Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2occ_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 HIS 6.A O no hydrogen 2.749 N/A GLN 4.A NE2 TYR 8.A O no hydrogen 3.008 N/A TYR 8.A N HIS 6.A ND1 no hydrogen 2.957 N/A TRP 16.A N SER 14.A OG no hydrogen 3.150 N/A TRP 16.A NE1 ASP 60.A OD2 no hydrogen 2.787 N/A THR 19.A N PRO 15.A O no hydrogen 3.084 N/A THR 19.A OG1 TRP 16.A O no hydrogen 3.287 N/A THR 19.A OG1 THR 53.A OG1 no hydrogen 2.669 N/A GLY 20.A N TRP 16.A O no hydrogen 2.785 N/A ALA 21.A N PRO 17.A O no hydrogen 2.948 N/A LEU 22.A N LEU 18.A O no hydrogen 2.926 N/A SER 23.A N THR 19.A O no hydrogen 2.835 N/A SER 23.A OG THR 19.A O no hydrogen 2.657 N/A SER 23.A OG THR 49.A OG1 no hydrogen 3.041 N/A ALA 24.A N GLY 20.A O no hydrogen 3.125 N/A LEU 25.A N ALA 21.A O no hydrogen 3.173 N/A LEU 26.A N LEU 22.A O no hydrogen 2.965 N/A MET 27.A N SER 23.A O no hydrogen 2.891 N/A THR 28.A N ALA 24.A O no hydrogen 3.078 N/A THR 28.A OG1 ALA 24.A O no hydrogen 2.787 N/A THR 28.A OG1 LEU 25.A O no hydrogen 3.061 N/A SER 29.A N LEU 25.A O no hydrogen 3.037 N/A SER 29.A OG LEU 25.A O no hydrogen 2.853 N/A GLY 30.A N LEU 26.A O no hydrogen 2.949 N/A LEU 31.A N MET 27.A O no hydrogen 2.838 N/A THR 32.A N THR 28.A O no hydrogen 2.916 N/A THR 32.A OG1 THR 28.A O no hydrogen 3.127 N/A MET 33.A N SER 29.A O no hydrogen 2.897 N/A TRP 34.A N GLY 30.A O no hydrogen 2.950 N/A PHE 35.A N LEU 31.A O no hydrogen 2.995 N/A HIS 36.A N THR 32.A O no hydrogen 3.224 N/A SER 39.A N MET 33.A O no hydrogen 3.367 N/A THR 41.A N SER 39.A OG no hydrogen 3.375 N/A MET 44.A N MET 40.A O no hydrogen 2.896 N/A ILE 45.A N THR 41.A O no hydrogen 2.951 N/A GLY 46.A N LEU 42.A O no hydrogen 2.869 N/A LEU 47.A N LEU 43.A O no hydrogen 2.977 N/A THR 48.A N MET 44.A O no hydrogen 3.156 N/A THR 48.A OG1 MET 44.A O no hydrogen 2.947 N/A THR 49.A N ILE 45.A O no hydrogen 3.006 N/A THR 49.A OG1 SER 23.A OG no hydrogen 3.041 N/A THR 49.A OG1 ILE 45.A O no hydrogen 3.484 N/A THR 49.A OG1 GLY 46.A O no hydrogen 3.050 N/A ASN 50.A N GLY 46.A O no hydrogen 3.075 N/A MET 51.A N LEU 47.A O no hydrogen 3.210 N/A LEU 52.A N THR 48.A O no hydrogen 3.079 N/A THR 53.A N THR 49.A O no hydrogen 2.973 N/A THR 53.A OG1 THR 19.A OG1 no hydrogen 2.669 N/A THR 53.A OG1 THR 49.A O no hydrogen 2.897 N/A MET 54.A N ASN 50.A O no hydrogen 2.986 N/A TYR 55.A N MET 51.A O no hydrogen 2.879 N/A GLN 56.A N LEU 52.A O no hydrogen 3.123 N/A GLN 56.A NE2 LEU 52.A O no hydrogen 2.821 N/A TRP 57.A N THR 53.A O no hydrogen 2.873 N/A TRP 58.A N MET 54.A O no hydrogen 3.036 N/A ARG 59.A N TYR 55.A O no hydrogen 2.823 N/A ARG 59.A NE ASP 60.A OD1 no hydrogen 2.826 N/A ARG 59.A NH2 ASP 60.A OD1 no hydrogen 2.735 N/A ASP 60.A N GLN 56.A O no hydrogen 2.885 N/A VAL 61.A N TRP 57.A O no hydrogen 3.044 N/A ILE 62.A N TRP 58.A O no hydrogen 3.153 N/A ARG 63.A N ARG 59.A O no hydrogen 2.955 N/A GLU 64.A N ASP 60.A O no hydrogen 2.917 N/A SER 65.A N VAL 61.A O no hydrogen 3.224 N/A SER 65.A N ILE 62.A O no hydrogen 3.124 N/A SER 65.A OG VAL 61.A O no hydrogen 2.876 N/A SER 65.A OG ILE 62.A O no hydrogen 3.197 N/A THR 66.A N ILE 62.A O no hydrogen 2.877 N/A GLN 68.A N ARG 63.A O no hydrogen 2.766 N/A GLY 69.A N SER 65.A O no hydrogen 3.215 N/A HIS 70.A N GLU 64.A O no hydrogen 2.854 N/A THR 72.A N HIS 70.A O no hydrogen 2.877 N/A THR 72.A OG1 ALA 7.A O no hydrogen 2.672 N/A GLN 76.A N THR 72.A O no hydrogen 3.019 N/A GLN 76.A NE2 HIS 71.A O no hydrogen 3.507 N/A LYS 77.A N PRO 73.A O no hydrogen 3.158 N/A GLY 78.A N ALA 74.A O no hydrogen 3.404 N/A LEU 79.A N VAL 75.A O no hydrogen 3.212 N/A ARG 80.A N GLN 76.A O no hydrogen 3.090 N/A ARG 80.A NH2 GLU 236.A OE1 no hydrogen 3.208 N/A TYR 81.A N LYS 77.A O no hydrogen 3.231 N/A GLY 82.A N GLY 78.A O no hydrogen 2.898 N/A MET 83.A N LEU 79.A O no hydrogen 3.009 N/A ILE 84.A N ARG 80.A O no hydrogen 2.970 N/A LEU 85.A N TYR 81.A O no hydrogen 2.871 N/A PHE 86.A N GLY 82.A O no hydrogen 2.980 N/A ILE 87.A N MET 83.A O no hydrogen 3.065 N/A ILE 88.A N ILE 84.A O no hydrogen 3.205 N/A SER 89.A N LEU 85.A O no hydrogen 3.291 N/A SER 89.A OG PHE 86.A O no hydrogen 2.960 N/A GLU 90.A N PHE 86.A O no hydrogen 3.225 N/A VAL 91.A N ILE 87.A O no hydrogen 2.841 N/A LEU 92.A N ILE 88.A O no hydrogen 3.034 N/A PHE 93.A N SER 89.A O no hydrogen 3.021 N/A PHE 94.A N GLU 90.A O no hydrogen 3.057 N/A THR 95.A N VAL 91.A O no hydrogen 2.989 N/A THR 95.A OG1 VAL 91.A O no hydrogen 2.870 N/A GLY 96.A N LEU 92.A O no hydrogen 3.245 N/A GLY 96.A N PHE 93.A O no hydrogen 3.013 N/A PHE 98.A N PHE 94.A O no hydrogen 3.154 N/A TRP 99.A N THR 95.A O no hydrogen 3.059 N/A ALA 100.A N GLY 96.A O no hydrogen 3.120 N/A PHE 101.A N PHE 97.A O no hydrogen 3.125 N/A TYR 102.A N PHE 98.A O no hydrogen 2.902 N/A TYR 102.A OH SER 255.A OG no hydrogen 2.780 N/A HIS 103.A N TRP 99.A O no hydrogen 2.779 N/A SER 104.A N ALA 100.A O no hydrogen 2.999 N/A SER 104.A OG ALA 100.A O no hydrogen 3.217 N/A SER 105.A N PHE 101.A O no hydrogen 2.909 N/A SER 105.A OG PHE 101.A O no hydrogen 2.722 N/A LEU 106.A N TYR 102.A O no hydrogen 3.207 N/A LEU 112.A N THR 109.A O no hydrogen 3.142 N/A GLY 113.A N PRO 110.A O no hydrogen 2.877 N/A GLY 114.A N THR 109.A O no hydrogen 3.158 N/A CYS 115.A SG PRO 117.A O no hydrogen 3.761 N/A TRP 116.A NE1 GLY 260.A O no hydrogen 2.726 N/A THR 119.A N LEU 112.A O no hydrogen 3.139 N/A ILE 121.A N PRO 118.A O no hydrogen 3.278 N/A LEU 127.A N ASN 125.A OD1 no hydrogen 3.112 N/A GLU 128.A N ASN 125.A O no hydrogen 3.103 N/A LEU 131.A N GLU 128.A O no hydrogen 2.876 N/A LEU 132.A N GLU 128.A O no hydrogen 3.275 N/A ASN 133.A N VAL 129.A O no hydrogen 2.818 N/A THR 134.A N PRO 130.A O no hydrogen 3.138 N/A THR 134.A OG1 PRO 130.A O no hydrogen 2.817 N/A SER 135.A N LEU 131.A O no hydrogen 2.962 N/A SER 135.A OG LEU 132.A O no hydrogen 2.856 N/A VAL 136.A N LEU 132.A O no hydrogen 2.826 N/A LEU 137.A N ASN 133.A O no hydrogen 3.137 N/A LEU 138.A N THR 134.A O no hydrogen 3.131 N/A ALA 139.A N SER 135.A O no hydrogen 3.003 N/A SER 140.A N VAL 136.A O no hydrogen 3.193 N/A SER 140.A OG LEU 137.A O no hydrogen 2.775 N/A GLY 141.A N LEU 138.A O no hydrogen 3.051 N/A VAL 142.A N LEU 138.A O no hydrogen 3.391 N/A VAL 142.A N ALA 139.A O no hydrogen 3.092 N/A SER 143.A N ALA 139.A O no hydrogen 3.036 N/A SER 143.A OG SER 140.A O no hydrogen 3.483 N/A SER 143.A OG THR 166.A OG1 no hydrogen 2.704 N/A ILE 144.A N SER 140.A O no hydrogen 3.168 N/A THR 145.A N VAL 142.A O no hydrogen 3.039 N/A THR 145.A OG1 GLY 141.A O no hydrogen 2.942 N/A TRP 146.A N VAL 142.A O no hydrogen 3.074 N/A ALA 147.A N SER 143.A O no hydrogen 3.037 N/A HIS 148.A N ILE 144.A O no hydrogen 2.988 N/A HIS 149.A N THR 145.A O no hydrogen 3.154 N/A HIS 149.A ND1 THR 145.A O no hydrogen 2.853 N/A SER 150.A N TRP 146.A O no hydrogen 2.846 N/A SER 150.A OG TRP 146.A O no hydrogen 3.261 N/A LEU 151.A N ALA 147.A O no hydrogen 2.943 N/A MET 152.A N HIS 148.A O no hydrogen 3.079 N/A GLU 153.A N HIS 149.A O no hydrogen 2.970 N/A GLU 153.A N SER 150.A O no hydrogen 3.012 N/A GLY 154.A N LEU 151.A O no hydrogen 2.947 N/A ASP 155.A N SER 150.A O no hydrogen 2.934 N/A ARG 156.A NH1 GLN 222.A O no hydrogen 2.801 N/A ARG 156.A NH2 LEU 223.A O no hydrogen 2.664 N/A HIS 158.A N ASP 155.A OD1 no hydrogen 3.184 N/A MET 159.A N ASP 155.A O no hydrogen 3.023 N/A LEU 160.A N ARG 156.A O no hydrogen 2.952 N/A GLN 161.A N LYS 157.A O no hydrogen 2.807 N/A ALA 162.A N HIS 158.A O no hydrogen 2.753 N/A LEU 163.A N MET 159.A O no hydrogen 2.869 N/A PHE 164.A N LEU 160.A O no hydrogen 3.051 N/A ILE 165.A N GLN 161.A O no hydrogen 3.129 N/A THR 166.A N ALA 162.A O no hydrogen 3.130 N/A THR 166.A OG1 SER 143.A OG no hydrogen 2.704 N/A THR 166.A OG1 ALA 162.A O no hydrogen 2.894 N/A ILE 167.A N LEU 163.A O no hydrogen 3.081 N/A THR 168.A N PHE 164.A O no hydrogen 3.007 N/A THR 168.A OG1 ILE 165.A O no hydrogen 3.217 N/A LEU 169.A N ILE 165.A O no hydrogen 3.003 N/A GLY 170.A N THR 166.A O no hydrogen 3.097 N/A VAL 171.A N ILE 167.A O no hydrogen 2.872 N/A TYR 172.A N THR 168.A O no hydrogen 2.710 N/A PHE 173.A N LEU 169.A O no hydrogen 2.907 N/A THR 174.A N GLY 170.A O no hydrogen 3.136 N/A THR 174.A OG1 GLY 170.A O no hydrogen 3.159 N/A LEU 175.A N VAL 171.A O no hydrogen 2.961 N/A LEU 176.A N TYR 172.A O no hydrogen 2.957 N/A GLN 177.A N PHE 173.A O no hydrogen 2.858 N/A GLN 177.A NE2 TYR 257.A OH no hydrogen 3.451 N/A ALA 178.A N THR 174.A O no hydrogen 2.989 N/A SER 179.A N LEU 175.A O no hydrogen 2.989 N/A GLU 180.A N LEU 176.A O no hydrogen 3.092 N/A TYR 181.A N GLN 177.A O no hydrogen 3.082 N/A TYR 181.A OH THR 201.A OG1 no hydrogen 2.658 N/A TYR 182.A N ALA 178.A O no hydrogen 3.217 N/A GLU 183.A N SER 179.A O no hydrogen 2.916 N/A ALA 184.A N GLU 180.A O no hydrogen 2.958 N/A THR 187.A N ASP 190.A OD2 no hydrogen 2.797 N/A THR 187.A OG1 SER 189.A OG no hydrogen 2.802 N/A SER 189.A N THR 187.A OG1 no hydrogen 3.117 N/A SER 189.A OG THR 187.A OG1 no hydrogen 2.802 N/A ASP 190.A N THR 187.A O no hydrogen 3.104 N/A GLY 191.A N SER 189.A O no hydrogen 2.880 N/A TYR 193.A OH SER 261.A OG no hydrogen 2.589 N/A GLY 194.A N ASP 190.A O no hydrogen 3.182 N/A SER 195.A N GLY 191.A O no hydrogen 2.863 N/A SER 195.A OG GLY 191.A O no hydrogen 2.997 N/A THR 196.A N VAL 192.A O no hydrogen 3.012 N/A PHE 197.A N TYR 193.A O no hydrogen 3.092 N/A PHE 198.A N GLY 194.A O no hydrogen 3.137 N/A VAL 199.A N SER 195.A O no hydrogen 3.111 N/A ALA 200.A N THR 196.A O no hydrogen 3.391 N/A THR 201.A N PHE 197.A O no hydrogen 3.075 N/A THR 201.A OG1 TYR 181.A OH no hydrogen 2.658 N/A THR 201.A OG1 PHE 197.A O no hydrogen 2.915 N/A GLY 202.A N PHE 198.A O no hydrogen 2.879 N/A PHE 203.A N VAL 199.A O no hydrogen 2.999 N/A HIS 204.A N ALA 200.A O no hydrogen 3.266 N/A HIS 204.A NE2 VAL 245.A O no hydrogen 2.797 N/A GLY 205.A N THR 201.A O no hydrogen 2.881 N/A LEU 206.A N GLY 202.A O no hydrogen 2.934 N/A HIS 207.A N PHE 203.A O no hydrogen 2.924 N/A HIS 207.A ND1 PHE 203.A O no hydrogen 2.812 N/A HIS 207.A NE2 GLU 90.A OE1 no hydrogen 2.864 N/A VAL 208.A N HIS 204.A O no hydrogen 2.902 N/A ILE 209.A N GLY 205.A O no hydrogen 3.252 N/A ILE 210.A N LEU 206.A O no hydrogen 3.026 N/A GLY 211.A N HIS 207.A O no hydrogen 2.914 N/A SER 212.A N VAL 208.A O no hydrogen 2.941 N/A SER 212.A OG VAL 208.A O no hydrogen 3.057 N/A THR 213.A N ILE 209.A O no hydrogen 3.094 N/A PHE 214.A N ILE 210.A O no hydrogen 3.100 N/A LEU 215.A N GLY 211.A O no hydrogen 2.875 N/A ILE 216.A N SER 212.A O no hydrogen 2.786 N/A VAL 217.A N THR 213.A O no hydrogen 2.786 N/A CYS 218.A N PHE 214.A O no hydrogen 2.964 N/A CYS 218.A SG PHE 214.A O no hydrogen 3.477 N/A CYS 218.A SG GLY 234.A O no hydrogen 3.408 N/A PHE 219.A N LEU 215.A O no hydrogen 2.824 N/A PHE 220.A N ILE 216.A O no hydrogen 3.131 N/A ARG 221.A N VAL 217.A O no hydrogen 3.087 N/A ARG 221.A NE HIS 226.A ND1 no hydrogen 3.130 N/A GLN 222.A N CYS 218.A O no hydrogen 3.028 N/A LEU 223.A N PHE 219.A O no hydrogen 3.012 N/A LYS 224.A N PHE 220.A O no hydrogen 3.176 N/A PHE 225.A N GLN 222.A O no hydrogen 3.030 N/A HIS 226.A N ARG 221.A O no hydrogen 2.938 N/A THR 228.A N HIS 231.A O no hydrogen 3.210 N/A THR 228.A OG1 HIS 231.A O no hydrogen 3.479 N/A ASN 230.A N THR 228.A OG1 no hydrogen 3.342 N/A HIS 231.A N THR 228.A OG1 no hydrogen 2.850 N/A HIS 232.A ND1 THR 228.A O no hydrogen 2.960 N/A PHE 235.A N HIS 232.A O no hydrogen 3.101 N/A GLU 236.A N HIS 232.A O no hydrogen 3.273 N/A ALA 237.A N PHE 233.A O no hydrogen 2.873 N/A GLY 238.A N GLY 234.A O no hydrogen 3.176 N/A ALA 239.A N PHE 235.A O no hydrogen 2.878 N/A TRP 240.A N GLU 236.A O no hydrogen 2.818 N/A TYR 241.A N ALA 237.A O no hydrogen 2.930 N/A TYR 241.A OH GLU 90.A OE2 no hydrogen 2.956 N/A TRP 242.A N GLY 238.A O no hydrogen 3.006 N/A TRP 242.A NE1 SER 140.A OG no hydrogen 2.835 N/A HIS 243.A N ALA 239.A O no hydrogen 3.104 N/A PHE 244.A N TRP 240.A O no hydrogen 3.069 N/A VAL 245.A N TYR 241.A O no hydrogen 3.064 N/A ASP 246.A N TRP 242.A O no hydrogen 3.076 N/A VAL 247.A N HIS 243.A O no hydrogen 2.851 N/A VAL 248.A N PHE 244.A O no hydrogen 2.857 N/A TRP 249.A N VAL 245.A O no hydrogen 3.279 N/A TRP 249.A NE1 THR 134.A OG1 no hydrogen 2.779 N/A LEU 250.A N ASP 246.A O no hydrogen 3.186 N/A PHE 251.A N VAL 247.A O no hydrogen 3.211 N/A LEU 252.A N VAL 248.A O no hydrogen 2.960 N/A TYR 253.A N TRP 249.A O no hydrogen 2.726 N/A TYR 253.A OH PRO 126.A O no hydrogen 2.808 N/A VAL 254.A N LEU 250.A O no hydrogen 3.000 N/A SER 255.A N PHE 251.A O no hydrogen 2.854 N/A SER 255.A OG TYR 102.A OH no hydrogen 2.780 N/A SER 255.A OG PHE 251.A O no hydrogen 2.916 N/A ILE 256.A N LEU 252.A O no hydrogen 2.780 N/A TYR 257.A N LEU 252.A O no hydrogen 3.489 N/A TRP 258.A N TYR 253.A O no hydrogen 2.945 N/A TRP 259.A N VAL 254.A O no hydrogen 3.094 N/A GLY 260.A N SER 255.A O no hydrogen 2.739 N/A SER 261.A N TRP 258.A O no hydrogen 3.389 N/A SER 261.A OG TYR 193.A OH no hydrogen 2.589 N/A SER 261.A OG ILE 256.A O no hydrogen 3.331 N/A SER 261.A OG GLY 260.A O no hydrogen 2.839 N/A