Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3it9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 8.A N GLU 243.A OE2 no hydrogen 2.798 N/A ALA 9.A N VAL 7.A O no hydrogen 2.953 N/A ARG 10.A N GLY 233.A O no hydrogen 3.282 N/A ALA 11.A N LEU 232.A O no hydrogen 3.215 N/A TRP 12.A N GLY 26.A O no hydrogen 3.034 N/A ILE 13.A N VAL 230.A O no hydrogen 2.959 N/A LEU 14.A N ALA 24.A O no hydrogen 2.858 N/A MET 15.A N ILE 228.A O no hydrogen 2.792 N/A ASP 16.A N LYS 21.A O no hydrogen 2.807 N/A TYR 17.A N ARG 226.A O no hydrogen 2.975 N/A SER 19.A N ASP 16.A OD1 no hydrogen 2.808 N/A SER 19.A OG ASP 16.A OD1 no hydrogen 3.203 N/A SER 19.A OG THR 291.A OG1 no hydrogen 2.682 N/A LYS 21.A N SER 19.A OG no hydrogen 2.789 N/A LYS 21.A NZ GLU 334.A OE2 no hydrogen 3.216 N/A LEU 23.A N LEU 14.A O no hydrogen 2.764 N/A GLY 26.A N TRP 12.A O no hydrogen 3.080 N/A ASN 27.A ND2 ARG 10.A O no hydrogen 2.873 N/A GLU 30.A N ASN 27.A O no hydrogen 3.031 N/A LEU 32.A N SER 152.A O no hydrogen 2.921 N/A ALA 35.A N ASP 33.A OD2 no hydrogen 3.310 N/A LEU 37.A N PRO 34.A O no hydrogen 3.115 N/A THR 38.A N ALA 35.A O no hydrogen 3.069 N/A THR 38.A OG1 ALA 35.A O no hydrogen 2.786 N/A LYS 39.A N SER 36.A O no hydrogen 2.807 N/A LYS 39.A NZ SER 36.A OG no hydrogen 2.900 N/A LYS 39.A NZ ASN 104.A OD1 no hydrogen 2.503 N/A LYS 39.A NZ HIS 143.A O no hydrogen 2.947 N/A ILE 40.A N LEU 37.A O no hydrogen 3.014 N/A MET 41.A N THR 38.A O no hydrogen 2.887 N/A THR 42.A N THR 38.A O no hydrogen 3.121 N/A THR 42.A OG1 THR 38.A O no hydrogen 3.415 N/A THR 42.A OG1 VAL 142.A O no hydrogen 2.692 N/A SER 43.A N LYS 39.A O no hydrogen 2.885 N/A SER 43.A OG GLU 171.A OE2 no hydrogen 2.684 N/A TYR 44.A N ILE 40.A O no hydrogen 2.876 N/A TYR 44.A OH ASP 167.A OD2 no hydrogen 2.592 N/A VAL 45.A N MET 41.A O no hydrogen 2.985 N/A VAL 46.A N THR 42.A O no hydrogen 3.041 N/A GLY 47.A N SER 43.A O no hydrogen 2.767 N/A GLN 48.A N TYR 44.A O no hydrogen 2.917 N/A GLN 48.A NE2 TYR 44.A OH no hydrogen 3.160 N/A ALA 49.A N VAL 45.A O no hydrogen 2.899 N/A LEU 50.A N VAL 46.A O no hydrogen 2.985 N/A LYS 51.A N GLY 47.A O no hydrogen 2.976 N/A LYS 51.A NZ ASP 167.A O no hydrogen 2.951 N/A ALA 52.A N GLN 48.A O no hydrogen 2.864 N/A ASP 53.A N LEU 50.A O no hydrogen 2.903 N/A LYS 54.A N ALA 49.A O no hydrogen 2.861 N/A ILE 55.A N ALA 49.A O no hydrogen 3.423 N/A LYS 56.A N ASP 59.A OD2 no hydrogen 3.191 N/A LYS 56.A NZ ASP 53.A OD1 no hydrogen 3.263 N/A ASP 59.A N LYS 56.A O no hydrogen 3.087 N/A VAL 61.A N VAL 89.A O no hydrogen 2.734 N/A THR 62.A OG1 GLN 88.A OE1 no hydrogen 2.621 N/A VAL 63.A N ASP 87.A O no hydrogen 3.140 N/A ALA 67.A N GLY 64.A O no hydrogen 2.639 N/A ASN 72.A N TRP 68.A O no hydrogen 3.001 N/A ASN 72.A ND2 ASP 66.A O no hydrogen 3.057 N/A LEU 75.A N ASN 72.A O no hydrogen 3.019 N/A ARG 76.A N PRO 73.A O no hydrogen 2.875 N/A SER 78.A N LEU 75.A O no hydrogen 3.158 N/A SER 78.A OG LEU 75.A O no hydrogen 2.974 N/A SER 78.A OG SER 79.A O no hydrogen 3.416 N/A SER 79.A OG GLN 101.A O no hydrogen 3.195 N/A SER 79.A OG SER 102.A O no hydrogen 3.142 N/A MET 81.A N ASP 105.A OD1 no hydrogen 2.804 N/A LEU 83.A N ASP 105.A OD2 no hydrogen 3.212 N/A LYS 84.A N ASP 87.A OD2 no hydrogen 2.885 N/A LYS 84.A NZ ASP 87.A OD1 no hydrogen 3.289 N/A GLY 86.A N VAL 63.A O no hydrogen 3.028 N/A ASP 87.A N LYS 84.A O no hydrogen 2.881 N/A VAL 89.A N VAL 61.A O no hydrogen 2.985 N/A SER 90.A OG LEU 57.A O no hydrogen 3.367 N/A VAL 91.A N ASP 59.A O no hydrogen 2.969 N/A ALA 92.A N LEU 57.A O no hydrogen 3.116 N/A LEU 94.A N SER 90.A O no hydrogen 3.018 N/A ASN 95.A N VAL 91.A O no hydrogen 2.684 N/A ASN 95.A ND2 GLU 171.A OE1 no hydrogen 2.874 N/A LYS 96.A N ALA 92.A O no hydrogen 2.944 N/A GLY 97.A N ASP 93.A O no hydrogen 2.803 N/A VAL 98.A N LEU 94.A O no hydrogen 2.797 N/A ILE 99.A N ASN 95.A O no hydrogen 2.980 N/A ILE 100.A N LYS 96.A O no hydrogen 2.696 N/A GLY 103.A N GLY 97.A O no hydrogen 2.701 N/A ASN 104.A N SER 79.A O no hydrogen 2.978 N/A ASN 104.A ND2 SER 78.A OG no hydrogen 2.800 N/A ASN 104.A ND2 SER 79.A O no hydrogen 3.002 N/A ALA 106.A N ASP 105.A OD1 no hydrogen 2.894 N/A CYS 107.A N GLY 103.A O no hydrogen 3.178 N/A CYS 107.A SG GLY 103.A O no hydrogen 3.427 N/A CYS 107.A SG VAL 142.A O no hydrogen 3.677 N/A ILE 108.A N ASN 104.A O no hydrogen 3.324 N/A ALA 109.A N ASP 105.A O no hydrogen 2.959 N/A LEU 110.A N ALA 106.A O no hydrogen 3.027 N/A ALA 111.A N CYS 107.A O no hydrogen 3.050 N/A ASP 112.A N ILE 108.A O no hydrogen 2.978 N/A TYR 113.A N ALA 109.A O no hydrogen 3.121 N/A TYR 113.A OH ASP 59.A OD2 no hydrogen 2.757 N/A VAL 114.A N LEU 110.A O no hydrogen 2.699 N/A ALA 115.A N ALA 111.A O no hydrogen 2.839 N/A GLY 116.A N ASP 112.A O no hydrogen 2.896 N/A SER 117.A OG SER 120.A OG no hydrogen 3.009 N/A GLN 118.A NE2 ASP 66.A OD2 no hydrogen 3.331 N/A GLU 119.A N GLU 119.A OE1 no hydrogen 3.089 N/A SER 120.A N SER 117.A OG no hydrogen 3.100 N/A SER 120.A OG SER 117.A OG no hydrogen 3.009 N/A PHE 121.A N SER 117.A O no hydrogen 3.088 N/A ILE 122.A N GLN 118.A O no hydrogen 2.826 N/A GLY 123.A N GLU 119.A O no hydrogen 2.996 N/A LEU 124.A N SER 120.A O no hydrogen 2.978 N/A MET 125.A N PHE 121.A O no hydrogen 2.898 N/A ASN 126.A N ILE 122.A O no hydrogen 3.037 N/A ASN 126.A ND2 ILE 122.A O no hydrogen 3.321 N/A ASN 126.A ND2 PHE 139.A O no hydrogen 2.711 N/A GLY 127.A N GLY 123.A O no hydrogen 2.947 N/A TYR 128.A N LEU 124.A O no hydrogen 3.009 N/A ALA 129.A N MET 125.A O no hydrogen 3.035 N/A LYS 130.A N ASN 126.A O no hydrogen 3.005 N/A LYS 131.A N GLY 127.A O no hydrogen 3.007 N/A LEU 132.A N TYR 128.A O no hydrogen 2.779 N/A GLY 133.A N LYS 130.A O no hydrogen 3.105 N/A LEU 134.A N ALA 129.A O no hydrogen 2.800 N/A THR 135.A N GLY 133.A O no hydrogen 2.890 N/A ASN 136.A N ASP 156.A OD1 no hydrogen 2.828 N/A THR 137.A N LEU 134.A O no hydrogen 3.081 N/A THR 137.A OG1 SER 152.A OG no hydrogen 2.752 N/A THR 137.A OG1 ASP 156.A OD1 no hydrogen 2.743 N/A THR 138.A N PHE 151.A O no hydrogen 3.212 N/A PHE 139.A N ASN 126.A OD1 no hydrogen 2.738 N/A GLN 140.A NE2 GLY 149.A O no hydrogen 2.860 N/A GLY 144.A N THR 141.A OG1 no hydrogen 2.806 N/A LEU 145.A N HIS 143.A ND1 no hydrogen 3.167 N/A GLN 150.A NE2 THR 141.A OG1 no hydrogen 2.725 N/A PHE 151.A N THR 138.A O no hydrogen 3.325 N/A SER 152.A N LEU 32.A O no hydrogen 2.985 N/A SER 152.A OG THR 137.A OG1 no hydrogen 2.752 N/A ARG 155.A N ALA 28.A O no hydrogen 2.980 N/A ARG 155.A NE ASP 29.A OD1 no hydrogen 2.983 N/A ARG 155.A NE ASP 29.A OD2 no hydrogen 3.321 N/A ARG 155.A NH2 ASP 29.A OD2 no hydrogen 3.299 N/A ASP 156.A N THR 153.A OG1 no hydrogen 2.975 N/A MET 157.A N THR 153.A O no hydrogen 2.920 N/A ALA 158.A N ALA 154.A O no hydrogen 3.147 N/A LEU 159.A N ARG 155.A O no hydrogen 3.117 N/A LEU 160.A N ASP 156.A O no hydrogen 2.831 N/A GLY 161.A N MET 157.A O no hydrogen 2.722 N/A LYS 162.A N ALA 158.A O no hydrogen 2.858 N/A LYS 162.A NZ TYR 17.A O no hydrogen 3.032 N/A ALA 163.A N LEU 159.A O no hydrogen 3.006 N/A LEU 164.A N LEU 160.A O no hydrogen 2.975 N/A ILE 165.A N GLY 161.A O no hydrogen 3.089 N/A HIS 166.A N LYS 162.A O no hydrogen 2.924 N/A ASP 167.A N ALA 163.A O no hydrogen 2.481 N/A VAL 168.A N LEU 164.A O no hydrogen 3.087 N/A GLU 171.A N VAL 168.A O no hydrogen 2.893 N/A TYR 172.A N VAL 168.A O no hydrogen 2.973 N/A TYR 172.A OH ASP 202.A OD2 no hydrogen 2.355 N/A ALA 173.A N PRO 169.A O no hydrogen 2.909 N/A ILE 174.A N GLU 171.A O no hydrogen 3.350 N/A HIS 175.A N TYR 172.A O no hydrogen 2.863 N/A HIS 175.A ND1 GLU 171.A O no hydrogen 2.996 N/A GLU 177.A N ILE 174.A O no hydrogen 2.994 N/A PHE 180.A N GLN 187.A O no hydrogen 2.905 N/A PHE 182.A N ILE 185.A O no hydrogen 2.966 N/A ILE 185.A N PHE 182.A O no hydrogen 3.014 N/A ARG 186.A NH2 GLU 179.A OE2 no hydrogen 2.436 N/A GLN 187.A N PHE 180.A O no hydrogen 2.677 N/A ASN 189.A N LYS 178.A O no hydrogen 2.758 N/A ASN 189.A ND2 HIS 175.A O no hydrogen 3.229 N/A ASN 189.A ND2 GLU 177.A O no hydrogen 2.955 N/A ARG 190.A NH1.B GLN 101.A O no hydrogen 2.845 N/A ARG 190.A NH2.B GLN 101.A O no hydrogen 2.875 N/A ASN 191.A N ASN 189.A OD1 no hydrogen 3.003 N/A LEU 193.A N ASN 191.A OD1 no hydrogen 3.204 N/A LEU 194.A N ASN 191.A O no hydrogen 3.051 N/A TRP 195.A N ARG 192.A O no hydrogen 2.985 N/A SER 196.A N LEU 193.A O no hydrogen 3.035 N/A SER 196.A OG LEU 193.A O no hydrogen 3.010 N/A ASN 200.A ND2 THR 221.A O no hydrogen 3.132 N/A ASP 202.A N SER 219.A O no hydrogen 2.988 N/A MET 204.A N VAL 217.A O no hydrogen 2.846 N/A LYS 205.A N VAL 217.A O no hydrogen 2.997 N/A LYS 205.A NZ ILE 99.A O no hydrogen 2.833 N/A LYS 205.A NZ SER 102.A OG no hydrogen 3.165 N/A GLY 207.A N ASN 215.A O no hydrogen 3.160 N/A THR 209.A N GLY 213.A O no hydrogen 3.048 N/A THR 209.A OG1 GLY 213.A O no hydrogen 3.141 N/A TYR 214.A N ALA 234.A O no hydrogen 2.582 N/A ASN 215.A N GLY 207.A O no hydrogen 2.774 N/A ASN 215.A ND2 ASP 33.A O no hydrogen 3.288 N/A LEU 216.A N VAL 231.A O no hydrogen 2.895 N/A VAL 217.A N LYS 205.A O no hydrogen 2.909 N/A ALA 218.A N SER 229.A O no hydrogen 2.925 N/A SER 219.A N GLY 203.A O no hydrogen 3.148 N/A SER 219.A OG LEU 227.A O no hydrogen 2.850 N/A ALA 220.A N LEU 227.A O no hydrogen 3.055 N/A THR 221.A N ASN 200.A O no hydrogen 3.044 N/A GLN 222.A N MET 225.A O no hydrogen 2.936 N/A MET 225.A N GLN 222.A O no hydrogen 3.025 N/A ARG 226.A NH1 ASP 202.A OD1 no hydrogen 3.348 N/A ARG 226.A NH1 ASP 202.A OD2 no hydrogen 3.000 N/A ARG 226.A NH1 SER 219.A OG no hydrogen 2.981 N/A ARG 226.A NH2 ASP 202.A OD1 no hydrogen 2.885 N/A LEU 227.A N ALA 220.A O no hydrogen 2.967 N/A ILE 228.A N MET 15.A O no hydrogen 2.803 N/A SER 229.A N ALA 218.A O no hydrogen 2.817 N/A VAL 230.A N ILE 13.A O no hydrogen 2.951 N/A VAL 231.A N LEU 216.A O no hydrogen 2.932 N/A LEU 232.A N ALA 11.A O no hydrogen 2.914 N/A GLY 233.A N ASN 215.A OD1 no hydrogen 2.803 N/A ALA 234.A N TYR 214.A O no hydrogen 2.919 N/A ILE 239.A N THR 236.A OG1 no hydrogen 3.044 N/A ARG 240.A N THR 236.A O no hydrogen 2.869 N/A ARG 240.A NH1 ASN 215.A O no hydrogen 2.829 N/A ARG 240.A NH2 ASP 237.A OD1 no hydrogen 2.419 N/A PHE 241.A N ASP 237.A O no hydrogen 3.226 N/A ASN 242.A N ARG 238.A O no hydrogen 3.059 N/A ASN 242.A ND2 GLU 243.A OE1 no hydrogen 3.194 N/A GLU 243.A N ILE 239.A O no hydrogen 3.044 N/A SER 244.A OG ARG 240.A O no hydrogen 2.858 N/A GLU 245.A N PHE 241.A O no hydrogen 2.841 N/A LYS 246.A N ASN 242.A O no hydrogen 2.801 N/A LYS 246.A NZ SER 6.A O no hydrogen 3.112 N/A LEU 247.A N GLU 243.A O no hydrogen 2.972 N/A LEU 248.A N SER 244.A O no hydrogen 3.094 N/A THR 249.A N GLU 245.A O no hydrogen 3.002 N/A THR 249.A OG1 GLU 245.A O no hydrogen 3.258 N/A TRP 250.A N LYS 246.A O no hydrogen 2.922 N/A GLY 251.A N LEU 247.A O no hydrogen 2.979 N/A PHE 252.A N LEU 248.A O no hydrogen 3.127 N/A ARG 253.A N THR 249.A O no hydrogen 3.031 N/A PHE 254.A N TRP 250.A O no hydrogen 3.225 N/A PHE 255.A N GLY 251.A O no hydrogen 3.126 N/A GLU 256.A N ILE 292.A O no hydrogen 2.915 N/A THR 257.A OG1 ASP 16.A OD2 no hydrogen 2.562 N/A THR 257.A OG1 THR 291.A OG1 no hydrogen 3.181 N/A VAL 258.A N VAL 290.A O no hydrogen 2.910 N/A THR 259.A OG1 SER 289.A OG no hydrogen 2.578 N/A ILE 261.A N GLY 288.A O no hydrogen 3.491 N/A ALA 265.A N LYS 262.A O no hydrogen 2.997 N/A PHE 267.A N LEU 282.A O no hydrogen 2.710 N/A VAL 268.A N LEU 282.A O no hydrogen 3.247 N/A THR 269.A OG1 ASN 281.A OD1 no hydrogen 3.074 N/A GLN 270.A N VAL 280.A O no hydrogen 2.948 N/A VAL 272.A N SER 278.A O no hydrogen 2.792 N/A TRP 273.A N LEU 311.A O no hydrogen 2.748 N/A ASP 276.A N GLU 345.A O no hydrogen 2.992 N/A LYS 277.A NZ GLU 342.A OE2 no hydrogen 2.600 N/A SER 278.A OG GLU 279.A OE1 no hydrogen 2.631 N/A VAL 280.A N GLN 270.A O no hydrogen 2.816 N/A ASN 281.A N GLU 342.A OE1 no hydrogen 2.980 N/A LEU 282.A N VAL 268.A O no hydrogen 2.779 N/A GLY 283.A N ILE 339.A O no hydrogen 2.817 N/A ALA 287.A N ALA 284.A O no hydrogen 3.134 N/A SER 289.A OG THR 259.A OG1 no hydrogen 2.578 N/A VAL 290.A N VAL 258.A O no hydrogen 2.818 N/A THR 291.A OG1 SER 19.A OG no hydrogen 2.682 N/A THR 291.A OG1 THR 257.A OG1 no hydrogen 3.181 N/A ILE 292.A N GLU 256.A O no hydrogen 2.912 N/A ARG 294.A N.A PHE 254.A O no hydrogen 2.910 N/A ARG 294.A N.B PHE 254.A O no hydrogen 2.923 N/A ARG 294.A NE.A PHE 255.A O no hydrogen 2.731 N/A ARG 294.A NH1.A PHE 252.A O no hydrogen 3.489 N/A GLY 295.A N GLU 256.A OE2 no hydrogen 2.871 N/A ASN 299.A N GLN 296.A O no hydrogen 2.908 N/A LEU 300.A N LEU 297.A O no hydrogen 2.719 N/A LYS 301.A N GLN 327.A O no hydrogen 2.920 N/A SER 303.A N ASP 325.A O no hydrogen 2.492 N/A THR 305.A N THR 323.A O no hydrogen 2.776 N/A THR 307.A N VAL 321.A O no hydrogen 3.126 N/A THR 307.A OG1 GLU 308.A OE2 no hydrogen 2.737 N/A ALA 313.A N TRP 273.A O no hydrogen 2.937 N/A LEU 315.A N VAL 344.A O no hydrogen 2.718 N/A LYS 316.A N GLN 319.A OE1 no hydrogen 3.247 N/A GLY 318.A N VAL 340.A O no hydrogen 2.794 N/A GLN 319.A N LYS 316.A O no hydrogen 3.175 N/A VAL 321.A N LEU 338.A O no hydrogen 3.079 N/A ILE 324.A N ARG 336.A O no hydrogen 2.633 N/A ASP 325.A N SER 303.A O no hydrogen 2.438 N/A PHE 326.A N GLU 334.A O no hydrogen 2.510 N/A GLN 327.A N LYS 301.A O no hydrogen 2.638 N/A GLN 327.A NE2 GLY 330.A O no hydrogen 2.642 N/A LEU 328.A N LYS 331.A O no hydrogen 2.483 N/A ASN 329.A N ASN 299.A O no hydrogen 3.417 N/A ASN 329.A ND2 GLN 296.A OE1 no hydrogen 3.302 N/A ASN 329.A ND2 ASN 299.A OD1 no hydrogen 2.750 N/A LYS 331.A N LEU 328.A O no hydrogen 2.795 N/A SER 332.A OG ASP 325.A OD1 no hydrogen 3.402 N/A SER 332.A OG ASP 325.A OD2 no hydrogen 2.548 N/A ILE 333.A N PHE 326.A O no hydrogen 2.832 N/A GLU 334.A N PHE 326.A O no hydrogen 3.144 N/A GLN 335.A NE2 ASP 325.A OD2 no hydrogen 2.710 N/A ARG 336.A N ILE 324.A O no hydrogen 2.637 N/A ARG 336.A NH1.A SER 289.A O no hydrogen 2.925 N/A ARG 336.A NH2.A SER 289.A O no hydrogen 3.026 N/A LEU 338.A N GLY 322.A O no hydrogen 3.000 N/A ILE 339.A N GLY 283.A O no hydrogen 2.851 N/A VAL 340.A N GLN 319.A O no hydrogen 2.806 N/A MET 341.A N ASN 281.A O no hydrogen 2.880 N/A VAL 344.A N LEU 315.A O no hydrogen 2.789 N/A GLY 347.A N PHE 274.A O no hydrogen 2.871 N/A