Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rxy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG VAL 3.A O no hydrogen 2.769 N/A SER 1.A OG LEU 8.A O no hydrogen 3.187 N/A ASP 2.A N LEU 8.A O no hydrogen 3.042 N/A VAL 3.A N SER 1.A OG no hydrogen 3.228 N/A HIS 5.A N GLU 77.A OE2 no hydrogen 2.971 N/A HIS 5.A ND1 GLU 77.A OE1 no hydrogen 2.837 N/A LEU 6.A N GLU 77.A OE2 no hydrogen 3.208 N/A THR 9.A N ASP 12.A OD2 no hydrogen 2.950 N/A LYS 10.A N ASP 2.A OD2 no hydrogen 3.033 N/A ASP 12.A N THR 9.A O no hydrogen 3.172 N/A LEU 13.A N LYS 10.A O no hydrogen 3.097 N/A GLN 14.A N ASN 11.A O no hydrogen 3.232 N/A ALA 16.A N LEU 13.A O no hydrogen 3.058 N/A ALA 19.A N THR 85.A O no hydrogen 2.982 N/A ILE 20.A N ILE 60.A O no hydrogen 2.856 N/A VAL 21.A N LEU 87.A O no hydrogen 2.898 N/A ASP 26.A N ASP 24.A OD2 no hydrogen 2.910 N/A ARG 27.A N ASP 24.A O no hydrogen 2.986 N/A VAL 28.A N PRO 25.A O no hydrogen 3.481 N/A ILE 31.A N ARG 27.A O no hydrogen 3.350 N/A ALA 32.A N VAL 28.A O no hydrogen 3.046 N/A ALA 33.A N GLU 29.A O no hydrogen 2.964 N/A LEU 34.A N ILE 31.A O no hydrogen 3.147 N/A MET 35.A N ALA 32.A O no hydrogen 3.016 N/A ASP 36.A N GLU 53.A O no hydrogen 2.971 N/A VAL 39.A N ARG 51.A O no hydrogen 2.885 N/A LEU 41.A N THR 49.A O no hydrogen 2.904 N/A ALA 42.A N THR 49.A O no hydrogen 3.376 N/A SER 43.A OG THR 48.A OG1 no hydrogen 3.352 N/A HIS 44.A N PHE 47.A O no hydrogen 3.066 N/A GLU 46.A N GLU 46.A OE2 no hydrogen 2.885 N/A PHE 47.A N HIS 44.A O no hydrogen 2.928 N/A THR 48.A N SER 63.A OG no hydrogen 2.974 N/A THR 48.A OG1 SER 43.A OG no hydrogen 3.352 N/A THR 49.A N ALA 42.A O no hydrogen 2.994 N/A TRP 50.A N VAL 61.A O no hydrogen 2.936 N/A ARG 51.A N VAL 39.A O no hydrogen 2.899 N/A ARG 51.A NH2 ASP 12.A O no hydrogen 2.938 N/A ALA 52.A N VAL 59.A O no hydrogen 3.009 N/A GLU 53.A N ASP 36.A O no hydrogen 2.857 N/A LEU 54.A N LYS 57.A O no hydrogen 2.915 N/A LYS 57.A N LEU 54.A O no hydrogen 3.035 N/A VAL 59.A N ALA 52.A O no hydrogen 2.925 N/A ILE 60.A N LEU 18.A O no hydrogen 3.120 N/A VAL 61.A N TRP 50.A O no hydrogen 2.956 N/A CYS 62.A N ILE 20.A O no hydrogen 3.091 N/A CYS 62.A SG THR 49.A OG1 no hydrogen 3.427 N/A CYS 62.A SG SER 63.A O no hydrogen 3.754 N/A SER 63.A N THR 48.A O no hydrogen 3.067 N/A SER 63.A OG GLU 46.A O no hydrogen 2.785 N/A THR 64.A N PRO 22.A O no hydrogen 3.045 N/A THR 64.A OG1 PRO 22.A O no hydrogen 3.497 N/A THR 64.A OG1 GLY 65.A O no hydrogen 2.842 N/A GLY 65.A N GLY 23.A O no hydrogen 3.074 N/A GLY 67.A N GLU 195.A OE2 no hydrogen 2.824 N/A SER 70.A OG THR 64.A O no hydrogen 2.708 N/A SER 70.A OG ILE 66.A O no hydrogen 3.430 N/A THR 71.A N GLY 67.A O no hydrogen 3.194 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.868 N/A SER 72.A N GLY 68.A O no hydrogen 2.892 N/A SER 72.A OG GLY 68.A O no hydrogen 3.541 N/A SER 72.A OG PRO 69.A O no hydrogen 2.750 N/A ILE 73.A N PRO 69.A O no hydrogen 3.290 N/A ALA 74.A N SER 70.A O no hydrogen 3.113 N/A VAL 75.A N THR 71.A O no hydrogen 2.969 N/A GLU 76.A N SER 72.A O no hydrogen 3.160 N/A GLU 77.A N ILE 73.A O no hydrogen 3.039 N/A LEU 78.A N ALA 74.A O no hydrogen 3.009 N/A ALA 79.A N VAL 75.A O no hydrogen 2.956 N/A GLN 80.A N GLU 76.A O no hydrogen 2.951 N/A GLN 80.A NE2 GLU 76.A OE1 no hydrogen 2.866 N/A LEU 81.A N GLU 77.A O no hydrogen 3.219 N/A LEU 81.A N LEU 78.A O no hydrogen 3.037 N/A GLY 82.A N ALA 79.A O no hydrogen 3.070 N/A ILE 83.A N LEU 78.A O no hydrogen 3.077 N/A ARG 84.A N THR 17.A O no hydrogen 2.912 N/A ARG 84.A NH1 ALA 79.A O no hydrogen 2.992 N/A ARG 84.A NH1 ILE 83.A O no hydrogen 2.963 N/A THR 85.A N THR 17.A O no hydrogen 3.210 N/A PHE 86.A N ARG 209.A O no hydrogen 2.871 N/A LEU 87.A N ALA 19.A O no hydrogen 3.064 N/A ARG 88.A N GLY 211.A O no hydrogen 2.993 N/A ARG 88.A NH2 THR 64.A OG1 no hydrogen 3.023 N/A GLY 90.A N VAL 213.A O no hydrogen 3.141 N/A THR 92.A N GLY 215.A O no hydrogen 3.079 N/A THR 92.A OG1 TYR 192.A O no hydrogen 2.847 N/A ALA 94.A N VAL 218.A O no hydrogen 3.027 N/A ILE 95.A N MET 190.A O no hydrogen 2.928 N/A GLN 96.A NE2 GLN 185.A O no hydrogen 3.040 N/A GLN 96.A NE2 VAL 189.A O no hydrogen 2.881 N/A ILE 99.A N GLN 96.A O no hydrogen 3.346 N/A ASN 100.A N ASP 103.A OD1 no hydrogen 2.964 N/A GLY 102.A N VAL 216.A O no hydrogen 3.141 N/A ASP 103.A N ASN 100.A O no hydrogen 3.049 N/A VAL 104.A N THR 147.A O no hydrogen 3.007 N/A LEU 105.A N ALA 214.A O no hydrogen 2.879 N/A VAL 106.A N HIS 149.A O no hydrogen 2.943 N/A THR 107.A N MET 212.A O no hydrogen 3.180 N/A THR 107.A OG1 THR 153.A OG1 no hydrogen 2.800 N/A THR 108.A N GLY 151.A O no hydrogen 2.884 N/A SER 110.A N ALA 127.A O no hydrogen 2.928 N/A SER 110.A OG SER 196.A OG no hydrogen 2.758 N/A VAL 111.A N THR 153.A O no hydrogen 2.841 N/A ARG 112.A NE SER 117.A OG no hydrogen 2.960 N/A ARG 112.A NH1 PRO 122.A O no hydrogen 2.918 N/A ARG 112.A NH1 PHE 125.A O no hydrogen 2.871 N/A ARG 112.A NH2 SER 117.A OG no hydrogen 3.051 N/A ARG 112.A NH2 ALA 121.A O no hydrogen 2.935 N/A LEU 113.A N VAL 111.A O no hydrogen 3.195 N/A LEU 113.A N SER 155.A O no hydrogen 3.019 N/A GLY 115.A N ASP 157.A OD1 no hydrogen 2.925 N/A SER 117.A N ASP 114.A OD1 no hydrogen 2.960 N/A SER 117.A OG ASP 114.A OD1 no hydrogen 3.220 N/A SER 117.A OG ASP 114.A OD2 no hydrogen 2.671 N/A LEU 118.A N GLY 115.A O no hydrogen 3.317 N/A HIS 119.A N ALA 116.A O no hydrogen 2.991 N/A PHE 120.A N SER 117.A O no hydrogen 3.016 N/A ALA 121.A N SER 117.A O no hydrogen 3.146 N/A GLU 124.A N GLU 124.A OE2 no hydrogen 2.863 N/A PHE 125.A N PRO 122.A O no hydrogen 3.024 N/A ALA 129.A N THR 108.A O no hydrogen 2.910 N/A ASP 130.A N ALA 210.A O no hydrogen 2.909 N/A CYS 133.A N ASP 130.A OD1 no hydrogen 3.021 N/A CYS 133.A SG ASP 130.A OD1 no hydrogen 3.645 N/A THR 134.A N ASP 130.A O no hydrogen 3.041 N/A THR 134.A OG1 ASP 130.A O no hydrogen 3.097 N/A THR 135.A N PHE 131.A O no hydrogen 3.039 N/A THR 135.A OG1 PHE 131.A O no hydrogen 2.899 N/A ALA 136.A N GLU 132.A O no hydrogen 3.051 N/A LEU 137.A N CYS 133.A O no hydrogen 3.018 N/A VAL 138.A N THR 134.A O no hydrogen 3.062 N/A GLU 139.A N THR 135.A O no hydrogen 3.061 N/A ALA 140.A N ALA 136.A O no hydrogen 2.992 N/A ALA 141.A N LEU 137.A O no hydrogen 3.007 N/A LYS 142.A N VAL 138.A O no hydrogen 3.091 N/A SER 143.A N GLU 139.A O no hydrogen 3.064 N/A SER 143.A OG ALA 140.A O no hydrogen 2.664 N/A ILE 144.A N ALA 141.A O no hydrogen 3.365 N/A GLY 145.A N LYS 142.A O no hydrogen 3.071 N/A ALA 146.A N ALA 141.A O no hydrogen 3.174 N/A THR 148.A OG1 ALA 146.A O no hydrogen 3.252 N/A HIS 149.A N VAL 104.A O no hydrogen 2.965 N/A HIS 149.A NE2 ASP 103.A OD1 no hydrogen 2.902 N/A GLY 151.A N VAL 106.A O no hydrogen 3.184 N/A THR 153.A N ALA 109.A O no hydrogen 3.246 N/A THR 153.A OG1 THR 107.A OG1 no hydrogen 2.800 N/A THR 153.A OG1 ASN 191.A OD1 no hydrogen 2.744 N/A ALA 154.A N ASN 191.A O no hydrogen 2.912 N/A SER 155.A N VAL 111.A O no hydrogen 3.063 N/A SER 155.A OG GLU 193.A OE1 no hydrogen 2.843 N/A SER 156.A N GLU 193.A O no hydrogen 2.914 N/A SER 156.A OG THR 158.A O no hydrogen 2.772 N/A ASP 157.A N LEU 113.A O no hydrogen 3.162 N/A THR 158.A N SER 156.A OG no hydrogen 3.174 N/A GLY 162.A N THR 158.A OG1 no hydrogen 2.827 N/A GLN 163.A N TYR 160.A O no hydrogen 3.216 N/A GLN 163.A NE2 THR 158.A O no hydrogen 3.237 N/A GLU 164.A N PRO 161.A O no hydrogen 3.019 N/A ARG 165.A N TYR 160.A O no hydrogen 3.087 N/A ARG 165.A NH1 PHE 159.A O no hydrogen 2.874 N/A ARG 165.A NH1 GLN 163.A OE1 no hydrogen 2.996 N/A TYR 166.A OH GLU 164.A OE2 no hydrogen 2.820 N/A GLY 171.A N THR 168.A OG1 no hydrogen 3.028 N/A ARG 172.A N SER 170.A OG no hydrogen 3.407 N/A PHE 177.A N VAL 174.A O no hydrogen 2.969 N/A LYS 178.A N VAL 174.A O no hydrogen 3.257 N/A LYS 178.A N ARG 175.A O no hydrogen 3.143 N/A GLY 179.A N GLU 164.A OE2 no hydrogen 3.090 N/A SER 180.A N PHE 177.A O no hydrogen 3.190 N/A SER 180.A OG PHE 177.A O no hydrogen 2.738 N/A MET 181.A N GLU 164.A OE1 no hydrogen 2.992 N/A GLU 183.A N GLY 179.A O no hydrogen 3.457 N/A TRP 184.A N SER 180.A O no hydrogen 3.076 N/A GLN 185.A N MET 181.A O no hydrogen 2.974 N/A GLN 185.A NE2 ILE 95.A O no hydrogen 2.986 N/A ALA 186.A N GLU 182.A O no hydrogen 3.059 N/A MET 187.A N GLU 183.A O no hydrogen 3.208 N/A MET 187.A N TRP 184.A O no hydrogen 3.101 N/A GLY 188.A N GLN 185.A O no hydrogen 3.138 N/A VAL 189.A N TRP 184.A O no hydrogen 3.137 N/A MET 190.A N VAL 152.A O no hydrogen 2.872 N/A ASN 191.A ND2 THR 92.A OG1 no hydrogen 2.838 N/A TYR 192.A N GLY 93.A O no hydrogen 3.316 N/A GLU 193.A N ALA 154.A O no hydrogen 3.119 N/A GLU 195.A N GLU 193.A OE2 no hydrogen 3.001 N/A SER 196.A N GLU 193.A OE1 no hydrogen 3.160 N/A SER 196.A N GLU 193.A OE2 no hydrogen 3.172 N/A SER 196.A OG SER 110.A OG no hydrogen 2.758 N/A SER 196.A OG GLU 193.A OE1 no hydrogen 2.677 N/A ALA 197.A N SER 155.A OG no hydrogen 2.995 N/A THR 198.A OG1 ASP 114.A OD1 no hydrogen 2.766 N/A LEU 199.A N GLU 195.A O no hydrogen 3.094 N/A LEU 200.A N SER 196.A O no hydrogen 2.826 N/A THR 201.A N ALA 197.A O no hydrogen 3.137 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.808 N/A MET 202.A N THR 198.A O no hydrogen 2.983 N/A CYS 203.A N LEU 199.A O no hydrogen 3.123 N/A CYS 203.A SG LEU 199.A O no hydrogen 3.461 N/A ALA 204.A N LEU 200.A O no hydrogen 2.981 N/A SER 205.A N THR 201.A O no hydrogen 3.166 N/A SER 205.A OG THR 201.A O no hydrogen 2.880 N/A GLN 206.A N CYS 203.A O no hydrogen 3.110 N/A GLN 206.A NE2.A MET 202.A O no hydrogen 2.925 N/A GLN 206.A NE2.B MET 202.A O no hydrogen 3.005 N/A LEU 208.A N CYS 203.A O no hydrogen 3.163 N/A ARG 209.A N ARG 84.A O no hydrogen 3.044 N/A ARG 209.A NE THR 85.A OG1 no hydrogen 3.158 N/A ARG 209.A NH1 GLU 132.A OE2 no hydrogen 2.980 N/A ARG 209.A NH2 THR 85.A OG1 no hydrogen 3.091 N/A ARG 209.A NH2 LEU 249.A O no hydrogen 3.281 N/A GLY 211.A N PHE 86.A O no hydrogen 3.109 N/A VAL 213.A N ARG 88.A O no hydrogen 3.108 N/A ALA 214.A N LEU 105.A O no hydrogen 2.968 N/A GLY 215.A N GLY 90.A O no hydrogen 3.153 N/A VAL 216.A N ASP 103.A O no hydrogen 2.973 N/A ILE 217.A N THR 92.A O no hydrogen 3.157 N/A ASN 219.A ND2 GLN 96.A O no hydrogen 2.928 N/A ASN 219.A ND2 ILE 99.A O no hydrogen 2.803 N/A ARG 220.A N ALA 94.A O no hydrogen 2.912 N/A ARG 220.A NH1 GLN 163.A O no hydrogen 2.836 N/A ARG 220.A NH2 GLN 163.A O no hydrogen 3.091 N/A ARG 220.A NH2 GLU 164.A O no hydrogen 3.326 N/A THR 221.A N ASN 219.A OD1 no hydrogen 2.838 N/A THR 221.A OG1 ASN 219.A OD1 no hydrogen 2.822 N/A GLN 222.A NE2 GLN 223.A O no hydrogen 3.185 N/A GLU 229.A N ASN 227.A OD1 no hydrogen 3.125 N/A MET 231.A N ASN 227.A O no hydrogen 3.132 N/A LYS 232.A N ALA 228.A O no hydrogen 3.114 N/A GLN 233.A N GLU 229.A O no hydrogen 3.074 N/A THR 234.A N THR 230.A O no hydrogen 3.070 N/A THR 234.A OG1 THR 230.A O no hydrogen 2.766 N/A GLU 235.A N MET 231.A O no hydrogen 3.150 N/A SER 236.A N LYS 232.A O no hydrogen 3.101 N/A HIS 237.A N GLN 233.A O no hydrogen 3.169 N/A ALA 238.A N THR 234.A O no hydrogen 3.188 N/A VAL 239.A N GLU 235.A O no hydrogen 3.128 N/A LYS 240.A N SER 236.A O no hydrogen 3.158 N/A LYS 240.A NZ GLU 244.A OE2 no hydrogen 2.605 N/A ILE 241.A N HIS 237.A O no hydrogen 3.017 N/A VAL 242.A N ALA 238.A O no hydrogen 3.048 N/A VAL 243.A N VAL 239.A O no hydrogen 3.156 N/A GLU 244.A N LYS 240.A O no hydrogen 2.957 N/A ALA 245.A N ILE 241.A O no hydrogen 2.927 N/A ALA 246.A N VAL 242.A O no hydrogen 3.054 N/A ARG 247.A N VAL 243.A O no hydrogen 3.149 N/A ARG 247.A NE.A ASP 55.A OD2 no hydrogen 3.250 N/A ARG 247.A NE.B GLU 244.A OE1 no hydrogen 3.302 N/A ARG 247.A NH1.A GLU 244.A OE2 no hydrogen 2.916 N/A ARG 247.A NH2.A ASP 55.A OD1 no hydrogen 2.966 N/A ARG 248.A N GLU 244.A O no hydrogen 3.401 N/A ARG 248.A N ALA 245.A O no hydrogen 3.027 N/A ARG 248.A NH1 GLU 139.A OE2.A no hydrogen 2.767 N/A LEU 249.A N ALA 246.A O no hydrogen 3.004 N/A