Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xyx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 6.A N ALA 2.A O no hydrogen 2.930 N/A ILE 7.A N PHE 3.A O no hydrogen 2.948 N/A TYR 8.A N SER 4.A O no hydrogen 3.250 N/A ASN 9.A N LYS 5.A O no hydrogen 3.156 N/A ALA 10.A N HIS 6.A O no hydrogen 3.196 N/A TYR 11.A N ILE 7.A O no hydrogen 3.088 N/A TYR 11.A OH ASP 166.A OD1 no hydrogen 2.915 N/A LEU 12.A N TYR 8.A O no hydrogen 2.998 N/A LYS 13.A N ASN 9.A O no hydrogen 2.723 N/A ASN 14.A N ALA 10.A O no hydrogen 3.110 N/A ASN 14.A N TYR 11.A O no hydrogen 3.117 N/A ASN 14.A ND2 ALA 10.A O no hydrogen 2.762 N/A PHE 15.A N TYR 11.A O no hydrogen 2.910 N/A LYS 19.A N ASP 166.A OD1 no hydrogen 2.702 N/A LYS 19.A NZ LEU 164.A O no hydrogen 2.710 N/A LYS 20.A N ASP 166.A OD2 no hydrogen 3.237 N/A LYS 21.A N THR 18.A OG1 no hydrogen 3.111 N/A LYS 21.A NZ ASN 128.A OD1 no hydrogen 3.061 N/A ALA 22.A N THR 18.A O no hydrogen 3.056 N/A ARG 23.A N LYS 19.A O no hydrogen 2.811 N/A ARG 23.A NE SER 117.A O no hydrogen 3.218 N/A ARG 23.A NH2 SER 117.A O no hydrogen 2.861 N/A ARG 23.A NH2 VAL 119.A O no hydrogen 2.678 N/A SER 24.A N LYS 20.A O no hydrogen 3.139 N/A SER 24.A OG LYS 20.A O no hydrogen 3.287 N/A SER 24.A OG LYS 21.A O no hydrogen 2.844 N/A ILE 25.A N LYS 21.A O no hydrogen 3.308 N/A LEU 26.A N ALA 22.A O no hydrogen 3.136 N/A THR 27.A N ARG 23.A O no hydrogen 2.941 N/A THR 27.A OG1 ARG 23.A O no hydrogen 3.074 N/A GLY 28.A N SER 24.A O no hydrogen 2.824 N/A PHE 32.A N SER 130.A O no hydrogen 2.818 N/A ILE 34.A N PHE 132.A O no hydrogen 2.825 N/A HIS 35.A N THR 39.A OG1 no hydrogen 3.193 N/A ASP 36.A N THR 39.A OG1 no hydrogen 3.169 N/A THR 39.A N ASP 36.A OD1 no hydrogen 3.204 N/A THR 39.A OG1 ASP 36.A O no hydrogen 3.037 N/A THR 39.A OG1 ASP 36.A OD1 no hydrogen 2.597 N/A LEU 40.A N ASP 36.A O no hydrogen 3.000 N/A TRP 41.A N ILE 37.A O no hydrogen 2.823 N/A GLN 42.A N GLU 38.A O no hydrogen 2.994 N/A GLN 42.A NE2 GLU 38.A OE1 no hydrogen 3.189 N/A GLN 42.A NE2 GLU 38.A OE2 no hydrogen 2.919 N/A ALA 43.A N THR 39.A O no hydrogen 2.879 N/A GLU 44.A N LEU 40.A O no hydrogen 3.194 N/A LYS 45.A N TRP 41.A O no hydrogen 3.182 N/A GLY 46.A N GLN 42.A O no hydrogen 2.664 N/A TRP 49.A NE1 ALA 43.A O no hydrogen 2.990 N/A GLY 55.A N LEU 52.A O no hydrogen 2.923 N/A LEU 56.A N VAL 53.A O no hydrogen 3.288 N/A HIS 65.A N GLU 61.A O no hydrogen 2.868 N/A HIS 65.A NE2 GLU 44.A OE2 no hydrogen 2.857 N/A VAL 66.A N ILE 62.A O no hydrogen 3.160 N/A PHE 67.A N SER 63.A O no hydrogen 3.162 N/A TYR 68.A N VAL 64.A O no hydrogen 2.902 N/A ARG 69.A N HIS 65.A O no hydrogen 2.955 N/A ARG 69.A NE GLU 44.A OE2 no hydrogen 2.691 N/A ARG 69.A NH1 GLN 51.A O no hydrogen 2.980 N/A ARG 69.A NH2 GLU 44.A OE1 no hydrogen 2.809 N/A ARG 69.A NH2 GLU 44.A OE2 no hydrogen 3.548 N/A ARG 69.A NH2 GLN 51.A O no hydrogen 3.448 N/A CYS 70.A N VAL 66.A O no hydrogen 2.901 N/A CYS 70.A SG VAL 66.A O no hydrogen 3.333 N/A GLN 71.A N PHE 67.A O no hydrogen 2.987 N/A GLN 71.A NE2 SER 249.A O no hydrogen 2.863 N/A CYS 72.A N TYR 68.A O no hydrogen 3.083 N/A CYS 72.A SG TYR 68.A O no hydrogen 3.535 N/A THR 73.A N ARG 69.A O no hydrogen 3.321 N/A THR 73.A OG1 ARG 69.A O no hydrogen 3.307 N/A THR 74.A N CYS 70.A O no hydrogen 2.938 N/A THR 74.A OG1 CYS 70.A O no hydrogen 2.751 N/A VAL 75.A N GLN 71.A O no hydrogen 3.153 N/A GLU 76.A N CYS 72.A O no hydrogen 2.894 N/A THR 77.A N THR 73.A O no hydrogen 2.996 N/A THR 77.A OG1 THR 73.A O no hydrogen 2.692 N/A VAL 78.A N THR 74.A O no hydrogen 2.958 N/A ARG 79.A N VAL 75.A O no hydrogen 3.073 N/A GLU 80.A N GLU 76.A O no hydrogen 3.051 N/A LEU 81.A N THR 77.A O no hydrogen 2.827 N/A THR 82.A N VAL 78.A O no hydrogen 2.980 N/A THR 82.A OG1 VAL 78.A O no hydrogen 2.717 N/A GLU 83.A N ARG 79.A O no hydrogen 3.230 N/A PHE 84.A N GLU 80.A O no hydrogen 2.958 N/A ALA 85.A N LEU 81.A O no hydrogen 3.045 N/A LYS 86.A N THR 82.A O no hydrogen 3.068 N/A LYS 86.A NZ GLU 83.A OE1 no hydrogen 3.515 N/A LYS 86.A NZ GLU 83.A OE2 no hydrogen 3.548 N/A SER 87.A N GLU 83.A O no hydrogen 3.152 N/A SER 87.A OG GLU 83.A O no hydrogen 2.896 N/A ILE 88.A N ALA 85.A O no hydrogen 3.020 N/A SER 92.A OG LYS 86.A O no hydrogen 2.693 N/A SER 93.A N SER 90.A O no hydrogen 3.320 N/A SER 93.A OG SER 90.A O no hydrogen 2.640 N/A LEU 94.A N PHE 91.A O no hydrogen 3.271 N/A ASP 98.A N PHE 95.A O no hydrogen 2.806 N/A GLN 99.A N PHE 95.A O no hydrogen 3.186 N/A GLN 99.A NE2 LEU 94.A O no hydrogen 2.668 N/A VAL 100.A N LEU 96.A O no hydrogen 3.049 N/A THR 101.A N ASN 97.A O no hydrogen 3.004 N/A THR 101.A OG1 ASN 97.A O no hydrogen 3.125 N/A LEU 102.A N ASP 98.A O no hydrogen 3.125 N/A LEU 103.A N GLN 99.A O no hydrogen 3.134 N/A LYS 104.A N VAL 100.A O no hydrogen 2.680 N/A LYS 104.A NZ TYR 105.A OH no hydrogen 2.960 N/A TYR 105.A N THR 101.A O no hydrogen 3.316 N/A TYR 105.A OH ASP 260.A OD2 no hydrogen 3.165 N/A GLY 106.A N LEU 102.A O no hydrogen 2.810 N/A VAL 107.A N LEU 103.A O no hydrogen 3.137 N/A ALA 110.A N GLY 106.A O no hydrogen 2.896 N/A ILE 111.A N VAL 107.A O no hydrogen 2.878 N/A PHE 112.A N HIS 108.A O no hydrogen 3.029 N/A ALA 113.A N GLU 109.A O no hydrogen 3.250 N/A MET 114.A N ALA 110.A O no hydrogen 3.039 N/A LEU 115.A N ILE 111.A O no hydrogen 2.833 N/A SER 117.A N MET 114.A O no hydrogen 3.174 N/A SER 117.A OG MET 114.A O no hydrogen 3.334 N/A ILE 118.A N LEU 115.A O no hydrogen 3.113 N/A VAL 119.A N ALA 116.A O no hydrogen 3.343 N/A ASN 120.A N GLY 123.A O no hydrogen 2.965 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 3.168 N/A GLY 123.A N ASN 120.A O no hydrogen 3.380 N/A LEU 124.A N VAL 133.A O no hydrogen 3.039 N/A LEU 125.A N ILE 118.A O no hydrogen 2.974 N/A VAL 126.A N GLY 131.A O no hydrogen 2.823 N/A GLY 129.A N VAL 126.A O no hydrogen 2.932 N/A SER 130.A N ALA 127.A O no hydrogen 2.891 N/A SER 130.A OG ALA 127.A O no hydrogen 2.933 N/A GLY 131.A N VAL 126.A O no hydrogen 3.301 N/A PHE 132.A N PHE 32.A O no hydrogen 2.833 N/A VAL 133.A N LEU 124.A O no hydrogen 2.875 N/A THR 134.A N ILE 34.A O no hydrogen 2.933 N/A ARG 135.A N ASP 122.A O no hydrogen 2.888 N/A ARG 135.A NE GLU 150.A OE2 no hydrogen 2.809 N/A ARG 135.A NH1 LYS 121.A O no hydrogen 2.775 N/A ARG 135.A NH2 GLU 150.A OE2 no hydrogen 2.694 N/A ARG 135.A NH2 GLU 154.A OE1 no hydrogen 3.508 N/A PHE 137.A N THR 134.A OG1 no hydrogen 3.296 N/A LEU 138.A N THR 134.A O no hydrogen 3.404 N/A ARG 139.A N ARG 135.A O no hydrogen 3.009 N/A SER 140.A N PHE 137.A O no hydrogen 3.140 N/A SER 140.A OG PHE 137.A O no hydrogen 2.542 N/A LEU 141.A N LEU 138.A O no hydrogen 3.350 N/A ARG 142.A N SER 63.A OG no hydrogen 3.030 N/A ARG 142.A NE GLU 61.A OE1 no hydrogen 3.040 N/A ARG 142.A NE GLU 61.A OE2 no hydrogen 2.807 N/A ARG 142.A NH2 GLU 61.A OE2 no hydrogen 3.010 N/A LYS 143.A NZ ASP 147.A OD1 no hydrogen 2.682 N/A LYS 143.A NZ ASP 147.A OD2 no hydrogen 3.260 N/A SER 146.A N ARG 142.A O no hydrogen 3.364 N/A SER 146.A OG LEU 141.A O no hydrogen 3.127 N/A ASP 147.A N PRO 144.A O no hydrogen 2.996 N/A LYS 152.A N ILE 149.A O no hydrogen 3.135 N/A LYS 152.A NZ ILE 148.A O no hydrogen 3.088 N/A PHE 153.A N ILE 149.A O no hydrogen 3.358 N/A GLU 154.A N GLU 150.A O no hydrogen 3.325 N/A PHE 155.A N PRO 151.A O no hydrogen 3.250 N/A ALA 156.A N LYS 152.A O no hydrogen 2.822 N/A VAL 157.A N PHE 153.A O no hydrogen 3.036 N/A PHE 159.A N PHE 155.A O no hydrogen 2.810 N/A ASN 160.A N ALA 156.A O no hydrogen 2.937 N/A ASN 160.A ND2 ALA 116.A O no hydrogen 2.810 N/A ASN 160.A ND2 VAL 119.A O no hydrogen 3.044 N/A LEU 162.A N PHE 159.A O no hydrogen 3.268 N/A GLU 163.A N ASN 160.A O no hydrogen 3.185 N/A ASP 165.A N ASP 168.A OD2 no hydrogen 2.847 N/A SER 167.A N ASP 165.A OD1 no hydrogen 3.357 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.637 N/A ASP 168.A N ASP 165.A O no hydrogen 3.048 N/A LEU 169.A N ASP 165.A O no hydrogen 3.016 N/A ALA 170.A N ASP 166.A O no hydrogen 3.119 N/A PHE 172.A N ASP 168.A O no hydrogen 2.975 N/A ILE 173.A N LEU 169.A O no hydrogen 2.839 N/A ALA 174.A N ALA 170.A O no hydrogen 3.247 N/A ALA 175.A N LEU 171.A O no hydrogen 2.993 N/A ILE 176.A N PHE 172.A O no hydrogen 3.124 N/A ILE 177.A N ILE 173.A O no hydrogen 3.211 N/A LEU 178.A N ALA 174.A O no hydrogen 3.105 N/A ARG 182.A NH1 GLU 109.A OE2 no hydrogen 3.087 N/A ARG 182.A NH2 GLU 109.A OE1 no hydrogen 2.788 N/A ARG 182.A NH2 ILE 176.A O no hydrogen 3.352 N/A MET 186.A N ASP 98.A OD1 no hydrogen 2.887 N/A ASN 187.A N ASP 98.A OD2 no hydrogen 3.031 N/A ARG 190.A N ASN 187.A OD1 no hydrogen 3.273 N/A VAL 191.A N ASN 187.A O no hydrogen 3.419 N/A GLU 192.A N VAL 188.A O no hydrogen 3.017 N/A ALA 193.A N PRO 189.A O no hydrogen 2.981 N/A ILE 194.A N ARG 190.A O no hydrogen 3.228 N/A GLN 195.A N VAL 191.A O no hydrogen 2.967 N/A GLN 195.A NE2 ALA 175.A O no hydrogen 3.623 N/A ASP 196.A N GLU 192.A O no hydrogen 2.938 N/A THR 197.A N ALA 193.A O no hydrogen 3.398 N/A THR 197.A OG1 ALA 193.A O no hydrogen 3.100 N/A ILE 198.A N ILE 194.A O no hydrogen 3.050 N/A LEU 199.A N GLN 195.A O no hydrogen 2.807 N/A ARG 200.A N ASP 196.A O no hydrogen 2.828 N/A ALA 201.A N THR 197.A O no hydrogen 2.886 N/A LEU 202.A N ILE 198.A O no hydrogen 2.846 N/A GLU 203.A N LEU 199.A O no hydrogen 2.993 N/A PHE 204.A N ARG 200.A O no hydrogen 3.178 N/A HIS 205.A N ALA 201.A O no hydrogen 3.112 N/A LEU 206.A N LEU 202.A O no hydrogen 2.929 N/A ASN 209.A N HIS 205.A O no hydrogen 2.924 N/A HIS 210.A N LEU 206.A O no hydrogen 3.345 N/A HIS 210.A NE2 ASP 168.A OD2 no hydrogen 2.631 N/A LYS 219.A N TYR 215.A O no hydrogen 3.354 N/A LYS 219.A NZ GLN 214.A O no hydrogen 3.075 N/A LYS 219.A NZ GLN 214.A OE1 no hydrogen 2.886 N/A LEU 220.A N LEU 216.A O no hydrogen 3.237 N/A LEU 221.A N PHE 217.A O no hydrogen 3.312 N/A GLN 222.A N PRO 218.A O no hydrogen 3.141 N/A GLN 222.A NE2 ASP 226.A OD1 no hydrogen 2.717 N/A LYS 223.A N LYS 219.A O no hydrogen 2.948 N/A MET 224.A N LEU 220.A O no hydrogen 3.196 N/A ALA 225.A N LEU 221.A O no hydrogen 3.424 N/A ASP 226.A N GLN 222.A O no hydrogen 2.923 N/A LEU 227.A N LYS 223.A O no hydrogen 3.015 N/A ARG 228.A N MET 224.A O no hydrogen 3.332 N/A ARG 228.A N ALA 225.A O no hydrogen 3.076 N/A GLN 229.A N ALA 225.A O no hydrogen 3.379 N/A GLN 229.A NE2 GLN 229.A O no hydrogen 3.378 N/A LEU 230.A N ASP 226.A O no hydrogen 3.090 N/A VAL 231.A N LEU 227.A O no hydrogen 3.166 N/A THR 232.A N ARG 228.A O no hydrogen 3.222 N/A THR 232.A OG1 ARG 228.A O no hydrogen 3.141 N/A GLU 233.A N GLN 229.A O no hydrogen 3.248 N/A HIS 234.A N LEU 230.A O no hydrogen 3.053 N/A ALA 235.A N VAL 231.A O no hydrogen 2.877 N/A GLN 236.A N THR 232.A O no hydrogen 3.052 N/A MET 237.A N GLU 233.A O no hydrogen 2.930 N/A MET 238.A N HIS 234.A O no hydrogen 2.859 N/A GLN 239.A N ALA 235.A O no hydrogen 2.748 N/A GLN 239.A NE2 TYR 258.A O no hydrogen 2.803 N/A ARG 240.A N GLN 236.A O no hydrogen 3.087 N/A ILE 241.A N MET 237.A O no hydrogen 3.002 N/A LYS 242.A N MET 238.A O no hydrogen 3.305 N/A LYS 243.A N GLN 239.A O no hydrogen 3.312 N/A LYS 243.A N ARG 240.A O no hydrogen 3.207 N/A THR 244.A N ARG 240.A O no hydrogen 2.887 N/A THR 244.A OG1 ARG 240.A O no hydrogen 3.027 N/A GLU 245.A N ILE 241.A O no hydrogen 2.818 N/A GLU 247.A N GLU 245.A O no hydrogen 2.868 N/A THR 248.A N GLU 245.A O no hydrogen 3.143 N/A SER 249.A N TYR 68.A OH no hydrogen 3.017 N/A LEU 253.A N HIS 251.A ND1 no hydrogen 3.006 N/A GLN 255.A N HIS 251.A O no hydrogen 2.941 N/A GLU 256.A N PRO 252.A O no hydrogen 3.093 N/A ILE 257.A N LEU 253.A O no hydrogen 3.225 N/A TYR 258.A N LEU 254.A O no hydrogen 2.957 N/A TYR 258.A OH HIS 108.A NE2 no hydrogen 2.682 N/A LYS 259.A N GLN 255.A O no hydrogen 3.046 N/A