Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k8p_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A OG1 ASN 1.A O no hydrogen 3.294 N/A LEU 6.A N ILE 2.A O no hydrogen 3.467 N/A LYS 7.A N TYR 3.A O no hydrogen 3.293 N/A PHE 8.A N THR 4.A O no hydrogen 2.942 N/A GLU 9.A N THR 5.A O no hydrogen 3.026 N/A SER 10.A N LEU 6.A O no hydrogen 3.236 N/A GLN 11.A NE2 GLU 9.A O no hydrogen 3.515 N/A GLN 12.A N SER 10.A O no hydrogen 3.188 N/A ARG 13.A NE GLN 16.A OE1 no hydrogen 2.830 N/A ARG 13.A NH2 GLN 16.A OE1 no hydrogen 3.035 N/A ILE 15.A N GLN 11.A O no hydrogen 2.777 N/A GLN 16.A N GLN 12.A O no hydrogen 3.026 N/A ILE 17.A N ARG 13.A O no hydrogen 2.957 N/A ARG 18.A N VAL 14.A O no hydrogen 2.973 N/A SER 19.A OG ILE 15.A O no hydrogen 2.294 N/A ILE 20.A N ILE 17.A O no hydrogen 3.258 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.784 N/A GLU 24.A N PRO 21.A O no hydrogen 2.812 N/A TYR 25.A N GLU 22.A O no hydrogen 3.210 N/A HIS 26.A ND1 GLU 22.A O no hydrogen 3.078 N/A VAL 29.A N VAL 36.A O no hydrogen 3.119 N/A VAL 31.A N ILE 34.A O no hydrogen 3.057 N/A GLN 35.A NE2 SER 30.A OG no hydrogen 3.149 N/A VAL 36.A N VAL 29.A O no hydrogen 3.261 N/A SER 37.A N ASP 93.A OD1 no hydrogen 2.878 N/A SER 37.A OG ASP 93.A OD1 no hydrogen 3.443 N/A SER 37.A OG ASP 93.A OD2 no hydrogen 2.451 N/A VAL 38.A N GLU 27.A O no hydrogen 2.897 N/A PHE 39.A N GLU 24.A O no hydrogen 3.037 N/A VAL 40.A N SER 37.A O no hydrogen 3.210 N/A SER 42.A OG GLU 24.A OE2 no hydrogen 2.786 N/A ALA 43.A N PHE 39.A O no hydrogen 2.802 N/A ALA 44.A N VAL 40.A O no hydrogen 2.936 N/A LYS 45.A N SER 42.A O no hydrogen 3.133 N/A THR 48.A N ALA 44.A O no hydrogen 3.216 N/A THR 48.A OG1 ALA 44.A O no hydrogen 3.492 N/A GLU 49.A N LYS 45.A O no hydrogen 2.669 N/A PHE 50.A N VAL 46.A O no hydrogen 2.985 N/A GLN 52.A N THR 48.A O no hydrogen 2.992 N/A GLY 53.A N GLU 49.A O no hydrogen 2.833 N/A CYS 54.A N PHE 50.A O no hydrogen 2.935 N/A CYS 54.A SG PHE 50.A O no hydrogen 3.377 N/A ASP 55.A N GLU 51.A O no hydrogen 2.836 N/A THR 56.A OG1 GLN 52.A O no hydrogen 3.268 N/A ILE 57.A N CYS 54.A O no hydrogen 3.042 N/A GLY 58.A N ASP 55.A O no hydrogen 2.908 N/A ARG 59.A N ILE 57.A O no hydrogen 3.163 N/A SER 60.A OG ARG 59.A O no hydrogen 2.384 N/A LYS 61.A N ARG 59.A O no hydrogen 2.352 N/A ILE 65.A N VAL 62.A O no hydrogen 3.155 N/A TYR 66.A N VAL 62.A O no hydrogen 2.724 N/A TYR 66.A OH GLU 51.A OE1 no hydrogen 3.288 N/A TYR 66.A OH GLU 51.A OE2 no hydrogen 3.031 N/A LYS 69.A N ILE 65.A O no hydrogen 3.113 N/A LYS 69.A NZ GLU 9.A OE2 no hydrogen 2.882 N/A PHE 70.A N TYR 66.A O no hydrogen 2.982 N/A ASN 71.A N LEU 67.A O no hydrogen 2.919 N/A LEU 72.A N TYR 68.A O no hydrogen 2.855 N/A LEU 73.A N LYS 69.A O no hydrogen 3.090 N/A GLN 74.A N PHE 70.A O no hydrogen 3.218 N/A GLN 74.A NE2 PHE 70.A O no hydrogen 3.492 N/A THR 75.A N ASN 71.A O no hydrogen 2.964 N/A THR 75.A OG1 ASN 71.A O no hydrogen 2.782 N/A ALA 76.A N LEU 72.A O no hydrogen 2.730 N/A PHE 77.A N LEU 73.A O no hydrogen 2.916 N/A PHE 78.A N GLN 74.A O no hydrogen 2.853 N/A ALA 79.A N THR 75.A O no hydrogen 2.867 N/A SER 81.A N PHE 78.A O no hydrogen 2.974 N/A SER 81.A OG PHE 78.A O no hydrogen 2.753 N/A LYS 83.A N VAL 80.A O no hydrogen 2.999 N/A LYS 83.A NZ GLU 22.A OE1 no hydrogen 3.038 N/A VAL 84.A N VAL 80.A O no hydrogen 3.109 N/A THR 88.A N ASP 86.A OD1 no hydrogen 3.078 N/A THR 88.A OG1 ASP 86.A OD1 no hydrogen 2.712 N/A GLN 89.A NE2 GLN 35.A O no hydrogen 3.236 N/A LEU 90.A N ASP 86.A O no hydrogen 3.242 N/A TYR 91.A N TRP 87.A O no hydrogen 3.167 N/A LYS 92.A N THR 88.A O no hydrogen 3.142 N/A LYS 92.A NZ LYS 166.A O no hydrogen 3.065 N/A ASP 93.A N GLN 89.A O no hydrogen 2.574 N/A VAL 94.A N LEU 90.A O no hydrogen 2.745 N/A ARG 95.A N TYR 91.A O no hydrogen 2.975 N/A ARG 95.A NH1 LEU 167.A O no hydrogen 3.344 N/A TYR 96.A N LYS 92.A O no hydrogen 2.838 N/A LEU 97.A N ASP 93.A O no hydrogen 3.222 N/A TYR 98.A N VAL 94.A O no hydrogen 3.264 N/A THR 99.A N ARG 95.A O no hydrogen 3.033 N/A THR 99.A OG1 ARG 95.A O no hydrogen 3.161 N/A GLU 100.A N TYR 96.A O no hydrogen 3.296 N/A ASN 101.A N LEU 97.A O no hydrogen 3.105 N/A LYS 103.A N ASN 101.A OD1 no hydrogen 2.809 N/A LEU 104.A N ASN 101.A O no hydrogen 3.298 N/A LEU 105.A N LYS 103.A O no hydrogen 3.082 N/A LEU 107.A N GLN 74.A OE1 no hydrogen 2.903 N/A LEU 109.A N GLN 106.A O no hydrogen 2.835 N/A ASN 110.A N LEU 107.A O no hydrogen 2.843 N/A ASN 110.A ND2 TYR 91.A O no hydrogen 2.850 N/A SER 111.A OG GLU 108.A O no hydrogen 3.377 N/A ARG 112.A N GLU 108.A O no hydrogen 2.903 N/A ARG 113.A N LEU 109.A O no hydrogen 2.794 N/A ARG 113.A NH1 SER 81.A OG no hydrogen 3.253 N/A LEU 114.A N ASN 110.A O no hydrogen 2.805 N/A ASP 115.A N SER 111.A O no hydrogen 2.800 N/A LEU 116.A N ARG 112.A O no hydrogen 3.089 N/A ASN 117.A N ARG 113.A O no hydrogen 3.178 N/A ASN 117.A ND2 ARG 113.A O no hydrogen 3.236 N/A LEU 118.A N LEU 114.A O no hydrogen 2.973 N/A ASN 119.A N ASP 115.A O no hydrogen 2.759 N/A LEU 120.A N LEU 116.A O no hydrogen 2.804 N/A ILE 121.A N ASN 117.A O no hydrogen 3.039 N/A LYS 122.A N LEU 118.A O no hydrogen 2.678 N/A LYS 123.A N ASN 119.A O no hydrogen 2.746 N/A THR 124.A N LEU 120.A O no hydrogen 3.080 N/A THR 124.A OG1 LEU 120.A O no hydrogen 2.973 N/A ILE 125.A N ILE 121.A O no hydrogen 3.280 N/A TYR 126.A N LYS 122.A O no hydrogen 2.709 N/A LYS 127.A N LYS 123.A O no hydrogen 3.119 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.752 N/A LEU 128.A N THR 124.A O no hydrogen 3.246 N/A VAL 129.A N ILE 125.A O no hydrogen 2.955 N/A ASN 130.A N TYR 126.A O no hydrogen 2.890 N/A ASP 131.A N LYS 127.A O no hydrogen 2.810 N/A GLN 132.A N LEU 128.A O no hydrogen 2.833 N/A GLN 132.A NE2 GLN 132.A O no hydrogen 2.992 N/A GLN 132.A NE2 ASP 144.A O no hydrogen 3.347 N/A LEU 133.A N VAL 129.A O no hydrogen 2.944 N/A GLN 134.A N ASN 130.A O no hydrogen 2.883 N/A GLN 134.A NE2 ASP 138.A OD1 no hydrogen 3.549 N/A GLN 134.A NE2 ASP 138.A OD2 no hydrogen 2.920 N/A GLU 135.A N ASP 131.A O no hydrogen 2.820 N/A LEU 136.A N GLN 132.A O no hydrogen 2.862 N/A LYS 137.A N LEU 133.A O no hydrogen 2.849 N/A ASP 138.A N GLN 134.A O no hydrogen 2.932 N/A ASN 139.A N GLU 135.A O no hydrogen 2.914 N/A ASN 139.A N LEU 136.A O no hydrogen 3.161 N/A THR 142.A N ASN 139.A O no hydrogen 3.341 N/A ASP 144.A N GLU 135.A OE2 no hydrogen 2.842 N/A ASP 146.A N ASP 144.A OD1 no hydrogen 2.881 N/A THR 148.A N GLN 132.A OE1 no hydrogen 3.048 N/A THR 148.A OG1 GLN 132.A OE1 no hydrogen 2.503 N/A ILE 149.A N TRP 145.A O no hydrogen 3.043 N/A SER 150.A N ASP 146.A O no hydrogen 2.839 N/A SER 150.A OG ASP 146.A OD2 no hydrogen 3.525 N/A SER 151.A N ILE 147.A O no hydrogen 3.027 N/A LEU 152.A N ILE 147.A O no hydrogen 2.809 N/A LEU 153.A N THR 148.A O no hydrogen 3.074 N/A TYR 155.A N SER 151.A O no hydrogen 3.125 N/A LEU 156.A N LEU 152.A O no hydrogen 2.973 N/A LYS 157.A N LEU 153.A O no hydrogen 2.877 N/A LYS 157.A NZ SER 211.A OG no hydrogen 3.262 N/A LYS 158.A N PRO 154.A O no hydrogen 2.699 N/A THR 159.A N TYR 155.A O no hydrogen 2.901 N/A ALA 160.A N TYR 155.A O no hydrogen 2.859 N/A LEU 161.A N LEU 156.A O no hydrogen 3.131 N/A THR 163.A N THR 159.A O no hydrogen 3.026 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.574 N/A LEU 164.A N ALA 160.A O no hydrogen 2.816 N/A TYR 165.A N LEU 161.A O no hydrogen 2.777 N/A LYS 166.A N PRO 162.A O no hydrogen 3.447 N/A LYS 166.A NZ ASP 86.A OD2 no hydrogen 3.163 N/A LEU 167.A N LEU 164.A O no hydrogen 3.100 N/A GLU 168.A N TYR 165.A O no hydrogen 2.987 N/A THR 171.A N ASP 169.A OD1 no hydrogen 3.242 N/A ILE 172.A N ASP 169.A O no hydrogen 2.879 N/A VAL 174.A N ASN 170.A O no hydrogen 3.134 N/A ALA 175.A N THR 171.A O no hydrogen 3.007 N/A LEU 176.A N ILE 172.A O no hydrogen 3.020 N/A ILE 177.A N LEU 173.A O no hydrogen 3.006 N/A ARG 178.A N VAL 174.A O no hydrogen 2.931 N/A ARG 178.A NH1 ASP 183.A OD1 no hydrogen 3.496 N/A ARG 178.A NH1 ASP 183.A OD2 no hydrogen 3.152 N/A ARG 178.A NH2 ASP 183.A OD2 no hydrogen 2.880 N/A TYR 179.A N ALA 175.A O no hydrogen 2.930 N/A ILE 180.A N LEU 176.A O no hydrogen 2.920 N/A VAL 181.A N ILE 177.A O no hydrogen 2.978 N/A HIS 182.A N ARG 178.A O no hydrogen 3.020 N/A VAL 185.A N ILE 180.A O no hydrogen 2.917 N/A ILE 186.A N VAL 181.A O no hydrogen 3.026 N/A ASP 187.A N HIS 182.A O no hydrogen 3.043 N/A ASN 188.A N LEU 184.A O no hydrogen 2.967 N/A ILE 189.A N VAL 185.A O no hydrogen 2.949 N/A LEU 190.A N ILE 186.A O no hydrogen 3.009 N/A HIS 191.A N ASN 188.A O no hydrogen 3.029 N/A HIS 191.A ND1 ASP 187.A O no hydrogen 2.800 N/A TRP 192.A N ILE 189.A O no hydrogen 3.099 N/A ILE 195.A N LEU 267.A O no hydrogen 2.914 N/A SER 196.A OG GLU 140.A OE2 no hydrogen 2.878 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.908 N/A LYS 198.A NZ GLU 140.A O no hydrogen 2.998 N/A SER 199.A N SER 196.A OG no hydrogen 2.963 N/A SER 199.A OG SER 196.A OG no hydrogen 3.360 N/A SER 200.A N SER 196.A O no hydrogen 2.717 N/A SER 200.A OG GLU 197.A O no hydrogen 2.572 N/A SER 200.A OG LEU 238.A O no hydrogen 2.914 N/A GLU 201.A N GLU 197.A O no hydrogen 3.139 N/A ASN 202.A N LYS 198.A O no hydrogen 2.928 N/A ASN 202.A ND2 GLU 140.A O no hydrogen 2.858 N/A LEU 203.A N SER 199.A O no hydrogen 2.638 N/A SER 204.A N SER 200.A O no hydrogen 2.938 N/A SER 204.A OG SER 235.A OG no hydrogen 3.212 N/A GLU 205.A N GLU 201.A O no hydrogen 2.912 N/A PHE 206.A N ASN 202.A O no hydrogen 2.849 N/A ILE 207.A N LEU 203.A O no hydrogen 2.976 N/A LEU 209.A N PHE 206.A O no hydrogen 2.820 N/A LEU 210.A N ILE 207.A O no hydrogen 2.764 N/A GLY 212.A N LEU 208.A O no hydrogen 3.332 N/A GLY 212.A N LEU 209.A O no hydrogen 2.825 N/A LEU 213.A N LEU 210.A O no hydrogen 3.037 N/A ILE 215.A N TYR 224.A OH no hydrogen 2.695 N/A LEU 218.A N ILE 215.A O no hydrogen 2.806 N/A ASN 219.A N PRO 216.A O no hydrogen 2.832 N/A ILE 221.A N LEU 218.A O no hydrogen 2.906 N/A TYR 224.A OH LEU 213.A O no hydrogen 3.360 N/A ARG 225.A N ILE 221.A O no hydrogen 3.270 N/A ARG 225.A NH1 ASN 219.A O no hydrogen 2.486 N/A HIS 226.A N GLU 222.A O no hydrogen 2.977 N/A SER 227.A N THR 223.A O no hydrogen 3.247 N/A SER 227.A OG THR 223.A O no hydrogen 2.912 N/A ARG 228.A N TYR 224.A O no hydrogen 3.342 N/A ARG 228.A NE LEU 213.A O no hydrogen 3.517 N/A ARG 228.A NH2 LEU 210.A O no hydrogen 3.130 N/A GLU 229.A N ARG 225.A O no hydrogen 2.899 N/A LYS 230.A N HIS 226.A O no hydrogen 2.936 N/A LYS 230.A NZ GLU 260.A OE1 no hydrogen 2.577 N/A LEU 231.A N SER 227.A O no hydrogen 3.317 N/A GLY 232.A N ARG 228.A O no hydrogen 2.868 N/A ILE 233.A N GLU 229.A O no hydrogen 2.772 N/A LEU 234.A N LYS 230.A O no hydrogen 2.672 N/A SER 235.A N LEU 231.A O no hydrogen 2.856 N/A SER 235.A OG SER 204.A OG no hydrogen 3.212 N/A LYS 236.A N GLY 232.A O no hydrogen 3.253 N/A LYS 236.A NZ GLU 252.A OE1 no hydrogen 2.734 N/A ILE 237.A N ILE 233.A O no hydrogen 2.942 N/A LEU 238.A N LEU 234.A O no hydrogen 2.908 N/A THR 239.A N LYS 236.A O no hydrogen 3.238 N/A THR 239.A OG1 SER 235.A O no hydrogen 3.401 N/A ALA 240.A N ILE 237.A O no hydrogen 3.168 N/A ASP 244.A N HIS 241.A ND1 no hydrogen 3.266 N/A ILE 245.A N HIS 241.A O no hydrogen 3.200 N/A ILE 245.A N LEU 242.A O no hydrogen 3.219 N/A LEU 246.A N LEU 242.A O no hydrogen 3.314 N/A GLU 247.A N LYS 243.A O no hydrogen 3.054 N/A TYR 249.A N LEU 246.A O no hydrogen 2.847 N/A TYR 249.A OH GLU 281.A OE2 no hydrogen 2.128 N/A GLU 250.A N GLU 247.A O no hydrogen 2.887 N/A GLY 251.A N PHE 248.A O no hydrogen 2.768 N/A PHE 254.A N GLY 251.A O no hydrogen 2.933 N/A PHE 256.A N PHE 253.A O no hydrogen 2.812 N/A ILE 261.A N GLU 257.A O no hydrogen 3.191 N/A VAL 262.A N THR 258.A O no hydrogen 3.234 N/A GLN 263.A N ASP 259.A O no hydrogen 2.931 N/A TRP 264.A N GLU 260.A O no hydrogen 3.016 N/A TRP 264.A NE1 GLU 260.A OE2 no hydrogen 2.817 N/A ILE 265.A N ILE 261.A O no hydrogen 3.175 N/A ILE 266.A N VAL 262.A O no hydrogen 2.947 N/A LEU 267.A N GLN 263.A O no hydrogen 3.023 N/A LEU 268.A N TRP 264.A O no hydrogen 3.045 N/A LEU 268.A N ILE 265.A O no hydrogen 3.365 N/A PHE 269.A N ILE 265.A O no hydrogen 3.140 N/A ARG 275.A N THR 272.A OG1 no hydrogen 3.045 N/A ARG 275.A NH1 PHE 269.A O no hydrogen 3.022 N/A ARG 275.A NH2 ASP 271.A OD1 no hydrogen 3.477 N/A ARG 276.A N THR 272.A O no hydrogen 3.010 N/A ASP 277.A N PRO 273.A O no hydrogen 2.979 N/A CYS 278.A N THR 274.A O no hydrogen 3.071 N/A ILE 279.A N ARG 275.A O no hydrogen 2.845 N/A ASP 280.A N ARG 276.A O no hydrogen 2.790 N/A GLU 281.A N ASP 277.A O no hydrogen 2.842 N/A ILE 282.A N CYS 278.A O no hydrogen 3.103 N/A ARG 283.A N ILE 279.A O no hydrogen 3.138 N/A ARG 284.A N ASP 280.A O no hydrogen 3.043 N/A ARG 284.A N GLU 281.A O no hydrogen 3.039 N/A ARG 284.A NE GLU 288.A OE2 no hydrogen 3.423 N/A VAL 285.A N GLU 281.A O no hydrogen 2.970 N/A ARG 286.A N ILE 282.A O no hydrogen 3.303 N/A ARG 286.A NH1 PHE 253.A O no hydrogen 2.986 N/A ARG 286.A NH1 PHE 256.A O no hydrogen 3.139 N/A ARG 286.A NH2 PHE 256.A O no hydrogen 2.890 N/A ARG 286.A NH2 THR 258.A OG1 no hydrogen 2.925 N/A GLU 287.A N ARG 283.A O no hydrogen 3.146 N/A GLU 288.A N ARG 284.A O no hydrogen 2.978 N/A ALA 289.A N VAL 285.A O no hydrogen 2.996 N/A