Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2r3i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 2.A OE1 no hydrogen 3.539 N/A GLU 2.A N GLU 2.A OE1 no hydrogen 2.863 N/A PHE 4.A N MET 1.A O no hydrogen 3.026 N/A GLN 5.A N ARG 22.A O no hydrogen 2.800 N/A VAL 7.A N LYS 20.A O no hydrogen 2.724 N/A GLU 8.A N LYS 20.A O no hydrogen 3.379 N/A ILE 10.A N VAL 18.A O no hydrogen 2.895 N/A GLY 13.A N GLY 16.A O no hydrogen 2.847 N/A TYR 15.A OH GLY 146.A O no hydrogen 2.657 N/A VAL 18.A N GLY 11.A O no hydrogen 2.983 N/A TYR 19.A N LEU 32.A O.A no hydrogen 2.923 N/A TYR 19.A N LEU 32.A O.B no hydrogen 2.869 N/A LYS 20.A N GLU 8.A O no hydrogen 2.841 N/A ALA 21.A N VAL 30.A O no hydrogen 2.902 N/A ARG 22.A N GLN 5.A O no hydrogen 2.798 N/A ASN 23.A N GLU 28.A O no hydrogen 2.742 N/A LYS 24.A N ASN 3.A O no hydrogen 2.763 N/A LYS 24.A NZ GLU 2.A O no hydrogen 2.955 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 2.512 N/A GLY 27.A N ASN 23.A O no hydrogen 2.714 N/A VAL 30.A N ALA 21.A O no hydrogen 2.842 N/A ALA 31.A N PHE 73.A O no hydrogen 2.891 N/A LEU 32.A N.A TYR 19.A O no hydrogen 2.784 N/A LEU 32.A N.B TYR 19.A O no hydrogen 2.758 N/A LYS 33.A N LEU 71.A O no hydrogen 2.823 N/A LYS 33.A NZ ASP 138.A OD1 no hydrogen 2.722 N/A LYS 33.A NZ ASP 138.A OD2 no hydrogen 3.321 N/A LYS 34.A N VAL 17.A O no hydrogen 3.173 N/A ILE 35.A N LEU 69.A O no hydrogen 2.898 N/A ARG 36.A N TYR 15.A O no hydrogen 2.662 N/A ALA 41.A N PRO 38.A O no hydrogen 2.976 N/A ILE 42.A N PRO 38.A O no hydrogen 3.226 N/A ARG 43.A N SER 39.A O no hydrogen 2.923 N/A GLU 44.A N THR 40.A O no hydrogen 3.078 N/A ILE 45.A N ALA 41.A O no hydrogen 2.945 N/A SER 46.A N.A ILE 42.A O no hydrogen 2.870 N/A SER 46.A N.B ILE 42.A O no hydrogen 2.873 N/A SER 46.A OG.A ILE 42.A O no hydrogen 3.122 N/A SER 46.A OG.A ARG 43.A O no hydrogen 2.585 N/A SER 46.A OG.B ILE 42.A O no hydrogen 2.711 N/A LEU 47.A N ARG 43.A O no hydrogen 3.126 N/A LEU 48.A N ILE 45.A O no hydrogen 2.934 N/A LYS 49.A N SER 46.A O.A no hydrogen 3.241 N/A LYS 49.A N SER 46.A O.B no hydrogen 3.216 N/A GLU 50.A N LEU 47.A O no hydrogen 3.247 N/A LEU 51.A N LEU 48.A O no hydrogen 3.077 N/A ASN 52.A ND2 LYS 49.A O no hydrogen 3.381 N/A HIS 53.A NE2 ASN 55.A OD1 no hydrogen 3.255 N/A ASN 55.A ND2 GLN 103.A OE1 no hydrogen 3.197 N/A ASN 55.A ND2 ILE 134.A O no hydrogen 2.893 N/A ILE 56.A N HIS 53.A O no hydrogen 3.054 N/A VAL 57.A N LEU 136.A O no hydrogen 2.927 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 2.927 N/A LEU 60.A N VAL 72.A O no hydrogen 2.713 N/A ASP 61.A N VAL 72.A O no hydrogen 3.302 N/A ILE 63.A N TYR 70.A O no hydrogen 2.859 N/A HIS 64.A ND1 LYS 68.A O no hydrogen 3.276 N/A THR 65.A N LYS 68.A O no hydrogen 3.026 N/A LYS 68.A N THR 65.A O no hydrogen 2.816 N/A TYR 70.A N ILE 63.A O no hydrogen 2.784 N/A LEU 71.A N LYS 33.A O no hydrogen 2.868 N/A VAL 72.A N ASP 61.A O no hydrogen 2.921 N/A PHE 73.A N ALA 31.A O no hydrogen 2.849 N/A GLU 74.A N LYS 58.A O no hydrogen 2.916 N/A LEU 80.A N LEU 126.A O no hydrogen 2.782 N/A LYS 82.A N ASP 79.A OD1 no hydrogen 2.726 N/A PHE 83.A N ASP 79.A O no hydrogen 3.161 N/A MET 84.A N LEU 80.A O no hydrogen 2.759 N/A ASP 85.A N LYS 81.A O no hydrogen 2.903 N/A ALA 86.A N LYS 82.A O no hydrogen 2.974 N/A SER 87.A N PHE 83.A O no hydrogen 2.950 N/A SER 87.A N MET 84.A O no hydrogen 3.186 N/A SER 87.A OG PHE 83.A O no hydrogen 2.807 N/A ALA 88.A N ASP 85.A O no hydrogen 3.467 N/A GLY 91.A N SER 87.A O no hydrogen 2.496 N/A LEU 96.A N PRO 93.A O no hydrogen 2.895 N/A ILE 97.A N PRO 93.A O no hydrogen 2.980 N/A LYS 98.A N LEU 94.A O no hydrogen 2.796 N/A LYS 98.A NZ PHE 277.A O no hydrogen 3.067 N/A LYS 98.A NZ ASP 280.A OD1 no hydrogen 2.707 N/A LYS 98.A NZ ASP 280.A OD2 no hydrogen 3.559 N/A SER 99.A N PRO 95.A O no hydrogen 2.957 N/A TYR 100.A N LEU 96.A O no hydrogen 2.856 N/A LEU 101.A N ILE 97.A O no hydrogen 2.863 N/A PHE 102.A N LYS 98.A O no hydrogen 2.914 N/A GLN 103.A N SER 99.A O no hydrogen 2.973 N/A GLN 103.A NE2 SER 99.A O no hydrogen 3.446 N/A GLN 103.A NE2 SER 99.A OG no hydrogen 3.026 N/A GLN 103.A NE2 GLY 132.A O no hydrogen 2.947 N/A LEU 104.A N TYR 100.A O no hydrogen 2.862 N/A LEU 105.A N LEU 101.A O no hydrogen 2.873 N/A GLN 106.A N PHE 102.A O no hydrogen 3.044 N/A GLN 106.A NE2 PHE 102.A O no hydrogen 3.534 N/A GLY 107.A N GLN 103.A O no hydrogen 3.049 N/A LEU 108.A N.A LEU 104.A O no hydrogen 2.915 N/A LEU 108.A N.B LEU 104.A O no hydrogen 2.925 N/A ALA 109.A N LEU 105.A O no hydrogen 2.792 N/A PHE 110.A N GLN 106.A O no hydrogen 3.020 N/A CYS 111.A N GLY 107.A O no hydrogen 3.042 N/A CYS 111.A SG GLY 107.A O no hydrogen 3.582 N/A HIS 112.A N LEU 108.A O.A no hydrogen 2.748 N/A HIS 112.A N LEU 108.A O.B no hydrogen 2.738 N/A HIS 112.A NE2 ASP 177.A OD2 no hydrogen 2.870 N/A SER 113.A N ALA 109.A O no hydrogen 2.976 N/A SER 113.A N PHE 110.A O no hydrogen 3.201 N/A SER 113.A OG PHE 110.A O no hydrogen 2.679 N/A HIS 114.A N CYS 111.A O no hydrogen 2.888 N/A HIS 114.A ND1 PHE 110.A O no hydrogen 3.234 N/A ARG 115.A N HIS 112.A O no hydrogen 2.891 N/A VAL 116.A N CYS 111.A O no hydrogen 3.111 N/A HIS 118.A N ASP 177.A OD2 no hydrogen 2.866 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.764 N/A ARG 119.A N.A ASP 177.A OD1 no hydrogen 2.767 N/A ARG 119.A N.B ASP 177.A OD1 no hydrogen 2.720 N/A ARG 119.A NE.A ARG 119.A O.A no hydrogen 2.850 N/A ARG 119.A NH1.A TYR 172.A OH no hydrogen 3.529 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 2.971 N/A LYS 122.A N ASN 125.A OD1 no hydrogen 3.003 N/A LYS 122.A NZ ASP 120.A OD2 no hydrogen 2.798 N/A GLN 124.A N.A GLN 124.A OE1.A no hydrogen 2.837 N/A ASN 125.A N LYS 122.A O no hydrogen 2.962 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.948 N/A LEU 126.A N PRO 123.A O no hydrogen 3.236 N/A LEU 127.A N LYS 135.A O no hydrogen 2.824 N/A ILE 128.A N GLN 78.A O no hydrogen 2.846 N/A ASN 129.A N ALA 133.A O no hydrogen 3.277 N/A GLU 131.A N ASN 129.A OD1 no hydrogen 2.953 N/A ALA 133.A N ASN 129.A OD1 no hydrogen 3.145 N/A ILE 134.A N GLN 103.A OE1 no hydrogen 3.158 N/A LYS 135.A N LEU 127.A O no hydrogen 2.763 N/A LYS 135.A NZ GLU 74.A OE1 no hydrogen 3.535 N/A LYS 135.A NZ GLU 74.A OE2 no hydrogen 2.654 N/A LEU 136.A N ASN 55.A O no hydrogen 2.864 N/A ALA 137.A N ASN 125.A O no hydrogen 2.847 N/A GLY 140.A N LEU 117.A O no hydrogen 3.042 N/A LEU 141.A N ASP 138.A O no hydrogen 3.297 N/A PHE 145.A N LEU 141.A O no hydrogen 2.806 N/A GLY 146.A N ALA 142.A O no hydrogen 2.694 N/A ARG 150.A NH1 HIS 154.A O no hydrogen 3.126 N/A THR 151.A N GLU 155.A O no hydrogen 2.790 N/A THR 153.A N THR 151.A OG1 no hydrogen 3.109 N/A THR 153.A OG1 THR 151.A OG1 no hydrogen 2.883 N/A HIS 154.A N THR 151.A O no hydrogen 2.867 N/A GLU 155.A N THR 153.A OG1 no hydrogen 3.387 N/A VAL 157.A N VAL 149.A O no hydrogen 3.052 N/A TRP 160.A N THR 158.A OG1 no hydrogen 3.280 N/A TYR 161.A OH GLU 187.A OE1 no hydrogen 2.622 N/A ARG 162.A N LEU 159.A O no hydrogen 3.077 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.746 N/A ILE 166.A N ALA 163.A O no hydrogen 3.047 N/A LEU 167.A N ALA 163.A O no hydrogen 3.261 N/A LEU 168.A N PRO 164.A O no hydrogen 2.836 N/A GLY 169.A N ILE 166.A O no hydrogen 3.045 N/A ALA 175.A N SER 173.A OG no hydrogen 3.021 N/A VAL 176.A N SER 173.A O no hydrogen 2.994 N/A ASP 177.A N THR 174.A O no hydrogen 3.030 N/A TRP 179.A N ALA 175.A O no hydrogen 3.112 N/A SER 180.A N VAL 176.A O no hydrogen 3.169 N/A SER 180.A OG TYR 161.A O no hydrogen 2.701 N/A SER 180.A OG VAL 176.A O no hydrogen 3.142 N/A LEU 181.A N ASP 177.A O no hydrogen 2.942 N/A GLY 182.A N ILE 178.A O no hydrogen 2.851 N/A CYS 183.A N TRP 179.A O no hydrogen 2.990 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.550 N/A ILE 184.A N SER 180.A O no hydrogen 3.025 N/A PHE 185.A N LEU 181.A O no hydrogen 2.843 N/A ALA 186.A N GLY 182.A O no hydrogen 2.992 N/A GLU 187.A N CYS 183.A O no hydrogen 3.071 N/A MET 188.A N ILE 184.A O no hydrogen 2.908 N/A VAL 189.A N PHE 185.A O no hydrogen 3.101 N/A THR 190.A N ALA 186.A O no hydrogen 2.914 N/A THR 190.A OG1 ALA 186.A O no hydrogen 2.977 N/A ARG 191.A N GLU 187.A O no hydrogen 2.836 N/A ARG 191.A NH1 ALA 88.A O no hydrogen 3.093 N/A ARG 192.A N.A THR 190.A OG1 no hydrogen 3.359 N/A ARG 192.A N.B THR 190.A OG1 no hydrogen 3.415 N/A GLY 197.A N PHE 195.A O no hydrogen 2.893 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 3.154 N/A ASP 202.A N SER 199.A OG no hydrogen 3.082 N/A GLN 203.A N SER 199.A O no hydrogen 2.894 N/A GLN 203.A NE2 TRP 160.A O no hydrogen 3.257 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 2.927 N/A LEU 204.A N.A GLU 200.A O no hydrogen 2.969 N/A LEU 204.A N.B GLU 200.A O no hydrogen 3.023 N/A PHE 205.A N ILE 201.A O no hydrogen 2.791 N/A ARG 206.A N ASP 202.A O no hydrogen 2.872 N/A ARG 206.A NE ASP 202.A OD2 no hydrogen 2.997 N/A ILE 207.A N GLN 203.A O no hydrogen 3.055 N/A PHE 208.A N LEU 204.A O.A no hydrogen 2.974 N/A PHE 208.A N LEU 204.A O.B no hydrogen 2.808 N/A ARG 209.A N.A PHE 205.A O no hydrogen 2.875 N/A ARG 209.A N.B PHE 205.A O no hydrogen 2.886 N/A THR 210.A N ARG 206.A O no hydrogen 3.321 N/A THR 210.A N ILE 207.A O no hydrogen 3.246 N/A LEU 211.A N ILE 207.A O no hydrogen 2.846 N/A GLY 212.A N PHE 208.A O no hydrogen 2.744 N/A THR 213.A N TRP 235.A O no hydrogen 2.987 N/A THR 213.A OG1 PRO 233.A O no hydrogen 2.694 N/A VAL 217.A N ASP 215.A OD1 no hydrogen 3.012 N/A VAL 218.A N ASP 215.A OD1 no hydrogen 3.091 N/A TRP 219.A N ASP 215.A O no hydrogen 2.886 N/A GLY 221.A N GLU 216.A OE1 no hydrogen 2.725 N/A VAL 222.A N TRP 219.A O no hydrogen 2.906 N/A THR 223.A N GLU 216.A OE2 no hydrogen 2.996 N/A THR 223.A OG1 GLU 216.A OE2 no hydrogen 2.617 N/A SER 224.A N.A GLY 221.A O no hydrogen 2.993 N/A SER 224.A N.B GLY 221.A O no hydrogen 2.996 N/A SER 224.A OG.A GLY 221.A O no hydrogen 2.812 N/A MET 225.A N.A VAL 222.A O no hydrogen 3.221 N/A MET 225.A N.B VAL 222.A O no hydrogen 3.092 N/A ASP 227.A N LEU 168.A O no hydrogen 2.922 N/A TYR 228.A N MET 225.A O.A no hydrogen 3.283 N/A TYR 228.A N MET 225.A O.B no hydrogen 3.001 N/A TYR 228.A N MET 225.A O.C no hydrogen 3.221 N/A PHE 232.A N LYS 229.A O no hydrogen 2.920 N/A LYS 234.A NZ TYR 228.A OH no hydrogen 3.286 N/A LYS 234.A NZ PHE 232.A O no hydrogen 3.143 N/A TRP 235.A N THR 213.A OG1 no hydrogen 2.890 N/A ARG 237.A NH1 LEU 211.A O no hydrogen 2.948 N/A GLN 238.A N THR 210.A O no hydrogen 2.796 N/A LYS 242.A N ASP 239.A O no hydrogen 2.889 N/A VAL 243.A N ASP 239.A O no hydrogen 3.303 N/A VAL 244.A N PHE 240.A O no hydrogen 2.928 N/A LEU 247.A N VAL 244.A O no hydrogen 2.921 N/A GLY 251.A N ASP 248.A OD1 no hydrogen 2.916 N/A ARG 252.A N ASP 248.A O no hydrogen 2.877 N/A ARG 252.A NE GLU 249.A OE1 no hydrogen 3.020 N/A ARG 252.A NH2 GLU 249.A OE1 no hydrogen 2.782 N/A SER 253.A N GLU 249.A O no hydrogen 2.956 N/A SER 253.A OG HIS 275.A NE2 no hydrogen 3.134 N/A LEU 254.A N ASP 250.A O no hydrogen 3.011 N/A LEU 255.A N GLY 251.A O no hydrogen 2.842 N/A SER 256.A N.A ARG 252.A O no hydrogen 2.893 N/A SER 256.A N.B ARG 252.A O no hydrogen 2.957 N/A SER 256.A OG.A ARG 252.A O no hydrogen 3.455 N/A SER 256.A OG.A SER 253.A O no hydrogen 2.661 N/A GLN 257.A N.A SER 253.A O no hydrogen 3.098 N/A GLN 257.A N.B SER 253.A O no hydrogen 3.187 N/A GLN 257.A NE2.A SER 253.A O no hydrogen 3.376 N/A MET 258.A N LEU 254.A O no hydrogen 2.971 N/A LEU 259.A N LEU 255.A O no hydrogen 2.960 N/A LEU 259.A N SER 256.A O.B no hydrogen 3.125 N/A TYR 261.A OH GLY 212.A O no hydrogen 2.647 N/A ASN 264.A N ASP 262.A OD1 no hydrogen 2.958 N/A LYS 265.A N ASP 262.A O no hydrogen 2.937 N/A ARG 266.A N ASP 262.A O no hydrogen 2.988 N/A ARG 266.A NE HIS 260.A O no hydrogen 2.806 N/A ARG 266.A NH1 GLU 165.A OE1 no hydrogen 3.396 N/A ARG 266.A NH1 GLU 165.A OE2 no hydrogen 2.788 N/A ARG 266.A NH1 ALA 175.A O no hydrogen 2.969 N/A ARG 266.A NH2 GLU 165.A OE1 no hydrogen 2.859 N/A ARG 266.A NH2 GLU 165.A OE2 no hydrogen 3.557 N/A ARG 266.A NH2 HIS 260.A O no hydrogen 3.120 N/A ARG 266.A NH2 TYR 261.A O no hydrogen 3.012 N/A ILE 267.A N GLN 257.A O.A no hydrogen 3.145 N/A ILE 267.A N GLN 257.A O.B no hydrogen 2.970 N/A ALA 271.A N SER 268.A OG no hydrogen 2.963 N/A ALA 272.A N SER 268.A O no hydrogen 2.857 N/A LEU 273.A N ALA 269.A O no hydrogen 3.025 N/A ALA 274.A N ALA 271.A O no hydrogen 3.082 N/A HIS 275.A N ALA 272.A O no hydrogen 3.005 N/A HIS 275.A NE2 SER 253.A OG no hydrogen 3.134 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 2.945 N/A PHE 278.A N HIS 275.A O no hydrogen 2.987 N/A GLN 279.A N PRO 276.A O no hydrogen 2.972 N/A VAL 281.A N PHE 278.A O no hydrogen 3.107 N/A