Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wxi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 TYR 223.A O no hydrogen 2.874 N/A GLN 3.A NE2 LYS 227.A O no hydrogen 3.100 N/A GLN 4.A N THR 1.A OG1 no hydrogen 3.218 N/A GLN 5.A N THR 1.A O no hydrogen 3.123 N/A ILE 6.A N LEU 2.A O no hydrogen 2.886 N/A ILE 7.A N GLN 3.A O no hydrogen 3.057 N/A LYS 8.A N GLN 4.A O no hydrogen 3.129 N/A ALA 9.A N GLN 5.A O no hydrogen 2.943 N/A LEU 10.A N ILE 6.A O no hydrogen 2.974 N/A GLY 11.A N LYS 8.A O no hydrogen 3.283 N/A ALA 12.A N ILE 7.A O no hydrogen 3.178 N/A GLU 19.A N GLU 19.A OE2 no hydrogen 2.646 N/A GLU 21.A N ASN 17.A O no hydrogen 2.961 N/A ILE 22.A N ALA 18.A O no hydrogen 2.995 N/A ARG 23.A N GLU 19.A O no hydrogen 3.024 N/A ARG 23.A NH1 GLU 65.A OE1 no hydrogen 2.774 N/A ARG 23.A NH2 ASP 27.A OD1 no hydrogen 3.067 N/A ARG 23.A NH2 GLU 65.A OE1 no hydrogen 3.499 N/A ARG 23.A NH2 GLU 65.A OE2 no hydrogen 2.855 N/A ARG 24.A N GLU 20.A O no hydrogen 2.979 N/A ARG 24.A NE GLU 21.A OE1 no hydrogen 2.842 N/A ARG 24.A NH2 GLU 21.A OE2 no hydrogen 2.894 N/A SER 25.A N GLU 21.A O no hydrogen 3.063 N/A SER 25.A OG PRO 182.A O no hydrogen 2.666 N/A VAL 26.A N ILE 22.A O no hydrogen 2.996 N/A ASP 27.A N ARG 23.A O no hydrogen 2.828 N/A PHE 28.A N ARG 24.A O no hydrogen 3.106 N/A LEU 29.A N SER 25.A O no hydrogen 3.109 N/A LYS 30.A N VAL 26.A O no hydrogen 2.978 N/A LYS 30.A NZ GLU 65.A OE2 no hydrogen 2.822 N/A LYS 30.A NZ GLU 69.A OE1 no hydrogen 2.746 N/A LYS 30.A NZ GLU 69.A OE2 no hydrogen 3.515 N/A SER 31.A N ASP 27.A O no hydrogen 2.897 N/A TYR 32.A N PHE 28.A O no hydrogen 3.059 N/A LEU 33.A N LEU 29.A O no hydrogen 3.172 N/A GLN 34.A N LYS 30.A O no hydrogen 3.056 N/A GLN 34.A NE2 LYS 30.A O no hydrogen 3.582 N/A THR 35.A N SER 31.A O no hydrogen 3.060 N/A THR 35.A N TYR 32.A O no hydrogen 3.117 N/A THR 35.A OG1 SER 31.A O no hydrogen 2.860 N/A TYR 36.A N TYR 32.A O no hydrogen 3.036 N/A ILE 39.A N TYR 36.A O no hydrogen 3.063 N/A LYS 40.A N SER 153.A O no hydrogen 2.757 N/A SER 41.A OG THR 152.A O no hydrogen 3.048 N/A LEU 42.A N GLN 76.A O no hydrogen 3.179 N/A VAL 43.A N VAL 155.A O no hydrogen 2.939 N/A LEU 44.A N ILE 78.A O no hydrogen 3.140 N/A ILE 46.A N VAL 80.A O no hydrogen 2.866 N/A SER 47.A N SER 52.A OG no hydrogen 3.149 N/A SER 47.A OG SER 52.A OG no hydrogen 3.086 N/A GLY 49.A N SER 47.A OG no hydrogen 3.402 N/A GLN 50.A NE2 LYS 188.A O no hydrogen 3.145 N/A SER 52.A OG SER 47.A OG no hydrogen 3.086 N/A THR 53.A N GLY 49.A O no hydrogen 3.151 N/A THR 53.A OG1 GLY 49.A O no hydrogen 2.841 N/A LEU 54.A N GLN 50.A O no hydrogen 3.018 N/A ALA 55.A N ASP 51.A O no hydrogen 2.971 N/A GLY 56.A N SER 52.A O no hydrogen 2.866 N/A LYS 57.A N THR 53.A O no hydrogen 3.105 N/A LYS 57.A NZ PHE 99.A O no hydrogen 2.877 N/A LEU 58.A N LEU 54.A O no hydrogen 3.126 N/A CYS 59.A N ALA 55.A O no hydrogen 2.931 N/A CYS 59.A SG ALA 55.A O no hydrogen 3.366 N/A GLN 60.A N GLY 56.A O no hydrogen 3.049 N/A MET 61.A N LYS 57.A O no hydrogen 2.999 N/A ALA 62.A N LEU 58.A O no hydrogen 2.999 N/A ILE 63.A N CYS 59.A O no hydrogen 3.062 N/A ASN 64.A N GLN 60.A O no hydrogen 2.802 N/A GLU 65.A N MET 61.A O no hydrogen 2.990 N/A LEU 66.A N ALA 62.A O no hydrogen 3.031 N/A ARG 67.A N ILE 63.A O no hydrogen 2.959 N/A ARG 67.A NE LEU 75.A O no hydrogen 2.973 N/A ARG 67.A NH1 ASP 103.A OD1 no hydrogen 2.812 N/A ARG 67.A NH2 LEU 75.A O no hydrogen 2.900 N/A LEU 68.A N ASN 64.A O no hydrogen 3.344 N/A GLU 69.A N GLU 65.A O no hydrogen 2.984 N/A THR 70.A N LEU 66.A O no hydrogen 2.893 N/A THR 70.A OG1 LEU 66.A O no hydrogen 2.838 N/A GLY 71.A N ARG 67.A O no hydrogen 2.647 N/A ASN 72.A N THR 70.A OG1 no hydrogen 3.120 N/A SER 74.A N ASN 72.A OD1 no hydrogen 2.881 N/A SER 74.A OG ASN 72.A OD1 no hydrogen 2.404 N/A GLN 76.A N LYS 40.A O no hydrogen 2.982 N/A PHE 77.A N ASP 103.A OD2 no hydrogen 2.877 N/A ILE 78.A N LEU 42.A O no hydrogen 2.813 N/A ALA 79.A N ARG 104.A O no hydrogen 2.871 N/A VAL 80.A N LEU 44.A O no hydrogen 2.825 N/A ARG 81.A N LEU 106.A O no hydrogen 2.776 N/A ARG 81.A NH1 ILE 46.A O no hydrogen 2.863 N/A ARG 81.A NH2 GLU 90.A OE1 no hydrogen 3.082 N/A ARG 81.A NH2 GLU 90.A OE2 no hydrogen 3.529 N/A GLY 85.A N ASN 109.A OD1 no hydrogen 3.089 N/A CYS 93.A N ASP 89.A O no hydrogen 3.294 N/A CYS 93.A SG SER 47.A O no hydrogen 3.234 N/A CYS 93.A SG GLN 87.A OE1 no hydrogen 3.835 N/A CYS 93.A SG ASP 89.A O no hydrogen 3.635 N/A GLN 94.A N GLU 90.A O no hydrogen 3.047 N/A GLN 94.A NE2 GLU 90.A OE2 no hydrogen 3.471 N/A ASP 95.A N GLN 91.A O no hydrogen 2.990 N/A ALA 96.A N ASP 92.A O no hydrogen 2.860 N/A ILE 97.A N CYS 93.A O no hydrogen 2.959 N/A ALA 98.A N GLN 94.A O no hydrogen 3.012 N/A PHE 99.A N ASP 95.A O no hydrogen 3.068 N/A ILE 100.A N ALA 96.A O no hydrogen 2.935 N/A GLN 101.A N ILE 97.A O no hydrogen 2.768 N/A ARG 104.A N PHE 77.A O no hydrogen 3.338 N/A ARG 104.A NH1 GLN 76.A OE1 no hydrogen 3.170 N/A LEU 106.A N ALA 79.A O no hydrogen 2.954 N/A VAL 108.A N ARG 81.A O no hydrogen 2.845 N/A ASN 109.A ND2 GLY 85.A O no hydrogen 2.886 N/A ILE 110.A N PRO 83.A O no hydrogen 3.134 N/A LYS 111.A N ASN 109.A OD1 no hydrogen 3.095 N/A VAL 114.A N ILE 110.A O no hydrogen 3.112 N/A LEU 115.A N LYS 111.A O no hydrogen 2.978 N/A ALA 116.A N GLY 112.A O no hydrogen 3.054 N/A SER 117.A N ALA 113.A O no hydrogen 2.949 N/A SER 117.A OG ALA 113.A O no hydrogen 3.137 N/A GLU 118.A N VAL 114.A O no hydrogen 2.962 N/A GLN 119.A N LEU 115.A O no hydrogen 2.944 N/A GLN 119.A NE2 GLU 123.A OE1 no hydrogen 2.984 N/A ALA 120.A N ALA 116.A O no hydrogen 3.089 N/A LEU 121.A N SER 117.A O no hydrogen 3.124 N/A ARG 122.A N GLU 118.A O no hydrogen 2.868 N/A ARG 122.A NE GLU 127.A OE1 no hydrogen 2.711 N/A ARG 122.A NH1 GLN 119.A OE1 no hydrogen 3.102 N/A GLU 123.A N GLN 119.A O no hydrogen 3.025 N/A ALA 124.A N LEU 121.A O no hydrogen 3.113 N/A GLY 125.A N ARG 122.A O no hydrogen 2.981 N/A ILE 126.A N LEU 121.A O no hydrogen 2.829 N/A VAL 132.A N SER 129.A OG no hydrogen 3.295 N/A ARG 133.A N SER 129.A O no hydrogen 2.935 N/A ARG 133.A NE GLU 118.A OE1 no hydrogen 3.034 N/A ARG 133.A NH2 GLU 118.A OE1 no hydrogen 3.388 N/A GLY 134.A N ASP 130.A O no hydrogen 3.019 N/A ASN 135.A N PHE 131.A O no hydrogen 3.303 N/A GLU 136.A N VAL 132.A O no hydrogen 2.988 N/A LYS 137.A N ARG 133.A O no hydrogen 3.001 N/A ALA 138.A N GLY 134.A O no hydrogen 3.142 N/A ARG 139.A N ASN 135.A O no hydrogen 2.908 N/A ARG 139.A NE LYS 172.A O no hydrogen 2.982 N/A ARG 139.A NH2 LYS 172.A O no hydrogen 2.937 N/A GLU 140.A N GLU 136.A O no hydrogen 2.941 N/A ARG 141.A N LYS 137.A O no hydrogen 3.060 N/A ARG 141.A NE LEU 82.A O no hydrogen 2.873 N/A ARG 141.A NH2 LEU 82.A O no hydrogen 3.011 N/A MET 142.A N ALA 138.A O no hydrogen 3.171 N/A LYS 143.A N ARG 139.A O no hydrogen 3.006 N/A LYS 143.A NZ GLU 140.A OE2 no hydrogen 3.188 N/A ALA 144.A N GLU 140.A O no hydrogen 2.978 N/A GLN 145.A N ARG 141.A O no hydrogen 3.126 N/A GLN 145.A NE2 ARG 141.A O no hydrogen 3.181 N/A TYR 146.A N MET 142.A O no hydrogen 2.995 N/A TYR 146.A OH ASP 179.A OD1 no hydrogen 2.733 N/A SER 147.A N LYS 143.A O no hydrogen 3.026 N/A SER 147.A OG LYS 143.A O no hydrogen 3.370 N/A ILE 148.A N ALA 144.A O no hydrogen 3.050 N/A ALA 149.A N GLN 145.A O no hydrogen 2.886 N/A GLY 150.A N TYR 146.A O no hydrogen 2.868 N/A MET 151.A N SER 147.A O no hydrogen 3.194 N/A MET 151.A N ILE 148.A O no hydrogen 3.153 N/A THR 152.A N ILE 148.A O no hydrogen 3.047 N/A THR 152.A N ALA 149.A O no hydrogen 3.345 N/A THR 152.A OG1 ILE 148.A O no hydrogen 2.818 N/A GLY 154.A N ALA 149.A O no hydrogen 2.936 N/A VAL 155.A N SER 41.A O no hydrogen 3.113 N/A VAL 156.A N ASP 179.A OD2 no hydrogen 2.724 N/A VAL 157.A N VAL 43.A O no hydrogen 2.834 N/A GLY 158.A N ILE 180.A O no hydrogen 2.869 N/A HIS 161.A NE2 ASP 51.A OD2 no hydrogen 2.881 N/A ALA 162.A N LEU 186.A O no hydrogen 2.874 N/A GLU 164.A N HIS 161.A O no hydrogen 3.061 N/A ALA 165.A N HIS 161.A O no hydrogen 2.858 N/A ILE 166.A N ALA 162.A O no hydrogen 3.123 N/A THR 167.A OG1 GLU 164.A O no hydrogen 3.482 N/A GLY 168.A N ALA 165.A O no hydrogen 3.148 N/A PHE 169.A N GLU 164.A O no hydrogen 3.044 N/A PHE 170.A N GLY 168.A O no hydrogen 2.899 N/A THR 171.A N ASP 175.A OD1 no hydrogen 2.805 N/A THR 171.A OG1 ASN 135.A OD1 no hydrogen 2.891 N/A GLY 174.A N THR 171.A O no hydrogen 2.766 N/A GLY 176.A N THR 171.A O no hydrogen 3.232 N/A GLY 177.A N GLY 174.A O no hydrogen 2.962 N/A ASP 179.A N VAL 156.A O no hydrogen 2.797 N/A ILE 180.A N VAL 156.A O no hydrogen 3.294 N/A ASN 181.A ND2 THR 178.A OG1 no hydrogen 2.689 N/A TYR 184.A N ASN 181.A O no hydrogen 3.446 N/A TYR 184.A OH ALA 9.A O no hydrogen 3.379 N/A ARG 185.A NE GLU 21.A OE1 no hydrogen 2.730 N/A ARG 185.A NH1 PRO 182.A O no hydrogen 3.040 N/A ARG 185.A NH1 TYR 184.A O no hydrogen 3.128 N/A ARG 185.A NH2 GLU 21.A OE1 no hydrogen 2.925 N/A ARG 185.A NH2 SER 25.A OG no hydrogen 2.975 N/A LEU 186.A N LEU 183.A O no hydrogen 3.148 N/A ASN 187.A N GLN 190.A OE1 no hydrogen 3.043 N/A LYS 188.A N ASP 221.A OD1 no hydrogen 2.875 N/A LYS 188.A NZ ASP 51.A OD1 no hydrogen 2.949 N/A ARG 189.A N ASP 221.A OD2 no hydrogen 2.799 N/A ARG 189.A NH1 ASP 222.A OD1 no hydrogen 2.888 N/A ARG 189.A NH1 GLU 225.A OE2 no hydrogen 2.879 N/A ARG 189.A NH2 ASP 218.A OD1 no hydrogen 3.167 N/A ARG 189.A NH2 ASP 222.A OD1 no hydrogen 3.001 N/A GLN 190.A NE2 LYS 13.A O no hydrogen 3.003 N/A GLY 191.A N ASN 187.A O no hydrogen 3.187 N/A GLY 191.A N LYS 188.A O no hydrogen 3.081 N/A LYS 192.A N LYS 188.A O no hydrogen 3.354 N/A LYS 192.A NZ GLN 50.A OE1 no hydrogen 2.652 N/A LYS 192.A NZ TYR 205.A O no hydrogen 2.604 N/A GLN 193.A N ARG 189.A O no hydrogen 3.077 N/A GLN 193.A NE2 ARG 189.A O no hydrogen 3.390 N/A LEU 194.A N GLN 190.A O no hydrogen 3.110 N/A LEU 195.A N GLY 191.A O no hydrogen 3.128 N/A ALA 196.A N LYS 192.A O no hydrogen 2.869 N/A ALA 197.A N GLN 193.A O no hydrogen 3.105 N/A LEU 198.A N LEU 194.A O no hydrogen 3.091 N/A LEU 198.A N LEU 195.A O no hydrogen 3.059 N/A ALA 199.A N ALA 196.A O no hydrogen 3.011 N/A CYS 200.A N LEU 195.A O no hydrogen 2.996 N/A CYS 200.A SG PRO 201.A O no hydrogen 3.608 N/A HIS 203.A NE2 ASP 95.A OD1 no hydrogen 2.839 N/A LEU 204.A N PRO 201.A O no hydrogen 3.011 N/A TYR 205.A N GLU 202.A O no hydrogen 3.090 N/A LYS 206.A N GLU 202.A O no hydrogen 2.750 N/A LEU 213.A N ASP 209.A O no hydrogen 3.209 N/A GLY 214.A N GLU 210.A O no hydrogen 3.447 N/A TYR 217.A OH ASP 209.A OD1 no hydrogen 2.585 N/A ASN 219.A N THR 216.A OG1 no hydrogen 3.194 N/A ILE 220.A N THR 216.A O no hydrogen 3.094 N/A ASP 221.A N TYR 217.A O no hydrogen 2.761 N/A ASP 222.A N ASP 218.A O no hydrogen 2.947 N/A TYR 223.A N ASN 219.A O no hydrogen 2.964 N/A TYR 223.A OH GLU 238.A OE2 no hydrogen 2.689 N/A LEU 224.A N ILE 220.A O no hydrogen 2.948 N/A GLU 225.A N ASP 221.A O no hydrogen 2.962 N/A GLU 225.A N ASP 222.A O no hydrogen 3.127 N/A GLY 226.A N TYR 223.A O no hydrogen 3.035 N/A LYS 227.A N ASP 222.A O no hydrogen 3.026 N/A ALA 234.A N PRO 230.A O no hydrogen 3.033 N/A ARG 235.A N GLN 231.A O no hydrogen 2.934 N/A THR 236.A N GLN 232.A O no hydrogen 3.184 N/A THR 236.A OG1 GLN 232.A O no hydrogen 3.009 N/A ILE 237.A N VAL 233.A O no hydrogen 3.118 N/A GLU 238.A N ALA 234.A O no hydrogen 2.943 N/A ASN 239.A N ARG 235.A O no hydrogen 2.904 N/A TRP 240.A N THR 236.A O no hydrogen 3.158 N/A TRP 240.A NE1 LEU 213.A O no hydrogen 2.902 N/A TYR 241.A N ILE 237.A O no hydrogen 3.028 N/A LEU 242.A N GLU 238.A O no hydrogen 3.052 N/A LYS 243.A N ASN 239.A O no hydrogen 2.992 N/A THR 244.A N TRP 240.A O no hydrogen 3.107 N/A THR 244.A N TYR 241.A O no hydrogen 3.243 N/A THR 244.A OG1 TRP 240.A O no hydrogen 2.807 N/A THR 244.A OG1 TYR 241.A O no hydrogen 3.403 N/A LYS 247.A N THR 244.A O no hydrogen 2.926 N/A LYS 247.A NZ GLY 168.A O no hydrogen 2.973 N/A LYS 247.A NZ PHE 170.A O no hydrogen 2.808 N/A ARG 248.A N GLU 245.A O no hydrogen 3.050 N/A ARG 248.A NH1 TYR 241.A O no hydrogen 2.737 N/A ARG 248.A NH1 GLU 245.A OE1 no hydrogen 2.856 N/A ARG 248.A NH2 ALA 165.A O no hydrogen 2.913 N/A ARG 248.A NH2 THR 244.A OG1 no hydrogen 2.957 N/A ARG 249.A NE GLU 245.A OE2 no hydrogen 2.664 N/A THR 253.A N ASP 256.A OD2 no hydrogen 2.911 N/A PHE 255.A N THR 253.A OG1 no hydrogen 3.203 N/A ASP 256.A N THR 253.A O no hydrogen 3.096 N/A LYS 260.A N ASP 257.A O no hydrogen 3.023 N/A LYS 261.A N PHE 258.A O no hydrogen 3.385 N/A LYS 261.A NZ ASP 257.A O no hydrogen 3.106 N/A LYS 261.A NZ ASP 257.A OD2 no hydrogen 2.684 N/A