Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 103.A O no hydrogen 2.933 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.088 N/A MET 5.A N CYS 101.A O no hydrogen 2.904 N/A LYS 6.A N TYR 27.A O no hydrogen 2.913 N/A TYR 7.A N TYR 99.A O no hydrogen 2.854 N/A PHE 8.A N VAL 25.A O no hydrogen 2.915 N/A TYR 9.A N LYS 97.A O no hydrogen 2.867 N/A THR 10.A N ILE 23.A O no hydrogen 2.896 N/A SER 11.A N ILE 95.A O no hydrogen 2.893 N/A VAL 12.A N ARG 21.A O no hydrogen 2.910 N/A SER 13.A N HIS 93.A O no hydrogen 3.034 N/A SER 13.A OG HIS 93.A O no hydrogen 3.347 N/A ARG 14.A NE GLU 19.A O no hydrogen 3.240 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.429 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.769 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 2.795 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.310 N/A ARG 17.A N ARG 14.A O no hydrogen 2.763 N/A ARG 21.A N VAL 12.A O no hydrogen 2.895 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.206 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.758 N/A PHE 22.A N SER 38.A OG no hydrogen 2.803 N/A ILE 23.A N THR 10.A O no hydrogen 2.899 N/A SER 24.A N PHE 36.A O no hydrogen 2.849 N/A VAL 25.A N PHE 8.A O no hydrogen 2.926 N/A GLY 26.A N VAL 34.A O no hydrogen 3.092 N/A TYR 27.A N LYS 6.A O no hydrogen 2.876 N/A VAL 28.A N THR 31.A O no hydrogen 2.895 N/A ASP 29.A N SER 4.A O no hydrogen 2.839 N/A ASP 30.A N TYR 209.A OH no hydrogen 3.399 N/A THR 31.A N VAL 28.A O no hydrogen 2.911 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.655 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.513 N/A PHE 33.A N GLY 26.A O no hydrogen 2.907 N/A ARG 35.A N GLU 46.A O no hydrogen 3.116 N/A PHE 36.A N SER 24.A O no hydrogen 2.800 N/A SER 38.A N PHE 22.A O no hydrogen 3.018 N/A SER 38.A OG PHE 22.A O no hydrogen 3.445 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.844 N/A ALA 40.A N ASP 37.A O no hydrogen 2.926 N/A GLU 45.A N THR 64.A OG1 no hydrogen 3.001 N/A GLU 46.A N ARG 35.A O no hydrogen 2.964 N/A ARG 48.A N PHE 33.A O no hydrogen 2.738 N/A ARG 48.A NH1 PRO 47.A O no hydrogen 2.907 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 3.060 N/A VAL 52.A N ALA 49.A O no hydrogen 3.281 N/A GLU 55.A N VAL 52.A O no hydrogen 3.336 N/A GLU 58.A N GLU 58.A OE1 no hydrogen 2.689 N/A TYR 59.A N GLY 56.A O no hydrogen 3.036 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.632 N/A GLU 61.A N PRO 57.A O no hydrogen 2.907 N/A GLU 62.A N GLU 58.A O no hydrogen 2.917 N/A ALA 63.A N TYR 59.A O no hydrogen 2.901 N/A THR 64.A N TRP 60.A O no hydrogen 2.898 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.729 N/A ARG 65.A N GLU 61.A O no hydrogen 2.927 N/A ARG 65.A NE GLU 62.A OE1 no hydrogen 3.112 N/A ARG 65.A NH2 GLU 62.A OE2 no hydrogen 2.778 N/A ARG 66.A N GLU 62.A O no hydrogen 2.911 N/A ARG 66.A NE GLU 62.A OE2 no hydrogen 2.816 N/A ARG 66.A NH1 GLU 163.A OE2 no hydrogen 3.034 N/A ARG 66.A NH2 GLU 62.A OE2 no hydrogen 3.324 N/A ALA 67.A N ALA 63.A O no hydrogen 2.905 N/A LYS 68.A N THR 64.A O no hydrogen 2.924 N/A GLU 69.A N ARG 65.A O no hydrogen 2.920 N/A ALA 70.A N ARG 66.A O no hydrogen 2.904 N/A ALA 71.A N ALA 67.A O no hydrogen 2.915 N/A GLN 72.A N LYS 68.A O no hydrogen 2.929 N/A THR 73.A N GLU 69.A O no hydrogen 2.909 N/A THR 73.A OG1 GLU 69.A O no hydrogen 2.961 N/A HIS 74.A N ALA 70.A O no hydrogen 2.902 N/A HIS 74.A ND1 ALA 70.A O no hydrogen 2.899 N/A ARG 75.A N ALA 71.A O no hydrogen 2.928 N/A GLU 76.A N GLN 72.A O no hydrogen 2.929 N/A ASN 77.A N THR 73.A O no hydrogen 2.898 N/A LEU 78.A N HIS 74.A O no hydrogen 2.893 N/A ARG 79.A N ARG 75.A O no hydrogen 2.968 N/A THR 80.A N GLU 76.A O no hydrogen 2.914 N/A THR 80.A OG1 GLU 76.A O no hydrogen 2.967 N/A ALA 81.A N ASN 77.A O no hydrogen 2.897 N/A LEU 82.A N LEU 78.A O no hydrogen 2.901 N/A ARG 83.A N ARG 79.A O no hydrogen 2.991 N/A TYR 84.A N THR 80.A O no hydrogen 2.891 N/A TYR 85.A N ALA 81.A O no hydrogen 3.055 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 3.358 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.760 N/A GLN 87.A N LEU 82.A O no hydrogen 2.782 N/A ALA 90.A N SER 88.A OG no hydrogen 3.150 N/A GLY 91.A N SER 88.A O no hydrogen 3.482 N/A SER 92.A OG SER 13.A O no hydrogen 2.781 N/A HIS 93.A N SER 13.A OG no hydrogen 2.753 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.814 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.844 N/A ILE 95.A N SER 11.A O no hydrogen 2.903 N/A GLN 96.A N ALA 117.A O no hydrogen 2.925 N/A LYS 97.A N TYR 9.A O no hydrogen 2.932 N/A MET 98.A N GLN 115.A O no hydrogen 2.903 N/A TYR 99.A N TYR 7.A O no hydrogen 2.983 N/A TYR 99.A OH TYR 9.A OH no hydrogen 2.676 N/A GLY 100.A N TYR 113.A O no hydrogen 2.914 N/A CYS 101.A N MET 5.A O no hydrogen 2.921 N/A ASP 102.A N ARG 111.A O no hydrogen 2.903 N/A GLY 104.A N ARG 108.A O no hydrogen 3.003 N/A GLY 107.A N GLY 104.A O no hydrogen 3.163 N/A ARG 108.A N ASP 106.A OD2 no hydrogen 3.079 N/A LEU 110.A N ASP 102.A O no hydrogen 2.759 N/A TYR 113.A N GLY 100.A O no hydrogen 2.898 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 3.312 N/A GLN 115.A N MET 98.A O no hydrogen 2.915 N/A SER 116.A N ILE 124.A O no hydrogen 2.891 N/A SER 116.A OG ILE 124.A O no hydrogen 3.234 N/A ALA 117.A N GLN 96.A O no hydrogen 2.887 N/A TYR 118.A N LYS 121.A O no hydrogen 2.856 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.736 N/A ASP 119.A N THR 94.A O no hydrogen 2.742 N/A LYS 121.A N TYR 118.A O no hydrogen 3.357 N/A LYS 121.A NZ ASP 119.A O no hydrogen 3.448 N/A TYR 123.A N SER 116.A O no hydrogen 2.876 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.734 N/A ILE 124.A N SER 116.A O no hydrogen 2.941 N/A ALA 125.A N THR 134.A O no hydrogen 2.935 N/A LEU 126.A N HIS 114.A O no hydrogen 2.883 N/A ASN 127.A N SER 132.A O no hydrogen 2.989 N/A LEU 130.A N ASN 127.A O no hydrogen 2.861 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.806 N/A SER 132.A N ASP 129.A OD1 no hydrogen 2.940 N/A SER 132.A OG TRP 133.A O no hydrogen 3.437 N/A THR 134.A N ALA 125.A O no hydrogen 2.876 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.574 N/A ALA 136.A N TYR 123.A O no hydrogen 2.959 N/A ALA 140.A N ASP 137.A O no hydrogen 3.233 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.901 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.734 N/A GLN 144.A N ALA 140.A O no hydrogen 2.903 N/A ARG 145.A N GLN 141.A O no hydrogen 2.899 N/A LYS 146.A N ASN 142.A O no hydrogen 2.922 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.169 N/A TRP 147.A N THR 143.A O no hydrogen 2.897 N/A GLU 148.A N GLN 144.A O no hydrogen 2.898 N/A GLY 149.A N ARG 145.A O no hydrogen 2.910 N/A ASN 150.A N LYS 146.A O no hydrogen 3.298 N/A TYR 152.A N TRP 147.A O no hydrogen 3.033 N/A TYR 152.A OH HIS 114.A NE2 no hydrogen 3.406 N/A ARG 155.A NH1 ASN 150.A O no hydrogen 3.104 N/A ARG 155.A NH2 ASN 150.A O no hydrogen 3.184 N/A PHE 156.A N TYR 152.A O no hydrogen 2.899 N/A ARG 157.A N ALA 153.A O no hydrogen 2.898 N/A ALA 158.A N GLU 154.A O no hydrogen 2.904 N/A TYR 159.A N ARG 155.A O no hydrogen 2.965 N/A LEU 160.A N PHE 156.A O no hydrogen 2.888 N/A GLU 161.A N ARG 157.A O no hydrogen 2.916 N/A GLY 162.A N TYR 159.A O no hydrogen 3.325 N/A CYS 164.A N TYR 159.A O no hydrogen 3.105 N/A GLU 166.A N GLY 162.A O no hydrogen 3.006 N/A TRP 167.A N GLU 163.A O no hydrogen 2.915 N/A LEU 168.A N CYS 164.A O no hydrogen 2.914 N/A ARG 169.A N LEU 165.A O no hydrogen 2.894 N/A ARG 170.A N GLU 166.A O no hydrogen 2.921 N/A TYR 171.A N TRP 167.A O no hydrogen 2.897 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.632 N/A LEU 172.A N LEU 168.A O no hydrogen 2.911 N/A GLU 173.A N ARG 169.A O no hydrogen 2.900 N/A ASN 174.A N ARG 170.A O no hydrogen 2.916 N/A GLY 175.A N TYR 171.A O no hydrogen 2.774 N/A THR 178.A N GLY 175.A O no hydrogen 3.259 N/A LEU 179.A N GLY 175.A O no hydrogen 2.760 N/A GLN 180.A N LYS 176.A O no hydrogen 3.169 N/A ARG 181.A NE THR 178.A O no hydrogen 2.946 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 2.736 N/A ARG 181.A NH2 THR 178.A O no hydrogen 2.890 N/A LYS 186.A N LEU 206.A O no hydrogen 2.892 N/A HIS 188.A N TRP 204.A O no hydrogen 2.931 N/A THR 190.A N ARG 202.A O no hydrogen 2.895 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.861 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.204 N/A HIS 191.A NE2 GLU 254.A OE2 no hydrogen 3.054 N/A HIS 192.A N THR 200.A O no hydrogen 2.896 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.861 N/A VAL 194.A N GLU 198.A O no hydrogen 2.999 N/A SER 195.A N GLU 198.A O no hydrogen 3.179 N/A HIS 197.A N SER 195.A OG no hydrogen 3.241 N/A GLU 198.A N SER 195.A OG no hydrogen 3.320 N/A ALA 199.A N VAL 249.A O no hydrogen 2.897 N/A THR 200.A N HIS 192.A O no hydrogen 2.890 N/A LEU 201.A N VAL 247.A O no hydrogen 2.912 N/A ARG 202.A N THR 190.A O no hydrogen 2.920 N/A CYS 203.A N GLY 245.A O no hydrogen 2.880 N/A TRP 204.A N HIS 188.A O no hydrogen 2.881 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 2.920 N/A ALA 205.A N LYS 243.A O no hydrogen 2.961 N/A LEU 206.A N LYS 186.A O no hydrogen 2.902 N/A PHE 208.A N PHE 241.A O no hydrogen 3.272 N/A TYR 209.A N ASP 183.A O no hydrogen 3.040 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.655 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.836 N/A THR 214.A N GLN 262.A O no hydrogen 2.922 N/A THR 214.A OG1 GLN 262.A O no hydrogen 3.236 N/A THR 216.A N HIS 260.A O no hydrogen 2.915 N/A TRP 217.A NE1 GLY 245.A O no hydrogen 2.593 N/A GLN 218.A N THR 258.A O no hydrogen 2.897 N/A ARG 219.A N GLU 222.A O no hydrogen 2.835 N/A ARG 219.A NH2 GLU 253.A OE2 no hydrogen 2.991 N/A ASP 220.A N ARG 256.A O no hydrogen 2.934 N/A GLU 222.A N ARG 219.A O no hydrogen 2.992 N/A GLN 224.A N TRP 217.A O no hydrogen 3.014 N/A THR 228.A OG1 GLN 226.A O no hydrogen 2.854 N/A GLU 229.A N ALA 246.A O no hydrogen 2.897 N/A VAL 231.A N TRP 244.A O no hydrogen 3.513 N/A ARG 234.A N GLN 242.A O no hydrogen 3.023 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.117 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.379 N/A GLY 236.A N THR 240.A O no hydrogen 2.853 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.371 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.703 N/A PHE 241.A N PHE 208.A O no hydrogen 2.979 N/A GLN 242.A N ARG 234.A O no hydrogen 2.640 N/A LYS 243.A N ALA 205.A O no hydrogen 3.065 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.787 N/A GLY 245.A N CYS 203.A O no hydrogen 2.927 N/A ALA 246.A N GLU 229.A O no hydrogen 2.905 N/A VAL 247.A N LEU 201.A O no hydrogen 2.902 N/A VAL 248.A N ASP 227.A O no hydrogen 3.024 N/A VAL 249.A N ALA 199.A O no hydrogen 2.888 N/A SER 251.A N HIS 197.A O no hydrogen 2.816 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.757 N/A GLU 253.A N PRO 250.A O no hydrogen 2.947 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.761 N/A GLN 255.A NE2 TRP 274.A O no hydrogen 3.473 N/A ARG 256.A N GLU 253.A O no hydrogen 3.016 N/A ARG 256.A NE ASP 220.A OD1 no hydrogen 2.855 N/A ARG 256.A NH1 ASP 220.A OD1 no hydrogen 3.098 N/A ARG 256.A NH1 ASP 220.A OD2 no hydrogen 2.852 N/A TYR 257.A N GLU 254.A O no hydrogen 3.133 N/A THR 258.A N GLN 218.A O no hydrogen 2.905 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.871 N/A CYS 259.A N LEU 272.A O no hydrogen 2.896 N/A CYS 259.A SG THR 216.A O no hydrogen 3.728 N/A HIS 260.A N THR 216.A O no hydrogen 2.892 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.871 N/A VAL 261.A N LEU 270.A O no hydrogen 3.173 N/A GLN 262.A N THR 214.A O no hydrogen 2.892 N/A HIS 263.A N GLN 262.A OE1 no hydrogen 3.179 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.850 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.920 N/A LEU 266.A N HIS 263.A O no hydrogen 2.985 N/A LEU 270.A N VAL 261.A O no hydrogen 2.994 N/A LEU 272.A N CYS 259.A O no hydrogen 2.886 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 3.247 N/A