Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5x5a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A NE2 ARG 249.A O no hydrogen 2.594 N/A GLU 5.A N HIS 3.A ND1 no hydrogen 2.875 N/A LEU 6.A N HIS 3.A O no hydrogen 2.781 N/A GLN 7.A N GLY 4.A O no hydrogen 3.179 N/A GLN 7.A NE2 GLY 4.A O no hydrogen 3.238 N/A GLN 7.A NE2 ARG 39.A O no hydrogen 2.689 N/A TYR 8.A OH MET 194.A O no hydrogen 2.597 N/A LEU 9.A N GLU 5.A O no hydrogen 2.980 N/A GLY 10.A N LEU 6.A O no hydrogen 2.601 N/A GLN 11.A N GLN 7.A O no hydrogen 2.777 N/A ILE 12.A N TYR 8.A O no hydrogen 3.094 N/A GLN 13.A N LEU 9.A O no hydrogen 2.956 N/A HIS 14.A N GLY 10.A O no hydrogen 2.787 N/A ILE 15.A N GLN 11.A O no hydrogen 3.014 N/A LEU 16.A N ILE 12.A O no hydrogen 3.004 N/A ARG 17.A N GLN 13.A O no hydrogen 3.032 N/A CYS 18.A N HIS 14.A O no hydrogen 2.775 N/A GLY 19.A N ILE 15.A O no hydrogen 2.812 N/A VAL 20.A N SER 32.A O no hydrogen 3.073 N/A LYS 22.A N THR 30.A O no hydrogen 3.053 N/A LYS 22.A NZ ASP 229.A OD2 no hydrogen 2.743 N/A THR 26.A OG1 ASP 24.A OD1 no hydrogen 3.040 N/A THR 26.A OG1 ASP 24.A OD2 no hydrogen 3.146 N/A THR 26.A OG1 THR 28.A OG1 no hydrogen 2.464 N/A GLY 27.A N ASP 24.A O no hydrogen 2.873 N/A THR 28.A N ASP 24.A OD1 no hydrogen 3.072 N/A THR 28.A OG1 THR 26.A OG1 no hydrogen 2.464 N/A THR 30.A N LYS 22.A O no hydrogen 2.840 N/A THR 30.A OG1 LYS 22.A O no hydrogen 2.669 N/A LEU 31.A N ILE 232.A O no hydrogen 2.822 N/A SER 32.A OG ASP 229.A OD1 no hydrogen 2.963 N/A VAL 33.A N ALA 230.A O no hydrogen 2.920 N/A GLY 35.A N GLY 228.A O no hydrogen 2.858 N/A MET 36.A N LEU 227.A O no hydrogen 3.189 N/A GLN 37.A NE2 THR 226.A OG1 no hydrogen 2.933 N/A ALA 38.A N HIS 225.A O no hydrogen 2.863 N/A ARG 39.A N GLN 7.A OE1 no hydrogen 2.787 N/A ARG 39.A NH1 ASP 222.A OD2 no hydrogen 3.371 N/A TYR 40.A N PHE 223.A O no hydrogen 2.770 N/A LEU 42.A N GLY 221.A O no hydrogen 2.787 N/A ARG 43.A N SER 41.A OG no hydrogen 3.278 N/A ARG 43.A NE GLU 182.A OE1 no hydrogen 2.808 N/A ARG 43.A NH1 SER 41.A OG no hydrogen 3.261 N/A ARG 43.A NH1 ASP 222.A OD1 no hydrogen 2.846 N/A ARG 43.A NH2 GLU 182.A OE1 no hydrogen 3.169 N/A ARG 43.A NH2 ASP 222.A OD2 no hydrogen 2.962 N/A PHE 46.A N PRO 252.A O no hydrogen 2.900 N/A LEU 48.A N PHE 46.A O no hydrogen 2.765 N/A THR 50.A N GLU 5.A OE1 no hydrogen 3.163 N/A THR 50.A N GLU 5.A OE2 no hydrogen 2.678 N/A THR 50.A OG1 GLU 5.A OE2 no hydrogen 2.685 N/A THR 50.A OG1 ARG 249.A O no hydrogen 3.340 N/A THR 51.A N GLU 5.A OE1 no hydrogen 2.742 N/A THR 51.A OG1 GLU 5.A OE1 no hydrogen 2.569 N/A LYS 52.A NZ GLY 195.A O no hydrogen 3.150 N/A VAL 54.A N TYR 276.A OH no hydrogen 3.027 N/A TRP 56.A N VAL 54.A O no hydrogen 2.775 N/A LYS 57.A NZ LYS 79.A O no hydrogen 3.480 N/A VAL 59.A N PHE 55.A O no hydrogen 2.994 N/A LEU 60.A N TRP 56.A O no hydrogen 2.978 N/A GLU 61.A N LYS 57.A O no hydrogen 2.862 N/A GLU 62.A N GLY 58.A O no hydrogen 2.945 N/A LEU 63.A N VAL 59.A O no hydrogen 3.126 N/A LEU 64.A N LEU 60.A O no hydrogen 3.011 N/A TRP 65.A N GLU 61.A O no hydrogen 2.858 N/A TRP 65.A NE1 ASN 72.A O no hydrogen 3.046 N/A PHE 66.A N GLU 62.A O no hydrogen 2.898 N/A ILE 67.A N LEU 63.A O no hydrogen 3.000 N/A LYS 68.A N LEU 64.A O no hydrogen 3.042 N/A LYS 68.A NZ GLU 75.A OE2 no hydrogen 3.174 N/A GLY 69.A N PHE 66.A O no hydrogen 2.767 N/A SER 70.A N TRP 65.A O no hydrogen 3.377 N/A THR 71.A OG1 TYR 121.A OH no hydrogen 3.017 N/A ASN 72.A N SER 70.A OG no hydrogen 3.060 N/A ALA 73.A N GLY 104.A O no hydrogen 2.734 N/A LYS 74.A N ASN 72.A OD1 no hydrogen 3.030 N/A GLU 75.A N ASN 72.A O no hydrogen 2.943 N/A SER 77.A N ALA 73.A O no hydrogen 2.878 N/A SER 77.A OG ASP 85.A OD1 no hydrogen 3.259 N/A SER 77.A OG ASP 85.A OD2 no hydrogen 2.642 N/A SER 78.A N LYS 74.A O no hydrogen 2.991 N/A SER 78.A OG GLU 75.A O no hydrogen 2.919 N/A LYS 79.A N LEU 76.A O no hydrogen 3.015 N/A GLY 80.A N SER 77.A O no hydrogen 3.043 N/A LYS 82.A NZ SER 77.A O no hydrogen 3.501 N/A TRP 84.A NE1 GLU 62.A OE2 no hydrogen 2.875 N/A ASP 85.A N LYS 82.A O no hydrogen 2.908 N/A GLY 88.A N ASP 85.A O no hydrogen 2.874 N/A SER 89.A OG ALA 86.A O no hydrogen 3.010 N/A ARG 90.A N GLU 103.A OE2 no hydrogen 3.329 N/A ARG 90.A NE ASP 94.A OD1 no hydrogen 3.037 N/A ARG 90.A NE ASP 94.A OD2 no hydrogen 3.239 N/A ARG 90.A NH1 ARG 101.A O no hydrogen 2.966 N/A ARG 90.A NH2 ASP 94.A OD1 no hydrogen 3.141 N/A ARG 90.A NH2 ARG 101.A O no hydrogen 3.115 N/A PHE 92.A N SER 89.A OG no hydrogen 3.142 N/A LEU 93.A N SER 89.A O no hydrogen 2.853 N/A ASP 94.A N ARG 90.A O no hydrogen 2.931 N/A SER 95.A N ASP 91.A O no hydrogen 3.036 N/A SER 95.A OG PHE 92.A O no hydrogen 2.816 N/A LEU 96.A N LEU 93.A O no hydrogen 3.173 N/A GLY 97.A N ASP 94.A O no hydrogen 2.782 N/A PHE 98.A N LEU 93.A O no hydrogen 3.027 N/A ARG 101.A N PHE 98.A O no hydrogen 3.280 N/A ARG 101.A NH1 ASP 105.A O no hydrogen 3.181 N/A ARG 101.A NH1 LEU 164.A O no hydrogen 3.238 N/A ARG 101.A NH2 LEU 164.A O no hydrogen 2.758 N/A GLY 104.A N GLY 88.A O no hydrogen 2.675 N/A ASP 105.A N GLU 102.A O no hydrogen 3.250 N/A LEU 106.A N THR 71.A O no hydrogen 3.172 N/A GLY 107.A N ASP 105.A OD1 no hydrogen 3.066 N/A VAL 109.A N GLY 107.A O no hydrogen 2.822 N/A PHE 112.A N VAL 109.A O no hydrogen 3.076 N/A GLN 113.A N VAL 109.A O no hydrogen 3.189 N/A GLN 113.A NE2 PRO 108.A O no hydrogen 3.398 N/A GLN 113.A NE2 ASP 161.A OD2 no hydrogen 2.963 N/A TRP 114.A N TYR 110.A O no hydrogen 2.912 N/A ARG 115.A N GLY 111.A O no hydrogen 3.270 N/A ARG 115.A NE ILE 67.A O no hydrogen 2.984 N/A ARG 115.A NH1 ASP 134.A OD1 no hydrogen 3.087 N/A ARG 115.A NH1 ASP 134.A OD2 no hydrogen 2.819 N/A ARG 115.A NH2 ILE 67.A O no hydrogen 3.108 N/A HIS 116.A N PHE 112.A O no hydrogen 2.713 N/A HIS 116.A ND1 GLN 131.A O no hydrogen 2.949 N/A PHE 117.A N VAL 133.A O no hydrogen 3.072 N/A ALA 119.A N HIS 116.A O no hydrogen 2.992 N/A TYR 121.A OH THR 71.A OG1 no hydrogen 3.017 N/A TYR 121.A OH ASP 105.A OD1 no hydrogen 2.544 N/A ARG 122.A N TYR 128.A OH no hydrogen 2.694 N/A ARG 122.A NH2 ASP 127.A O no hydrogen 3.312 N/A ASP 123.A N SER 126.A OG no hydrogen 3.064 N/A MET 124.A N ASP 105.A OD2 no hydrogen 3.094 N/A GLU 125.A N ASP 123.A OD1 no hydrogen 2.923 N/A SER 126.A N ASP 123.A O no hydrogen 3.371 N/A SER 126.A OG ASP 123.A O no hydrogen 3.282 N/A SER 126.A OG ASP 123.A OD1 no hydrogen 3.154 N/A TYR 128.A OH ASP 123.A O no hydrogen 2.635 N/A SER 129.A N ASP 127.A OD1 no hydrogen 2.966 N/A SER 129.A OG ASP 127.A OD1 no hydrogen 2.754 N/A GLN 131.A N TYR 128.A O no hydrogen 2.831 N/A VAL 133.A N PHE 117.A O no hydrogen 2.796 N/A GLN 135.A NE2 GLN 113.A O no hydrogen 2.792 N/A GLN 135.A NE2 CYS 155.A O no hydrogen 2.829 N/A LEU 136.A N TRP 114.A O no hydrogen 3.160 N/A GLN 137.A N ASP 134.A OD1 no hydrogen 3.181 N/A GLN 137.A NE2 ASP 141.A OD1 no hydrogen 2.854 N/A GLN 137.A NE2 ASP 141.A OD2 no hydrogen 3.304 N/A ARG 138.A N ASP 134.A O no hydrogen 3.025 N/A VAL 139.A N GLN 135.A O no hydrogen 2.940 N/A ILE 140.A N LEU 136.A O no hydrogen 3.162 N/A ASP 141.A N GLN 137.A O no hydrogen 2.797 N/A THR 142.A N ARG 138.A O no hydrogen 2.872 N/A THR 142.A OG1 ARG 138.A O no hydrogen 2.689 N/A ILE 143.A N VAL 139.A O no hydrogen 2.956 N/A LYS 144.A N ILE 140.A O no hydrogen 3.091 N/A THR 145.A N ASP 141.A O no hydrogen 2.957 N/A THR 145.A OG1 ASP 141.A O no hydrogen 3.264 N/A ASN 146.A N THR 142.A O no hydrogen 2.767 N/A ASP 149.A N ASN 146.A O no hydrogen 3.127 N/A ARG 151.A N ASP 149.A OD2 no hydrogen 2.950 N/A MET 154.A N CYS 174.A O no hydrogen 2.976 N/A CYS 155.A N GLN 135.A OE1 no hydrogen 2.735 N/A CYS 155.A SG TRP 157.A O no hydrogen 3.526 N/A CYS 155.A SG ALA 172.A O no hydrogen 3.767 N/A ALA 156.A N ALA 172.A O no hydrogen 2.846 N/A TRP 157.A N ALA 172.A O no hydrogen 3.177 N/A ASN 158.A ND2 GLN 113.A OE1 no hydrogen 3.241 N/A ARG 160.A NH2 ALA 119.A O no hydrogen 3.477 N/A ASP 161.A N ASN 158.A O no hydrogen 3.017 N/A ASP 161.A N ASN 158.A OD1 no hydrogen 3.341 N/A LEU 162.A N ASN 158.A O no hydrogen 3.008 N/A LEU 164.A N ASP 161.A O no hydrogen 2.888 N/A MET 165.A N LEU 162.A O no hydrogen 3.190 N/A ALA 166.A N LEU 106.A O no hydrogen 2.903 N/A CYS 170.A SG SER 191.A O no hydrogen 3.996 N/A HIS 171.A N TYR 110.A OH no hydrogen 3.265 N/A ALA 172.A N TYR 188.A O no hydrogen 3.060 N/A CYS 174.A N MET 154.A O no hydrogen 2.965 N/A CYS 174.A SG MET 154.A O no hydrogen 3.977 N/A GLN 175.A N GLN 186.A O no hydrogen 2.854 N/A PHE 176.A N ILE 152.A O no hydrogen 2.812 N/A TYR 177.A N SER 184.A O no hydrogen 2.879 N/A VAL 179.A N GLU 182.A O no hydrogen 3.171 N/A GLU 182.A N VAL 179.A O no hydrogen 2.920 N/A LEU 183.A N LYS 219.A O no hydrogen 2.838 N/A SER 184.A N TYR 177.A O no hydrogen 2.781 N/A CYS 185.A N ASP 222.A O no hydrogen 2.947 N/A CYS 185.A SG GLN 175.A O no hydrogen 3.998 N/A GLN 186.A N GLN 175.A O no hydrogen 2.725 N/A LEU 187.A N ILE 224.A O no hydrogen 2.844 N/A TYR 188.A N LEU 173.A O no hydrogen 2.838 N/A GLN 189.A N THR 226.A O no hydrogen 2.945 N/A GLN 189.A NE2 SER 191.A O no hydrogen 2.864 N/A GLN 189.A NE2 ASN 201.A OD1 no hydrogen 2.835 N/A ARG 190.A N CYS 170.A O no hydrogen 2.903 N/A ARG 190.A NE PRO 169.A O no hydrogen 2.701 N/A ARG 190.A NH2 PRO 168.A O no hydrogen 3.023 N/A ARG 190.A NH2 PRO 169.A O no hydrogen 3.553 N/A GLY 192.A N ASP 229.A O no hydrogen 2.953 N/A MET 194.A N HIS 231.A O no hydrogen 2.878 N/A LEU 196.A N ASP 193.A OD1 no hydrogen 3.151 N/A GLY 197.A N ASP 193.A O no hydrogen 2.958 N/A VAL 198.A N ASP 193.A O no hydrogen 2.862 N/A ASN 201.A N GLY 197.A O no hydrogen 2.900 N/A ILE 202.A N VAL 198.A O no hydrogen 2.740 N/A ALA 203.A N PRO 199.A O no hydrogen 3.050 N/A SER 204.A N PHE 200.A O no hydrogen 2.978 N/A SER 204.A OG GLU 62.A OE1 no hydrogen 3.552 N/A TYR 205.A N ASN 201.A O no hydrogen 3.450 N/A ALA 206.A N ILE 202.A O no hydrogen 3.060 N/A LEU 207.A N ALA 203.A O no hydrogen 2.873 N/A LEU 208.A N SER 204.A O no hydrogen 2.807 N/A THR 209.A N TYR 205.A O no hydrogen 2.989 N/A THR 209.A OG1 TYR 205.A O no hydrogen 2.574 N/A TYR 210.A N ALA 206.A O no hydrogen 3.016 N/A TYR 210.A OH LEU 42.A O no hydrogen 2.766 N/A TYR 210.A OH GLU 45.A O no hydrogen 2.749 N/A MET 211.A N LEU 207.A O no hydrogen 2.886 N/A ILE 212.A N LEU 208.A O no hydrogen 2.964 N/A ALA 213.A N THR 209.A O no hydrogen 2.855 N/A HIS 214.A N TYR 210.A O no hydrogen 2.987 N/A ILE 215.A N MET 211.A O no hydrogen 3.046 N/A THR 216.A N ILE 212.A O no hydrogen 2.925 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.756 N/A THR 216.A OG1 ALA 213.A O no hydrogen 3.461 N/A GLY 217.A N HIS 214.A O no hydrogen 3.452 N/A LEU 218.A N ALA 213.A O no hydrogen 2.846 N/A LYS 219.A N SER 181.A O no hydrogen 2.924 N/A GLY 221.A N LEU 183.A O no hydrogen 2.728 N/A ASP 222.A N SER 184.A OG no hydrogen 2.972 N/A PHE 223.A N TYR 40.A O no hydrogen 2.783 N/A ILE 224.A N CYS 185.A O no hydrogen 2.708 N/A HIS 225.A N ALA 38.A O no hydrogen 2.892 N/A HIS 225.A NE2 GLN 189.A OE1 no hydrogen 2.834 N/A THR 226.A N LEU 187.A O no hydrogen 3.029 N/A THR 226.A OG1 GLN 186.A OE1 no hydrogen 2.548 N/A LEU 227.A N MET 36.A O no hydrogen 2.825 N/A GLY 228.A N GLN 189.A O no hydrogen 2.801 N/A ASP 229.A N ARG 190.A O no hydrogen 2.865 N/A ALA 230.A N VAL 33.A O no hydrogen 2.814 N/A HIS 231.A N GLY 192.A O no hydrogen 2.946 N/A HIS 231.A ND1 ASP 229.A OD1 no hydrogen 3.098 N/A ILE 232.A N LEU 31.A O no hydrogen 2.820 N/A TYR 233.A OH ASP 24.A OD2 no hydrogen 3.135 N/A LEU 234.A N GLY 29.A O no hydrogen 3.283 N/A HIS 236.A N TYR 233.A O no hydrogen 2.847 N/A ILE 237.A N LEU 234.A O no hydrogen 3.120 N/A LEU 240.A N HIS 236.A O no hydrogen 3.043 N/A LYS 241.A N ILE 237.A O no hydrogen 2.873 N/A ILE 242.A N GLU 238.A O no hydrogen 3.254 N/A GLN 243.A N PRO 239.A O no hydrogen 3.130 N/A GLN 243.A NE2 THR 51.A OG1 no hydrogen 2.900 N/A LEU 244.A N LEU 240.A O no hydrogen 2.838 N/A GLN 245.A N ILE 242.A O no hydrogen 3.219 N/A ARG 246.A N GLN 243.A O no hydrogen 3.019 N/A ARG 246.A NH1 THR 51.A O no hydrogen 2.737 N/A ARG 246.A NH1 PRO 280.A O no hydrogen 3.083 N/A ARG 246.A NH2 PRO 280.A O no hydrogen 3.414 N/A ARG 249.A N THR 50.A OG1 no hydrogen 2.985 N/A ARG 249.A NH1 ASN 277.A O no hydrogen 2.774 N/A LYS 253.A N GLU 274.A O no hydrogen 2.903 N/A LYS 253.A NZ ASP 44.A O no hydrogen 3.183 N/A ARG 255.A N GLN 272.A O no hydrogen 2.782 N/A ARG 255.A NE GLU 274.A OE1 no hydrogen 2.729 N/A ARG 255.A NE GLU 274.A OE2 no hydrogen 3.337 N/A ARG 255.A NH2 GLU 274.A OE2 no hydrogen 2.810 N/A LEU 257.A N ASP 270.A O no hydrogen 2.718 N/A ARG 258.A NE ASP 270.A OD1 no hydrogen 2.599 N/A ARG 258.A NH2 ASP 265.A O no hydrogen 2.993 N/A ARG 258.A NH2 ASP 270.A OD2 no hydrogen 3.054 N/A VAL 260.A N HIS 214.A NE2 no hydrogen 3.089 N/A ASP 265.A N LYS 262.A O no hydrogen 2.861 N/A PHE 266.A N ILE 263.A O no hydrogen 3.519 N/A LYS 267.A N ASP 270.A OD2 no hydrogen 2.653 N/A ASP 270.A N LYS 267.A O no hydrogen 2.951 N/A PHE 271.A N ALA 268.A O no hydrogen 3.159 N/A GLN 272.A N ARG 255.A O no hydrogen 2.878 N/A GLU 274.A N LYS 253.A O no hydrogen 2.826 N/A TYR 276.A OH LEU 49.A O no hydrogen 2.731 N/A HIS 279.A N THR 50.A O no hydrogen 2.894 N/A HIS 279.A NE2 GLU 247.A O no hydrogen 2.911 N/A