Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3v1x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 219.A OH no hydrogen 2.973 N/A LEU 7.A N VAL 4.A O no hydrogen 3.144 N/A TYR 8.A N ASN 258.A OD1 no hydrogen 2.931 N/A TYR 8.A OH GLU 265.A OE1 no hydrogen 2.697 N/A HIS 9.A ND1 LEU 7.A O no hydrogen 2.794 N/A HIS 10.A NE2 GLU 265.A OE2 no hydrogen 2.710 N/A VAL 18.A N ASP 16.A OD1 no hydrogen 2.929 N/A ARG 19.A NH1 ALA 56.A O no hydrogen 2.795 N/A ARG 19.A NH2 ALA 56.A O no hydrogen 3.102 N/A VAL 20.A N ASP 16.A O no hydrogen 2.881 N/A GLU 21.A N PRO 17.A O no hydrogen 2.938 N/A GLU 22.A N VAL 18.A O no hydrogen 3.031 N/A VAL 23.A N ARG 19.A O no hydrogen 2.863 N/A SER 24.A N VAL 20.A O no hydrogen 2.821 N/A SER 24.A OG.B VAL 20.A O no hydrogen 2.835 N/A ARG 25.A N GLU 21.A O no hydrogen 3.144 N/A ARG 25.A NH1 GLU 22.A OE1 no hydrogen 2.767 N/A ARG 26.A N GLU 22.A O no hydrogen 3.080 N/A ARG 26.A NE GLU 22.A OE2 no hydrogen 2.935 N/A ILE 27.A N VAL 23.A O no hydrogen 2.715 N/A LYS 28.A N SER 24.A O no hydrogen 3.046 N/A ARG 29.A N ARG 25.A O no hydrogen 3.058 N/A TRP 30.A N ARG 26.A O no hydrogen 2.956 N/A TRP 30.A NE1 SER 121.A OG no hydrogen 2.673 N/A ALA 31.A N ILE 27.A O no hydrogen 2.965 N/A GLU 32.A N LYS 28.A O no hydrogen 3.035 N/A ASP 33.A N ARG 29.A O no hydrogen 2.658 N/A GLU 34.A N TRP 30.A O no hydrogen 2.849 N/A VAL 35.A N TRP 30.A O no hydrogen 3.000 N/A LEU 37.A N ALA 31.A O no hydrogen 2.797 N/A SER 44.A N ASP 41.A OD1 no hydrogen 2.843 N/A VAL 45.A N ASP 41.A O no hydrogen 3.533 N/A GLY 46.A N GLY 42.A O no hydrogen 2.857 N/A ARG 47.A N PHE 43.A O no hydrogen 2.876 N/A ARG 47.A NH1 GLU 14.A OE2 no hydrogen 2.471 N/A ARG 47.A NH2 GLU 14.A OE1 no hydrogen 3.490 N/A TYR 48.A N SER 44.A O no hydrogen 3.038 N/A TYR 48.A OH ASN 294.A OD1 no hydrogen 2.560 N/A MET 49.A N VAL 45.A O no hydrogen 2.846 N/A VAL 50.A N GLY 46.A O no hydrogen 2.906 N/A GLY 51.A N ARG 47.A O no hydrogen 2.909 N/A CYS 52.A N TYR 48.A O no hydrogen 2.981 N/A CYS 52.A SG TYR 48.A O no hydrogen 3.279 N/A CYS 52.A SG TRP 290.A O no hydrogen 3.577 N/A HIS 53.A N MET 49.A O no hydrogen 2.979 N/A HIS 53.A N VAL 50.A O no hydrogen 3.374 N/A ALA 56.A N HIS 53.A O no hydrogen 3.096 N/A THR 58.A OG1 HIS 61.A ND1 no hydrogen 2.681 N/A HIS 61.A N THR 58.A OG1 no hydrogen 3.026 N/A HIS 61.A ND1 THR 58.A OG1 no hydrogen 2.681 N/A LEU 62.A N THR 58.A O no hydrogen 3.138 N/A MET 63.A N VAL 59.A O no hydrogen 2.772 N/A LEU 64.A N ASP 60.A O no hydrogen 3.294 N/A LEU 64.A N HIS 61.A O no hydrogen 3.086 N/A THR 66.A N LEU 62.A O no hydrogen 3.065 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.700 N/A ARG 67.A N MET 63.A O no hydrogen 3.076 N/A MET 69.A N ALA 65.A O no hydrogen 2.842 N/A VAL 70.A N THR 66.A O no hydrogen 2.910 N/A ALA 71.A N ARG 67.A O no hydrogen 2.854 N/A GLU 72.A N LEU 68.A O no hydrogen 2.862 N/A ASN 73.A N MET 69.A O no hydrogen 3.266 N/A ALA 74.A N VAL 70.A O no hydrogen 3.032 N/A VAL 75.A N ALA 71.A O no hydrogen 3.258 N/A VAL 75.A N GLU 72.A O no hydrogen 3.287 N/A ASP 76.A N GLU 72.A O no hydrogen 3.471 N/A ASP 77.A N ALA 74.A O no hydrogen 3.297 N/A VAL 80.A N SER 78.A OG no hydrogen 2.955 N/A LEU 82.A N PRO 79.A O no hydrogen 3.046 N/A GLY 84.A N GLY 81.A O no hydrogen 3.016 N/A ARG 85.A N GLY 81.A O no hydrogen 3.160 N/A ARG 85.A NH2 SER 78.A O no hydrogen 3.153 N/A LEU 86.A N LEU 82.A O no hydrogen 2.837 N/A LEU 87.A N GLY 83.A O no hydrogen 3.109 N/A LEU 88.A N GLY 84.A O no hydrogen 3.204 N/A ALA 89.A N ARG 85.A O no hydrogen 3.017 N/A HIS 90.A N LEU 86.A O no hydrogen 2.730 N/A HIS 90.A ND1 HIS 146.A ND1 no hydrogen 3.006 N/A THR 91.A N LEU 87.A O no hydrogen 3.192 N/A THR 91.A N LEU 88.A O no hydrogen 3.209 N/A THR 91.A OG1 LEU 88.A O no hydrogen 2.642 N/A ALA 92.A N ALA 89.A O no hydrogen 2.852 N/A ILE 93.A N HIS 90.A O no hydrogen 2.750 N/A ASP 94.A N HIS 90.A O no hydrogen 2.782 N/A TYR 102.A N THR 99.A OG1 no hydrogen 3.252 N/A THR 103.A N THR 99.A O no hydrogen 3.018 N/A THR 103.A OG1 THR 99.A O no hydrogen 2.614 N/A TRP 106.A N TYR 102.A O no hydrogen 3.241 N/A TRP 106.A NE1 THR 91.A OG1 no hydrogen 2.856 N/A GLN 107.A N THR 103.A O no hydrogen 2.818 N/A ALA 108.A N PRO 104.A O no hydrogen 2.930 N/A SER 109.A N THR 105.A O no hydrogen 3.249 N/A SER 109.A OG TRP 106.A O no hydrogen 2.638 N/A LEU 110.A N TRP 106.A O no hydrogen 3.331 N/A LEU 110.A N GLN 107.A O no hydrogen 3.142 N/A ALA 111.A N ALA 108.A O no hydrogen 2.996 N/A ALA 112.A N SER 109.A O no hydrogen 2.984 N/A ARG 116.A N ASP 113.A OD1 no hydrogen 2.986 N/A ARG 116.A NE ASP 113.A OD1 no hydrogen 3.179 N/A ARG 116.A NH2 ASP 113.A OD2 no hydrogen 3.240 N/A ARG 117.A N ASP 113.A O no hydrogen 2.975 N/A ARG 117.A NE VAL 35.A O no hydrogen 2.802 N/A ARG 117.A NH1 ALA 111.A O no hydrogen 2.987 N/A ARG 117.A NH2 GLN 36.A O no hydrogen 2.945 N/A ALA 118.A N ALA 114.A O no hydrogen 2.725 N/A TYR 119.A N PRO 115.A O no hydrogen 2.948 N/A TYR 119.A OH GLU 72.A OE1.A no hydrogen 3.028 N/A ASP 120.A N ARG 116.A O no hydrogen 2.926 N/A SER 121.A N ARG 117.A O no hydrogen 3.089 N/A ALA 122.A N ALA 118.A O no hydrogen 2.796 N/A MET 123.A N TYR 119.A O no hydrogen 2.880 N/A GLY 124.A N ASP 120.A O no hydrogen 2.916 N/A TYR 125.A N SER 121.A O no hydrogen 3.059 N/A TYR 125.A OH GLU 34.A OE2 no hydrogen 2.661 N/A PHE 126.A N ALA 122.A O no hydrogen 3.157 N/A VAL 127.A N MET 123.A O no hydrogen 2.739 N/A ARG 128.A N GLY 124.A O no hydrogen 3.269 N/A ALA 129.A N TYR 125.A O no hydrogen 3.213 N/A ALA 130.A N PHE 126.A O no hydrogen 2.861 N/A THR 131.A N GLN 134.A OE1 no hydrogen 2.858 N/A THR 131.A OG1 GLU 190.A OE2 no hydrogen 2.636 N/A GLN 134.A N THR 131.A OG1 no hydrogen 3.070 N/A GLN 134.A NE2 ASP 184.A OD2 no hydrogen 2.919 N/A GLN 134.A NE2 TYR 189.A O no hydrogen 3.002 N/A SER 135.A N THR 131.A O no hydrogen 2.939 N/A ASP 136.A N PRO 132.A O no hydrogen 2.927 N/A ARG 137.A N SER 133.A O no hydrogen 2.865 N/A ARG 137.A NH1 THR 181.A O no hydrogen 2.796 N/A ARG 137.A NH1 ASP 184.A OD1 no hydrogen 2.928 N/A ARG 137.A NH1 ASP 184.A OD2 no hydrogen 3.522 N/A ARG 137.A NH2 ASP 184.A OD2 no hydrogen 2.871 N/A TYR 138.A N GLN 134.A O no hydrogen 3.098 N/A ARG 139.A N SER 135.A O no hydrogen 3.019 N/A ARG 139.A NE ILE 93.A O no hydrogen 2.869 N/A HIS 140.A N ASP 136.A O no hydrogen 2.995 N/A ASP 141.A N ARG 137.A O no hydrogen 3.060 N/A MET 142.A N TYR 138.A O no hydrogen 2.791 N/A ALA 143.A N ARG 139.A O no hydrogen 2.780 N/A ARG 144.A N HIS 140.A O no hydrogen 2.860 N/A ARG 144.A NH1 ASP 141.A OD1 no hydrogen 2.933 N/A LEU 145.A N ASP 141.A O no hydrogen 2.998 N/A HIS 146.A N MET 142.A O no hydrogen 2.996 N/A HIS 146.A ND1 HIS 90.A ND1 no hydrogen 3.006 N/A LEU 147.A N ALA 143.A O no hydrogen 2.990 N/A GLY 148.A N ARG 144.A O no hydrogen 2.891 N/A TYR 149.A N LEU 145.A O no hydrogen 2.923 N/A TYR 149.A OH GLU 72.A OE2.B no hydrogen 2.470 N/A LEU 150.A N HIS 146.A O no hydrogen 3.048 N/A ALA 151.A N LEU 147.A O no hydrogen 3.057 N/A GLU 152.A N GLY 148.A O no hydrogen 3.055 N/A GLY 153.A N TYR 149.A O no hydrogen 2.841 N/A ALA 154.A N LEU 150.A O no hydrogen 2.900 N/A TRP 155.A N ALA 151.A O no hydrogen 3.001 N/A ALA 156.A N GLU 152.A O no hydrogen 2.972 N/A GLN 157.A N GLY 153.A O no hydrogen 3.050 N/A GLN 157.A N ALA 154.A O no hydrogen 3.246 N/A THR 158.A N TRP 155.A O no hydrogen 3.128 N/A GLY 159.A N ALA 156.A O no hydrogen 3.224 N/A HIS 160.A N TRP 155.A O no hydrogen 2.894 N/A GLU 163.A N GLU 166.A OE1 no hydrogen 3.002 N/A TYR 167.A N GLU 163.A O no hydrogen 2.880 N/A TYR 167.A OH ASP 217.A OD1 no hydrogen 3.236 N/A TYR 167.A OH ASP 217.A OD2 no hydrogen 2.444 N/A LEU 168.A N VAL 164.A O no hydrogen 2.872 N/A ALA 169.A N TRP 165.A O no hydrogen 2.750 N/A MET 170.A N GLU 166.A O no hydrogen 3.046 N/A ARG 171.A N TYR 167.A O no hydrogen 2.835 N/A ARG 171.A NE ASP 217.A OD1 no hydrogen 2.971 N/A ARG 171.A NH1 ASP 217.A OD1 no hydrogen 2.930 N/A ARG 171.A NH2 ASN 174.A O no hydrogen 3.136 N/A GLN 172.A N ALA 169.A O no hydrogen 3.020 N/A PHE 173.A N MET 170.A O no hydrogen 2.938 N/A ASN 174.A N MET 170.A O no hydrogen 2.804 N/A ASN 175.A ND2 ARG 171.A O no hydrogen 2.780 N/A PHE 176.A N THR 213.A OG1 no hydrogen 2.962 N/A ARG 177.A N ASN 175.A OD1 no hydrogen 2.805 N/A ARG 177.A NH2 GLN 202.A OE1 no hydrogen 2.980 N/A CYS 179.A N PHE 176.A O no hydrogen 2.730 N/A CYS 179.A SG GLU 72.A OE2.A no hydrogen 3.914 N/A CYS 179.A SG PHE 176.A O no hydrogen 3.544 N/A THR 181.A N ARG 177.A O no hydrogen 3.234 N/A THR 181.A OG1 ASP 141.A OD2 no hydrogen 3.061 N/A THR 181.A OG1 ARG 177.A O no hydrogen 2.880 N/A THR 181.A OG1 PRO 178.A O no hydrogen 3.419 N/A ILE 182.A N CYS 179.A O no hydrogen 3.343 N/A THR 183.A N PRO 180.A O no hydrogen 3.062 N/A VAL 186.A N ILE 182.A O no hydrogen 2.962 N/A GLY 187.A N THR 183.A O no hydrogen 2.783 N/A GLY 188.A N THR 185.A O no hydrogen 3.312 N/A TYR 189.A N ASP 184.A O no hydrogen 3.013 N/A LEU 191.A N ASP 184.A OD2 no hydrogen 2.874 N/A LEU 195.A N PRO 192.A O no hydrogen 2.951 N/A HIS 196.A N PRO 192.A O no hydrogen 2.956 N/A ALA 197.A N ALA 193.A O no hydrogen 3.023 N/A ARG 198.A N LEU 195.A O no hydrogen 3.263 N/A ARG 198.A NE ASP 200.A OD1 no hydrogen 2.926 N/A ARG 198.A NH2 ASP 200.A OD1 no hydrogen 3.570 N/A ARG 198.A NH2 ASP 200.A OD2 no hydrogen 3.073 N/A MET 201.A N ASP 200.A OD1 no hydrogen 2.916 N/A GLN 202.A N ARG 198.A O no hydrogen 2.978 N/A GLN 202.A NE2 HIS 196.A O no hydrogen 2.933 N/A ARG 203.A N PRO 199.A O no hydrogen 2.882 N/A VAL 204.A N ASP 200.A O no hydrogen 2.917 N/A ILE 205.A N MET 201.A O no hydrogen 2.902 N/A ALA 206.A N GLN 202.A O no hydrogen 3.052 N/A LEU 207.A N ARG 203.A O no hydrogen 3.059 N/A ALA 208.A N VAL 204.A O no hydrogen 3.058 N/A GLY 209.A N ILE 205.A O no hydrogen 2.863 N/A ASN 210.A N ALA 206.A O no hydrogen 2.774 N/A ASN 210.A ND2 GLN 172.A OE1 no hydrogen 2.951 N/A ALA 211.A N LEU 207.A O no hydrogen 2.819 N/A THR 212.A N ALA 208.A O no hydrogen 3.018 N/A THR 213.A N GLY 209.A O no hydrogen 2.812 N/A THR 213.A OG1 GLY 209.A O no hydrogen 2.703 N/A ILE 214.A N ASN 210.A O no hydrogen 3.116 N/A VAL 215.A N ALA 211.A O no hydrogen 3.085 N/A ASN 216.A ND2 HIS 298.A NE2 no hydrogen 3.060 N/A ASP 217.A N THR 213.A O no hydrogen 3.167 N/A LEU 218.A N ILE 214.A O no hydrogen 2.908 N/A TYR 219.A N VAL 215.A O no hydrogen 2.959 N/A TYR 219.A OH HIS 295.A NE2 no hydrogen 2.587 N/A SER 220.A N ASN 216.A O no hydrogen 2.830 N/A SER 220.A OG ASN 216.A O no hydrogen 2.550 N/A SER 220.A OG ASN 216.A OD1 no hydrogen 3.221 N/A SER 220.A OG GLU 224.A OE2 no hydrogen 3.026 N/A TYR 221.A OH GLU 246.A OE1 no hydrogen 2.646 N/A THR 222.A OG1 SER 306.A O no hydrogen 2.905 N/A THR 222.A OG1 SER 306.A OG no hydrogen 3.026 N/A GLU 224.A N SER 220.A O no hydrogen 2.924 N/A LEU 225.A N TYR 221.A O no hydrogen 3.234 N/A ASN 226.A N LYS 223.A O no hydrogen 3.059 N/A SER 227.A N GLU 224.A O no hydrogen 3.043 N/A ASN 233.A ND2 GLU 224.A OE1 no hydrogen 3.071 N/A LEU 234.A N ASP 217.A OD2 no hydrogen 2.842 N/A VAL 236.A N ASN 233.A OD1 no hydrogen 3.139 N/A VAL 237.A N ASN 233.A O no hydrogen 2.976 N/A ILE 238.A N LEU 234.A O no hydrogen 2.938 N/A ALA 239.A N PRO 235.A O no hydrogen 2.911 N/A GLU 240.A N VAL 236.A O no hydrogen 2.946 N/A ARG 241.A N VAL 237.A O no hydrogen 2.914 N/A ARG 241.A NE GLU 163.A OE1 no hydrogen 2.788 N/A ARG 241.A NH1 GLU 240.A OE1 no hydrogen 3.028 N/A ARG 241.A NH2 GLU 163.A OE1 no hydrogen 3.386 N/A GLU 242.A N ILE 238.A O no hydrogen 2.829 N/A GLN 243.A NE2.A GLU 240.A O no hydrogen 2.936 N/A LEU 244.A N ALA 239.A O no hydrogen 3.064 N/A CYS 245.A SG ASP 248.A OD2 no hydrogen 2.352 N/A ARG 247.A NE PHE 310.A O no hydrogen 2.948 N/A ARG 247.A NH2 PHE 310.A O no hydrogen 3.083 N/A ALA 249.A N CYS 245.A O no hydrogen 3.035 N/A TYR 250.A N GLU 246.A O no hydrogen 2.942 N/A TYR 250.A OH LEU 218.A O no hydrogen 2.672 N/A LEU 251.A N ARG 247.A O no hydrogen 2.902 N/A LYS 252.A N ASP 248.A O no hydrogen 2.902 N/A LYS 252.A NZ GLU 242.A OE1 no hydrogen 2.969 N/A ALA 253.A N ALA 249.A O no hydrogen 3.011 N/A VAL 254.A N TYR 250.A O no hydrogen 2.937 N/A GLU 255.A N LEU 251.A O no hydrogen 3.142 N/A VAL 256.A N LYS 252.A O no hydrogen 2.838 N/A HIS 257.A N ALA 253.A O no hydrogen 2.932 N/A HIS 257.A ND1 ASN 258.A OD1 no hydrogen 2.842 N/A ASN 258.A N VAL 254.A O no hydrogen 2.953 N/A ASN 258.A ND2 GLY 6.A O no hydrogen 2.590 N/A GLU 259.A N GLU 255.A O no hydrogen 3.016 N/A LEU 260.A N VAL 256.A O no hydrogen 2.992 N/A GLN 261.A N HIS 257.A O no hydrogen 2.804 N/A GLN 261.A NE2 GLU 265.A OE2 no hydrogen 2.822 N/A HIS 262.A N ASN 258.A O no hydrogen 2.834 N/A SER 263.A N GLU 259.A O no hydrogen 2.821 N/A SER 263.A OG GLU 259.A O no hydrogen 2.832 N/A PHE 264.A N LEU 260.A O no hydrogen 2.814 N/A GLU 265.A N GLN 261.A O no hydrogen 2.964 N/A ALA 266.A N HIS 262.A O no hydrogen 3.028 N/A ALA 267.A N SER 263.A O no hydrogen 2.915 N/A ALA 268.A N PHE 264.A O no hydrogen 2.879 N/A ALA 269.A N GLU 265.A O no hydrogen 2.826 N/A ASP 270.A N ALA 266.A O no hydrogen 2.958 N/A LEU 271.A N ALA 267.A O no hydrogen 3.077 N/A ALA 272.A N ALA 268.A O no hydrogen 2.953 N/A GLU 273.A N ALA 269.A O no hydrogen 3.170 N/A ALA 274.A N ASP 270.A O no hydrogen 2.978 N/A CYS 275.A N LEU 271.A O no hydrogen 2.917 N/A LEU 277.A N CYS 275.A O no hydrogen 2.853 N/A LEU 281.A N LEU 277.A O no hydrogen 3.017 N/A ARG 282.A N PRO 278.A O no hydrogen 2.872 N/A PHE 283.A N PRO 279.A O no hydrogen 3.088 N/A LEU 284.A N VAL 280.A O no hydrogen 2.842 N/A ARG 285.A N LEU 281.A O no hydrogen 3.049 N/A GLY 286.A N ARG 282.A O no hydrogen 2.784 N/A VAL 287.A N PHE 283.A O no hydrogen 2.828 N/A ALA 288.A N LEU 284.A O no hydrogen 3.176 N/A ALA 289.A N ARG 285.A O no hydrogen 2.868 N/A TRP 290.A N GLY 286.A O no hydrogen 2.873 N/A VAL 291.A N VAL 287.A O no hydrogen 2.906 N/A ASP 292.A N ALA 288.A O no hydrogen 2.903 N/A GLY 293.A N ALA 289.A O no hydrogen 2.837 N/A ASN 294.A N TRP 290.A O no hydrogen 2.737 N/A ASN 294.A ND2 THR 212.A OG1 no hydrogen 2.807 N/A HIS 295.A N VAL 291.A O no hydrogen 2.994 N/A HIS 295.A NE2 TYR 219.A OH no hydrogen 2.587 N/A ASP 296.A N ASP 292.A O no hydrogen 3.053 N/A TRP 297.A N GLY 293.A O no hydrogen 2.931 N/A HIS 298.A N ASN 294.A O no hydrogen 3.028 N/A HIS 298.A ND1 ASN 294.A O no hydrogen 2.903 N/A ARG 299.A N HIS 295.A O no hydrogen 2.870 N/A ARG 299.A NH1 GLY 1.A O no hydrogen 2.856 N/A ARG 299.A NH2 ASP 296.A OD1 no hydrogen 2.716 N/A THR 300.A N ASP 296.A O no hydrogen 3.017 N/A THR 300.A OG1 ASP 296.A O no hydrogen 2.958 N/A THR 300.A OG1 TRP 297.A O no hydrogen 3.412 N/A ASN 301.A N TRP 297.A O no hydrogen 3.080 N/A ASN 301.A N HIS 298.A O no hydrogen 3.365 N/A ARG 304.A N ASN 301.A OD1 no hydrogen 3.247 N/A ARG 304.A NE TYR 305.A OH no hydrogen 3.140 N/A TYR 305.A N ASN 301.A O no hydrogen 3.165 N/A SER 306.A OG THR 222.A OG1 no hydrogen 3.026 N/A