Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lu2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH2 LYS 96.A O no hydrogen 2.880 N/A VAL 3.A N LYS 40.A O no hydrogen 3.263 N/A ILE 4.A N ALA 292.A O no hydrogen 2.686 N/A ASP 5.A N LEU 42.A O no hydrogen 2.882 N/A THR 6.A N PHE 252.A O no hydrogen 3.105 N/A THR 6.A OG1 SER 188.A O no hydrogen 2.798 N/A THR 6.A OG1 PHE 252.A O no hydrogen 3.181 N/A HIS 7.A N ASP 5.A OD2 no hydrogen 3.174 N/A CYS 8.A N GLY 44.A O no hydrogen 3.112 N/A CYS 8.A SG GLY 44.A O no hydrogen 3.641 N/A ASP 9.A N PHE 256.A O no hydrogen 2.682 N/A TYR 12.A OH ASP 50.A OD1 no hydrogen 3.202 N/A TYR 12.A OH ASP 50.A OD2 no hydrogen 3.126 N/A LYS 13.A N ASP 9.A O no hydrogen 3.060 N/A LYS 13.A NZ GLU 28.A O no hydrogen 3.104 N/A LYS 13.A NZ ASP 257.A OD1 no hydrogen 2.561 N/A LEU 14.A N ALA 10.A O no hydrogen 2.837 N/A GLN 15.A N LEU 11.A O no hydrogen 2.867 N/A GLN 15.A NE2 LYS 61.A O no hydrogen 2.916 N/A ALA 16.A N TYR 12.A O no hydrogen 3.024 N/A GLY 17.A N LYS 13.A O no hydrogen 2.909 N/A LYS 18.A N GLN 15.A O no hydrogen 3.396 N/A LYS 18.A NZ GLN 15.A O no hydrogen 3.133 N/A LYS 20.A N GLY 17.A O no hydrogen 3.263 N/A ALA 26.A N THR 22.A O no hydrogen 2.968 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.839 N/A GLU 28.A N GLU 28.A OE1 no hydrogen 2.807 N/A LEU 29.A N ALA 26.A O no hydrogen 3.425 N/A ASP 30.A N ASP 257.A OD1 no hydrogen 2.605 N/A VAL 31.A N ASP 257.A OD2 no hydrogen 2.957 N/A ASN 32.A ND2 ALA 26.A O no hydrogen 2.594 N/A PHE 33.A N PHE 23.A O no hydrogen 2.802 N/A GLU 34.A N GLN 24.A O no hydrogen 3.230 N/A ARG 35.A N ASN 32.A OD1 no hydrogen 2.769 N/A ARG 35.A NH1 GLU 27.A O no hydrogen 3.321 N/A ARG 35.A NH1 LEU 29.A O no hydrogen 2.574 N/A LEU 36.A N ASN 32.A O no hydrogen 2.918 N/A ILE 37.A N PHE 33.A O no hydrogen 3.192 N/A GLU 38.A N GLU 34.A O no hydrogen 3.073 N/A ALA 39.A N ARG 35.A O no hydrogen 2.871 N/A LYS 40.A N ILE 37.A O no hydrogen 3.019 N/A LEU 41.A N VAL 3.A O no hydrogen 2.611 N/A LEU 42.A N VAL 3.A O no hydrogen 3.270 N/A GLN 43.A N GLY 98.A O no hydrogen 2.995 N/A GLY 44.A N ASP 5.A O no hydrogen 2.832 N/A ALA 46.A N CYS 8.A O no hydrogen 3.196 N/A ILE 47.A N THR 101.A O no hydrogen 2.774 N/A PHE 48.A N GLN 65.A OE1 no hydrogen 3.017 N/A ILE 53.A N ASP 50.A O no hydrogen 3.058 N/A GLU 56.A N GLU 56.A OE1 no hydrogen 2.726 N/A HIS 57.A N PRO 54.A O no hydrogen 2.721 N/A LYS 58.A NZ ILE 53.A O no hydrogen 3.211 N/A LYS 60.A NZ HIS 57.A ND1 no hydrogen 3.136 N/A LYS 61.A N HIS 57.A O no hydrogen 3.051 N/A ALA 62.A N LYS 58.A O no hydrogen 2.939 N/A VAL 63.A N TRP 59.A O no hydrogen 3.269 N/A GLU 64.A N LYS 60.A O no hydrogen 3.036 N/A GLN 65.A N LYS 61.A O no hydrogen 3.069 N/A GLN 65.A NE2 GLN 15.A OE1 no hydrogen 2.783 N/A GLN 65.A NE2 PHE 48.A O no hydrogen 2.817 N/A VAL 66.A N ALA 62.A O no hydrogen 2.990 N/A ASN 67.A N VAL 63.A O no hydrogen 2.977 N/A ILE 68.A N GLU 64.A O no hydrogen 2.829 N/A PHE 69.A N GLN 65.A O no hydrogen 2.941 N/A LYS 70.A N VAL 66.A O no hydrogen 2.850 N/A LYS 70.A NZ ASN 67.A OD1 no hydrogen 3.454 N/A GLN 71.A N ASN 67.A O no hydrogen 2.820 N/A HIS 72.A N ILE 68.A O no hydrogen 2.765 N/A VAL 73.A N PHE 69.A O no hydrogen 3.116 N/A LEU 74.A N PHE 69.A O no hydrogen 3.043 N/A HIS 75.A N ILE 80.A O no hydrogen 2.918 N/A LYS 76.A NZ GLN 24.A OE1 no hydrogen 3.253 N/A GLY 78.A N HIS 75.A O no hydrogen 2.769 N/A ILE 79.A N LYS 76.A O no hydrogen 3.060 N/A ILE 80.A N LYS 76.A O no hydrogen 3.363 N/A HIS 81.A N ILE 97.A O no hydrogen 2.717 N/A VAL 83.A N ALA 99.A O no hydrogen 2.904 N/A LYS 84.A N ASP 88.A OD2 no hydrogen 3.084 N/A LYS 85.A N ASP 88.A OD2 no hydrogen 3.189 N/A TRP 86.A NE1 LYS 162.A O no hydrogen 2.888 N/A ASP 88.A N LYS 85.A O no hydrogen 2.973 N/A LEU 89.A N TRP 86.A O no hydrogen 3.039 N/A GLU 90.A N TRP 86.A O no hydrogen 3.147 N/A LEU 92.A N LEU 89.A O no hydrogen 3.266 N/A ASP 95.A N ASP 95.A OD1 no hydrogen 2.430 N/A LYS 96.A NZ ASP 95.A OD2 no hydrogen 3.059 N/A ILE 97.A N ILE 79.A O no hydrogen 2.958 N/A GLY 98.A N LEU 41.A O no hydrogen 2.795 N/A ALA 99.A N HIS 81.A O no hydrogen 2.939 N/A THR 101.A N PHE 45.A O no hydrogen 2.953 N/A LEU 102.A N SER 125.A O no hydrogen 2.782 N/A GLU 103.A N ILE 47.A O no hydrogen 3.182 N/A GLY 104.A N GLY 127.A O no hydrogen 2.887 N/A ILE 105.A N LEU 128.A O no hydrogen 3.056 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 2.827 N/A ILE 108.A N ILE 105.A O no hydrogen 2.904 N/A GLY 109.A N GLU 106.A O no hydrogen 3.365 N/A ASP 111.A N ILE 108.A O no hydrogen 2.962 N/A ASP 113.A N ASP 111.A OD1 no hydrogen 2.908 N/A LYS 114.A N ASP 111.A O no hydrogen 3.195 N/A LYS 114.A NZ ASP 111.A OD2 no hydrogen 3.404 N/A LEU 115.A N ASP 111.A O no hydrogen 3.496 N/A THR 116.A N LEU 112.A O no hydrogen 2.910 N/A THR 116.A OG1 LEU 112.A O no hydrogen 3.140 N/A GLN 117.A N ASP 113.A O no hydrogen 2.948 N/A GLN 117.A NE2 ASP 113.A O no hydrogen 3.557 N/A LEU 118.A N LYS 114.A O no hydrogen 3.081 N/A LEU 119.A N LEU 115.A O no hydrogen 2.897 N/A ASP 120.A N THR 116.A O no hydrogen 2.798 N/A GLY 121.A N GLN 117.A O no hydrogen 2.962 N/A GLY 121.A N LEU 118.A O no hydrogen 3.027 N/A GLY 122.A N LEU 119.A O no hydrogen 2.928 N/A VAL 123.A N LEU 118.A O no hydrogen 3.209 N/A LEU 124.A N LEU 100.A O no hydrogen 2.953 N/A VAL 126.A N PHE 164.A O no hydrogen 2.971 N/A GLY 127.A N LEU 102.A O no hydrogen 2.816 N/A THR 129.A OG1 TRP 130.A O no hydrogen 2.853 N/A THR 129.A OG1 HIS 169.A O no hydrogen 3.249 N/A ASN 134.A N ALA 137.A O no hydrogen 2.991 N/A ASN 134.A ND2 GLU 106.A OE1 no hydrogen 3.477 N/A ASN 134.A ND2 GLU 106.A OE2 no hydrogen 3.391 N/A ASN 134.A ND2 LEU 128.A O no hydrogen 2.877 N/A ALA 136.A N ASN 134.A OD1 no hydrogen 2.882 N/A ALA 137.A N ASN 134.A OD1 no hydrogen 3.143 N/A GLY 139.A N ASN 132.A O no hydrogen 3.045 N/A ILE 140.A N HIS 169.A O no hydrogen 2.757 N/A GLU 142.A N GLU 142.A OE2.A no hydrogen 2.978 N/A ARG 143.A N GLU 141.A OE2 no hydrogen 3.114 N/A ARG 143.A NE ASP 138.A OD2 no hydrogen 2.856 N/A ARG 143.A NH2 ASP 138.A OD1 no hydrogen 2.778 N/A ARG 143.A NH2 ASP 138.A OD2 no hydrogen 3.416 N/A ALA 145.A N ASP 138.A OD2 no hydrogen 2.933 N/A LEU 147.A N GLU 177.A OE1 no hydrogen 2.686 N/A THR 148.A N ALA 136.A O no hydrogen 2.972 N/A THR 148.A OG1 LEU 135.A O no hydrogen 2.730 N/A THR 148.A OG1 ALA 136.A O no hydrogen 3.333 N/A GLY 151.A N THR 148.A OG1 no hydrogen 2.956 N/A LYS 152.A N THR 148.A O no hydrogen 3.061 N/A ASP 153.A N ARG 149.A O no hydrogen 2.879 N/A ILE 154.A N PHE 150.A O no hydrogen 2.924 N/A ILE 155.A N GLY 151.A O no hydrogen 3.036 N/A HIS 156.A N LYS 152.A O no hydrogen 2.950 N/A LEU 157.A N ASP 153.A O no hydrogen 3.212 N/A LEU 158.A N ILE 154.A O no hydrogen 2.924 N/A ASN 159.A N ILE 155.A O no hydrogen 2.792 N/A ASN 159.A ND2 GLN 181.A O no hydrogen 2.808 N/A GLU 160.A N HIS 156.A O no hydrogen 3.092 N/A ARG 161.A N LEU 157.A O no hydrogen 2.981 N/A ARG 161.A N LEU 158.A O no hydrogen 3.240 N/A ARG 161.A NH1 ASP 120.A OD1 no hydrogen 3.342 N/A ARG 161.A NH2 ASP 120.A OD1 no hydrogen 2.663 N/A LYS 162.A N ASN 159.A O no hydrogen 3.200 N/A VAL 163.A N LEU 158.A O no hydrogen 2.994 N/A PHE 164.A N LEU 124.A O no hydrogen 3.012 N/A THR 165.A N PHE 184.A O no hydrogen 2.745 N/A ASP 166.A N VAL 126.A O no hydrogen 2.742 N/A VAL 167.A N ILE 186.A O no hydrogen 2.844 N/A SER 168.A N ASP 166.A OD1 no hydrogen 3.021 N/A SER 168.A OG SER 190.A OG no hydrogen 2.705 N/A HIS 169.A ND1 ASN 131.A OD1 no hydrogen 2.885 N/A HIS 169.A NE2 HIS 189.A NE2 no hydrogen 3.034 N/A LEU 170.A N VAL 167.A O no hydrogen 3.004 N/A SER 171.A N ASP 138.A O no hydrogen 3.052 N/A SER 171.A OG ASP 138.A O no hydrogen 3.400 N/A SER 171.A OG ALA 145.A O no hydrogen 2.887 N/A LYS 173.A NZ GLU 177.A OE2 no hydrogen 2.840 N/A ALA 174.A N SER 171.A OG no hydrogen 3.076 N/A PHE 175.A N SER 171.A O no hydrogen 2.847 N/A TRP 176.A N VAL 172.A O no hydrogen 3.166 N/A GLU 177.A N LYS 173.A O no hydrogen 3.032 N/A THR 178.A N ALA 174.A O no hydrogen 2.796 N/A THR 178.A OG1 ALA 174.A O no hydrogen 2.740 N/A LEU 179.A N PHE 175.A O no hydrogen 2.977 N/A GLU 180.A N GLU 177.A O no hydrogen 3.059 N/A GLN 181.A N THR 178.A O no hydrogen 2.964 N/A ALA 182.A N THR 178.A O no hydrogen 2.733 N/A GLU 183.A N ASN 159.A OD1 no hydrogen 2.829 N/A ILE 186.A N THR 165.A O no hydrogen 2.966 N/A SER 188.A N ASP 166.A OD1 no hydrogen 2.987 N/A SER 188.A OG ASP 166.A OD2 no hydrogen 2.455 N/A SER 188.A OG HIS 189.A ND1 no hydrogen 2.685 N/A HIS 189.A N SER 168.A OG no hydrogen 2.975 N/A HIS 189.A ND1 SER 188.A OG no hydrogen 2.685 N/A HIS 189.A NE2 HIS 169.A NE2 no hydrogen 3.034 N/A SER 190.A N HIS 216.A O no hydrogen 2.955 N/A SER 190.A OG SER 168.A OG no hydrogen 2.705 N/A SER 191.A N ASN 201.A OD1 no hydrogen 3.040 N/A ALA 192.A N HIS 238.A ND1 no hydrogen 2.907 N/A LYS 193.A N LEU 202.A O no hydrogen 2.842 N/A ILE 195.A N ALA 192.A O no hydrogen 3.020 N/A CYS 196.A N ALA 192.A O no hydrogen 3.045 N/A CYS 196.A SG LEU 222.A O no hydrogen 3.527 N/A ARG 200.A NH1 HIS 189.A O no hydrogen 3.058 N/A ARG 200.A NH1 SER 190.A OG no hydrogen 3.323 N/A ARG 200.A NH1 ARG 200.A O no hydrogen 3.369 N/A ARG 200.A NH2 HIS 189.A O no hydrogen 2.933 N/A ASN 201.A N HIS 198.A O no hydrogen 2.877 N/A ASN 201.A ND2 CYS 196.A O no hydrogen 2.956 N/A ASN 201.A ND2 PHE 223.A O no hydrogen 2.869 N/A LEU 202.A N SER 191.A O no hydrogen 2.838 N/A ASP 203.A N GLN 206.A OE1 no hydrogen 2.907 N/A GLN 206.A N ASP 203.A OD1 no hydrogen 2.883 N/A ILE 207.A N ASP 203.A O no hydrogen 2.969 N/A LYS 208.A N ASP 204.A O no hydrogen 2.991 N/A ALA 209.A N GLU 205.A O no hydrogen 2.931 N/A GLU 211.A N LYS 208.A O no hydrogen 2.841 N/A HIS 212.A N ALA 209.A O no hydrogen 2.829 N/A HIS 212.A ND1.B ALA 209.A O no hydrogen 2.507 N/A HIS 212.A NE2.A LEU 179.A O no hydrogen 3.055 N/A ASP 213.A N ILE 210.A O no hydrogen 2.881 N/A HIS 216.A N ALA 187.A O no hydrogen 2.900 N/A VAL 217.A N GLY 251.A O no hydrogen 3.015 N/A PHE 219.A N SER 254.A O no hydrogen 2.986 N/A LEU 222.A N HIS 220.A ND1 no hydrogen 3.160 N/A PHE 223.A N HIS 220.A O no hydrogen 2.988 N/A THR 224.A N PRO 221.A O no hydrogen 3.163 N/A THR 224.A OG1 HIS 220.A O no hydrogen 2.857 N/A THR 225.A N PRO 221.A O no hydrogen 3.261 N/A THR 225.A OG1 ASP 227.A OD1 no hydrogen 3.375 N/A THR 225.A OG1 VAL 229.A O no hydrogen 3.003 N/A GLY 228.A N THR 225.A O no hydrogen 2.961 N/A VAL 229.A N ASP 227.A OD1 no hydrogen 2.854 N/A ASP 231.A N ASP 234.A OD2 no hydrogen 2.996 N/A ASP 234.A N ASP 231.A OD1 no hydrogen 3.050 N/A VAL 235.A N ASP 231.A O no hydrogen 3.325 N/A ILE 236.A N ILE 232.A O no hydrogen 2.986 N/A ARG 237.A N GLU 233.A O no hydrogen 3.082 N/A ARG 237.A N ASP 234.A O no hydrogen 3.241 N/A ARG 237.A NH1.A GLU 233.A O no hydrogen 3.180 N/A ARG 237.A NH1.A GLU 233.A OE1 no hydrogen 3.170 N/A ARG 237.A NH2.A ASP 240.A OD2 no hydrogen 2.615 N/A ARG 237.A NH2.B ASP 234.A OD1 no hydrogen 2.914 N/A HIS 238.A N VAL 235.A O no hydrogen 2.891 N/A HIS 238.A NE2 THR 224.A O no hydrogen 2.837 N/A ILE 239.A N VAL 235.A O no hydrogen 3.425 N/A ASP 240.A N ILE 236.A O no hydrogen 2.807 N/A HIS 241.A N ARG 237.A O no hydrogen 3.110 N/A HIS 241.A NE2 ASP 204.A OD1 no hydrogen 2.776 N/A ILE 242.A N HIS 238.A O no hydrogen 3.094 N/A CYS 243.A N ILE 239.A O no hydrogen 2.952 N/A CYS 243.A SG ILE 239.A O no hydrogen 3.408 N/A CYS 243.A SG TYR 283.A OH no hydrogen 3.846 N/A GLU 244.A N ASP 240.A O no hydrogen 2.952 N/A LEU 245.A N HIS 241.A O no hydrogen 3.141 N/A LEU 245.A N ILE 242.A O no hydrogen 3.151 N/A GLY 246.A N CYS 243.A O no hydrogen 2.835 N/A GLY 247.A N ILE 242.A O no hydrogen 2.849 N/A ASN 249.A N GLY 247.A O no hydrogen 2.723 N/A ASN 249.A ND2 ALA 214.A O no hydrogen 2.950 N/A GLY 251.A N ILE 215.A O no hydrogen 2.861 N/A GLY 253.A N VAL 217.A O no hydrogen 2.862 N/A SER 254.A N ASP 5.A OD1 no hydrogen 2.882 N/A SER 254.A N ASP 5.A OD2 no hydrogen 3.409 N/A SER 254.A OG ASP 5.A OD1 no hydrogen 3.107 N/A SER 254.A OG ASP 5.A OD2 no hydrogen 3.027 N/A SER 254.A OG HIS 7.A O no hydrogen 3.295 N/A ASP 255.A N HIS 7.A O no hydrogen 2.738 N/A PHE 256.A N SER 254.A OG no hydrogen 3.036 N/A ASP 257.A N ASP 30.A OD2 no hydrogen 2.852 N/A GLY 258.A N ASP 255.A O no hydrogen 3.250 N/A HIS 262.A NE2 ASP 30.A OD2 no hydrogen 2.920 N/A LYS 264.A N ALA 230.A O no hydrogen 3.045 N/A GLY 265.A N GLU 267.A OE2 no hydrogen 2.881 N/A LEU 266.A N VAL 263.A O no hydrogen 2.808 N/A GLU 267.A N GLU 267.A OE1 no hydrogen 2.847 N/A ALA 269.A N ASP 30.A O no hydrogen 3.063 N/A GLY 270.A N HIS 268.A ND1 no hydrogen 2.928 N/A LYS 271.A N HIS 268.A O no hydrogen 2.845 N/A TYR 272.A N ALA 269.A O no hydrogen 3.263 N/A TYR 272.A OH ASP 5.A OD1 no hydrogen 2.603 N/A GLN 273.A NE2 ALA 39.A O no hydrogen 2.794 N/A PHE 275.A N LYS 271.A O no hydrogen 3.128 N/A LEU 276.A N TYR 272.A O no hydrogen 2.945 N/A GLU 277.A N GLN 273.A O no hydrogen 2.962 N/A THR 278.A N ASN 274.A O no hydrogen 3.007 N/A THR 278.A OG1 ASN 274.A O no hydrogen 3.208 N/A LEU 279.A N PHE 275.A O no hydrogen 2.808 N/A GLY 280.A N LEU 276.A O no hydrogen 2.795 N/A LYS 281.A N THR 278.A O no hydrogen 3.035 N/A HIS 282.A N LEU 279.A O no hydrogen 2.836 N/A TYR 283.A N LEU 279.A O no hydrogen 3.119 N/A TYR 283.A OH ASP 240.A OD1 no hydrogen 2.583 N/A THR 284.A N GLU 287.A OE1 no hydrogen 2.904 N/A GLU 287.A N THR 284.A OG1 no hydrogen 3.098 N/A VAL 288.A N THR 284.A O no hydrogen 2.904 N/A GLU 289.A N LYS 285.A O no hydrogen 2.983 N/A GLY 290.A N GLU 286.A O no hydrogen 3.386 N/A PHE 291.A N GLU 287.A O no hydrogen 3.117 N/A ALA 292.A N VAL 288.A O no hydrogen 2.743 N/A SER 293.A N GLU 289.A O no hydrogen 3.021 N/A ARG 294.A N GLU 289.A O no hydrogen 2.908 N/A ARG 294.A NH1 GLU 286.A O no hydrogen 2.992 N/A ARG 294.A NH2 GLU 286.A O no hydrogen 3.077 N/A ASN 295.A N GLY 290.A O no hydrogen 2.969 N/A ASN 295.A ND2 ILE 250.A O no hydrogen 2.965 N/A LEU 297.A N SER 293.A O no hydrogen 2.974 N/A ASN 298.A N ARG 294.A O no hydrogen 2.932 N/A HIS 299.A N PHE 296.A O no hydrogen 2.745 N/A HIS 299.A ND1 ASN 295.A O no hydrogen 2.625 N/A