Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3lkv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASN 37.A O no hydrogen 2.858 N/A LYS 4.A N ASP 65.A OD2 no hydrogen 2.700 N/A LYS 4.A NZ GLU 39.A OE2 no hydrogen 2.956 N/A LYS 4.A NZ ASP 41.A OD2 no hydrogen 3.095 N/A VAL 5.A N GLU 39.A O no hydrogen 2.951 N/A ALA 6.A N VAL 66.A O no hydrogen 3.038 N/A VAL 7.A N ASP 41.A O no hydrogen 2.756 N/A SER 8.A N VAL 68.A O no hydrogen 2.875 N/A GLN 9.A N LYS 43.A O no hydrogen 3.089 N/A GLN 9.A NE2 VAL 11.A O no hydrogen 2.907 N/A GLN 9.A NE2 ASP 17.A OD1 no hydrogen 2.815 N/A HIS 13.A NE2 ASN 196.A OD1 no hydrogen 2.883 N/A ASP 17.A N HIS 13.A O no hydrogen 3.044 N/A ALA 18.A N PRO 14.A O no hydrogen 2.870 N/A THR 19.A N ALA 15.A O no hydrogen 3.017 N/A THR 19.A OG1 ALA 15.A O no hydrogen 2.938 N/A THR 19.A OG1 TYR 235.A O no hydrogen 3.449 N/A ARG 20.A N LEU 16.A O no hydrogen 2.949 N/A ARG 20.A NH1 GLN 9.A OE1 no hydrogen 2.716 N/A ARG 20.A NH1 ASP 17.A OD1 no hydrogen 3.040 N/A GLN 21.A N ASP 17.A O no hydrogen 3.032 N/A GLN 21.A NE2 GLN 21.A O no hydrogen 3.488 N/A GLN 21.A NE2 ASP 25.A OD1 no hydrogen 2.824 N/A GLY 22.A N ALA 18.A O no hydrogen 2.925 N/A LEU 23.A N THR 19.A O no hydrogen 2.981 N/A LEU 24.A N ARG 20.A O no hydrogen 3.140 N/A ASP 25.A N GLN 21.A O no hydrogen 2.905 N/A GLY 26.A N GLY 22.A O no hydrogen 2.837 N/A LEU 27.A N LEU 23.A O no hydrogen 2.867 N/A LYS 28.A N LEU 24.A O no hydrogen 3.091 N/A ALA 29.A N ASP 25.A O no hydrogen 2.998 N/A LYS 30.A N GLY 26.A O no hydrogen 3.053 N/A GLY 31.A N LYS 28.A O no hydrogen 2.895 N/A TYR 32.A N LEU 27.A O no hydrogen 2.901 N/A TYR 32.A OH GLU 251.A OE2 no hydrogen 3.213 N/A GLU 33.A N ASN 37.A OD1 no hydrogen 2.858 N/A LYS 36.A N GLU 33.A O no hydrogen 3.011 N/A LYS 36.A NZ GLU 33.A OE1 no hydrogen 3.367 N/A ASN 37.A N GLU 33.A O no hydrogen 3.136 N/A ASN 37.A ND2 GLY 31.A O no hydrogen 2.852 N/A LEU 38.A N GLU 33.A O no hydrogen 3.153 N/A GLU 39.A N ALA 3.A O no hydrogen 2.858 N/A ASP 41.A N VAL 5.A O no hydrogen 2.913 N/A TYR 42.A OH GLU 12.A OE2 no hydrogen 2.587 N/A LYS 43.A N VAL 7.A O no hydrogen 2.946 N/A ALA 45.A N GLN 9.A O no hydrogen 2.934 N/A GLN 46.A N THR 44.A OG1 no hydrogen 2.960 N/A GLY 47.A N ILE 10.A O no hydrogen 2.727 N/A ASN 48.A N ALA 45.A O no hydrogen 2.861 N/A ALA 50.A N ASN 48.A OD1 no hydrogen 2.645 N/A ALA 52.A N ASN 48.A O no hydrogen 3.022 N/A GLN 54.A N ALA 50.A O no hydrogen 3.034 N/A ILE 55.A N ILE 51.A O no hydrogen 2.790 N/A ALA 56.A N ALA 52.A O no hydrogen 3.072 N/A ARG 57.A N VAL 53.A O no hydrogen 2.994 N/A GLN 58.A N GLN 54.A O no hydrogen 2.991 N/A PHE 59.A N ILE 55.A O no hydrogen 2.808 N/A VAL 60.A N ALA 56.A O no hydrogen 2.878 N/A GLY 61.A N ARG 57.A O no hydrogen 3.197 N/A GLU 62.A N PHE 59.A O no hydrogen 3.032 N/A ASN 63.A N VAL 60.A O no hydrogen 3.356 N/A ASP 65.A N LYS 4.A O no hydrogen 2.811 N/A VAL 66.A N LYS 4.A O no hydrogen 3.221 N/A LEU 67.A N PRO 86.A O no hydrogen 2.843 N/A VAL 68.A N ALA 6.A O no hydrogen 2.816 N/A GLY 69.A N VAL 88.A O no hydrogen 3.018 N/A ILE 70.A N SER 8.A O no hydrogen 2.855 N/A ALA 71.A N THR 90.A O no hydrogen 3.021 N/A THR 74.A OG1 ILE 70.A O no hydrogen 2.895 N/A THR 74.A OG1 ALA 71.A O no hydrogen 3.346 N/A ALA 75.A N ALA 71.A O no hydrogen 3.113 N/A GLN 76.A N THR 72.A O no hydrogen 2.847 N/A GLN 76.A NE2 ALA 98.A O no hydrogen 3.031 N/A ALA 77.A N PRO 73.A O no hydrogen 3.083 N/A LEU 78.A N THR 74.A O no hydrogen 3.085 N/A VAL 79.A N ALA 75.A O no hydrogen 3.060 N/A SER 80.A N GLN 76.A O no hydrogen 3.167 N/A ALA 81.A N ALA 77.A O no hydrogen 3.119 N/A ALA 81.A N LEU 78.A O no hydrogen 2.957 N/A THR 82.A N LEU 78.A O no hydrogen 2.965 N/A LYS 83.A NZ VAL 79.A O no hydrogen 2.869 N/A THR 84.A N THR 82.A OG1 no hydrogen 3.247 N/A THR 84.A OG1 THR 82.A OG1 no hydrogen 3.301 N/A ILE 85.A N THR 82.A OG1 no hydrogen 3.089 N/A ILE 87.A N ASN 110.A O no hydrogen 2.830 N/A VAL 88.A N LEU 67.A O no hydrogen 2.877 N/A PHE 89.A N THR 112.A O no hydrogen 2.868 N/A THR 90.A N GLY 69.A O no hydrogen 2.903 N/A THR 90.A OG1 THR 242.A OG1 no hydrogen 2.761 N/A VAL 92.A N LEU 114.A O no hydrogen 3.432 N/A GLY 97.A N ASP 94.A OD1 no hydrogen 3.037 N/A ALA 98.A N ASP 94.A O no hydrogen 2.925 N/A LYS 99.A N VAL 96.A O no hydrogen 2.894 N/A LEU 100.A N PRO 95.A O no hydrogen 2.997 N/A GLN 103.A NE2 GLU 105.A O no hydrogen 3.236 N/A GLN 103.A NE2 GLN 106.A O no hydrogen 3.040 N/A GLN 106.A N ASP 259.A OD1 no hydrogen 2.918 N/A GLN 106.A NE2 SER 257.A O no hydrogen 2.897 N/A GLN 106.A NE2 ASP 259.A OD1 no hydrogen 2.836 N/A GLY 108.A N GLY 256.A O no hydrogen 2.907 N/A ASN 110.A ND2 THR 82.A O no hydrogen 3.092 N/A ASN 110.A ND2 ILE 85.A O no hydrogen 2.904 N/A THR 112.A N ILE 87.A O no hydrogen 2.949 N/A THR 112.A OG1 LEU 258.A O no hydrogen 2.693 N/A LEU 114.A N PHE 89.A O no hydrogen 2.935 N/A SER 115.A N GLN 261.A O no hydrogen 2.808 N/A SER 115.A OG VAL 92.A O no hydrogen 2.909 N/A SER 115.A OG THR 93.A O no hydrogen 2.920 N/A ASP 116.A N VAL 92.A O no hydrogen 3.030 N/A LEU 117.A N SER 115.A OG no hydrogen 3.230 N/A HIS 123.A N PRO 119.A O no hydrogen 2.993 N/A HIS 123.A ND1 TYR 191.A OH no hydrogen 2.748 N/A HIS 123.A NE2 LEU 231.A O no hydrogen 2.906 N/A VAL 124.A N VAL 120.A O no hydrogen 2.906 N/A GLU 125.A N GLU 121.A O no hydrogen 2.991 N/A LEU 126.A N GLN 122.A O no hydrogen 2.879 N/A ILE 127.A N HIS 123.A O no hydrogen 2.850 N/A LYS 128.A N VAL 124.A O no hydrogen 2.910 N/A LYS 128.A NZ HIS 161.A ND1 no hydrogen 3.199 N/A GLU 129.A N GLU 125.A O no hydrogen 3.038 N/A ILE 130.A N LEU 126.A O no hydrogen 2.971 N/A LEU 131.A N ILE 127.A O no hydrogen 2.923 N/A VAL 134.A N LEU 131.A O no hydrogen 3.110 N/A LYS 135.A N ASP 188.A OD2 no hydrogen 2.868 N/A SER 136.A OG LYS 186.A O no hydrogen 2.913 N/A ILE 137.A N LYS 164.A O no hydrogen 2.778 N/A GLY 138.A N VAL 189.A O no hydrogen 2.855 N/A VAL 139.A N VAL 166.A O no hydrogen 2.857 N/A TYR 141.A N ALA 168.A O no hydrogen 3.157 N/A ASN 142.A N ASP 195.A OD2 no hydrogen 2.865 N/A ASN 142.A ND2 LEU 171.A O no hydrogen 3.265 N/A ASN 142.A ND2 THR 197.A OG1 no hydrogen 2.916 N/A GLY 144.A N ASN 142.A OD1 no hydrogen 2.768 N/A GLU 145.A N ASN 142.A O no hydrogen 2.973 N/A ASN 147.A ND2 GLU 145.A OE1 no hydrogen 2.957 N/A ASN 147.A ND2 ILE 194.A O no hydrogen 3.066 N/A ALA 148.A N GLU 145.A O no hydrogen 2.749 N/A VAL 149.A N GLU 145.A O no hydrogen 3.125 N/A SER 150.A N ALA 146.A O no hydrogen 2.927 N/A SER 150.A OG ASP 94.A OD2 no hydrogen 2.803 N/A SER 150.A OG ALA 146.A O no hydrogen 3.058 N/A LEU 151.A N ASN 147.A O no hydrogen 2.980 N/A LEU 153.A N SER 150.A O no hydrogen 3.301 N/A LEU 154.A N LEU 151.A O no hydrogen 2.780 N/A LYS 155.A NZ GLU 167.A OE1 no hydrogen 2.760 N/A LYS 155.A NZ GLU 167.A OE2 no hydrogen 2.513 N/A LEU 156.A N GLU 152.A O no hydrogen 3.350 N/A SER 157.A N LEU 153.A O no hydrogen 3.079 N/A SER 157.A OG GLU 121.A OE2 no hydrogen 2.616 N/A ALA 158.A N LEU 154.A O no hydrogen 2.750 N/A ALA 159.A N LYS 155.A O no hydrogen 3.209 N/A LYS 160.A N LEU 156.A O no hydrogen 3.002 N/A LYS 160.A NZ GLU 121.A OE1 no hydrogen 3.154 N/A HIS 161.A N SER 157.A O no hydrogen 3.149 N/A HIS 161.A N ALA 158.A O no hydrogen 3.161 N/A HIS 161.A NE2 GLU 121.A OE1 no hydrogen 2.833 N/A GLY 162.A N ALA 159.A O no hydrogen 3.144 N/A ILE 163.A N ALA 158.A O no hydrogen 2.865 N/A LYS 164.A N LYS 135.A O no hydrogen 2.955 N/A VAL 166.A N ILE 137.A O no hydrogen 2.725 N/A ALA 168.A N VAL 139.A O no hydrogen 3.055 N/A ALA 170.A N TYR 141.A O no hydrogen 2.929 N/A LYS 172.A NZ ASP 175.A OD1 no hydrogen 2.761 N/A LYS 172.A NZ ASP 175.A OD2 no hydrogen 3.205 N/A ASP 175.A N LYS 172.A O no hydrogen 2.955 N/A VAL 176.A N SER 173.A O no hydrogen 3.183 N/A ALA 179.A N ASP 175.A O no hydrogen 3.042 N/A THR 180.A N VAL 176.A O no hydrogen 2.884 N/A THR 180.A OG1 VAL 176.A O no hydrogen 2.802 N/A GLN 181.A N GLN 177.A O no hydrogen 2.865 N/A ALA 182.A N SER 178.A O no hydrogen 2.883 N/A ILE 183.A N THR 180.A O no hydrogen 2.977 N/A LYS 186.A N ILE 183.A O no hydrogen 3.142 N/A SER 187.A N ALA 184.A O no hydrogen 3.255 N/A SER 187.A OG ILE 183.A O no hydrogen 2.805 N/A ASP 188.A N SER 136.A O no hydrogen 3.064 N/A ILE 190.A N PRO 214.A O no hydrogen 2.882 N/A TYR 191.A N GLY 138.A O no hydrogen 2.821 N/A TYR 191.A OH HIS 123.A ND1 no hydrogen 2.748 N/A ALA 192.A N PHE 216.A O no hydrogen 2.845 N/A ASP 195.A N LEU 193.A O no hydrogen 2.858 N/A ASN 196.A N GLU 145.A OE1 no hydrogen 2.888 N/A ASN 196.A ND2 GLU 145.A OE1 no hydrogen 3.000 N/A THR 197.A N GLU 145.A OE2 no hydrogen 3.022 N/A THR 197.A OG1 GLU 145.A OE2 no hydrogen 2.634 N/A VAL 198.A N ASP 195.A OD1 no hydrogen 2.839 N/A ALA 199.A N ASP 195.A O no hydrogen 2.870 N/A SER 200.A N ASN 196.A O no hydrogen 2.972 N/A SER 200.A OG ASN 196.A O no hydrogen 3.361 N/A SER 200.A OG THR 197.A O no hydrogen 3.100 N/A ALA 201.A N VAL 198.A O no hydrogen 2.917 N/A VAL 206.A N GLU 203.A O no hydrogen 2.959 N/A ALA 207.A N GLY 204.A O no hydrogen 3.123 N/A ASN 209.A N ILE 205.A O no hydrogen 2.793 N/A GLN 210.A N VAL 206.A O no hydrogen 3.046 N/A ALA 211.A N ALA 207.A O no hydrogen 3.061 N/A LYS 212.A N ASN 209.A O no hydrogen 3.010 N/A THR 213.A N ALA 208.A O no hydrogen 2.823 N/A THR 213.A OG1 ALA 184.A O no hydrogen 3.003 N/A THR 213.A OG1 ALA 211.A O no hydrogen 3.293 N/A PHE 216.A N ILE 190.A O no hydrogen 2.726 N/A GLY 217.A N ALA 229.A O no hydrogen 2.863 N/A ALA 218.A N ALA 192.A O no hydrogen 3.034 N/A TYR 222.A N ALA 219.A O no hydrogen 2.918 N/A TYR 222.A OH LEU 193.A O no hydrogen 2.793 N/A VAL 223.A N THR 220.A O no hydrogen 2.975 N/A GLU 224.A N THR 220.A O no hydrogen 3.178 N/A ARG 225.A N TYR 222.A O no hydrogen 3.057 N/A GLY 226.A N VAL 223.A O no hydrogen 2.998 N/A ALA 227.A N TYR 222.A O no hydrogen 3.181 N/A ILE 228.A N VAL 215.A O no hydrogen 2.924 N/A SER 230.A N VAL 269.A O no hydrogen 2.865 N/A LEU 231.A N GLY 217.A O no hydrogen 3.170 N/A TYR 235.A OH ASP 116.A OD2 no hydrogen 2.485 N/A TYR 236.A OH ASP 25.A OD2 no hydrogen 2.523 N/A GLN 237.A N ASP 234.A OD1 no hydrogen 3.300 N/A ILE 238.A N ASP 234.A O no hydrogen 3.203 N/A GLY 239.A N TYR 235.A O no hydrogen 2.970 N/A VAL 240.A N TYR 236.A O no hydrogen 2.958 N/A GLN 241.A N GLN 237.A O no hydrogen 2.867 N/A THR 242.A N ILE 238.A O no hydrogen 2.868 N/A THR 242.A OG1 THR 90.A OG1 no hydrogen 2.761 N/A THR 242.A OG1 ILE 238.A O no hydrogen 2.684 N/A ALA 243.A N GLY 239.A O no hydrogen 3.285 N/A ALA 243.A N VAL 240.A O no hydrogen 3.141 N/A ASP 244.A N GLN 241.A O no hydrogen 3.155 N/A TYR 245.A OH ASP 259.A O no hydrogen 2.528 N/A VAL 246.A N THR 242.A O no hydrogen 3.139 N/A ALA 247.A N ALA 243.A O no hydrogen 2.852 N/A ALA 248.A N ASP 244.A O no hydrogen 3.056 N/A ILE 249.A N TYR 245.A O no hydrogen 2.901 N/A LEU 250.A N VAL 246.A O no hydrogen 2.962 N/A GLU 251.A N ALA 247.A O no hydrogen 3.067 N/A GLU 251.A N ALA 248.A O no hydrogen 3.198 N/A GLY 252.A N ILE 249.A O no hydrogen 2.882 N/A LYS 253.A N ALA 248.A O no hydrogen 3.094 N/A SER 257.A N GLU 254.A O no hydrogen 3.037 N/A SER 257.A OG GLU 254.A O no hydrogen 2.810 N/A LEU 258.A N PRO 255.A O no hydrogen 2.956 N/A VAL 260.A N LEU 104.A O no hydrogen 3.003 N/A GLN 261.A N GLY 113.A O no hydrogen 3.077 N/A ALA 263.A N SER 115.A O no hydrogen 2.782 N/A ASP 267.A N GLY 232.A O no hydrogen 2.877 N/A VAL 269.A N SER 230.A O no hydrogen 3.034 N/A ASN 271.A N ILE 228.A O no hydrogen 2.597 N/A ASN 271.A ND2 VAL 223.A O no hydrogen 2.995 N/A THR 273.A OG1 LYS 294.A O no hydrogen 3.242 N/A ALA 274.A N ASN 271.A OD1 no hydrogen 3.086 N/A ALA 275.A N ASN 271.A O no hydrogen 2.981 N/A GLU 276.A N LYS 272.A O no hydrogen 2.890 N/A GLN 277.A N THR 273.A O no hydrogen 2.926 N/A LEU 278.A N ALA 274.A O no hydrogen 3.266 N/A LEU 278.A N ALA 275.A O no hydrogen 2.944 N/A GLY 279.A N GLU 276.A O no hydrogen 2.868 N/A ILE 280.A N ALA 275.A O no hydrogen 2.804 N/A VAL 286.A N PRO 283.A O no hydrogen 3.196 N/A LEU 287.A N PRO 283.A O no hydrogen 3.007 N/A ALA 288.A N GLU 284.A O no hydrogen 2.952 N/A ARG 289.A N VAL 286.A O no hydrogen 3.019 N/A ARG 289.A NH1 GLU 129.A OE2 no hydrogen 3.173 N/A ARG 289.A NH2 GLU 129.A OE1 no hydrogen 3.001 N/A ALA 290.A N LEU 287.A O no hydrogen 3.368 N/A THR 291.A OG1 LEU 268.A O no hydrogen 3.382 N/A