Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cx6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N PRO 171.A O no hydrogen 3.184 N/A LYS 4.A N THR 195.A OG1 no hydrogen 3.256 N/A LYS 4.A NZ CYS 190.A O no hydrogen 3.378 N/A LYS 4.A NZ ASP 192.A O no hydrogen 3.102 N/A ILE 5.A N LYS 173.A O no hydrogen 2.896 N/A LEU 6.A N SER 196.A O no hydrogen 2.968 N/A LEU 7.A N VAL 175.A O no hydrogen 2.883 N/A LEU 8.A N LEU 198.A O no hydrogen 3.047 N/A SER 13.A OG ALA 10.A O no hydrogen 2.781 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.003 N/A LYS 15.A NZ ALA 10.A O no hydrogen 3.072 N/A SER 16.A OG THR 157.A OG1 no hydrogen 2.501 N/A SER 16.A OG ASP 176.A OD2 no hydrogen 3.113 N/A PHE 18.A N GLY 14.A O no hydrogen 2.988 N/A LEU 19.A N LYS 15.A O no hydrogen 3.083 N/A LYS 20.A N SER 16.A O no hydrogen 3.173 N/A LYS 20.A NZ ILE 150.A O no hydrogen 2.912 N/A LYS 20.A NZ ALA 153.A O no hydrogen 3.317 N/A GLN 21.A N THR 17.A O no hydrogen 3.030 N/A GLN 21.A NE2 ALA 300.A O no hydrogen 2.798 N/A MET 22.A N PHE 18.A O no hydrogen 3.029 N/A ARG 23.A N LEU 19.A O no hydrogen 3.352 N/A ARG 23.A NE ASP 29.A O no hydrogen 2.903 N/A ARG 23.A NH2 ASP 29.A O no hydrogen 3.377 N/A ILE 24.A N LYS 20.A O no hydrogen 3.045 N/A ILE 25.A N GLN 21.A O no hydrogen 2.647 N/A HIS 26.A N MET 22.A O no hydrogen 2.686 N/A GLY 27.A N MET 22.A O no hydrogen 3.124 N/A GLY 27.A N ARG 23.A O no hydrogen 3.055 N/A GLN 28.A N GLN 28.A OE1 no hydrogen 2.382 N/A ASP 29.A N ARG 23.A O no hydrogen 2.944 N/A PHE 30.A N ASP 29.A OD1 no hydrogen 2.487 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.409 N/A ALA 34.A N ASP 31.A OD1 no hydrogen 2.921 N/A ARG 35.A N ASP 31.A O no hydrogen 2.910 N/A ARG 35.A NE PRO 145.A O no hydrogen 2.703 N/A ARG 35.A NH1 PHE 30.A O no hydrogen 3.193 N/A GLU 36.A N GLN 32.A O no hydrogen 2.931 N/A PHE 38.A N ARG 35.A O no hydrogen 2.989 N/A ARG 39.A N GLU 36.A O no hydrogen 3.387 N/A ARG 39.A NE TYR 143.A O no hydrogen 2.894 N/A ARG 39.A NH2 TYR 143.A O no hydrogen 2.848 N/A ILE 42.A N PHE 38.A O no hydrogen 2.817 N/A TYR 43.A N ARG 39.A O no hydrogen 2.817 N/A TYR 43.A OH LEU 138.A O no hydrogen 2.598 N/A SER 44.A N PRO 40.A O no hydrogen 3.175 N/A ASN 45.A N THR 41.A O no hydrogen 2.899 N/A ASN 45.A ND2 ARG 154.A O no hydrogen 3.244 N/A VAL 46.A N ILE 42.A O no hydrogen 3.162 N/A ILE 47.A N TYR 43.A O no hydrogen 3.142 N/A LYS 48.A N SER 44.A O no hydrogen 3.016 N/A LYS 48.A NZ ALA 86.A O no hydrogen 2.956 N/A GLY 49.A N ASN 45.A O no hydrogen 2.797 N/A MET 50.A N VAL 46.A O no hydrogen 3.000 N/A ARG 51.A N ILE 47.A O no hydrogen 3.064 N/A VAL 52.A N LYS 48.A O no hydrogen 3.186 N/A LEU 53.A N GLY 49.A O no hydrogen 3.108 N/A VAL 54.A N MET 50.A O no hydrogen 2.985 N/A ASP 55.A N ARG 51.A O no hydrogen 3.059 N/A ALA 56.A N VAL 52.A O no hydrogen 2.948 N/A ARG 57.A N LEU 53.A O no hydrogen 2.968 N/A GLU 58.A N VAL 54.A O no hydrogen 3.184 N/A LYS 59.A N ASP 55.A O no hydrogen 3.065 N/A LEU 60.A N ALA 56.A O no hydrogen 2.905 N/A HIS 61.A N GLU 58.A O no hydrogen 2.771 N/A GLY 65.A N ASP 109.A OD1 no hydrogen 2.908 N/A GLY 65.A N ASP 109.A OD2 no hydrogen 3.059 N/A LYS 68.A N ASP 66.A OD1 no hydrogen 2.955 N/A LYS 68.A NZ ASN 69.A OD1 no hydrogen 2.838 N/A ASN 69.A N ASP 66.A O no hydrogen 2.854 N/A ASN 69.A ND2 ASP 109.A OD1 no hydrogen 2.786 N/A GLN 70.A N ASN 67.A O no hydrogen 2.767 N/A GLY 73.A N ASN 69.A O no hydrogen 2.964 N/A ASP 74.A N GLN 70.A O no hydrogen 2.963 N/A LYS 75.A N LEU 71.A O no hydrogen 3.096 N/A LEU 76.A N HIS 72.A O no hydrogen 3.120 N/A MET 77.A N GLY 73.A O no hydrogen 3.071 N/A ALA 78.A N ASP 74.A O no hydrogen 3.069 N/A ALA 78.A N LYS 75.A O no hydrogen 3.217 N/A PHE 79.A N LEU 76.A O no hydrogen 2.905 N/A ARG 82.A N ASP 80.A OD1 no hydrogen 2.985 N/A ALA 87.A N ALA 83.A O no hydrogen 2.637 N/A GLN 88.A N PRO 84.A O no hydrogen 3.393 N/A GLN 88.A N MET 85.A O no hydrogen 3.250 N/A GLY 89.A N ALA 86.A O no hydrogen 2.963 N/A MET 90.A N MET 85.A O no hydrogen 3.012 N/A VAL 91.A N PRO 40.A O no hydrogen 3.121 N/A PHE 96.A N GLU 92.A O no hydrogen 3.194 N/A LEU 97.A N THR 93.A O no hydrogen 3.063 N/A GLN 98.A N VAL 95.A O no hydrogen 3.076 N/A TYR 99.A N PHE 96.A O no hydrogen 2.942 N/A ILE 103.A N TYR 99.A O no hydrogen 2.917 N/A ARG 104.A N LEU 100.A O no hydrogen 2.870 N/A ALA 105.A N PRO 101.A O no hydrogen 3.160 N/A LEU 106.A N ALA 102.A O no hydrogen 2.923 N/A TRP 107.A N ILE 103.A O no hydrogen 3.012 N/A TRP 107.A NE1 ASP 133.A OD1 no hydrogen 3.039 N/A GLU 108.A N ALA 105.A O no hydrogen 3.021 N/A ASP 109.A N LEU 106.A O no hydrogen 3.361 N/A GLY 111.A N ASP 109.A OD2 no hydrogen 2.598 N/A ILE 112.A N ASP 109.A OD2 no hydrogen 3.080 N/A GLN 113.A N ASP 109.A O no hydrogen 3.115 N/A GLN 113.A NE2 TRP 107.A O no hydrogen 2.843 N/A ASN 114.A N SER 110.A O no hydrogen 2.946 N/A ALA 115.A N GLY 111.A O no hydrogen 2.978 N/A TYR 116.A N ILE 112.A O no hydrogen 3.077 N/A ASP 117.A N GLN 113.A O no hydrogen 3.045 N/A ARG 118.A N ALA 115.A O no hydrogen 3.073 N/A ARG 118.A NE GLU 121.A OE1 no hydrogen 2.609 N/A ARG 118.A NH2 GLU 121.A OE2 no hydrogen 2.552 N/A ARG 119.A N TYR 116.A O no hydrogen 2.885 N/A ARG 119.A NE GLU 126.A OE1 no hydrogen 3.255 N/A ARG 119.A NH1 TYR 116.A O no hydrogen 3.102 N/A ARG 120.A NE ASP 207.A OD2 no hydrogen 2.997 N/A ARG 120.A NH2 ASP 207.A OD2 no hydrogen 3.333 N/A GLU 121.A N ARG 118.A O no hydrogen 2.876 N/A PHE 122.A N ARG 119.A O no hydrogen 2.723 N/A GLN 123.A NE2 VAL 209.A O no hydrogen 3.385 N/A VAL 128.A N GLY 125.A O no hydrogen 3.125 N/A LYS 129.A NZ ASP 133.A OD2 no hydrogen 3.052 N/A TYR 130.A OH ASP 149.A OD1 no hydrogen 2.545 N/A PHE 131.A N SER 127.A O no hydrogen 3.338 N/A LEU 132.A N VAL 128.A O no hydrogen 2.801 N/A ASP 133.A N LYS 129.A O no hydrogen 2.844 N/A ASN 134.A N PHE 131.A O no hydrogen 2.957 N/A ASN 134.A ND2 TYR 130.A O no hydrogen 3.080 N/A LEU 135.A N LEU 132.A O no hydrogen 3.468 N/A LYS 137.A NZ ASP 149.A OD1 no hydrogen 3.071 N/A LYS 137.A NZ ASP 149.A OD2 no hydrogen 3.157 N/A LEU 138.A N ASN 134.A O no hydrogen 3.268 N/A GLY 139.A N LEU 135.A O no hydrogen 2.836 N/A TYR 143.A N VAL 140.A O no hydrogen 3.216 N/A TYR 143.A OH ASP 149.A OD2 no hydrogen 2.750 N/A SER 146.A N ASP 149.A OD2 no hydrogen 3.066 N/A GLN 148.A NE2 ILE 301.A O no hydrogen 3.596 N/A ASP 149.A N SER 146.A OG no hydrogen 3.030 N/A ILE 150.A N SER 146.A O no hydrogen 2.974 N/A LEU 151.A N GLN 147.A O no hydrogen 2.970 N/A LEU 152.A N GLN 148.A O no hydrogen 3.192 N/A ALA 153.A N ASP 149.A O no hydrogen 2.818 N/A ARG 154.A N ASN 45.A OD1 no hydrogen 2.864 N/A ARG 155.A NH1 GLU 37.A O no hydrogen 3.487 N/A ARG 155.A NH1 THR 41.A OG1 no hydrogen 2.896 N/A THR 157.A OG1 SER 16.A OG no hydrogen 2.501 N/A LYS 158.A NZ GLU 183.A OE1 no hydrogen 2.996 N/A HIS 161.A N ASP 176.A O no hydrogen 2.997 N/A TYR 163.A N MET 174.A O no hydrogen 2.798 N/A TYR 163.A OH GLN 28.A OE1 no hydrogen 2.500 N/A PHE 165.A N PHE 172.A O no hydrogen 3.004 N/A ILE 167.A N VAL 170.A O no hydrogen 3.323 N/A VAL 170.A N ILE 167.A O no hydrogen 3.005 N/A PHE 172.A N PHE 165.A O no hydrogen 2.765 N/A LYS 173.A N VAL 3.A O no hydrogen 2.926 N/A MET 174.A N TYR 163.A O no hydrogen 2.835 N/A VAL 175.A N ILE 5.A O no hydrogen 2.868 N/A ASP 176.A N HIS 161.A O no hydrogen 2.811 N/A LEU 180.A N GLU 183.A OE2 no hydrogen 3.190 N/A ARG 181.A N GLU 212.A OE1 no hydrogen 2.786 N/A ARG 181.A NE GLU 221.A OE2 no hydrogen 3.136 N/A ARG 181.A NH2 GLU 221.A OE1 no hydrogen 2.985 N/A GLU 183.A N LEU 180.A O no hydrogen 2.794 N/A ARG 184.A N LEU 180.A O no hydrogen 3.206 N/A ARG 184.A NE GLY 179.A O no hydrogen 2.917 N/A ARG 184.A NH1 GLU 221.A OE2 no hydrogen 2.740 N/A ARG 184.A NH2 GLY 179.A O no hydrogen 2.809 N/A ARG 184.A NH2 GLU 221.A OE2 no hydrogen 3.389 N/A ARG 186.A N GLU 183.A O no hydrogen 3.071 N/A TRP 187.A N ARG 184.A O no hydrogen 2.854 N/A TRP 187.A NE1 GLY 178.A O no hydrogen 2.832 N/A GLU 189.A N ARG 186.A O no hydrogen 3.028 N/A CYS 190.A N TRP 187.A O no hydrogen 3.431 N/A THR 195.A N LYS 4.A O no hydrogen 2.887 N/A SER 196.A N LYS 4.A O no hydrogen 3.293 N/A SER 196.A OG SER 239.A O no hydrogen 3.141 N/A ILE 197.A N SER 239.A O no hydrogen 2.608 N/A LEU 198.A N LEU 6.A O no hydrogen 2.799 N/A PHE 199.A N ILE 241.A O no hydrogen 2.661 N/A LEU 200.A N LEU 8.A O no hydrogen 2.901 N/A VAL 201.A N PHE 243.A O no hydrogen 2.885 N/A SER 203.A N ASN 245.A O no hydrogen 2.934 N/A SER 203.A OG ASN 245.A O no hydrogen 2.677 N/A GLU 205.A N SER 202.A O no hydrogen 3.175 N/A GLN 208.A N GLU 205.A O no hydrogen 3.130 N/A GLN 208.A NE2 SER 204.A O no hydrogen 3.637 N/A LEU 210.A N THR 216.A O no hydrogen 2.674 N/A GLU 212.A N GLU 212.A OE2 no hydrogen 2.687 N/A GLN 215.A N ASP 213.A O no hydrogen 2.600 N/A GLN 215.A N ASP 213.A OD1 no hydrogen 2.664 N/A THR 216.A N ASP 213.A O no hydrogen 3.416 N/A THR 216.A OG1 ASP 213.A OD1 no hydrogen 3.394 N/A THR 216.A OG1 ASP 213.A OD2 no hydrogen 2.735 N/A ASN 217.A ND2 PHE 206.A O no hydrogen 2.957 N/A ARG 218.A N GLN 208.A O no hydrogen 2.951 N/A ARG 218.A NE VAL 209.A O no hydrogen 2.971 N/A ARG 218.A NH1 GLU 12.A OE2 no hydrogen 2.842 N/A ARG 218.A NH2 GLU 12.A OE2 no hydrogen 3.073 N/A ARG 218.A NH2 GLN 123.A OE1 no hydrogen 2.747 N/A THR 220.A N ASN 217.A OD1 no hydrogen 3.138 N/A THR 220.A OG1 ASN 217.A OD1 no hydrogen 3.460 N/A GLU 221.A N ASN 217.A O no hydrogen 3.071 N/A SER 222.A N ARG 218.A O no hydrogen 2.982 N/A SER 222.A OG GLU 205.A OE2 no hydrogen 2.681 N/A SER 222.A OG ARG 218.A O no hydrogen 3.335 N/A LEU 223.A N LEU 219.A O no hydrogen 2.844 N/A ASN 224.A N THR 220.A O no hydrogen 2.984 N/A ILE 225.A N GLU 221.A O no hydrogen 2.862 N/A PHE 226.A N SER 222.A O no hydrogen 2.798 N/A GLU 227.A N LEU 223.A O no hydrogen 2.905 N/A THR 228.A N ASN 224.A O no hydrogen 3.328 N/A ILE 229.A N ILE 225.A O no hydrogen 3.213 N/A VAL 230.A N PHE 226.A O no hydrogen 2.741 N/A ASN 231.A N GLU 227.A O no hydrogen 3.259 N/A ASN 231.A ND2 GLU 227.A O no hydrogen 2.993 N/A ASN 231.A ND2 GLU 227.A OE2 no hydrogen 3.036 N/A ASN 231.A ND2 LYS 287.A O no hydrogen 3.023 N/A ASN 232.A N ILE 229.A O no hydrogen 3.246 N/A VAL 234.A N ASN 232.A OD1 no hydrogen 2.970 N/A PHE 235.A N ASN 232.A O no hydrogen 2.984 N/A SER 236.A N ARG 233.A O no hydrogen 2.779 N/A SER 236.A OG ARG 233.A O no hydrogen 2.902 N/A VAL 238.A N PHE 235.A O no hydrogen 3.055 N/A SER 239.A N THR 195.A O no hydrogen 3.270 N/A SER 239.A OG ASP 320.A OD1 no hydrogen 3.142 N/A ILE 241.A N ILE 197.A O no hydrogen 2.742 N/A LEU 242.A N TYR 294.A O no hydrogen 3.072 N/A PHE 243.A N PHE 199.A O no hydrogen 2.772 N/A LEU 244.A N HIS 296.A O no hydrogen 2.730 N/A ASN 245.A N VAL 201.A O no hydrogen 2.701 N/A ASN 245.A ND2 SER 13.A O no hydrogen 2.931 N/A LYS 246.A NZ GLU 12.A O no hydrogen 3.051 N/A THR 247.A N THR 298.A O no hydrogen 2.988 N/A THR 247.A OG1 LEU 244.A O no hydrogen 3.241 N/A THR 247.A OG1 THR 298.A O no hydrogen 2.759 N/A LEU 249.A N LYS 246.A O no hydrogen 3.185 N/A LEU 250.A N LYS 246.A O no hydrogen 3.110 N/A GLU 251.A N THR 247.A O no hydrogen 2.986 N/A GLU 252.A N LEU 249.A O no hydrogen 3.046 N/A LYS 253.A N LEU 249.A O no hydrogen 2.867 N/A LYS 253.A NZ SER 204.A O no hydrogen 2.884 N/A LYS 253.A NZ ASP 207.A OD1 no hydrogen 2.687 N/A LYS 253.A NZ ASP 207.A OD2 no hydrogen 3.208 N/A VAL 254.A N LEU 250.A O no hydrogen 2.923 N/A GLN 255.A N GLU 252.A O no hydrogen 3.258 N/A VAL 256.A N LYS 253.A O no hydrogen 2.898 N/A VAL 257.A N LYS 253.A O no hydrogen 2.961 N/A LYS 260.A N SER 258.A OG no hydrogen 3.144 N/A LYS 260.A NZ LEU 264.A O no hydrogen 3.398 N/A ASP 261.A N SER 258.A O no hydrogen 2.983 N/A TYR 262.A N ILE 259.A O no hydrogen 2.870 N/A PHE 263.A N ILE 259.A O no hydrogen 2.832 N/A PHE 266.A N PHE 263.A O no hydrogen 3.110 N/A ASP 269.A N ASP 275.A OD2 no hydrogen 2.772 N/A HIS 271.A N ASP 269.A OD2 no hydrogen 3.212 N/A CYS 272.A N ASP 269.A O no hydrogen 2.939 N/A VAL 276.A N CYS 272.A O no hydrogen 3.206 N/A GLN 277.A N LEU 273.A O no hydrogen 2.886 N/A LYS 278.A N ARG 274.A O no hydrogen 3.185 N/A PHE 279.A N ASP 275.A O no hydrogen 3.295 N/A LEU 280.A N VAL 276.A O no hydrogen 3.013 N/A VAL 281.A N GLN 277.A O no hydrogen 3.006 N/A GLU 282.A N LYS 278.A O no hydrogen 2.831 N/A CYS 283.A N PHE 279.A O no hydrogen 2.892 N/A CYS 283.A SG PHE 279.A O no hydrogen 3.267 N/A PHE 284.A N LEU 280.A O no hydrogen 3.139 N/A ARG 285.A N VAL 281.A O no hydrogen 2.996 N/A ARG 285.A NH2 LEU 293.A O no hydrogen 3.223 N/A ARG 285.A NH2 HIS 295.A ND1 no hydrogen 3.483 N/A GLY 286.A N GLU 282.A O no hydrogen 2.658 N/A LYS 287.A N PHE 284.A O no hydrogen 3.225 N/A ARG 288.A N ARG 285.A O no hydrogen 2.882 N/A ARG 289.A NH2 GLU 227.A OE2 no hydrogen 3.482 N/A ARG 291.A NE VAL 238.A O no hydrogen 3.466 N/A ARG 291.A NH2 VAL 238.A O no hydrogen 3.056 N/A HIS 296.A N LEU 242.A O no hydrogen 2.832 N/A THR 298.A N LEU 244.A O no hydrogen 3.025 N/A THR 298.A OG1 ASN 245.A OD1 no hydrogen 2.827 N/A THR 299.A N ASN 305.A OD1 no hydrogen 3.102 N/A ALA 300.A N ASN 245.A OD1 no hydrogen 2.723 N/A ASN 302.A N THR 299.A O no hydrogen 2.733 N/A THR 303.A OG1 GLN 21.A OE1 no hydrogen 2.882 N/A ASN 305.A N ASN 302.A OD1 no hydrogen 2.951 N/A ILE 306.A N ASN 302.A O no hydrogen 3.050 N/A ARG 307.A N THR 303.A O no hydrogen 2.875 N/A ARG 307.A NE GLU 304.A OE2 no hydrogen 3.286 N/A ARG 307.A NH2 GLU 304.A OE2 no hydrogen 3.240 N/A LEU 308.A N GLU 304.A O no hydrogen 3.371 N/A VAL 309.A N ASN 305.A O no hydrogen 3.104 N/A PHE 310.A N ILE 306.A O no hydrogen 3.056 N/A ASP 312.A N LEU 308.A O no hydrogen 3.365 N/A VAL 313.A N VAL 309.A O no hydrogen 3.001 N/A LYS 314.A N PHE 310.A O no hydrogen 2.721 N/A ASP 315.A N ARG 311.A O no hydrogen 3.187 N/A THR 316.A N ASP 312.A O no hydrogen 2.880 N/A THR 316.A OG1 ASP 312.A O no hydrogen 2.951 N/A ILE 317.A N VAL 313.A O no hydrogen 2.874 N/A LEU 318.A N LYS 314.A O no hydrogen 2.709 N/A HIS 319.A N THR 316.A O no hydrogen 3.053 N/A ASP 320.A N ILE 317.A O no hydrogen 3.075 N/A