Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2bq8_X.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ILE 276.A O no hydrogen 2.797 N/A ARG 6.A N ASP 43.A OD2 no hydrogen 2.768 N/A PHE 7.A N VAL 274.A O no hydrogen 2.875 N/A VAL 8.A N PHE 44.A O no hydrogen 3.358 N/A ALA 9.A N ALA 272.A O no hydrogen 2.817 N/A VAL 10.A N LEU 46.A O no hydrogen 2.969 N/A ASP 12.A N GLY 49.A O no hydrogen 2.883 N/A TRP 13.A NE1 SER 47.A OG no hydrogen 2.828 N/A GLY 14.A N ASP 50.A O no hydrogen 3.171 N/A GLY 15.A N TRP 13.A O no hydrogen 2.664 N/A PHE 21.A N ASN 18.A O no hydrogen 2.800 N/A THR 23.A OG1 ASN 241.A O no hydrogen 3.201 N/A THR 23.A OG1 ASN 241.A OD1 no hydrogen 2.608 N/A ARG 25.A NE SER 267.A O no hydrogen 2.807 N/A ARG 25.A NH2 SER 267.A O no hydrogen 3.141 N/A GLU 26.A N THR 23.A OG1 no hydrogen 2.953 N/A MET 27.A N THR 23.A O no hydrogen 3.051 N/A ALA 28.A N ALA 24.A O no hydrogen 2.947 N/A ASN 29.A N ARG 25.A O no hydrogen 2.954 N/A ASN 29.A ND2 ARG 25.A O no hydrogen 2.947 N/A ASN 29.A ND2 ALA 239.A O no hydrogen 3.415 N/A ASN 29.A ND2 GLY 240.A O no hydrogen 3.276 N/A ASN 29.A ND2 LEU 268.A O no hydrogen 3.403 N/A ALA 30.A N GLU 26.A O no hydrogen 2.892 N/A LYS 31.A N MET 27.A O no hydrogen 2.914 N/A GLU 32.A N ALA 28.A O no hydrogen 2.841 N/A ILE 33.A N ASN 29.A O no hydrogen 2.694 N/A ALA 34.A N ALA 30.A O no hydrogen 2.900 N/A ARG 35.A N LYS 31.A O no hydrogen 3.025 N/A THR 36.A N GLU 32.A O no hydrogen 2.893 N/A THR 36.A OG1 GLU 32.A O no hydrogen 2.979 N/A VAL 37.A N ILE 33.A O no hydrogen 2.917 N/A GLN 38.A N ALA 34.A O no hydrogen 2.962 N/A ILE 39.A N ARG 35.A O no hydrogen 2.894 N/A LEU 40.A N THR 36.A O no hydrogen 2.762 N/A GLY 41.A N THR 36.A O no hydrogen 3.180 N/A GLY 41.A N VAL 37.A O no hydrogen 2.888 N/A ASP 43.A N ARG 6.A O no hydrogen 2.639 N/A ILE 45.A N PRO 82.A O no hydrogen 2.857 N/A LEU 46.A N VAL 8.A O no hydrogen 2.783 N/A SER 47.A N TYR 84.A O no hydrogen 3.026 N/A SER 47.A OG ASN 51.A OD1 no hydrogen 2.538 N/A LEU 48.A N VAL 10.A O no hydrogen 2.855 N/A GLY 49.A N SER 47.A OG no hydrogen 3.220 N/A ASP 50.A N ASP 91.A OD2 no hydrogen 2.768 N/A ASN 51.A N ASP 91.A OD1 no hydrogen 3.059 N/A ASN 51.A N ASP 91.A OD2 no hydrogen 3.223 N/A ASN 51.A ND2 LEU 86.A O no hydrogen 3.152 N/A ASN 51.A ND2 GLN 99.A OE1 no hydrogen 2.903 N/A TYR 53.A N GLY 14.A O no hydrogen 2.845 N/A TYR 53.A OH ASP 50.A OD2 no hydrogen 3.160 N/A TYR 53.A OH ASP 145.A OD2 no hydrogen 3.027 N/A GLY 56.A N PHE 52.A O no hydrogen 2.921 N/A GLN 58.A N ASP 62.A OD2 no hydrogen 2.837 N/A ASN 61.A N ASP 59.A OD1 no hydrogen 2.879 N/A ASP 62.A N ASP 59.A O no hydrogen 3.095 N/A ARG 64.A N ASP 62.A OD1 no hydrogen 2.944 N/A ARG 64.A NE THR 68.A OG1 no hydrogen 2.749 N/A ARG 64.A NH1 TYR 53.A O no hydrogen 2.799 N/A ARG 64.A NH2 TYR 53.A O no hydrogen 2.860 N/A PHE 65.A N ASP 62.A O no hydrogen 3.160 N/A GLN 66.A NE2 ASP 71.A OD1 no hydrogen 2.834 N/A GLU 67.A N LYS 63.A O no hydrogen 2.930 N/A THR 68.A N ARG 64.A O no hydrogen 2.825 N/A THR 68.A OG1 PHE 21.A O no hydrogen 2.673 N/A PHE 69.A N PHE 65.A O no hydrogen 3.311 N/A GLU 70.A N PHE 65.A O no hydrogen 2.841 N/A ASP 71.A N GLN 66.A O no hydrogen 2.699 N/A VAL 72.A N PHE 69.A O no hydrogen 3.256 N/A PHE 73.A N PHE 69.A O no hydrogen 3.024 N/A SER 74.A OG ASP 71.A O no hydrogen 3.345 N/A SER 77.A N ASP 75.A OD2 no hydrogen 2.804 N/A SER 77.A OG ASP 75.A OD2 no hydrogen 3.033 N/A LEU 78.A N ASP 75.A O no hydrogen 3.049 N/A ARG 79.A N ARG 76.A O no hydrogen 3.282 N/A TRP 83.A N ARG 108.A O no hydrogen 2.718 N/A TRP 83.A NE1 LEU 78.A O no hydrogen 3.275 N/A TYR 84.A N ILE 45.A O no hydrogen 2.797 N/A VAL 85.A N ASN 110.A O no hydrogen 2.935 N/A GLY 88.A N ASP 91.A OD2 no hydrogen 2.729 N/A HIS 90.A N ASP 50.A OD1 no hydrogen 3.061 N/A HIS 90.A ND1 PHE 54.A O no hydrogen 2.597 N/A HIS 92.A N GLY 88.A O no hydrogen 3.236 N/A HIS 92.A NE2 ASP 135.A OD2 no hydrogen 2.667 N/A LEU 93.A N ASN 89.A O no hydrogen 3.027 N/A LEU 93.A N HIS 90.A O no hydrogen 3.266 N/A GLY 94.A N ASP 91.A O no hydrogen 3.067 N/A ASN 95.A N VAL 57.A O no hydrogen 2.892 N/A ASN 95.A ND2 GLN 58.A O no hydrogen 2.305 N/A ALA 98.A N ASN 95.A O no hydrogen 3.294 N/A GLN 99.A NE2 ASP 91.A OD1 no hydrogen 2.809 N/A ILE 100.A N VAL 96.A O no hydrogen 2.976 N/A ALA 101.A N SER 97.A O no hydrogen 2.775 N/A TYR 102.A N ALA 98.A O no hydrogen 2.869 N/A TYR 102.A OH GLU 70.A OE2 no hydrogen 2.499 N/A SER 103.A N ILE 100.A O no hydrogen 3.033 N/A SER 103.A OG ILE 100.A O no hydrogen 2.837 N/A SER 103.A OG PHE 111.A O no hydrogen 3.067 N/A LYS 104.A N ALA 101.A O no hydrogen 2.814 N/A ILE 105.A N TYR 102.A O no hydrogen 2.963 N/A SER 106.A N TYR 102.A O no hydrogen 2.988 N/A ARG 108.A NH1 PHE 73.A O no hydrogen 2.772 N/A ARG 108.A NH1 LEU 78.A O no hydrogen 2.959 N/A ARG 108.A NH2 GLU 70.A OE1 no hydrogen 2.974 N/A ARG 108.A NH2 PHE 73.A O no hydrogen 2.846 N/A TRP 109.A N SER 106.A OG no hydrogen 3.167 N/A TRP 109.A NE1 GLN 99.A O no hydrogen 2.803 N/A ASN 110.A N TRP 83.A O no hydrogen 2.895 N/A ASN 110.A ND2 TRP 83.A O no hydrogen 3.205 N/A PHE 111.A N SER 103.A OG no hydrogen 2.842 N/A SER 113.A OG PHE 115.A O no hydrogen 2.865 N/A TYR 116.A N MET 133.A O no hydrogen 3.082 N/A TYR 116.A OH VAL 85.A O no hydrogen 2.510 N/A ARG 117.A NH2 GLU 176.A OE2 no hydrogen 2.720 N/A LEU 118.A N ILE 131.A O no hydrogen 2.735 N/A HIS 119.A ND1 GLU 176.A OE2 no hydrogen 2.519 N/A PHE 120.A N VAL 129.A O no hydrogen 2.744 N/A ILE 122.A N VAL 127.A O no hydrogen 2.755 N/A THR 125.A N ILE 122.A O no hydrogen 3.071 N/A THR 125.A OG1 ILE 122.A O no hydrogen 2.640 N/A VAL 127.A N THR 125.A OG1 no hydrogen 2.999 N/A SER 128.A N ASP 177.A OD2 no hydrogen 2.893 N/A SER 128.A OG ASP 177.A OD2 no hydrogen 3.152 N/A VAL 129.A N PHE 120.A O no hydrogen 2.717 N/A ALA 130.A N TYR 178.A O no hydrogen 2.986 N/A ILE 131.A N LEU 118.A O no hydrogen 2.793 N/A PHE 132.A N LEU 180.A O no hydrogen 2.926 N/A MET 133.A N TYR 116.A O no hydrogen 2.958 N/A LEU 134.A N ALA 182.A O no hydrogen 2.748 N/A ASP 135.A N GLN 163.A OE1 no hydrogen 2.769 N/A THR 138.A N ASP 135.A OD1 no hydrogen 3.078 N/A THR 138.A OG1 ASP 135.A O no hydrogen 3.282 N/A LEU 139.A N ASP 135.A O no hydrogen 3.244 N/A CYS 140.A N THR 136.A O no hydrogen 2.789 N/A GLY 141.A N VAL 137.A O no hydrogen 2.640 N/A ASN 142.A ND2 ASN 89.A OD1 no hydrogen 2.502 N/A SER 143.A N ASN 89.A OD1 no hydrogen 3.265 N/A SER 143.A OG HIS 219.A NE2 no hydrogen 3.107 N/A ASP 145.A N HIS 90.A NE2 no hydrogen 2.975 N/A PHE 146.A N ASP 144.A OD1 no hydrogen 2.847 N/A LEU 147.A N ASP 144.A O no hydrogen 3.204 N/A GLN 150.A NE2 PRO 195.A O no hydrogen 3.014 N/A LYS 158.A N ASP 156.A OD1 no hydrogen 3.122 N/A LEU 159.A N ASP 156.A OD1 no hydrogen 3.320 N/A ALA 160.A N ASP 156.A O no hydrogen 2.975 N/A ARG 161.A N VAL 157.A O no hydrogen 2.908 N/A THR 162.A N LYS 158.A O no hydrogen 2.948 N/A THR 162.A OG1 LYS 158.A O no hydrogen 2.736 N/A GLN 163.A N LEU 159.A O no hydrogen 3.091 N/A GLN 163.A NE2 ASP 135.A O no hydrogen 2.868 N/A LEU 164.A N ALA 160.A O no hydrogen 3.054 N/A SER 165.A N ARG 161.A O no hydrogen 2.938 N/A TRP 166.A N THR 162.A O no hydrogen 2.906 N/A LEU 167.A N GLN 163.A O no hydrogen 2.885 N/A LYS 168.A N LEU 164.A O no hydrogen 2.938 N/A LYS 169.A N SER 165.A O no hydrogen 3.099 N/A GLN 170.A N TRP 166.A O no hydrogen 2.907 N/A LEU 171.A N LEU 167.A O no hydrogen 2.817 N/A ALA 172.A N LYS 168.A O no hydrogen 2.907 N/A ALA 173.A N LYS 169.A O no hydrogen 2.882 N/A ALA 174.A N LEU 171.A O no hydrogen 3.376 N/A ARG 175.A NH1 PRO 304.A O no hydrogen 3.298 N/A ARG 175.A NH2 PRO 304.A O no hydrogen 2.786 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.827 N/A ASP 177.A N SER 128.A OG no hydrogen 3.399 N/A TYR 178.A N SER 128.A O no hydrogen 3.166 N/A TYR 178.A OH SER 277.A O no hydrogen 2.659 N/A LEU 180.A N ALA 130.A O no hydrogen 2.831 N/A VAL 181.A N ALA 214.A O no hydrogen 3.126 N/A ALA 182.A N PHE 132.A O no hydrogen 2.768 N/A GLY 183.A N LEU 216.A O no hydrogen 2.914 N/A HIS 184.A ND1 LEU 48.A O no hydrogen 2.800 N/A TYR 185.A N THR 136.A OG1 no hydrogen 3.158 N/A TYR 185.A OH GLY 141.A O no hydrogen 2.738 N/A SER 189.A OG ASP 220.A OD2 no hydrogen 2.504 N/A ILE 190.A N GLN 224.A OE1 no hydrogen 2.917 N/A ALA 191.A N SER 189.A OG no hydrogen 3.181 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.721 N/A HIS 193.A N ASP 220.A OD1 no hydrogen 2.775 N/A GLY 194.A N ASP 220.A OD2 no hydrogen 2.992 N/A THR 196.A N PRO 186.A O no hydrogen 3.109 N/A THR 196.A OG1 PRO 186.A O no hydrogen 2.716 N/A HIS 197.A N GLN 150.A OE1 no hydrogen 2.884 N/A CYS 198.A SG LEU 139.A O no hydrogen 4.006 N/A VAL 200.A N THR 196.A O no hydrogen 2.880 N/A LYS 201.A N HIS 197.A O no hydrogen 2.979 N/A LYS 201.A NZ HIS 197.A NE2 no hydrogen 3.074 N/A GLN 202.A N CYS 198.A O no hydrogen 2.840 N/A LEU 203.A N LEU 199.A O no hydrogen 2.883 N/A ARG 204.A N LEU 199.A O no hydrogen 2.888 N/A ARG 204.A NE VAL 200.A O no hydrogen 3.092 N/A LEU 206.A N LEU 203.A O no hydrogen 2.937 N/A LEU 207.A N ARG 204.A O no hydrogen 3.024 N/A THR 209.A OG1 PRO 205.A O no hydrogen 2.603 N/A TYR 210.A N LEU 206.A O no hydrogen 3.083 N/A GLY 211.A N ALA 208.A O no hydrogen 3.101 N/A VAL 212.A N LEU 207.A O no hydrogen 2.825 N/A THR 213.A N VAL 179.A O no hydrogen 2.959 N/A TYR 215.A N GLY 233.A O no hydrogen 2.857 N/A TYR 215.A OH TYR 185.A O no hydrogen 2.602 N/A LEU 216.A N VAL 181.A O no hydrogen 2.837 N/A CYS 217.A N VAL 235.A O no hydrogen 2.937 N/A CYS 217.A SG GLY 218.A O no hydrogen 3.754 N/A GLY 218.A N HIS 184.A O no hydrogen 2.949 N/A HIS 219.A N ASP 12.A OD2 no hydrogen 2.841 N/A HIS 219.A ND1 HIS 184.A NE2 no hydrogen 2.972 N/A HIS 219.A NE2 SER 143.A OG no hydrogen 3.107 N/A ASP 220.A N GLY 218.A O no hydrogen 2.901 N/A HIS 221.A N GLU 192.A OE2 no hydrogen 2.789 N/A ASN 222.A N ASP 220.A O no hydrogen 2.964 N/A ASN 222.A ND2 GLU 192.A OE1 no hydrogen 3.061 N/A ASN 222.A ND2 ASP 244.A O no hydrogen 2.913 N/A LEU 223.A N TYR 262.A O no hydrogen 3.073 N/A GLN 224.A N LEU 236.A O no hydrogen 3.011 N/A GLN 224.A NE2 SER 189.A OG no hydrogen 2.760 N/A GLN 224.A NE2 ASN 222.A OD1 no hydrogen 2.880 N/A TYR 225.A N PHE 260.A O no hydrogen 2.776 N/A TYR 225.A OH GLN 227.A OE1 no hydrogen 2.852 N/A LEU 226.A N TYR 234.A O no hydrogen 3.103 N/A GLN 227.A N TYR 257.A O no hydrogen 2.852 N/A ASP 228.A N VAL 232.A O no hydrogen 3.089 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.628 N/A ASN 230.A N ASP 228.A OD1 no hydrogen 3.028 N/A GLY 231.A N ASP 228.A O no hydrogen 2.951 N/A VAL 232.A N ASP 228.A OD1 no hydrogen 3.035 N/A GLY 233.A N THR 213.A O no hydrogen 2.798 N/A TYR 234.A N LEU 226.A O no hydrogen 2.761 N/A TYR 234.A OH ASP 228.A OD2 no hydrogen 2.918 N/A VAL 235.A N TYR 215.A O no hydrogen 2.912 N/A LEU 236.A N GLN 224.A O no hydrogen 2.953 N/A SER 237.A N CYS 217.A O no hydrogen 2.753 N/A SER 237.A OG ALA 9.A O no hydrogen 2.865 N/A GLY 238.A N ASN 222.A O no hydrogen 3.020 N/A GLY 240.A N GLY 11.A O no hydrogen 3.035 N/A ASN 241.A ND2 GLY 15.A O no hydrogen 2.733 N/A ASP 244.A N HIS 221.A O no hydrogen 2.774 N/A SER 246.A N ASP 244.A OD1 no hydrogen 2.928 N/A ARG 248.A N SER 246.A OG no hydrogen 3.080 N/A HIS 249.A N ILE 190.A O no hydrogen 2.858 N/A HIS 249.A ND1 ALA 191.A O no hydrogen 2.632 N/A GLN 250.A N LYS 247.A O no hydrogen 3.107 N/A LYS 252.A N HIS 249.A O no hydrogen 2.831 N/A TYR 257.A N PRO 254.A O no hydrogen 3.289 N/A TYR 257.A OH GLU 229.A OE1 no hydrogen 2.395 N/A ARG 259.A N TYR 225.A O no hydrogen 2.795 N/A ARG 259.A NE GLY 256.A O no hydrogen 3.276 N/A PHE 260.A N TYR 225.A O no hydrogen 2.949 N/A TYR 262.A N LEU 223.A O no hydrogen 2.802 N/A TYR 262.A OH GLU 287.A OE2 no hydrogen 2.260 N/A GLU 265.A N GLU 265.A OE1 no hydrogen 3.091 N/A SER 267.A N THR 264.A O no hydrogen 3.148 N/A SER 267.A OG GLU 287.A OE2 no hydrogen 2.626 N/A GLY 269.A N SER 267.A OG no hydrogen 2.920 N/A GLY 270.A N ALA 239.A O no hydrogen 2.860 N/A PHE 271.A N ILE 286.A O no hydrogen 3.008 N/A ALA 272.A N ALA 9.A O no hydrogen 3.078 N/A TYR 273.A N THR 284.A O no hydrogen 2.696 N/A TYR 273.A OH GLY 41.A O no hydrogen 2.466 N/A VAL 274.A N PHE 7.A O no hydrogen 2.728 N/A GLU 275.A N THR 282.A O no hydrogen 2.996 N/A ILE 276.A N LEU 5.A O no hydrogen 2.765 N/A SER 277.A N GLU 280.A O no hydrogen 2.935 N/A SER 277.A OG GLU 280.A O no hydrogen 3.386 N/A LYS 279.A N SER 277.A OG no hydrogen 3.203 N/A GLU 280.A N SER 277.A OG no hydrogen 3.385 N/A MET 281.A N LEU 298.A O no hydrogen 2.793 N/A THR 282.A N GLU 275.A O no hydrogen 2.792 N/A THR 282.A OG1 GLU 275.A OE1 no hydrogen 3.103 N/A VAL 283.A N THR 296.A O no hydrogen 2.944 N/A THR 284.A N TYR 273.A O no hydrogen 2.755 N/A TYR 285.A N PHE 294.A O no hydrogen 2.819 N/A TYR 285.A OH GLN 224.A O no hydrogen 2.695 N/A ILE 286.A N PHE 271.A O no hydrogen 2.927 N/A GLU 287.A N LYS 291.A O no hydrogen 2.805 N/A ALA 288.A N GLY 269.A O no hydrogen 2.841 N/A SER 289.A OG GLU 287.A OE1 no hydrogen 3.119 N/A GLY 290.A N GLU 287.A O no hydrogen 2.732 N/A LEU 293.A N TYR 285.A O no hydrogen 2.752 N/A THR 296.A N VAL 283.A O no hydrogen 2.970 N/A LEU 298.A N MET 281.A O no hydrogen 2.743 N/A ARG 300.A N LYS 279.A O no hydrogen 3.002 N/A ARG 300.A NH1 SER 278.A O no hydrogen 3.109 N/A ARG 301.A NH2 ASN 230.A O no hydrogen 3.433 N/A ARG 303.A NE TYR 210.A O no hydrogen 3.402 N/A ARG 303.A NE GLY 211.A O no hydrogen 3.118 N/A ARG 303.A NH1 ALA 174.A O no hydrogen 2.865 N/A ARG 303.A NH1 GLU 176.A O no hydrogen 2.785 N/A ARG 303.A NH2 ALA 174.A O no hydrogen 3.420 N/A ARG 303.A NH2 TYR 210.A O no hydrogen 2.847 N/A