Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3rl2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N SER 105.A OG no hydrogen 3.253 N/A HIS 3.A N VAL 103.A O no hydrogen 2.945 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 3.054 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.222 N/A MET 5.A N CYS 101.A O no hydrogen 2.971 N/A ARG 6.A N TYR 27.A O no hydrogen 2.924 N/A TYR 7.A N TYR 99.A O no hydrogen 2.954 N/A PHE 8.A N VAL 25.A O no hydrogen 2.846 N/A PHE 9.A N ILE 97.A O no hydrogen 2.897 N/A THR 10.A N ILE 23.A O no hydrogen 2.894 N/A SER 11.A N ILE 95.A O no hydrogen 2.919 N/A SER 11.A OG ASP 74.A OD1 no hydrogen 2.773 N/A VAL 12.A N ARG 21.A O no hydrogen 2.889 N/A SER 13.A N HIS 93.A O no hydrogen 2.978 N/A SER 13.A OG HIS 93.A O no hydrogen 3.503 N/A ARG 17.A N ARG 14.A O no hydrogen 2.931 N/A ARG 21.A N VAL 12.A O no hydrogen 2.761 N/A ARG 21.A NE ASP 37.A OD2 no hydrogen 2.873 N/A ARG 21.A NH2 ASP 37.A OD1 no hydrogen 2.725 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.039 N/A PHE 22.A N SER 38.A OG no hydrogen 2.822 N/A ILE 23.A N THR 10.A O no hydrogen 2.900 N/A ALA 24.A N PHE 36.A O no hydrogen 2.912 N/A VAL 25.A N PHE 8.A O no hydrogen 2.897 N/A GLY 26.A N VAL 34.A O no hydrogen 2.963 N/A TYR 27.A N ARG 6.A O no hydrogen 2.648 N/A VAL 28.A N THR 31.A O no hydrogen 2.954 N/A ASP 29.A N SER 4.A O no hydrogen 2.939 N/A THR 31.A N VAL 28.A O no hydrogen 2.953 N/A PHE 33.A N GLY 26.A O no hydrogen 3.041 N/A ARG 35.A N GLU 46.A O no hydrogen 3.007 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 2.884 N/A PHE 36.A N ALA 24.A O no hydrogen 2.777 N/A SER 38.A N PHE 22.A O no hydrogen 2.924 N/A SER 38.A OG PHE 22.A O no hydrogen 3.280 N/A ASP 39.A N ASP 37.A OD2 no hydrogen 3.064 N/A ALA 40.A N ASP 37.A O no hydrogen 2.661 N/A SER 42.A OG GLU 46.A OE1 no hydrogen 3.217 N/A ARG 44.A NH1 ASP 61.A OD1 no hydrogen 3.346 N/A ARG 44.A NH2 ASP 61.A OD1 no hydrogen 2.967 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.022 N/A GLU 46.A N ARG 35.A O no hydrogen 2.903 N/A ARG 48.A N PHE 33.A O no hydrogen 2.732 N/A ILE 52.A N ALA 49.A O no hydrogen 3.166 N/A GLU 55.A N ILE 52.A O no hydrogen 3.249 N/A TYR 59.A N GLY 56.A O no hydrogen 3.138 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.604 N/A TRP 60.A N GLY 56.A O no hydrogen 3.439 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.919 N/A ASP 61.A N PRO 57.A O no hydrogen 3.002 N/A GLN 62.A N GLU 58.A O no hydrogen 3.293 N/A GLU 63.A N TYR 59.A O no hydrogen 2.950 N/A THR 64.A N TRP 60.A O no hydrogen 2.912 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.843 N/A ARG 65.A N ASP 61.A O no hydrogen 2.948 N/A ASN 66.A N GLN 62.A O no hydrogen 3.036 N/A VAL 67.A N GLU 63.A O no hydrogen 2.819 N/A LYS 68.A N THR 64.A O no hydrogen 2.905 N/A ALA 69.A N ARG 65.A O no hydrogen 3.035 N/A GLN 70.A N ASN 66.A O no hydrogen 3.337 N/A GLN 70.A NE2 ASP 74.A OD2 no hydrogen 3.461 N/A SER 71.A N VAL 67.A O no hydrogen 3.265 N/A SER 71.A OG LYS 68.A O no hydrogen 2.708 N/A GLN 72.A N LYS 68.A O no hydrogen 3.215 N/A THR 73.A N ALA 69.A O no hydrogen 3.086 N/A THR 73.A OG1 ALA 69.A O no hydrogen 3.067 N/A ASP 74.A N GLN 70.A O no hydrogen 2.973 N/A ARG 75.A N SER 71.A O no hydrogen 2.844 N/A VAL 76.A N GLN 72.A O no hydrogen 3.105 N/A ASP 77.A N THR 73.A O no hydrogen 2.886 N/A LEU 78.A N ASP 74.A O no hydrogen 2.837 N/A THR 80.A N VAL 76.A O no hydrogen 3.070 N/A THR 80.A OG1 VAL 76.A O no hydrogen 3.258 N/A LEU 81.A N ASP 77.A O no hydrogen 2.744 N/A ARG 82.A N LEU 78.A O no hydrogen 3.059 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 2.842 N/A GLY 83.A N GLY 79.A O no hydrogen 3.133 N/A TYR 84.A N THR 80.A O no hydrogen 2.932 N/A TYR 85.A N LEU 81.A O no hydrogen 3.000 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.742 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.410 N/A ASN 86.A N GLY 83.A O no hydrogen 3.137 N/A GLN 87.A N ARG 82.A O no hydrogen 3.089 N/A GLN 87.A NE2 TYR 118.A OH no hydrogen 2.558 N/A GLY 91.A N SER 88.A O no hydrogen 3.488 N/A SER 92.A OG SER 13.A O no hydrogen 2.571 N/A HIS 93.A N SER 13.A OG no hydrogen 2.864 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.858 N/A ILE 95.A N SER 11.A O no hydrogen 2.963 N/A GLN 96.A N ALA 117.A O no hydrogen 3.260 N/A ILE 97.A N PHE 9.A O no hydrogen 2.928 N/A MET 98.A N GLN 115.A O no hydrogen 3.052 N/A TYR 99.A N TYR 7.A O no hydrogen 3.372 N/A GLY 100.A N TYR 113.A O no hydrogen 3.130 N/A CYS 101.A N MET 5.A O no hydrogen 3.091 N/A ASP 102.A N ARG 111.A O no hydrogen 2.889 N/A VAL 103.A N HIS 3.A O no hydrogen 2.976 N/A GLY 104.A N ARG 108.A O no hydrogen 3.035 N/A GLY 107.A N GLY 104.A O no hydrogen 2.940 N/A ARG 108.A N ASP 106.A OD2 no hydrogen 3.014 N/A LEU 110.A N ASP 102.A O no hydrogen 3.011 N/A ARG 111.A NE ASP 102.A OD1 no hydrogen 3.143 N/A TYR 113.A N GLY 100.A O no hydrogen 2.910 N/A TYR 113.A OH ASP 102.A OD2 no hydrogen 2.643 N/A ARG 114.A NE ASP 116.A OD1 no hydrogen 3.055 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 2.896 N/A GLN 115.A N MET 98.A O no hydrogen 2.883 N/A ASP 116.A N ILE 124.A O no hydrogen 2.848 N/A ALA 117.A N GLN 96.A O no hydrogen 2.888 N/A TYR 118.A N LYS 121.A O no hydrogen 3.015 N/A ASP 119.A N THR 94.A O no hydrogen 2.791 N/A TYR 123.A N ASP 116.A O no hydrogen 2.874 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.856 N/A ILE 124.A N ASP 116.A O no hydrogen 3.347 N/A ALA 125.A N THR 134.A O no hydrogen 3.053 N/A LEU 126.A N ARG 114.A O no hydrogen 2.785 N/A ASN 127.A N SER 132.A O no hydrogen 2.775 N/A ASN 127.A ND2 SER 132.A OG no hydrogen 2.813 N/A LEU 130.A N ASN 127.A O no hydrogen 2.768 N/A ARG 131.A N ASP 129.A OD2 no hydrogen 2.721 N/A SER 132.A N ASP 129.A OD2 no hydrogen 3.143 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.789 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 3.143 N/A THR 134.A N ALA 125.A O no hydrogen 2.908 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.436 N/A ALA 136.A N TYR 123.A O no hydrogen 2.846 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 2.812 N/A GLN 141.A N ASP 137.A O no hydrogen 3.040 N/A ILE 142.A N ALA 139.A O no hydrogen 2.951 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.856 N/A LYS 144.A N ALA 140.A O no hydrogen 2.733 N/A LYS 144.A NZ TRP 133.A O no hydrogen 2.906 N/A ARG 145.A N GLN 141.A O no hydrogen 3.065 N/A LYS 146.A N ILE 142.A O no hydrogen 3.120 N/A LYS 146.A NZ TYR 84.A OH no hydrogen 3.064 N/A TRP 147.A N THR 143.A O no hydrogen 2.887 N/A GLU 148.A N LYS 144.A O no hydrogen 2.946 N/A ALA 149.A N ARG 145.A O no hydrogen 2.896 N/A ALA 150.A N LYS 146.A O no hydrogen 2.977 N/A ALA 150.A N TRP 147.A O no hydrogen 3.277 N/A HIS 151.A N GLU 148.A O no hydrogen 2.929 N/A GLU 152.A N TRP 147.A O no hydrogen 3.096 N/A GLU 154.A N HIS 151.A O no hydrogen 3.292 N/A LEU 156.A N GLU 152.A O no hydrogen 3.195 N/A ARG 157.A N ALA 153.A O no hydrogen 2.867 N/A ARG 157.A NE LEU 130.A O no hydrogen 2.955 N/A ARG 157.A NH2 LEU 130.A O no hydrogen 3.071 N/A ALA 158.A N GLU 154.A O no hydrogen 3.008 N/A TYR 159.A N GLN 155.A O no hydrogen 3.256 N/A TYR 159.A N LEU 156.A O no hydrogen 3.016 N/A LEU 160.A N LEU 156.A O no hydrogen 2.849 N/A ASP 161.A N ARG 157.A O no hydrogen 2.918 N/A GLY 162.A N TYR 159.A O no hydrogen 3.135 N/A CYS 164.A N TYR 159.A O no hydrogen 2.813 N/A GLU 166.A N GLY 162.A O no hydrogen 3.286 N/A TRP 167.A N THR 163.A O no hydrogen 3.030 N/A LEU 168.A N CYS 164.A O no hydrogen 2.997 N/A ARG 169.A N VAL 165.A O no hydrogen 2.882 N/A ARG 169.A NH1 GLY 107.A O no hydrogen 2.829 N/A ARG 170.A N GLU 166.A O no hydrogen 3.317 N/A ARG 170.A NE GLU 55.A OE1 no hydrogen 2.873 N/A ARG 170.A NH2 GLU 55.A OE1 no hydrogen 3.549 N/A ARG 170.A NH2 GLU 55.A OE2 no hydrogen 3.512 N/A TYR 171.A N TRP 167.A O no hydrogen 2.829 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.604 N/A LEU 172.A N LEU 168.A O no hydrogen 2.826 N/A GLU 173.A N ARG 169.A O no hydrogen 3.089 N/A ASN 174.A N ARG 170.A O no hydrogen 2.865 N/A GLY 175.A N TYR 171.A O no hydrogen 2.966 N/A LYS 176.A N GLU 173.A O no hydrogen 3.341 N/A THR 178.A N GLU 177.A OE1.B no hydrogen 3.435 N/A LEU 179.A N GLY 175.A O no hydrogen 2.735 N/A ASP 183.A N TYR 209.A O no hydrogen 2.777 N/A LYS 186.A N LEU 206.A O no hydrogen 2.811 N/A HIS 188.A N TRP 204.A O no hydrogen 3.291 N/A THR 190.A N ARG 202.A O no hydrogen 2.877 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.420 N/A HIS 192.A N THR 200.A O no hydrogen 2.817 N/A HIS 197.A N GLU 198.A O no hydrogen 3.191 N/A GLU 198.A N VAL 249.A O no hydrogen 3.295 N/A ALA 199.A N VAL 249.A O no hydrogen 2.923 N/A THR 200.A N HIS 192.A O no hydrogen 2.701 N/A LEU 201.A N VAL 247.A O no hydrogen 3.073 N/A ARG 202.A N THR 190.A O no hydrogen 2.984 N/A CYS 203.A N ALA 245.A O no hydrogen 2.753 N/A TRP 204.A N HIS 188.A O no hydrogen 2.823 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.221 N/A ALA 205.A N LYS 243.A O no hydrogen 2.922 N/A LEU 206.A N LYS 186.A O no hydrogen 2.941 N/A PHE 208.A N PHE 241.A O no hydrogen 3.350 N/A TYR 209.A N ASP 183.A O no hydrogen 2.969 N/A THR 214.A N GLN 262.A O no hydrogen 2.997 N/A THR 216.A N HIS 260.A O no hydrogen 3.041 N/A GLN 218.A N THR 258.A O no hydrogen 2.937 N/A ARG 219.A N ASP 223.A O no hydrogen 2.923 N/A ASP 220.A N ARG 256.A O no hydrogen 2.767 N/A THR 225.A N TRP 217.A O no hydrogen 3.156 N/A THR 225.A N GLN 224.A OE1 no hydrogen 3.016 N/A THR 225.A OG1 ASP 223.A O no hydrogen 3.364 N/A GLU 229.A N ALA 246.A O no hydrogen 2.816 N/A VAL 231.A N TRP 244.A O no hydrogen 3.290 N/A ARG 234.A N GLN 242.A O no hydrogen 2.991 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.189 N/A ALA 236.A N THR 240.A O no hydrogen 2.866 N/A THR 240.A N ASP 238.A OD2 no hydrogen 3.165 N/A THR 240.A OG1 ASP 238.A OD2 no hydrogen 2.908 N/A PHE 241.A N PHE 208.A O no hydrogen 2.903 N/A GLN 242.A N ARG 234.A O no hydrogen 2.733 N/A LYS 243.A N ALA 205.A O no hydrogen 3.084 N/A LYS 243.A NZ VAL 231.A O no hydrogen 3.200 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 3.175 N/A ALA 245.A N CYS 203.A O no hydrogen 3.114 N/A ALA 246.A N GLU 229.A O no hydrogen 2.712 N/A VAL 247.A N LEU 201.A O no hydrogen 2.964 N/A VAL 249.A N ALA 199.A O no hydrogen 2.961 N/A SER 251.A N HIS 197.A O no hydrogen 2.593 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.885 N/A GLU 253.A N GLN 255.A OE1 no hydrogen 2.647 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.882 N/A GLN 255.A N GLN 255.A OE1 no hydrogen 2.549 N/A TYR 257.A N GLU 254.A O no hydrogen 3.289 N/A THR 258.A N GLN 218.A O no hydrogen 2.857 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.839 N/A CYS 259.A N LEU 272.A O no hydrogen 2.835 N/A HIS 260.A N THR 216.A O no hydrogen 2.811 N/A HIS 260.A NE2 THR 258.A OG1 no hydrogen 2.839 N/A VAL 261.A N LEU 270.A O no hydrogen 2.958 N/A GLN 262.A N THR 214.A O no hydrogen 2.891 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 2.875 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 3.012 N/A LEU 266.A N HIS 263.A O no hydrogen 3.000 N/A LEU 270.A N VAL 261.A O no hydrogen 3.082 N/A LEU 272.A N CYS 259.A O no hydrogen 2.838 N/A ARG 273.A NE GLN 255.A O no hydrogen 2.846 N/A