Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3be2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N GLU 4.A OE1 no hydrogen 2.815 N/A ARG 5.A N HIS 2.A O no hydrogen 3.028 N/A LEU 6.A N ALA 3.A O no hydrogen 3.059 N/A TYR 8.A OH GLU 14.A OE1 no hydrogen 2.786 N/A ALA 10.A N TYR 8.A O no hydrogen 3.002 N/A SER 11.A OG ASP 9.A OD1 no hydrogen 2.699 N/A LYS 12.A N ASP 9.A O no hydrogen 3.021 N/A LYS 12.A N ASP 9.A OD1 no hydrogen 3.269 N/A TRP 13.A N ASP 9.A O no hydrogen 3.009 N/A GLU 14.A N ALA 10.A O no hydrogen 2.892 N/A PHE 15.A N ALA 87.A O no hydrogen 2.845 N/A ARG 17.A NE PRO 94.A O no hydrogen 3.005 N/A ARG 17.A NH1 LYS 90.A O no hydrogen 2.690 N/A ARG 17.A NH1 PRO 94.A O no hydrogen 2.992 N/A ARG 17.A NH2 LYS 90.A O no hydrogen 2.888 N/A ARG 19.A N PRO 16.A O no hydrogen 3.009 N/A LEU 20.A N ARG 17.A O no hydrogen 3.293 N/A LYS 21.A N ASP 38.A O no hydrogen 2.911 N/A GLY 23.A N GLU 36.A O no hydrogen 2.601 N/A LEU 26.A N VAL 34.A O no hydrogen 2.723 N/A GLY 27.A N VAL 34.A O no hydrogen 3.247 N/A GLY 29.A N GLY 32.A O no hydrogen 3.020 N/A GLY 32.A N GLY 29.A O no hydrogen 3.244 N/A GLN 33.A N MET 52.A O no hydrogen 3.171 N/A VAL 34.A N GLY 27.A O no hydrogen 2.767 N/A ILE 35.A N VAL 50.A O no hydrogen 2.891 N/A GLU 36.A N LYS 24.A O no hydrogen 2.850 N/A ALA 37.A N VAL 48.A O no hydrogen 2.971 N/A ASP 38.A N LYS 21.A O no hydrogen 2.983 N/A ALA 39.A N ARG 46.A O no hydrogen 2.745 N/A PHE 40.A N ARG 19.A O no hydrogen 3.101 N/A GLY 41.A N THR 44.A O no hydrogen 2.900 N/A ARG 46.A N ALA 39.A O no hydrogen 2.881 N/A ARG 46.A NH1 ASP 43.A OD1 no hydrogen 3.071 N/A THR 47.A OG1 ASP 38.A OD1 no hydrogen 2.878 N/A VAL 48.A N ALA 37.A O no hydrogen 2.663 N/A ALA 49.A N THR 99.A O no hydrogen 2.949 N/A VAL 50.A N ILE 35.A O no hydrogen 2.849 N/A LYS 51.A N VAL 97.A O no hydrogen 2.869 N/A LYS 51.A NZ GLU 68.A OE1 no hydrogen 2.769 N/A MET 52.A N GLN 33.A O no hydrogen 2.775 N/A LEU 53.A N LEU 95.A O no hydrogen 3.030 N/A LYS 54.A N PHE 31.A O no hydrogen 2.854 N/A THR 58.A N GLU 61.A OE2 no hydrogen 2.844 N/A THR 58.A OG1 SER 60.A OG no hydrogen 2.901 N/A SER 60.A OG THR 58.A OG1 no hydrogen 2.901 N/A GLU 61.A N THR 58.A OG1 no hydrogen 3.186 N/A HIS 62.A N THR 58.A O no hydrogen 2.887 N/A ARG 63.A N HIS 59.A O no hydrogen 2.785 N/A ALA 64.A N SER 60.A O no hydrogen 2.872 N/A LEU 65.A N GLU 61.A O no hydrogen 3.164 N/A MET 66.A N HIS 62.A O no hydrogen 3.146 N/A SER 67.A N ARG 63.A O no hydrogen 2.847 N/A GLU 68.A N ALA 64.A O no hydrogen 2.963 N/A LEU 69.A N LEU 65.A O no hydrogen 3.012 N/A LYS 70.A N MET 66.A O no hydrogen 2.962 N/A LYS 70.A NZ GLU 4.A O no hydrogen 2.951 N/A LYS 70.A NZ LEU 6.A O no hydrogen 2.774 N/A ILE 71.A N SER 67.A O no hydrogen 2.810 N/A LEU 72.A N GLU 68.A O no hydrogen 2.967 N/A ILE 73.A N LEU 69.A O no hydrogen 2.990 N/A HIS 74.A N LYS 70.A O no hydrogen 2.805 N/A ILE 75.A N ILE 71.A O no hydrogen 2.762 N/A GLY 76.A N LEU 72.A O no hydrogen 3.270 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 2.854 N/A ASN 80.A ND2 GLN 144.A OE1 no hydrogen 2.958 N/A ASN 80.A ND2 VAL 175.A O no hydrogen 2.969 N/A VAL 81.A N HIS 78.A O no hydrogen 3.255 N/A VAL 82.A N ILE 177.A O no hydrogen 3.005 N/A ASN 83.A N GLU 100.A OE2 no hydrogen 2.774 N/A ASN 83.A ND2 HIS 78.A O no hydrogen 3.183 N/A ASN 83.A ND2 VAL 81.A O no hydrogen 2.725 N/A LEU 85.A N ILE 98.A O no hydrogen 2.717 N/A GLY 86.A N ILE 98.A O no hydrogen 3.220 N/A ALA 87.A N TRP 13.A O no hydrogen 2.958 N/A CYS 88.A N MET 96.A O no hydrogen 2.888 N/A CYS 88.A SG PHE 15.A O no hydrogen 3.310 N/A THR 89.A N GLU 14.A OE1 no hydrogen 3.370 N/A THR 89.A N GLU 14.A OE2 no hydrogen 2.803 N/A THR 89.A OG1 GLU 14.A OE1 no hydrogen 2.806 N/A LYS 90.A N GLU 14.A OE2 no hydrogen 3.087 N/A MET 96.A N CYS 88.A O no hydrogen 2.941 N/A VAL 97.A N LYS 51.A O no hydrogen 2.885 N/A ILE 98.A N GLY 86.A O no hydrogen 2.845 N/A THR 99.A N ALA 49.A O no hydrogen 2.920 N/A THR 99.A OG1 GLU 100.A O no hydrogen 3.049 N/A GLU 100.A N ASN 83.A O no hydrogen 2.944 N/A LYS 103.A NZ GLU 171.A OE1 no hydrogen 3.499 N/A PHE 104.A N LEU 169.A O no hydrogen 3.046 N/A GLY 105.A N CYS 102.A O no hydrogen 3.335 N/A ASN 106.A ND2 THR 109.A OG1 no hydrogen 2.826 N/A LEU 107.A N ILE 167.A O no hydrogen 2.766 N/A THR 109.A N ASN 106.A OD1 no hydrogen 2.715 N/A TYR 110.A N ASN 106.A O no hydrogen 3.052 N/A LEU 111.A N LEU 107.A O no hydrogen 2.863 N/A ARG 112.A N SER 108.A O no hydrogen 3.165 N/A ARG 112.A NE GLY 216.A O no hydrogen 2.612 N/A ARG 112.A NH2 GLY 216.A O no hydrogen 3.115 N/A SER 113.A N THR 109.A O no hydrogen 3.190 N/A SER 113.A N TYR 110.A O no hydrogen 2.978 N/A SER 113.A OG TYR 110.A O no hydrogen 2.599 N/A LYS 114.A N LEU 111.A O no hydrogen 3.042 N/A LYS 114.A NZ GLU 117.A OE2 no hydrogen 2.646 N/A LYS 114.A NZ ASP 131.A O no hydrogen 2.803 N/A ARG 115.A NE LEU 215.A O no hydrogen 2.926 N/A ARG 115.A NH1 LEU 215.A O no hydrogen 3.146 N/A GLU 117.A N LYS 114.A O no hydrogen 2.892 N/A VAL 119.A N LEU 133.A O no hydrogen 3.094 N/A LYS 122.A NZ TYR 129.A O no hydrogen 3.478 N/A GLU 126.A N GLU 126.A OE1 no hydrogen 2.663 N/A TYR 129.A N GLU 126.A O no hydrogen 2.946 N/A LYS 130.A N ASP 127.A O no hydrogen 3.253 N/A PHE 132.A N TYR 129.A O no hydrogen 3.004 N/A LEU 133.A N GLU 117.A O no hydrogen 2.866 N/A THR 134.A N HIS 137.A ND1 no hydrogen 3.053 N/A THR 134.A OG1 HIS 137.A ND1 no hydrogen 2.691 N/A LEU 135.A N PRO 120.A O no hydrogen 2.973 N/A HIS 137.A N THR 134.A OG1 no hydrogen 3.395 N/A HIS 137.A ND1 THR 134.A OG1 no hydrogen 2.691 N/A LEU 138.A N THR 134.A O no hydrogen 3.174 N/A ILE 139.A N LEU 135.A O no hydrogen 2.875 N/A CYS 140.A N GLU 136.A O no hydrogen 2.907 N/A TYR 141.A N HIS 137.A O no hydrogen 2.842 N/A SER 142.A N LEU 138.A O no hydrogen 3.150 N/A SER 142.A OG LEU 138.A O no hydrogen 2.730 N/A PHE 143.A N ILE 139.A O no hydrogen 2.791 N/A GLN 144.A N CYS 140.A O no hydrogen 2.965 N/A GLN 144.A NE2 CYS 140.A O no hydrogen 3.450 N/A GLN 144.A NE2 ASN 173.A O no hydrogen 2.824 N/A VAL 145.A N TYR 141.A O no hydrogen 3.020 N/A ALA 146.A N SER 142.A O no hydrogen 3.032 N/A LYS 147.A N PHE 143.A O no hydrogen 2.922 N/A GLY 148.A N GLN 144.A O no hydrogen 2.867 N/A MET 149.A N VAL 145.A O no hydrogen 2.815 N/A GLU 150.A N ALA 146.A O no hydrogen 2.795 N/A PHE 151.A N LYS 147.A O no hydrogen 3.025 N/A LEU 152.A N GLY 148.A O no hydrogen 2.989 N/A ALA 153.A N MET 149.A O no hydrogen 2.847 N/A SER 154.A N GLU 150.A O no hydrogen 3.007 N/A SER 154.A OG PHE 151.A O no hydrogen 2.453 N/A ARG 155.A N PHE 151.A O no hydrogen 3.156 N/A ARG 155.A N LEU 152.A O no hydrogen 3.055 N/A ARG 155.A NE HIS 74.A O no hydrogen 3.384 N/A ARG 155.A NH1 HIS 74.A O no hydrogen 3.042 N/A LYS 156.A N ALA 153.A O no hydrogen 2.846 N/A CYS 157.A N LEU 152.A O no hydrogen 2.954 N/A CYS 157.A SG ARG 155.A O no hydrogen 3.783 N/A HIS 159.A N ASP 201.A OD2 no hydrogen 2.769 N/A HIS 159.A NE2 CYS 178.A O no hydrogen 2.769 N/A ARG 160.A N ASP 201.A OD1 no hydrogen 2.948 N/A ASP 161.A N HIS 159.A ND1 no hydrogen 3.019 N/A ALA 164.A N GLU 211.A OE1 no hydrogen 2.858 N/A ARG 165.A NH1 ASP 161.A OD1 no hydrogen 3.040 N/A ASN 166.A N ALA 163.A O no hydrogen 2.862 N/A ASN 166.A ND2 ASP 161.A O no hydrogen 2.727 N/A ASN 166.A ND2 ASP 161.A OD2 no hydrogen 3.103 N/A ILE 167.A N ALA 164.A O no hydrogen 3.029 N/A LEU 168.A N LYS 176.A O no hydrogen 2.856 N/A LEU 169.A N GLY 105.A O no hydrogen 2.894 N/A SER 170.A N VAL 174.A O no hydrogen 2.854 N/A GLU 171.A N SER 170.A OG no hydrogen 2.679 N/A VAL 174.A N GLU 171.A O no hydrogen 3.121 N/A VAL 175.A N GLN 144.A OE1 no hydrogen 3.054 N/A LYS 176.A N LEU 168.A O no hydrogen 2.800 N/A LYS 176.A NZ LEU 79.A O no hydrogen 2.863 N/A LYS 176.A NZ GLU 100.A OE1 no hydrogen 3.136 N/A LYS 176.A NZ GLU 100.A OE2 no hydrogen 2.931 N/A ILE 177.A N ASN 80.A O no hydrogen 2.843 N/A CYS 178.A N ASN 166.A O no hydrogen 2.849 N/A CYS 178.A SG LYS 176.A O no hydrogen 3.815 N/A PHE 180.A N ASN 166.A OD1 no hydrogen 3.383 N/A GLY 181.A N ASP 179.A OD2 no hydrogen 3.012 N/A LYS 184.A NZ SER 218.A OG no hydrogen 2.586 N/A LYS 184.A NZ PRO 219.A O no hydrogen 3.102 N/A TRP 185.A N PRO 182.A O no hydrogen 2.895 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 2.876 N/A MET 186.A N LEU 183.A O no hydrogen 3.154 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.803 N/A THR 190.A N ALA 187.A O no hydrogen 2.929 N/A THR 190.A OG1 VAL 195.A O no hydrogen 2.703 N/A ILE 191.A N ALA 187.A O no hydrogen 2.947 N/A PHE 192.A N PRO 188.A O no hydrogen 2.974 N/A ASP 193.A N GLU 189.A O no hydrogen 3.003 N/A ARG 194.A N THR 190.A O no hydrogen 2.912 N/A VAL 195.A N GLU 189.A O no hydrogen 3.253 N/A THR 197.A N SER 200.A OG no hydrogen 2.783 N/A GLN 199.A N THR 197.A OG1 no hydrogen 3.022 N/A GLN 199.A NE2 PRO 261.A O no hydrogen 3.226 N/A GLN 199.A NE2 PRO 265.A O no hydrogen 3.261 N/A SER 200.A N THR 197.A O no hydrogen 2.911 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.290 N/A SER 200.A OG THR 197.A O no hydrogen 2.717 N/A ASP 201.A N THR 197.A O no hydrogen 3.143 N/A VAL 202.A N ILE 198.A O no hydrogen 3.086 N/A TRP 203.A N GLN 199.A O no hydrogen 3.377 N/A SER 204.A N SER 200.A O no hydrogen 3.103 N/A SER 204.A OG TRP 185.A O no hydrogen 2.601 N/A SER 204.A OG SER 200.A O no hydrogen 3.305 N/A PHE 205.A N ASP 201.A O no hydrogen 2.795 N/A GLY 206.A N VAL 202.A O no hydrogen 2.984 N/A VAL 207.A N TRP 203.A O no hydrogen 3.238 N/A LEU 208.A N SER 204.A O no hydrogen 2.932 N/A LEU 209.A N PHE 205.A O no hydrogen 2.853 N/A TRP 210.A N GLY 206.A O no hydrogen 3.140 N/A TRP 210.A NE1 ARG 240.A O no hydrogen 2.989 N/A GLU 211.A N VAL 207.A O no hydrogen 2.878 N/A ILE 212.A N LEU 208.A O no hydrogen 2.851 N/A PHE 213.A N LEU 209.A O no hydrogen 2.930 N/A SER 214.A OG TRP 210.A O no hydrogen 2.942 N/A SER 214.A OG GLU 211.A O no hydrogen 3.032 N/A LEU 215.A N ILE 212.A O no hydrogen 3.096 N/A GLY 216.A N GLU 211.A O no hydrogen 2.807 N/A ALA 217.A N SER 214.A OG no hydrogen 3.046 N/A VAL 223.A N TYR 220.A O no hydrogen 3.260 N/A GLU 228.A N ASP 226.A OD2 no hydrogen 3.007 N/A PHE 229.A N ASP 226.A OD2 no hydrogen 3.271 N/A CYS 230.A N ASP 226.A O no hydrogen 3.126 N/A CYS 230.A SG ASP 226.A O no hydrogen 3.741 N/A ARG 231.A N GLU 227.A O no hydrogen 2.946 N/A ARG 232.A N GLU 228.A O no hydrogen 3.045 N/A LEU 233.A N PHE 229.A O no hydrogen 2.908 N/A LYS 234.A N CYS 230.A O no hydrogen 2.965 N/A GLU 235.A N ARG 231.A O no hydrogen 3.019 N/A GLY 236.A N LEU 233.A O no hydrogen 2.955 N/A THR 237.A N ARG 232.A O no hydrogen 2.926 N/A THR 237.A OG1 ARG 232.A O no hydrogen 3.389 N/A ARG 238.A NE TRP 257.A O no hydrogen 2.917 N/A ARG 238.A NH1 LEU 233.A O no hydrogen 2.980 N/A ARG 238.A NH1 THR 237.A O no hydrogen 2.878 N/A ARG 238.A NH2 TRP 257.A O no hydrogen 2.931 N/A TYR 244.A N PHE 213.A O no hydrogen 2.897 N/A THR 245.A N PRO 242.A O no hydrogen 3.430 N/A THR 245.A OG1 THR 246.A O no hydrogen 2.784 N/A MET 249.A N THR 246.A OG1 no hydrogen 3.175 N/A TYR 250.A N THR 246.A O no hydrogen 3.090 N/A TYR 250.A OH MET 239.A O no hydrogen 2.700 N/A GLN 251.A N PRO 247.A O no hydrogen 3.069 N/A GLN 251.A NE2 ASP 255.A OD1 no hydrogen 2.990 N/A THR 252.A N GLU 248.A O no hydrogen 3.056 N/A THR 252.A OG1 GLU 248.A O no hydrogen 2.933 N/A THR 252.A OG1 HIS 273.A NE2 no hydrogen 3.309 N/A MET 253.A N MET 249.A O no hydrogen 3.060 N/A LEU 254.A N TYR 250.A O no hydrogen 3.035 N/A ASP 255.A N GLN 251.A O no hydrogen 2.846 N/A CYS 256.A N THR 252.A O no hydrogen 2.921 N/A CYS 256.A SG THR 252.A O no hydrogen 3.434 N/A TRP 257.A N MET 253.A O no hydrogen 2.997 N/A TRP 257.A N LEU 254.A O no hydrogen 3.082 N/A HIS 258.A N ASP 255.A O no hydrogen 3.186 N/A GLU 260.A N HIS 258.A ND1 no hydrogen 2.928 N/A GLN 263.A N GLU 260.A O no hydrogen 2.855 N/A GLN 263.A NE2 SER 262.A OG no hydrogen 3.051 N/A ARG 264.A N PRO 261.A O no hydrogen 3.243 N/A ARG 264.A NE HIS 258.A O no hydrogen 2.744 N/A ARG 264.A NH1 GLU 189.A OE2 no hydrogen 2.751 N/A ARG 264.A NH1 GLN 199.A O no hydrogen 3.026 N/A ARG 264.A NH2 GLU 189.A OE1 no hydrogen 2.865 N/A ARG 264.A NH2 GLU 189.A OE2 no hydrogen 3.512 N/A ARG 264.A NH2 HIS 258.A O no hydrogen 3.175 N/A THR 266.A N GLU 269.A OE1 no hydrogen 2.988 N/A SER 268.A OG GLU 150.A OE2 no hydrogen 2.811 N/A GLU 269.A N THR 266.A OG1 no hydrogen 3.101 N/A LEU 270.A N THR 266.A O no hydrogen 2.946 N/A VAL 271.A N PHE 267.A O no hydrogen 2.805 N/A GLU 272.A N SER 268.A O no hydrogen 3.135 N/A HIS 273.A N GLU 269.A O no hydrogen 2.916 N/A LEU 274.A N LEU 270.A O no hydrogen 2.820 N/A GLY 275.A N VAL 271.A O no hydrogen 2.980 N/A ASN 276.A N GLU 272.A O no hydrogen 3.069 N/A LEU 277.A N HIS 273.A O no hydrogen 3.005 N/A LEU 278.A N LEU 274.A O no hydrogen 2.863 N/A GLN 279.A N GLY 275.A O no hydrogen 2.886 N/A ALA 280.A N ASN 276.A O no hydrogen 2.961 N/A ASN 281.A N LEU 277.A O no hydrogen 3.036 N/A ALA 282.A N LEU 278.A O no hydrogen 2.824 N/A GLN 283.A N GLN 279.A O no hydrogen 3.046 N/A ARG 286.A NH1 GLN 283.A O no hydrogen 2.931 N/A HIS 287.A N ASP 285.A OD1 no hydrogen 2.992 N/A HIS 288.A NE2 GLU 126.A OE2 no hydrogen 2.628 N/A HIS 289.A N ARG 286.A O no hydrogen 2.792 N/A