Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 4.A NE SER 73.A O no hydrogen 3.068 N/A ARG 4.A NH1 TRP 200.A O no hydrogen 2.904 N/A ARG 4.A NH1 HIS 202.A O no hydrogen 2.745 N/A ARG 4.A NH2 HIS 202.A O no hydrogen 3.426 N/A ARG 11.A NH1 TYR 129.A O no hydrogen 3.117 N/A ARG 11.A NH1 ASN 130.A OD1 no hydrogen 3.037 N/A THR 12.A OG1 LEU 128.A O no hydrogen 2.677 N/A ASP 14.A N LEU 93.A O no hydrogen 2.792 N/A LEU 15.A N LEU 93.A O no hydrogen 3.447 N/A VAL 16.A N PHE 30.A O no hydrogen 2.835 N/A LEU 17.A N CYS 91.A O no hydrogen 2.832 N/A LYS 18.A N TRP 28.A O no hydrogen 2.910 N/A VAL 19.A N CYS 89.A O no hydrogen 2.865 N/A LYS 20.A N VAL 25.A O no hydrogen 2.780 N/A CYS 21.A N THR 87.A O no hydrogen 3.132 N/A VAL 25.A N LYS 20.A O no hydrogen 2.479 N/A LEU 27.A N LYS 18.A O no hydrogen 2.915 N/A LYS 29.A NZ GLU 32.A O no hydrogen 3.009 N/A PHE 30.A N VAL 16.A O no hydrogen 2.846 N/A PHE 34.A N PRO 31.A O no hydrogen 2.976 N/A GLU 38.A N ASP 36.A OD1 no hydrogen 3.039 N/A ILE 39.A N ASP 36.A O no hydrogen 3.198 N/A ILE 39.A N ASP 36.A OD1 no hydrogen 3.306 N/A LEU 40.A N ASP 36.A O no hydrogen 3.142 N/A GLN 41.A N GLN 37.A O no hydrogen 2.984 N/A SER 42.A N GLU 38.A O no hydrogen 3.072 N/A SER 42.A OG GLU 38.A O no hydrogen 2.964 N/A SER 42.A OG ILE 39.A O no hydrogen 3.556 N/A VAL 43.A N ILE 39.A O no hydrogen 2.855 N/A LYS 45.A N SER 42.A O no hydrogen 3.129 N/A LYS 45.A NZ ASP 23.A OD2 no hydrogen 3.438 N/A PHE 46.A N SER 42.A O no hydrogen 3.224 N/A CYS 47.A N VAL 43.A O no hydrogen 3.080 N/A CYS 47.A SG VAL 43.A O no hydrogen 3.408 N/A PHE 48.A N LYS 45.A O no hydrogen 3.443 N/A ASP 51.A N SER 229.A OG no hydrogen 3.320 N/A ARG 54.A N ASP 51.A OD1 no hydrogen 3.237 N/A VAL 55.A N ASP 51.A O no hydrogen 3.037 N/A SER 56.A N VAL 52.A O no hydrogen 3.256 N/A SER 56.A OG VAL 52.A O no hydrogen 3.250 N/A SER 56.A OG GLN 57.A OE1 no hydrogen 2.817 N/A GLN 57.A NE2 ARG 54.A O no hydrogen 2.355 N/A ASN 58.A N VAL 55.A O no hydrogen 3.179 N/A GLN 59.A N SER 56.A O no hydrogen 2.977 N/A GLN 59.A NE2 VAL 55.A O no hydrogen 2.891 N/A GLN 62.A N LEU 82.A O no hydrogen 2.953 N/A GLN 62.A NE2 GLN 59.A OE1 no hydrogen 3.626 N/A GLN 62.A NE2 VAL 60.A O no hydrogen 2.950 N/A HIS 63.A NE2 ASN 107.A OD1 no hydrogen 2.735 N/A PHE 64.A N CYS 80.A O no hydrogen 3.100 N/A THR 65.A N THR 185.A OG1 no hydrogen 3.064 N/A THR 65.A OG1 TYR 103.A OH no hydrogen 2.641 N/A PHE 66.A N GLY 78.A O no hydrogen 3.125 N/A LEU 68.A N ARG 76.A O no hydrogen 2.987 N/A ASP 70.A N LYS 74.A O no hydrogen 2.954 N/A GLU 72.A N ASP 70.A OD1 no hydrogen 2.788 N/A SER 73.A N ASP 70.A O no hydrogen 2.772 N/A SER 73.A OG GLU 72.A O no hydrogen 2.342 N/A LYS 74.A N ASP 70.A OD1 no hydrogen 2.831 N/A LYS 74.A NZ CYS 3.A O no hydrogen 2.724 N/A GLN 75.A N ARG 4.A O no hydrogen 2.936 N/A ARG 76.A N LEU 68.A O no hydrogen 2.757 N/A PHE 77.A N SER 94.A O no hydrogen 2.697 N/A GLY 78.A N PHE 66.A O no hydrogen 2.681 N/A PHE 79.A N ILE 92.A O no hydrogen 2.880 N/A CYS 80.A N PHE 64.A O no hydrogen 2.930 N/A CYS 80.A SG GLY 78.A O no hydrogen 3.567 N/A ARG 81.A N LEU 90.A O no hydrogen 2.834 N/A ARG 81.A NE ASN 107.A OD1 no hydrogen 3.138 N/A LEU 82.A N GLN 62.A O no hydrogen 2.668 N/A THR 83.A N ILE 88.A O no hydrogen 3.128 N/A THR 83.A OG1 ILE 88.A O no hydrogen 2.910 N/A SER 84.A OG GLN 59.A O no hydrogen 3.456 N/A GLY 85.A N GLN 59.A O no hydrogen 2.903 N/A GLY 86.A N THR 83.A O no hydrogen 2.740 N/A CYS 89.A N VAL 19.A O no hydrogen 2.861 N/A CYS 89.A SG CYS 47.A O no hydrogen 3.578 N/A CYS 89.A SG ARG 81.A O no hydrogen 3.809 N/A CYS 89.A SG LEU 90.A O no hydrogen 4.022 N/A LEU 90.A N ARG 81.A O no hydrogen 3.043 N/A CYS 91.A N LEU 17.A O no hydrogen 2.741 N/A ILE 92.A N PHE 79.A O no hydrogen 2.842 N/A LEU 93.A N LEU 15.A O no hydrogen 2.713 N/A SER 94.A N PHE 77.A O no hydrogen 2.919 N/A SER 94.A OG THR 12.A O no hydrogen 2.513 N/A TYR 95.A OH ASP 70.A OD2 no hydrogen 2.885 N/A LEU 96.A N SER 94.A OG no hydrogen 2.996 N/A TYR 102.A N TRP 98.A O no hydrogen 3.024 N/A TYR 102.A OH THR 12.A O no hydrogen 2.588 N/A TYR 103.A N PHE 99.A O no hydrogen 2.988 N/A TYR 103.A OH THR 65.A OG1 no hydrogen 2.641 N/A LYS 104.A N GLU 100.A O no hydrogen 3.240 N/A LEU 105.A N VAL 101.A O no hydrogen 2.837 N/A LEU 106.A N TYR 102.A O no hydrogen 2.747 N/A ASN 107.A N TYR 103.A O no hydrogen 3.159 N/A THR 108.A N LYS 104.A O no hydrogen 3.045 N/A THR 108.A OG1 LYS 104.A O no hydrogen 3.233 N/A LEU 109.A N LEU 105.A O no hydrogen 2.798 N/A ALA 110.A N LEU 106.A O no hydrogen 2.888 N/A ASP 111.A N ASN 107.A O no hydrogen 2.921 N/A TYR 112.A N THR 108.A O no hydrogen 3.049 N/A LEU 113.A N LEU 109.A O no hydrogen 2.987 N/A ALA 114.A N ALA 110.A O no hydrogen 3.057 N/A LYS 115.A N ASP 111.A O no hydrogen 2.984 N/A GLU 116.A N LEU 113.A O no hydrogen 3.058 N/A LEU 117.A N TYR 112.A O no hydrogen 2.876 N/A LEU 121.A N LEU 117.A O no hydrogen 3.345 N/A ASN 122.A N GLU 118.A O no hydrogen 2.923 N/A GLU 123.A N ASN 119.A O no hydrogen 2.691 N/A THR 124.A N ASP 120.A O no hydrogen 3.018 N/A THR 124.A OG1 ASP 120.A O no hydrogen 2.787 N/A LEU 125.A N LEU 121.A O no hydrogen 2.869 N/A ARG 126.A N ASN 122.A O no hydrogen 2.782 N/A SER 127.A N GLU 123.A O no hydrogen 2.931 N/A LEU 128.A N THR 124.A O no hydrogen 3.074 N/A TYR 129.A N LEU 125.A O no hydrogen 2.766 N/A ASN 130.A N ARG 126.A O no hydrogen 2.873 N/A THR 142.A OG1 GLU 145.A OE1 no hydrogen 2.706 N/A ILE 143.A N GLY 282.A O no hydrogen 2.961 N/A SER 146.A N THR 142.A O no hydrogen 2.896 N/A SER 146.A OG THR 142.A O no hydrogen 2.869 N/A ARG 147.A N GLU 100.A OE2 no hydrogen 2.848 N/A THR 150.A N SER 146.A O no hydrogen 3.117 N/A THR 150.A OG1 SER 146.A O no hydrogen 2.767 N/A GLU 151.A N ARG 147.A O no hydrogen 3.150 N/A TYR 152.A N ASN 148.A O no hydrogen 3.010 N/A PHE 153.A N LEU 149.A O no hydrogen 2.906 N/A VAL 154.A N THR 150.A O no hydrogen 2.993 N/A ALA 155.A N GLU 151.A O no hydrogen 2.974 N/A VAL 156.A N TYR 152.A O no hydrogen 2.969 N/A ASP 157.A N ASN 250.A OD1 no hydrogen 2.901 N/A ASN 160.A ND2 ASN 250.A O no hydrogen 2.855 N/A ASN 160.A ND2 ASN 250.A OD1 no hydrogen 2.984 N/A MET 161.A N ASP 157.A O no hydrogen 2.922 N/A LEU 162.A N VAL 158.A O no hydrogen 3.003 N/A GLN 163.A N ASN 159.A O no hydrogen 3.068 N/A LEU 164.A N ASN 160.A O no hydrogen 2.950 N/A TYR 165.A N MET 161.A O no hydrogen 3.001 N/A TYR 165.A OH GLN 293.A OE1 no hydrogen 2.601 N/A ALA 166.A N LEU 162.A O no hydrogen 3.025 N/A SER 167.A N GLN 163.A O no hydrogen 2.981 N/A SER 167.A OG GLN 163.A O no hydrogen 3.010 N/A MET 168.A N LEU 164.A O no hydrogen 2.916 N/A LEU 169.A N TYR 165.A O no hydrogen 2.969 N/A HIS 170.A N SER 167.A O no hydrogen 3.127 N/A HIS 170.A ND1 ALA 166.A O no hydrogen 2.679 N/A GLU 171.A N MET 168.A O no hydrogen 2.767 N/A ARG 172.A N SER 167.A O no hydrogen 3.172 N/A ARG 172.A NE ASP 258.A OD1 no hydrogen 3.237 N/A ARG 172.A NE ASP 258.A OD2 no hydrogen 2.888 N/A ARG 172.A NH2 ASP 258.A OD1 no hydrogen 2.764 N/A ARG 173.A NE PRO 219.A O no hydrogen 2.765 N/A ARG 173.A NH1 ASP 241.A O no hydrogen 2.945 N/A ARG 173.A NH2 PRO 219.A O no hydrogen 2.984 N/A ILE 174.A N TYR 222.A O no hydrogen 2.875 N/A VAL 175.A N VAL 243.A O no hydrogen 2.760 N/A ILE 176.A N ILE 224.A O no hydrogen 2.931 N/A ILE 177.A N LEU 245.A O no hydrogen 2.839 N/A SER 178.A N ILE 226.A O no hydrogen 3.379 N/A SER 178.A OG LYS 180.A O no hydrogen 3.180 N/A SER 179.A N ASP 248.A OD1 no hydrogen 2.857 N/A SER 179.A OG SER 228.A OG no hydrogen 2.735 N/A SER 179.A OG ASP 248.A OD1 no hydrogen 3.400 N/A SER 179.A OG ASP 248.A OD2 no hydrogen 2.382 N/A LYS 180.A N SER 178.A OG no hydrogen 3.099 N/A SER 182.A N GLN 62.A OE1 no hydrogen 2.924 N/A THR 183.A OG1 GLU 151.A OE1 no hydrogen 2.536 N/A LEU 184.A N LYS 180.A O no hydrogen 2.922 N/A THR 185.A N LEU 181.A O no hydrogen 2.879 N/A THR 185.A OG1 LEU 181.A O no hydrogen 3.216 N/A ALA 186.A N SER 182.A O no hydrogen 3.042 N/A CYS 187.A N THR 183.A O no hydrogen 2.786 N/A CYS 187.A SG THR 183.A O no hydrogen 3.264 N/A ILE 188.A N LEU 184.A O no hydrogen 3.208 N/A HIS 189.A N THR 185.A O no hydrogen 2.906 N/A HIS 189.A NE2 THR 65.A O no hydrogen 2.883 N/A GLY 190.A N ALA 186.A O no hydrogen 2.656 N/A SER 191.A N CYS 187.A O no hydrogen 2.904 N/A SER 191.A OG CYS 187.A O no hydrogen 2.489 N/A SER 191.A OG ILE 188.A O no hydrogen 3.249 N/A ALA 192.A N ILE 188.A O no hydrogen 3.104 N/A ALA 193.A N HIS 189.A O no hydrogen 3.092 N/A LEU 194.A N SER 191.A O no hydrogen 3.175 N/A LEU 195.A N ALA 192.A O no hydrogen 3.125 N/A TYR 196.A N ALA 193.A O no hydrogen 3.272 N/A MET 198.A N LEU 195.A O no hydrogen 2.947 N/A TRP 200.A NE1 ILE 203.A O no hydrogen 2.878 N/A GLN 201.A NE2 ASP 2.A O no hydrogen 2.742 N/A GLN 201.A NE2 TYR 199.A O no hydrogen 3.180 N/A TYR 204.A OH HIS 189.A ND1 no hydrogen 3.204 N/A ILE 205.A N LEU 223.A O no hydrogen 2.889 N/A LEU 208.A N GLY 225.A O no hydrogen 2.851 N/A LEU 212.A N PRO 209.A O no hydrogen 2.923 N/A LEU 213.A N PRO 210.A O no hydrogen 3.320 N/A TYR 215.A N LEU 212.A O no hydrogen 3.150 N/A CYS 216.A N LEU 213.A O no hydrogen 2.961 N/A CYS 216.A SG LEU 213.A O no hydrogen 3.573 N/A CYS 217.A N ASP 214.A O no hydrogen 3.040 N/A CYS 217.A SG SER 238.A O no hydrogen 3.743 N/A ALA 218.A N TYR 215.A O no hydrogen 3.106 N/A TYR 222.A N ARG 172.A O no hydrogen 3.490 N/A TYR 222.A OH CYS 216.A O no hydrogen 2.756 N/A LEU 223.A N ILE 203.A O no hydrogen 2.809 N/A ILE 224.A N ILE 174.A O no hydrogen 2.982 N/A GLY 225.A N ILE 205.A O no hydrogen 2.797 N/A ILE 226.A N ILE 176.A O no hydrogen 2.993 N/A HIS 227.A ND1 SER 229.A OG no hydrogen 2.642 N/A HIS 227.A NE2 SER 179.A O no hydrogen 2.860 N/A SER 228.A N SER 178.A O no hydrogen 2.927 N/A SER 228.A OG SER 179.A OG no hydrogen 2.735 N/A SER 229.A N HIS 227.A ND1 no hydrogen 3.079 N/A SER 229.A OG HIS 227.A ND1 no hydrogen 2.642 N/A LEU 230.A N HIS 227.A O no hydrogen 2.872 N/A ARG 233.A NH2 ASP 51.A OD2 no hydrogen 2.990 N/A VAL 234.A N LEU 230.A O no hydrogen 3.093 N/A LYS 235.A N ILE 231.A O no hydrogen 2.928 N/A ASN 236.A N GLU 232.A O no hydrogen 3.087 N/A LYS 237.A N VAL 234.A O no hydrogen 2.796 N/A VAL 243.A N ARG 173.A O no hydrogen 2.757 N/A MET 244.A N GLU 253.A O no hydrogen 2.820 N/A LEU 245.A N VAL 175.A O no hydrogen 2.930 N/A ASN 246.A N THR 251.A O no hydrogen 2.851 N/A VAL 247.A N ILE 177.A O no hydrogen 2.831 N/A ASP 248.A N ASN 246.A OD1 no hydrogen 2.929 N/A THR 249.A N ASN 246.A O no hydrogen 3.204 N/A THR 249.A OG1 THR 251.A OG1 no hydrogen 2.647 N/A ASN 250.A N VAL 247.A O no hydrogen 3.379 N/A ASN 250.A ND2 ALA 155.A O no hydrogen 2.979 N/A THR 251.A N ASN 246.A O no hydrogen 3.266 N/A THR 251.A OG1 THR 249.A OG1 no hydrogen 2.647 N/A GLU 253.A N MET 244.A O no hydrogen 2.685 N/A SER 254.A OG PHE 256.A O no hydrogen 3.478 N/A PHE 256.A N SER 254.A OG no hydrogen 3.027 N/A ASN 261.A N ASP 258.A O no hydrogen 2.864 N/A ASN 261.A ND2 HIS 170.A NE2 no hydrogen 3.194 N/A LEU 262.A N LEU 259.A O no hydrogen 3.212 N/A VAL 266.A N ASP 265.A OD1 no hydrogen 2.759 N/A VAL 267.A N PRO 263.A O no hydrogen 3.236 N/A SER 268.A N SER 264.A O no hydrogen 2.839 N/A SER 268.A OG SER 264.A O no hydrogen 2.965 N/A SER 268.A OG ASP 265.A O no hydrogen 3.217 N/A ALA 269.A N ASP 265.A O no hydrogen 3.009 N/A LEU 270.A N VAL 266.A O no hydrogen 2.885 N/A LYS 271.A N VAL 267.A O no hydrogen 2.707 N/A LYS 271.A NZ ASN 159.A OD1 no hydrogen 2.441 N/A ASN 272.A N SER 268.A O no hydrogen 2.772 N/A LYS 273.A N ALA 269.A O no hydrogen 3.158 N/A LEU 274.A N LEU 270.A O no hydrogen 3.016 N/A LYS 275.A N LYS 271.A O no hydrogen 3.201 N/A LYS 276.A N LYS 273.A O no hydrogen 3.020 N/A LYS 276.A NZ GLN 277.A OE1 no hydrogen 3.421 N/A LYS 276.A NZ SER 278.A OG no hydrogen 3.208 N/A GLN 277.A N GLN 277.A OE1 no hydrogen 2.779 N/A THR 279.A OG1 LYS 273.A O no hydrogen 2.592 N/A ALA 280.A N GLN 277.A O no hydrogen 2.970 N/A THR 281.A N SER 278.A O no hydrogen 3.214 N/A THR 281.A OG1 SER 278.A O no hydrogen 3.054 N/A GLY 282.A N ILE 143.A O no hydrogen 2.848 N/A ARG 287.A N ASP 283.A O no hydrogen 2.855 N/A ARG 287.A NE ASP 283.A OD1 no hydrogen 3.508 N/A ARG 287.A NH2 ASP 283.A OD2 no hydrogen 2.693 N/A ALA 288.A N GLY 284.A O no hydrogen 2.799 N/A PHE 289.A N VAL 285.A O no hydrogen 3.056 N/A LEU 290.A N ALA 286.A O no hydrogen 2.825 N/A ARG 291.A N ARG 287.A O no hydrogen 2.786 N/A ALA 292.A N ALA 288.A O no hydrogen 3.106 N/A GLN 293.A N PHE 289.A O no hydrogen 2.933 N/A GLN 293.A NE2 LEU 195.A O no hydrogen 2.818 N/A ALA 294.A N LEU 290.A O no hydrogen 3.074 N/A ALA 295.A N ARG 291.A O no hydrogen 2.992 N/A LEU 296.A N ALA 292.A O no hydrogen 2.941 N/A PHE 297.A N GLN 293.A O no hydrogen 2.919 N/A GLY 298.A N ALA 294.A O no hydrogen 2.591 N/A TYR 300.A N PHE 297.A O no hydrogen 2.974 N/A ARG 301.A N GLY 298.A O no hydrogen 3.232 N/A SER 309.A N CYS 306.A O no hydrogen 3.240 N/A PHE 310.A N CYS 306.A O no hydrogen 3.256 N/A VAL 311.A N GLU 307.A O no hydrogen 3.001 N/A HIS 313.A N VAL 311.A O no hydrogen 3.187 N/A SER 315.A N HIS 313.A ND1 no hydrogen 3.081 N/A LYS 319.A N SER 315.A O no hydrogen 2.878 N/A GLN 320.A N SER 316.A O no hydrogen 2.998 N/A PHE 321.A N VAL 317.A O no hydrogen 3.049 N/A LEU 322.A N MET 318.A O no hydrogen 2.741 N/A GLU 323.A N LYS 319.A O no hydrogen 2.972 N/A THR 324.A N GLN 320.A O no hydrogen 3.276 N/A THR 324.A N PHE 321.A O no hydrogen 2.987 N/A THR 324.A OG1 PHE 321.A O no hydrogen 2.836 N/A ALA 325.A N PHE 321.A O no hydrogen 2.766 N/A ILE 326.A N LEU 322.A O no hydrogen 3.234 N/A ASN 327.A N THR 324.A O no hydrogen 2.937 N/A LEU 328.A N ALA 325.A O no hydrogen 3.041 N/A GLN 329.A N GLU 171.A OE1 no hydrogen 2.806 N/A GLN 329.A NE2 GLN 333.A OE1 no hydrogen 3.177 N/A LEU 330.A N GLU 171.A OE2 no hydrogen 2.802 N/A LYS 332.A N LEU 328.A O no hydrogen 2.836 N/A GLN 333.A N GLN 329.A O no hydrogen 2.878 N/A GLN 333.A NE2 MET 1.A O no hydrogen 3.310 N/A PHE 334.A N LEU 330.A O no hydrogen 3.410 N/A ILE 335.A N PHE 331.A O no hydrogen 2.966 N/A ASP 336.A N LYS 332.A O no hydrogen 2.916 N/A GLY 337.A N GLN 333.A O no hydrogen 2.805 N/A ARG 338.A N PHE 334.A O no hydrogen 2.944 N/A LEU 339.A N ILE 335.A O no hydrogen 2.815 N/A ALA 340.A N ASP 336.A O no hydrogen 3.072 N/A ALA 340.A N GLY 337.A O no hydrogen 3.155 N/A LYS 341.A N GLY 337.A O no hydrogen 3.163 N/A LEU 342.A N ARG 338.A O no hydrogen 3.118 N/A ASN 343.A N ALA 340.A O no hydrogen 3.398 N/A