Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wj8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 9.A NE2 PHE 7.A O no hydrogen 2.806 N/A VAL 10.A N ARG 40.A O no hydrogen 3.219 N/A GLN 14.A N ASP 11.A O no hydrogen 3.085 N/A LYS 16.A NZ HIS 13.A O no hydrogen 3.512 N/A LEU 19.A N LYS 16.A O no hydrogen 3.054 N/A ALA 20.A N GLY 17.A O no hydrogen 2.863 N/A GLU 21.A N GLY 17.A O no hydrogen 3.248 N/A VAL 22.A N LEU 19.A O no hydrogen 3.141 N/A TYR 23.A N LEU 19.A O no hydrogen 3.174 N/A TYR 23.A OH VAL 10.A O no hydrogen 3.051 N/A ASP 24.A N ALA 20.A O no hydrogen 3.283 N/A ASP 25.A N GLU 21.A O no hydrogen 2.779 N/A ILE 26.A N VAL 22.A O no hydrogen 2.776 N/A HIS 27.A N TYR 23.A O no hydrogen 2.972 N/A HIS 27.A ND1 VAL 32.A O no hydrogen 2.831 N/A ASN 28.A N ASP 24.A O no hydrogen 2.822 N/A THR 29.A N ASP 25.A O no hydrogen 2.726 N/A THR 29.A OG1 ASP 25.A O no hydrogen 2.801 N/A THR 29.A OG1 ASP 25.A OD1 no hydrogen 2.842 N/A MET 30.A N ILE 26.A O no hydrogen 2.914 N/A ARG 31.A NE GLY 152.A O no hydrogen 3.154 N/A ARG 31.A NH1 TYR 296.A O no hydrogen 3.165 N/A ARG 31.A NH1 THR 297.A OG1 no hydrogen 2.797 N/A VAL 32.A N HIS 27.A O no hydrogen 3.042 N/A ARG 40.A N ALA 36.A O no hydrogen 3.004 N/A ARG 40.A NE GLN 9.A OE1 no hydrogen 2.926 N/A ARG 40.A NH1 VAL 35.A O no hydrogen 2.753 N/A ARG 40.A NH1 SER 190.A OG no hydrogen 2.862 N/A ARG 40.A NH2 GLN 9.A OE1 no hydrogen 2.743 N/A ARG 40.A NH2 SER 190.A OG no hydrogen 3.410 N/A VAL 41.A N PHE 37.A O no hydrogen 2.881 N/A MET 42.A N GLY 38.A O no hydrogen 2.779 N/A SER 43.A N ARG 40.A O no hydrogen 3.309 N/A SER 43.A OG ILE 39.A O no hydrogen 2.647 N/A GLN 44.A N VAL 41.A O no hydrogen 3.527 N/A PHE 48.A N PRO 46.A O no hydrogen 2.579 N/A HIS 51.A N HIS 47.A O no hydrogen 3.041 N/A ALA 52.A N PHE 48.A O no hydrogen 2.817 N/A TRP 53.A N ILE 49.A O no hydrogen 2.788 N/A ALA 54.A N PRO 50.A O no hydrogen 3.063 N/A ALA 55.A N HIS 51.A O no hydrogen 3.355 N/A LEU 56.A N ALA 52.A O no hydrogen 2.958 N/A LEU 56.A N TRP 53.A O no hydrogen 2.919 N/A LYS 57.A N TRP 53.A O no hydrogen 2.895 N/A LYS 57.A NZ ASP 25.A OD1 no hydrogen 2.455 N/A LYS 57.A NZ ASP 25.A OD2 no hydrogen 2.677 N/A ASN 59.A N LEU 56.A O no hydrogen 3.018 N/A ASN 59.A ND2 ALA 55.A O no hydrogen 3.288 N/A ASN 59.A ND2 LYS 239.A O no hydrogen 3.048 N/A ILE 60.A N LEU 56.A O no hydrogen 2.909 N/A ILE 60.A N LYS 57.A O no hydrogen 2.950 N/A GLU 61.A N LYS 57.A O no hydrogen 3.164 N/A THR 62.A OG1 ASN 59.A O no hydrogen 3.262 N/A ARG 63.A N GLU 147.A O no hydrogen 2.847 N/A ARG 63.A NH2 THR 297.A O no hydrogen 2.636 N/A TYR 64.A N ASP 145.A O no hydrogen 2.969 N/A TYR 64.A OH HIS 233.A O no hydrogen 2.783 N/A ALA 65.A N THR 62.A OG1 no hydrogen 3.094 N/A GLU 66.A N THR 62.A O no hydrogen 3.095 N/A ASP 67.A N ARG 63.A O no hydrogen 2.962 N/A GLY 68.A N TYR 64.A O no hydrogen 3.116 N/A ALA 69.A N ALA 65.A O no hydrogen 2.847 N/A ASP 70.A N GLU 66.A O no hydrogen 2.905 N/A LEU 71.A N ASP 67.A O no hydrogen 3.006 N/A ILE 72.A N GLY 68.A O no hydrogen 3.151 N/A ARG 73.A N ALA 69.A O no hydrogen 2.999 N/A ARG 73.A NE ASN 111.A O no hydrogen 2.969 N/A ARG 73.A NH1 ASP 70.A OD1 no hydrogen 3.178 N/A ARG 73.A NH2 TYR 112.A O no hydrogen 2.828 N/A LEU 74.A N ASP 70.A O no hydrogen 2.808 N/A ASN 75.A N LEU 71.A O no hydrogen 3.168 N/A ASN 75.A N ILE 72.A O no hydrogen 2.988 N/A ASN 75.A ND2 LEU 71.A O no hydrogen 2.768 N/A SER 76.A N ARG 73.A O no hydrogen 3.388 N/A SER 76.A OG ILE 72.A O no hydrogen 2.635 N/A GLY 80.A N VAL 78.A O no hydrogen 2.439 N/A THR 87.A N ASN 85.A OD1 no hydrogen 3.121 N/A THR 87.A OG1 ASN 85.A OD1 no hydrogen 2.857 N/A LYS 89.A NZ ASP 208.A OD2 no hydrogen 2.511 N/A LEU 90.A N PRO 86.A O no hydrogen 3.048 N/A LEU 91.A N THR 87.A O no hydrogen 2.937 N/A ARG 92.A N PRO 88.A O no hydrogen 2.990 N/A LEU 93.A N LYS 89.A O no hydrogen 2.924 N/A GLY 94.A N LEU 91.A O no hydrogen 2.703 N/A TRP 95.A N LEU 90.A O no hydrogen 3.035 N/A TRP 95.A NE1 ASP 200.A OD2 no hydrogen 3.194 N/A LYS 99.A N THR 96.A OG1 no hydrogen 2.551 N/A ILE 100.A N THR 96.A O no hydrogen 3.086 N/A GLU 101.A N GLU 97.A O no hydrogen 2.961 N/A GLU 102.A N SER 98.A O no hydrogen 3.171 N/A GLU 102.A N LYS 99.A O no hydrogen 2.800 N/A LEU 103.A N LYS 99.A O no hydrogen 3.045 N/A LYS 104.A N ILE 100.A O no hydrogen 2.959 N/A LYS 104.A NZ GLU 101.A OE2 no hydrogen 3.296 N/A THR 105.A N GLU 101.A O no hydrogen 3.036 N/A THR 105.A OG1 GLU 101.A O no hydrogen 3.043 N/A ALA 106.A N GLU 102.A O no hydrogen 3.068 N/A LEU 107.A N LEU 103.A O no hydrogen 2.889 N/A ASP 108.A N LYS 104.A O no hydrogen 2.862 N/A LEU 109.A N THR 105.A O no hydrogen 2.846 N/A LEU 110.A N ALA 106.A O no hydrogen 2.852 N/A ASN 111.A N LEU 107.A O no hydrogen 2.853 N/A ASN 111.A ND2 ILE 278.A O no hydrogen 3.407 N/A TYR 112.A N ASP 108.A O no hydrogen 3.064 N/A TYR 112.A N LEU 109.A O no hydrogen 3.135 N/A TYR 112.A OH GLU 66.A OE2 no hydrogen 2.434 N/A GLY 113.A N LEU 109.A O no hydrogen 3.143 N/A ASN 114.A N LEU 110.A O no hydrogen 2.965 N/A ASN 114.A ND2 ASN 191.A OD1 no hydrogen 2.930 N/A LYS 116.A NZ MET 30.A O no hydrogen 2.739 N/A LYS 116.A NZ GLU 66.A OE1 no hydrogen 2.853 N/A LYS 116.A NZ TYR 112.A OH no hydrogen 2.834 N/A TYR 117.A N GLY 113.A O no hydrogen 3.024 N/A TYR 117.A OH TRP 34.A O no hydrogen 2.764 N/A LEU 118.A N ASN 114.A O no hydrogen 2.820 N/A ILE 119.A N PRO 115.A O no hydrogen 3.183 N/A LEU 120.A N LYS 116.A O no hydrogen 2.840 N/A ILE 121.A N TYR 117.A O no hydrogen 2.864 N/A THR 122.A N LEU 118.A O no hydrogen 3.086 N/A THR 122.A OG1 LEU 118.A O no hydrogen 2.824 N/A ALA 123.A N ILE 119.A O no hydrogen 2.882 N/A PHE 124.A N LEU 120.A O no hydrogen 3.040 N/A ASN 125.A N ILE 121.A O no hydrogen 2.810 N/A ASN 125.A ND2 GLU 126.A OE2 no hydrogen 3.245 N/A GLU 126.A N THR 122.A O no hydrogen 3.021 N/A ALA 127.A N ALA 123.A O no hydrogen 2.954 N/A TRP 128.A N PHE 124.A O no hydrogen 3.118 N/A TRP 128.A NE1 THR 261.A OG1 no hydrogen 3.098 N/A HIS 129.A N ASN 125.A O no hydrogen 3.387 N/A HIS 129.A N GLU 126.A O no hydrogen 3.173 N/A GLU 130.A N ALA 127.A O no hydrogen 2.869 N/A ARG 131.A N GLU 126.A O no hydrogen 2.950 N/A ARG 131.A NE GLU 126.A OE1 no hydrogen 2.908 N/A ARG 131.A NH2 GLU 126.A OE2 no hydrogen 3.016 N/A GLY 134.A N ASP 132.A OD1 no hydrogen 3.159 N/A GLY 135.A N PHE 237.A O no hydrogen 2.903 N/A LYS 140.A NZ ASP 238.A O no hydrogen 2.786 N/A LEU 141.A N ASP 238.A OD1 no hydrogen 2.871 N/A ARG 144.A NE GLU 147.A OE1 no hydrogen 3.116 N/A ARG 144.A NH2 GLU 147.A OE1 no hydrogen 3.104 N/A ASP 145.A N ARG 142.A O no hydrogen 3.159 N/A ALA 146.A N GLY 143.A O no hydrogen 3.497 N/A GLU 147.A N ARG 144.A O no hydrogen 3.022 N/A ILE 149.A N GLU 61.A O no hydrogen 2.771 N/A TYR 151.A OH ASP 25.A OD1 no hydrogen 2.806 N/A GLY 152.A N ASN 28.A O no hydrogen 3.080 N/A SER 156.A OG ASN 155.A O no hydrogen 2.312 N/A VAL 157.A N PRO 154.A O no hydrogen 2.924 N/A LYS 159.A NZ ASP 24.A OD1 no hydrogen 3.004 N/A PHE 160.A N PRO 33.A O no hydrogen 2.688 N/A LEU 163.A N ARG 193.A O no hydrogen 2.872 N/A LYS 167.A N ASP 164.A OD1 no hydrogen 3.232 N/A ALA 168.A N ILE 165.A O no hydrogen 3.245 N/A ARG 171.A NE GLU 203.A OE2 no hydrogen 2.940 N/A ARG 171.A NH2 GLU 203.A OE1 no hydrogen 3.118 N/A THR 172.A N SER 169.A OG no hydrogen 3.032 N/A THR 172.A OG1 GLY 196.A O no hydrogen 3.320 N/A GLN 173.A N SER 169.A O no hydrogen 2.864 N/A GLN 173.A NE2 ILE 165.A O no hydrogen 2.740 N/A THR 174.A N ASP 170.A O no hydrogen 2.762 N/A THR 174.A OG1 ASP 170.A O no hydrogen 2.649 N/A VAL 175.A N ARG 171.A O no hydrogen 3.075 N/A LEU 176.A N THR 172.A O no hydrogen 3.128 N/A ARG 177.A N GLN 173.A O no hydrogen 2.960 N/A ARG 177.A NE ASP 178.A OD1 no hydrogen 3.089 N/A ARG 177.A NH2 ASP 178.A OD1 no hydrogen 2.768 N/A ASP 178.A N THR 174.A O no hydrogen 2.774 N/A ILE 179.A N VAL 175.A O no hydrogen 2.929 N/A ARG 180.A N LEU 176.A O no hydrogen 2.818 N/A ARG 180.A NE ASP 181.A OD1 no hydrogen 2.932 N/A ARG 180.A NH2 ASP 181.A OD1 no hydrogen 3.229 N/A ARG 180.A NH2 ASP 181.A OD2 no hydrogen 3.354 N/A ASP 181.A N ARG 177.A O no hydrogen 2.772 N/A ALA 182.A N ASP 178.A O no hydrogen 2.839 N/A PHE 183.A N ARG 180.A O no hydrogen 3.329 N/A LEU 184.A N ASP 181.A O no hydrogen 3.058 N/A HIS 185.A N ARG 180.A O no hydrogen 2.852 N/A HIS 185.A NE2 ASP 273.A OD2 no hydrogen 2.869 N/A HIS 186.A N HIS 186.A ND1 no hydrogen 2.883 N/A HIS 186.A NE2 TYR 267.A OH no hydrogen 2.921 N/A ASN 191.A ND2 ASN 114.A OD1 no hydrogen 3.193 N/A TYR 192.A N ALA 189.A O no hydrogen 3.157 N/A ARG 193.A N ALA 189.A O no hydrogen 3.120 N/A ARG 193.A NE LEU 163.A O no hydrogen 2.970 N/A ARG 193.A NH1 GLN 9.A OE1 no hydrogen 3.190 N/A VAL 194.A N SER 190.A O no hydrogen 2.922 N/A VAL 194.A N ASN 191.A O no hydrogen 3.281 N/A LEU 195.A N ASN 191.A O no hydrogen 2.872 N/A TRP 198.A N LEU 195.A O no hydrogen 3.218 N/A TYR 201.A N TRP 198.A O no hydrogen 2.798 N/A TYR 201.A N ASP 200.A OD1 no hydrogen 2.825 N/A LEU 202.A N TRP 198.A O no hydrogen 3.211 N/A GLU 203.A N PRO 199.A O no hydrogen 2.965 N/A ILE 204.A N TYR 201.A O no hydrogen 2.823 N/A ALA 205.A N TYR 201.A O no hydrogen 2.715 N/A LEU 206.A N LEU 202.A O no hydrogen 2.835 N/A ARG 207.A N GLU 203.A O no hydrogen 3.301 N/A ASP 208.A N ILE 204.A O no hydrogen 2.804 N/A SER 209.A N ALA 205.A O no hydrogen 2.661 N/A LEU 210.A N ALA 205.A O no hydrogen 3.106 N/A ALA 211.A N LEU 206.A O no hydrogen 2.803 N/A VAL 213.A N LEU 210.A O no hydrogen 3.064 N/A ALA 214.A N LEU 210.A O no hydrogen 2.899 N/A SER 216.A N VAL 213.A O no hydrogen 3.128 N/A SER 216.A OG VAL 213.A O no hydrogen 2.945 N/A SER 216.A OG GLU 218.A OE1 no hydrogen 3.323 N/A TYR 219.A N SER 216.A OG no hydrogen 3.102 N/A TYR 219.A OH ASP 273.A O no hydrogen 2.506 N/A ASP 220.A N SER 216.A O no hydrogen 2.857 N/A GLU 221.A N ALA 217.A O no hydrogen 2.760 N/A THR 222.A N GLU 218.A O no hydrogen 3.177 N/A THR 222.A OG1 GLU 218.A O no hydrogen 2.864 N/A ALA 223.A N TYR 219.A O no hydrogen 2.910 N/A ARG 224.A N ASP 220.A O no hydrogen 2.714 N/A ARG 224.A NE GLU 221.A OE1 no hydrogen 2.774 N/A ARG 224.A NH2 GLU 221.A OE1 no hydrogen 3.337 N/A ARG 224.A NH2 GLU 221.A OE2 no hydrogen 2.697 N/A ARG 225.A N GLU 221.A O no hydrogen 3.031 N/A ARG 225.A NE ASN 75.A O no hydrogen 3.042 N/A ARG 225.A NH2 ASN 75.A O no hydrogen 2.367 N/A ARG 225.A NH2 ILE 77.A O no hydrogen 3.049 N/A ILE 226.A N THR 222.A O no hydrogen 3.280 N/A ARG 227.A N ALA 223.A O no hydrogen 2.902 N/A LYS 228.A N ARG 224.A O no hydrogen 2.939 N/A ILE 229.A N ARG 225.A O no hydrogen 2.974 N/A ALA 230.A N ILE 226.A O no hydrogen 2.940 N/A ARG 231.A N ARG 227.A O no hydrogen 2.777 N/A GLU 232.A N LYS 228.A O no hydrogen 2.852 N/A HIS 233.A N ILE 229.A O no hydrogen 2.815 N/A HIS 233.A NE2 TYR 64.A O no hydrogen 3.005 N/A VAL 234.A N ALA 230.A O no hydrogen 3.189 N/A LYS 235.A N GLU 232.A O no hydrogen 3.226 N/A GLY 236.A N HIS 233.A O no hydrogen 3.002 N/A PHE 237.A N VAL 234.A O no hydrogen 3.053 N/A LYS 239.A N ASN 59.A OD1 no hydrogen 3.481 N/A ALA 241.A N THR 133.A OG1 no hydrogen 3.140 N/A TRP 245.A N TRP 128.A O no hydrogen 3.221 N/A ARG 246.A NH1 GLU 130.A OE1 no hydrogen 3.084 N/A ARG 246.A NH1 GLU 130.A OE2 no hydrogen 2.873 N/A ASP 247.A N ALA 244.A O no hydrogen 2.643 N/A MET 248.A N TRP 245.A O no hydrogen 2.974 N/A LYS 251.A N MET 248.A O no hydrogen 2.736 N/A LEU 252.A N MET 248.A O no hydrogen 2.806 N/A SER 253.A N GLN 256.A OE1 no hydrogen 2.768 N/A SER 253.A OG GLN 256.A OE1 no hydrogen 3.540 N/A GLN 256.A N SER 253.A OG no hydrogen 3.177 N/A ILE 257.A N SER 253.A O no hydrogen 2.923 N/A ALA 258.A N ALA 254.A O no hydrogen 3.162 N/A GLY 259.A N GLU 255.A O no hydrogen 2.990 N/A LEU 260.A N GLN 256.A O no hydrogen 2.920 N/A THR 261.A N ILE 257.A O no hydrogen 2.792 N/A THR 261.A OG1 ILE 257.A O no hydrogen 2.435 N/A GLY 262.A N ALA 258.A O no hydrogen 3.169 N/A LEU 263.A N GLY 259.A O no hydrogen 2.878 N/A LEU 264.A N LEU 260.A O no hydrogen 2.892 N/A PHE 265.A N THR 261.A O no hydrogen 3.271 N/A MET 266.A N GLY 262.A O no hydrogen 2.798 N/A TYR 267.A N LEU 263.A O no hydrogen 2.895 N/A TYR 267.A OH HIS 186.A NE2 no hydrogen 2.921 N/A ASN 268.A N LEU 264.A O no hydrogen 3.065 N/A ARG 269.A N PHE 265.A O no hydrogen 3.298 N/A ARG 269.A N MET 266.A O no hydrogen 3.065 N/A PHE 270.A N MET 266.A O no hydrogen 2.864 N/A ILE 271.A N TYR 267.A O no hydrogen 2.930 N/A ASP 273.A N ARG 269.A O no hydrogen 3.005 N/A ILE 274.A N PHE 270.A O no hydrogen 2.856 N/A THR 275.A N ILE 271.A O no hydrogen 2.742 N/A THR 275.A OG1 ILE 271.A O no hydrogen 2.921 N/A ILE 276.A N ALA 272.A O no hydrogen 3.177 N/A ALA 277.A N ASP 273.A O no hydrogen 2.965 N/A ILE 278.A N ILE 274.A O no hydrogen 2.992 N/A ILE 279.A N THR 275.A O no hydrogen 3.276 N/A ARG 280.A N ILE 276.A O no hydrogen 2.885 N/A ARG 280.A NE SER 209.A O no hydrogen 2.772 N/A ARG 280.A NH2 PRO 81.A O no hydrogen 3.095 N/A LEU 281.A N ALA 277.A O no hydrogen 3.066 N/A LYS 282.A N ILE 278.A O no hydrogen 3.085 N/A LYS 282.A NZ ASP 108.A OD1 no hydrogen 2.373 N/A LYS 282.A NZ ASP 108.A OD2 no hydrogen 3.152 N/A LYS 282.A NZ ASP 290.A OD2 no hydrogen 3.032 N/A GLN 283.A N ILE 279.A O no hydrogen 2.801 N/A ALA 284.A N ARG 280.A O no hydrogen 3.087 N/A ALA 284.A N LEU 281.A O no hydrogen 2.944 N/A SER 286.A N LYS 282.A O no hydrogen 3.130 N/A SER 286.A OG LYS 282.A O no hydrogen 2.852 N/A SER 286.A OG ASP 290.A OD2 no hydrogen 2.617 N/A ALA 291.A N GLY 287.A O no hydrogen 3.007 N/A THR 292.A N PRO 288.A O no hydrogen 3.259 N/A THR 292.A OG1 PRO 288.A O no hydrogen 2.696 N/A ASN 294.A ND2 GLU 66.A OE2 no hydrogen 3.180 N/A ASN 294.A ND2 ASP 70.A OD1 no hydrogen 2.786 N/A LYS 295.A NZ ASP 108.A OD2 no hydrogen 2.753 N/A LYS 295.A NZ ASP 290.A OD1 no hydrogen 2.887 N/A TYR 296.A N ASN 294.A OD1 no hydrogen 2.913 N/A THR 297.A N ASN 294.A OD1 no hydrogen 3.008 N/A THR 297.A OG1 TYR 112.A OH no hydrogen 2.843 N/A ASN 298.A ND2 ASN 294.A O no hydrogen 2.943 N/A