE2 no hydrogen 2.723 N/A ARG 29.A NH1 GLY 213.A O no hydrogen 3.286 N/A ARG 29.A NH2 GLU 177.A OE1 no hydrogen 3.393 N/A ILE 30.A N THR 184.A O no hydrogen 2.657 N/A LEU 31.A N LEU 216.A O no hydrogen 2.933 N/A GLN 32.A N SER 186.A O no hydrogen 2.845 N/A GLN 32.A NE2 THR 38.A OG1 no hydrogen 3.143 N/A ILE 33.A N ILE 218.A O no hydrogen 2.973 N/A GLY 34.A N MET 188.A O no hydrogen 3.058 N/A ASP 35.A N SER 220.A O no hydrogen 3.210 N/A HIS 37.A ND1 TYR 331.A OH no hydrogen 2.821 N/A HIS 37.A NE2 THR 223.A OG1 no hydrogen 3.121 N/A ALA 39.A N ASP 35.A O no hydrogen 2.866 N/A GLY 40.A N SER 36.A O no hydrogen 2.966 N/A ASP 41.A N THR 38.A O no hydrogen 3.036 N/A THR 44.A OG1 ASP 41.A OD1 no hydrogen 2.575 N/A ASP 45.A N ASP 41.A O no hydrogen 2.755 N/A SER 46.A N PHE 42.A O no hydrogen 3.131 N/A LEU 47.A N PHE 43.A O no hydrogen 2.984 N/A ARG 48.A N THR 44.A O no hydrogen 2.732 N/A ARG 48.A NE ASP 45.A OD1 no hydrogen 3.327 N/A ARG 48.A NH1 VAL 185.A O no hydrogen 2.409 N/A ARG 48.A NH2 ASP 41.A OD1 no hydrogen 2.997 N/A ARG 48.A NH2 ASP 45.A OD1 no hydrogen 3.492 N/A LYS 49.A N ASP 45.A O no hydrogen 3.017 N/A ARG 50.A N SER 46.A O no hydrogen 3.228 N/A ARG 50.A NH2 ASP 340.A OD1 no hydrogen 2.596 N/A LEU 51.A N LEU 47.A O no hydrogen 3.032 N/A GLN 52.A N ARG 48.A O no hydrogen 2.946 N/A GLN 52.A NE2 GLY 59.A O no hydrogen 2.825 N/A GLN 52.A NE2 ILE 183.A O no hydrogen 2.946 N/A THR 54.A N ARG 50.A O no hydrogen 2.964 N/A THR 54.A OG1 ARG 50.A O no hydrogen 3.132 N/A THR 54.A OG1 GLU 343.A OE2 no hydrogen 2.810 N/A TRP 55.A N LEU 51.A O no hydrogen 3.017 N/A GLY 56.A N GLN 52.A O no hydrogen 2.716 N/A GLY 58.A N ILE 183.A O no hydrogen 2.949 N/A GLY 59.A N ASP 57.A OD1 no hydrogen 3.128 N/A GLY 61.A N ILE 176.A O no hydrogen 3.184 N/A TRP 62.A N SER 186.A OG no hydrogen 2.722 N/A TRP 62.A NE1 THR 212.A O no hydrogen 3.270 N/A VAL 63.A N ILE 174.A O no hydrogen 2.788 N/A GLN 71.A N VAL 68.A O no hydrogen 2.904 N/A ARG 72.A N ALA 39.A O no hydrogen 3.077 N/A ARG 72.A NH1 GLY 40.A O no hydrogen 2.986 N/A ALA 74.A N ASP 41.A OD2 no hydrogen 2.639 N/A ARG 77.A N THR 112.A O no hydrogen 2.809 N/A HIS 78.A NE2 TYR 64.A O no hydrogen 2.658 N/A ASN 79.A N THR 110.A O no hydrogen 2.909 N/A ASN 81.A N SER 108.A O no hydrogen 2.913 N/A ASN 81.A ND2 GLY 106.A O no hydrogen 3.676 N/A GLN 83.A N HIS 102.A O no hydrogen 3.059 N/A GLN 83.A NE2 SER 84.A O no hydrogen 3.538 N/A SER 84.A OG ASN 67.A O no hydrogen 2.429 N/A LEU 85.A N LEU 100.A O no hydrogen 2.944 N/A SER 87.A N GLY 98.A O no hydrogen 2.971 N/A ARG 88.A N THR 86.A OG1 no hydrogen 3.253 N/A LEU 96.A N ASP 208.A OD2 no hydrogen 3.217 N/A GLY 98.A N PRO 95.A O no hydrogen 3.168 N/A LEU 100.A N LEU 85.A O no hydrogen 3.235 N/A ALA 101.A N ILE 171.A O no hydrogen 2.889 N/A HIS 102.A N GLN 83.A O no hydrogen 2.972 N/A THR 103.A N TRP 169.A O no hydrogen 2.977 N/A THR 103.A OG1 GLY 104.A O no hydrogen 3.214 N/A THR 103.A OG1 THR 165.A OG1 no hydrogen 3.157 N/A THR 103.A OG1 TRP 169.A O no hydrogen 3.291 N/A GLY 106.A N GLU 166.A O no hydrogen 2.937 N/A GLY 107.A N THR 165.A O no hydrogen 2.828 N/A SER 108.A N ASN 81.A OD1 no hydrogen 2.766 N/A SER 108.A OG HIS 164.A ND1 no hydrogen 3.342 N/A MET 109.A N ILE 163.A O no hydrogen 3.198 N/A THR 110.A N ASN 79.A O no hydrogen 2.853 N/A THR 110.A OG1 THR 162.A OG1 no hydrogen 3.302 N/A LEU 111.A N LEU 161.A O no hydrogen 2.885 N/A THR 112.A N ARG 77.A O no hydrogen 2.981 N/A SER 114.A N ALA 75.A O no hydrogen 3.500 N/A SER 114.A OG ALA 74.A O no hydrogen 3.367 N/A SER 119.A N ILE 117.A O no hydrogen 3.017 N/A GLN 121.A N ALA 157.A O no hydrogen 2.423 N/A ARG 122.A N GLU 177.A O no hydrogen 2.988 N/A ARG 122.A NH1 GLU 177.A OE1 no hydrogen 3.147 N/A VAL 123.A N THR 155.A O no hydrogen 3.207 N/A SER 124.A N ASN 175.A O no hydrogen 2.922 N/A SER 124.A OG ASP 154.A OD1 no hydrogen 3.042 N/A LEU 125.A N LEU 153.A O no hydrogen 3.088 N/A PHE 126.A N PHE 173.A O no hydrogen 2.992 N/A ALA 127.A N GLN 151.A O no hydrogen 2.849 N/A LYS 128.A N ASP 170.A O no hydrogen 2.802 N/A LYS 128.A NZ ASP 93.A OD2 no hydrogen 2.583 N/A LEU 130.A N PRO 168.A O no hydrogen 3.379 N/A LEU 131.A N GLN 134.A OE1 no hydrogen 2.850 N/A GLN 134.A NE2 PRO 168.A O no hydrogen 2.929 N/A LEU 136.A N VAL 143.A O no hydrogen 2.935 N/A THR 137.A N HIS 164.A O no hydrogen 2.824 N/A VAL 138.A N ASN 141.A O no hydrogen 2.977 N/A ASN 139.A N THR 162.A O no hydrogen 2.998 N/A ASN 139.A ND2 ALA 158.A O no hydrogen 3.395 N/A ASN 141.A N VAL 138.A O no hydrogen 3.348 N/A VAL 143.A N LEU 136.A O no hydrogen 2.746 N/A ALA 145.A N GLN 134.A O no hydrogen 2.993 N/A ASN 146.A N GLN 151.A OE1 no hydrogen 2.920 N/A GLY 147.A N GLU 133.A OE1 no hydrogen 3.172 N/A GLY 147.A N GLU 133.A OE2 no hydrogen 3.115 N/A GLN 151.A N ALA 127.A O no hydrogen 2.896 N/A GLN 151.A NE2 ASN 146.A O no hydrogen 3.545 N/A GLN 151.A NE2 GLY 147.A O no hydrogen 3.083 N/A GLN 151.A NE2 GLY 149.A O no hydrogen 3.065 N/A LEU 153.A N LEU 125.A O no hydrogen 2.968 N/A THR 155.A N VAL 123.A O no hydrogen 2.852 N/A GLY 156.A N THR 155.A OG1 no hydrogen 2.555 N/A ALA 157.A N GLN 121.A O no hydrogen 3.008 N/A LEU 161.A N LEU 111.A O no hydrogen 2.947 N/A THR 162.A N ASN 139.A OD1 no hydrogen 2.986 N/A THR 162.A OG1 THR 110.A OG1 no hydrogen 3.302 N/A ILE 163.A N MET 109.A O no hydrogen 2.889 N/A HIS 164.A N THR 137.A O no hydrogen 3.024 N/A THR 165.A N GLY 107.A O no hydrogen 3.032 N/A THR 165.A OG1 GLY 104.A O no hydrogen 3.401 N/A TRP 169.A N THR 103.A OG1 no hydrogen 2.830 N/A TRP 169.A NE1 THR 135.A O no hydrogen 3.138 N/A ASP 170.A N LYS 128.A O no hydrogen 2.861 N/A ILE 171.A N ALA 101.A O no hydrogen 2.874 N/A GLY 172.A N PHE 126.A O no hydrogen 2.759 N/A ILE 174.A N VAL 63.A O no hydrogen 2.869 N/A ASN 175.A N SER 124.A O no hydrogen 2.493 N/A ASN 175.A ND2 GLU 177.A OE2 no hydrogen 2.530 N/A ILE 176.A N GLY 61.A O no hydrogen 2.869 N/A GLU 177.A N ARG 122.A O no hydrogen 2.940 N/A ASN 178.A N GLY 58.A O no hydrogen 2.684 N/A ASN 178.A ND2 ASP 57.A O no hydrogen 3.061 N/A ALA 180.A N ASN 178.A OD1 no hydrogen 3.159 N/A GLY 181.A N ASN 178.A O no hydrogen 2.870 N/A GLY 182.A N GLU 26.A O no hydrogen 2.858 N/A ILE 183.A N GLY 56.A O no hydrogen 2.907 N/A THR 184.A N PHE 28.A O no hydrogen 3.058 N/A SER 186.A N ILE 30.A O no hydrogen 2.732 N/A MET 188.A N GLN 32.A O no hydrogen 2.793 N/A ILE 190.A N GLY 34.A O no hydrogen 2.967 N/A ASN 191.A ND2 GLY 70.A O no hydrogen 2.810 N/A GLY 192.A N SER 36.A OG no hydrogen 2.973 N/A ALA 193.A N ILE 190.A O no hydrogen 3.310 N/A GLN 194.A N GLN 197.A OE1 no hydrogen 2.609 N/A LEU 195.A N GLU 225.A OE2 no hydrogen 3.139 N/A GLN 197.A N GLN 194.A O no hydrogen 2.900 N/A TRP 198.A N LEU 195.A O no hydrogen 3.429 N/A TRP 198.A NE1 TYR 221.A OH no hydrogen 2.794 N/A SER 199.A N THR 196.A O no hydrogen 3.397 N/A SER 199.A OG THR 196.A O no hydrogen 3.257 N/A LYS 200.A N GLN 197.A O no hydrogen 3.272 N/A LYS 200.A NZ SER 87.A O no hydrogen 2.973 N/A TRP 201.A N TRP 198.A O no hydrogen 2.868 N/A TRP 201.A NE1 SER 87.A OG no hydrogen 3.120 N/A ARG 202.A N PHE 94.A O no hydrogen 2.929 N/A ARG 202.A NE ASP 208.A OD2 no hydrogen 2.793 N/A ARG 202.A NH2 ASP 208.A OD1 no hydrogen 3.058 N/A ARG 205.A N ARG 202.A O no hydrogen 3.130 N/A ARG 205.A NH1 ARG 202.A O no hydrogen 3.019 N/A ASP 208.A N ASP 204.A O no hydrogen 3.108 N/A LEU 209.A N ARG 205.A O no hydrogen 2.813 N/A ALA 210.A N MET 206.A O no hydrogen 3.002 N/A GLN 211.A N ASP 208.A O no hydrogen 2.745 N/A GLN 211.A NE2 ASN 207.A O no hydrogen 3.515 N/A THR 212.A N ASP 208.A O no hydrogen 3.141 N/A THR 212.A N LEU 209.A O no hydrogen 3.203 N/A THR 212.A OG1 LEU 209.A O no hydrogen 2.742 N/A ALA 214.A N THR 212.A OG1 no hydrogen 3.378 N/A ASP 215.A N ARG 29.A O no hydrogen 2.703 N/A LEU 216.A N ARG 29.A O no hydrogen 3.192 N/A VAL 217.A N GLY 255.A O no hydrogen 2.845 N/A ILE 218.A N LEU 31.A O no hydrogen 2.904 N/A LEU 219.A N LEU 257.A O no hydrogen 2.848 N/A SER 220.A N ILE 33.A O no hydrogen 3.008 N/A GLY 222.A N GLU 225.A OE1 no hydrogen 2.942 N/A THR 223.A OG1 HIS 37.A NE2 no hydrogen 3.121 N/A ASN 224.A ND2 ALA 193.A O no hydrogen 3.328 N/A GLU 225.A N GLU 225.A OE1 no hydrogen 2.909 N/A ALA 226.A N GLY 222.A O no hydrogen 3.048 N/A PHE 227.A N ASN 224.A O no hydrogen 3.186 N/A ASN 228.A N GLU 225.A O no hydrogen 3.091 N/A ASN 230.A N ASN 228.A OD1 no hydrogen 2.939 N/A ILE 231.A N ASN 228.A O no hydrogen 2.975 N/A THR 236.A N ASP 232.A O no hydrogen 2.916 N/A THR 236.A OG1 ASP 232.A O no hydrogen 2.961 N/A GLU 237.A N ILE 233.A O no hydrogen 2.753 N/A GLN 238.A N ALA 234.A O no hydrogen 3.092 N/A LYS 239.A N ASP 235.A O no hydrogen 3.043 N/A TRP 240.A N THR 236.A O no hydrogen 2.828 N/A LEU 241.A N GLU 237.A O no hydrogen 2.927 N/A ASP 242.A N GLN 238.A O no hydrogen 2.834 N/A THR 243.A N LYS 239.A O no hydrogen 2.972 N/A THR 243.A OG1 LYS 239.A O no hydrogen 2.858 N/A VAL 244.A N TRP 240.A O no hydrogen 3.044 N/A ARG 245.A N LEU 241.A O no hydrogen 2.889 N/A ARG 245.A NH2 ASP 242.A OD2 no hydrogen 2.420 N/A GLN 246.A N ASP 242.A O no hydrogen 2.941 N/A ILE 247.A N THR 243.A O no hydrogen 2.836 N/A ARG 248.A N VAL 244.A O no hydrogen 2.992 N/A ARG 248.A NE GLY 293.A O no hydrogen 3.262 N/A ARG 248.A NH2 GLY 293.A O no hydrogen 3.026 N/A ASP 249.A N ARG 245.A O no hydrogen 3.108 N/A ASP 249.A N GLN 246.A O no hydrogen 3.048 N/A SER 250.A N GLN 246.A O no hydrogen 3.082 N/A SER 250.A OG MET 206.A O no hydrogen 3.484 N/A SER 250.A OG GLN 246.A O no hydrogen 3.193 N/A LEU 251.A N ILE 247.A O no hydrogen 2.751 N/A ALA 254.A N LEU 251.A O no hydrogen 2.982 N/A GLY 255.A N ASP 215.A O no hydrogen 2.786 N/A LEU 257.A N VAL 217.A O no hydrogen 2.765 N/A ILE 258.A N MET 296.A O no hydrogen 2.724 N/A ILE 259.A N LEU 219.A O no hydrogen 2.968 N/A GLY 260.A N TRP 298.A O no hydrogen 3.071 N/A ALA 261.A N GLN 286.A OE1 no hydrogen 2.915 N/A LEU 265.A N GLY 323.A O no hydrogen 2.842 N/A LYS 266.A N THR 274.A O no hydrogen 2.599 N/A ASN 267.A N THR 274.A O no hydrogen 3.354 N/A THR 274.A N ASN 267.A O no hydrogen 2.848 N/A ARG 275.A NH1 GLU 263.A OE1 no hydrogen 3.075 N/A ARG 275.A NH1 GLN 301.A OE1 no hydrogen 2.842 N/A ARG 275.A NH2 THR 280.A OG1 no hydrogen 2.758 N/A ARG 275.A NH2 GLN 283.A OE1 no hydrogen 2.899 N/A ARG 278.A NE GLU 281.A OE2 no hydrogen 2.307 N/A ARG 278.A NH1 ASN 229.A O no hydrogen 2.987 N/A ARG 278.A NH1 ILE 231.A O no hydrogen 2.755 N/A ARG 278.A NH2 ILE 231.A O no hydrogen 2.890 N/A LEU 279.A N PRO 276.A O no hydrogen 3.253 N/A VAL 282.A N ARG 278.A O no hydrogen 3.183 N/A GLN 283.A N LEU 279.A O no hydrogen 2.895 N/A GLN 283.A NE2 ALA 261.A O no hydrogen 3.116 N/A GLN 283.A NE2 GLN 301.A OE1 no hydrogen 2.972 N/A GLN 284.A N THR 280.A O no hydrogen 2.897 N/A MET 285.A N GLU 281.A O no hydrogen 2.867 N/A GLN 286.A N VAL 282.A O no hydrogen 2.976 N/A GLN 286.A NE2 TYR 221.A O no hydrogen 3.072 N/A GLN 286.A NE2 ILE 259.A O no hydrogen 3.512 N/A ARG 287.A N GLN 283.A O no hydrogen 3.345 N/A ARG 287.A NH1 TYR 5.A OH no hydrogen 2.880 N/A ARG 288.A N GLN 284.A O no hydrogen 3.067 N/A ARG 288.A NE GLU 237.A OE1 no hydrogen 3.073 N/A ARG 288.A NE GLU 237.A OE2 no hydrogen 3.324 N/A ARG 288.A NH2 GLU 237.A OE1 no hydrogen 3.059 N/A VAL 289.A N MET 285.A O no hydrogen 2.897 N/A ALA 290.A N GLN 286.A O no hydrogen 3.025 N/A ARG 291.A N ARG 287.A O no hydrogen 2.964 N/A GLN 292.A N ARG 288.A O no hydrogen 2.905 N/A GLY 293.A N VAL 289.A O no hydrogen 2.806 N/A GLN 294.A N ARG 291.A O no hydrogen 3.221 N/A THR 295.A N ALA 290.A O no hydrogen 2.670 N/A THR 295.A OG1 ALA 290.A O no hydrogen 3.525 N/A THR 295.A OG1 MET 296.A O no hydrogen 3.139 N/A MET 296.A N ILE 256.A O no hydrogen 2.856 N/A PHE 297.A N THR 3.A O no hydrogen 2.765 N/A TRP 298.A N ILE 258.A O no hydrogen 3.076 N/A TRP 298.A NE1 SER 341.A OG no hydrogen 3.218 N/A SER 299.A N LEU 1.A O no hydrogen 3.039 N/A ASN 302.A N SER 299.A OG no hydrogen 2.883 N/A ALA 303.A N SER 299.A O no hydrogen 3.126 N/A MET 304.A N GLN 301.A O no hydrogen 2.887 N/A GLY 305.A N ASN 302.A O no hydrogen 3.343 N/A GLY 306.A N GLN 301.A O no hydrogen 2.930 N/A CYS 308.A N GLU 263.A OE1 no hydrogen 2.777 N/A SER 309.A N GLU 263.A OE2 no hydrogen 2.624 N/A SER 309.A OG GLY 306.A O no hydrogen 2.848 N/A MET 310.A N GLU 263.A OE2 no hydrogen 2.700 N/A TRP 313.A N SER 309.A O no hydrogen 2.986 N/A LEU 314.A N MET 310.A O no hydrogen 2.773 N/A ASN 315.A N LYS 311.A O no hydrogen 2.933 N/A GLN 316.A N ASN 312.A O no hydrogen 2.862 N/A GLY 317.A N LEU 314.A O no hydrogen 3.308 N/A TRP 318.A N TRP 313.A O no hydrogen 2.818 N/A ALA 320.A N HIS 325.A O no hydrogen 2.811 N/A GLY 323.A N ALA 320.A O no hydrogen 3.106 N/A VAL 324.A N ASP 322.A OD1 no hydrogen 2.801 N/A HIS 325.A N ASP 322.A OD1 no hydrogen 3.096 N/A HIS 325.A ND1 ASP 322.A OD2 no hydrogen 2.952 N/A PHE 326.A N TYR 331.A OH no hydrogen 3.315 N/A SER 327.A N TRP 318.A O no hydrogen 3.074 N/A SER 327.A OG GLY 317.A O no hydrogen 2.834 N/A GLY 330.A N SER 327.A OG no hydrogen 2.717 N/A TYR 331.A N SER 327.A O no hydrogen 2.837 N/A TYR 331.A OH HIS 37.A ND1 no hydrogen 2.821 N/A ARG 332.A N ALA 328.A O no hydrogen 3.129 N/A ARG 333.A N LYS 329.A O no hydrogen 3.259 N/A ALA 334.A N GLY 330.A O no hydrogen 3.153 N/A ALA 335.A N TYR 331.A O no hydrogen 2.909 N/A GLU 336.A N ARG 332.A O no hydrogen 3.108 N/A MET 337.A N ARG 333.A O no hydrogen 3.318 N/A LEU 338.A N ALA 334.A O no hydrogen 3.158 N/A ALA 339.A N ALA 335.A O no hydrogen 2.812 N/A ASP 340.A N GLU 336.A O no hydrogen 2.919 N/A SER 341.A N MET 337.A O no hydrogen 3.009 N/A SER 341.A OG MET 337.A O no hydrogen 2.727 N/A LEU 342.A N LEU 338.A O no hydrogen 2.943 N/A GLU 343.A N ALA 339.A O no hydrogen 2.934 N/A GLU 344.A N ASP 340.A O no hydrogen 2.876 N/A LEU 345.A N SER 341.A O no hydrogen 2.936 N/A VAL 346.A N LEU 342.A O no hydrogen 2.952 N/A ARG 347.A N GLU 343.A O no hydrogen 2.825 N/A SER 348.A N GLU 344.A O no hydrogen 3.282 N/A SER 348.A OG LEU 345.A O no hydrogen 3.566 N/A SER 348.A OG SER 348.A O no hydrogen 2.222 N/A