Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8rei_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLN 4.A OE1 no hydrogen 3.562 N/A GLN 4.A N SER 1.A OG no hydrogen 3.287 N/A GLN 4.A NE2 LEU 32.A O no hydrogen 2.929 N/A GLN 5.A N SER 1.A O no hydrogen 3.035 N/A LYS 6.A N ALA 2.A O no hydrogen 3.095 N/A LYS 6.A NZ GLU 259.A OE1 no hydrogen 2.704 N/A LEU 7.A N VAL 3.A O.A no hydrogen 2.950 N/A LEU 7.A N VAL 3.A O.B no hydrogen 2.902 N/A ALA 8.A N GLN 4.A O no hydrogen 2.937 N/A ALA 9.A N GLN 5.A O no hydrogen 3.016 N/A LEU 10.A N LYS 6.A O no hydrogen 2.906 N/A GLU 11.A N LEU 7.A O no hydrogen 2.909 N/A LYS 12.A N ALA 8.A O no hydrogen 2.917 N/A SER 13.A N ALA 9.A O no hydrogen 2.923 N/A SER 13.A OG LEU 10.A O no hydrogen 2.764 N/A SER 14.A N GLU 11.A O no hydrogen 3.012 N/A SER 14.A OG GLU 11.A O no hydrogen 2.696 N/A GLY 16.A N SER 14.A OG no hydrogen 3.084 N/A ARG 17.A N THR 237.A O no hydrogen 2.818 N/A ARG 17.A NH1 GLU 37.A OE1 no hydrogen 2.980 N/A ARG 17.A NH1 ARG 38.A O no hydrogen 3.042 N/A ARG 17.A NH2 ARG 38.A O no hydrogen 2.969 N/A LEU 18.A N GLU 11.A OE2 no hydrogen 2.782 N/A GLY 19.A N TYR 235.A O.A no hydrogen 2.748 N/A GLY 19.A N TYR 235.A O.B no hydrogen 2.771 N/A VAL 20.A N TYR 33.A O no hydrogen 2.857 N/A ALA 21.A N VAL 233.A O.A no hydrogen 2.943 N/A ALA 21.A N VAL 233.A O.B no hydrogen 3.019 N/A LEU 22.A N VAL 31.A O no hydrogen 2.798 N/A ILE 23.A N VAL 231.A O no hydrogen 2.881 N/A ASP 24.A N THR 29.A O no hydrogen 2.911 N/A THR 25.A N PRO 229.A O no hydrogen 3.193 N/A THR 25.A OG1 PRO 229.A O no hydrogen 2.663 N/A ALA 26.A N ASP 24.A OD1 no hydrogen 2.937 N/A THR 29.A N ASP 27.A OD1 no hydrogen 3.270 N/A THR 29.A OG1 ASP 27.A OD1 no hydrogen 2.770 N/A VAL 31.A N LEU 22.A O no hydrogen 2.944 N/A TYR 33.A N VAL 20.A O no hydrogen 2.894 N/A TYR 33.A OH GLU 11.A OE1 no hydrogen 2.671 N/A ARG 34.A NE GLU 11.A OE2 no hydrogen 2.741 N/A ARG 34.A NH1 GLU 37.A OE2 no hydrogen 2.912 N/A ARG 34.A NH2 GLU 11.A OE1 no hydrogen 3.023 N/A GLU 37.A N ARG 34.A O no hydrogen 3.254 N/A ARG 38.A NH1 THR 132.A O no hydrogen 2.954 N/A ARG 38.A NH1 THR 153.A OG1 no hydrogen 2.955 N/A ARG 38.A NH2 THR 132.A O no hydrogen 3.092 N/A PHE 39.A N THR 154.A O no hydrogen 2.927 N/A MET 41.A N ASP 152.A O no hydrogen 3.030 N/A SER 43.A OG SER 103.A OG no hydrogen 3.061 N/A THR 44.A N MET 41.A O no hydrogen 3.120 N/A THR 44.A OG1 MET 41.A O no hydrogen 2.719 N/A THR 44.A OG1 TYR 235.A OH.A no hydrogen 2.917 N/A THR 44.A OG1 TYR 235.A OH.B no hydrogen 3.342 N/A SER 45.A N CYS 42.A O no hydrogen 3.113 N/A SER 45.A OG CYS 42.A O no hydrogen 2.782 N/A LYS 46.A N.A SER 43.A O no hydrogen 3.032 N/A LYS 46.A N.B SER 43.A O no hydrogen 3.024 N/A LYS 46.A NZ.A SER 43.A OG no hydrogen 2.551 N/A LYS 46.A NZ.A SER 103.A O no hydrogen 2.932 N/A LYS 46.A NZ.A SER 103.A OG no hydrogen 3.183 N/A LYS 46.A NZ.A ASN 105.A OD1 no hydrogen 2.626 N/A LYS 46.A NZ.B SER 43.A OG no hydrogen 3.041 N/A LYS 46.A NZ.B ASN 105.A OD1 no hydrogen 3.038 N/A VAL 47.A N THR 44.A O no hydrogen 3.301 N/A MET 48.A N.A SER 45.A O no hydrogen 3.083 N/A MET 48.A N.B SER 45.A O no hydrogen 3.083 N/A ALA 49.A N SER 45.A O no hydrogen 3.395 N/A ALA 50.A N LYS 46.A O.A no hydrogen 3.010 N/A ALA 50.A N LYS 46.A O.B no hydrogen 2.955 N/A ALA 51.A N VAL 47.A O no hydrogen 2.927 N/A ALA 52.A N MET 48.A O.A no hydrogen 2.909 N/A ALA 52.A N MET 48.A O.B no hydrogen 2.892 N/A VAL 53.A N ALA 49.A O no hydrogen 3.177 N/A LEU 54.A N ALA 50.A O no hydrogen 2.945 N/A LYS 55.A N ALA 51.A O no hydrogen 2.890 N/A LYS 55.A NZ GLU 58.A OE1 no hydrogen 3.125 N/A LYS 55.A NZ GLU 58.A OE2 no hydrogen 3.209 N/A LYS 55.A NZ ALA 171.A O no hydrogen 2.870 N/A GLN 56.A N ALA 52.A O no hydrogen 3.107 N/A SER 57.A N VAL 53.A O no hydrogen 3.102 N/A SER 57.A OG LEU 54.A O no hydrogen 2.553 N/A GLU 58.A N LYS 55.A O no hydrogen 3.176 N/A THR 59.A N GLN 56.A O no hydrogen 3.248 N/A GLN 60.A N GLN 56.A O no hydrogen 3.054 N/A LYS 61.A NZ GLU 58.A O no hydrogen 3.210 N/A LEU 63.A N GLN 60.A O no hydrogen 2.876 N/A ASN 65.A N GLN 62.A O no hydrogen 2.990 N/A GLN 66.A N LEU 63.A O no hydrogen 3.017 N/A VAL 68.A N MET 90.A O no hydrogen 2.785 N/A ILE 70.A N GLY 88.A O no hydrogen 3.018 N/A LYS 71.A N ASP 74.A OD2 no hydrogen 2.802 N/A LYS 71.A NZ ASP 74.A OD2 no hydrogen 3.152 N/A ASP 74.A N LYS 71.A O no hydrogen 2.797 N/A LEU 75.A N PRO 72.A O no hydrogen 3.316 N/A VAL 76.A N ASN 79.A OD1 no hydrogen 2.969 N/A ASN 79.A ND2 VAL 76.A O no hydrogen 3.214 N/A ILE 81.A N ASP 104.A OD2 no hydrogen 2.872 N/A ALA 82.A N ASP 104.A OD2 no hydrogen 2.822 N/A GLU 83.A N ASN 79.A O no hydrogen 3.022 N/A LYS 84.A N ILE 81.A O no hydrogen 2.898 N/A HIS 85.A N ALA 82.A O no hydrogen 2.904 N/A ASN 87.A N ILE 70.A O no hydrogen 2.784 N/A GLY 88.A N HIS 85.A O no hydrogen 2.924 N/A MET 90.A N VAL 68.A O no hydrogen 2.963 N/A THR 91.A N GLU 94.A OE1 no hydrogen 2.976 N/A LEU 92.A N GLN 66.A O no hydrogen 3.141 N/A ALA 93.A N LEU 64.A O no hydrogen 2.941 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.084 N/A LEU 95.A N THR 91.A O no hydrogen 2.852 N/A SER 96.A N LEU 92.A O no hydrogen 2.873 N/A SER 96.A OG LEU 92.A O no hydrogen 2.791 N/A ALA 97.A N ALA 93.A O no hydrogen 2.960 N/A ALA 98.A N GLU 94.A O no hydrogen 2.912 N/A ALA 99.A N LEU 95.A O no hydrogen 2.909 N/A LEU 100.A N SER 96.A O no hydrogen 2.907 N/A GLN 101.A N ALA 97.A O no hydrogen 2.756 N/A GLN 101.A NE2 TRP 183.A O no hydrogen 3.000 N/A TYR 102.A N ALA 98.A O no hydrogen 3.085 N/A SER 103.A OG SER 43.A OG no hydrogen 3.061 N/A ASP 104.A N ALA 98.A O no hydrogen 3.231 N/A ASN 105.A N TYR 78.A O no hydrogen 2.929 N/A ASN 105.A ND2 ASN 77.A OD1 no hydrogen 2.854 N/A THR 106.A OG1 ASP 74.A O no hydrogen 3.376 N/A THR 106.A OG1 ASN 79.A OD1 no hydrogen 2.838 N/A ALA 107.A N ASP 104.A OD1 no hydrogen 2.900 N/A MET 108.A N ASP 104.A O no hydrogen 3.240 N/A ASN 109.A N ASN 105.A O no hydrogen 3.084 N/A ASN 109.A ND2 GLU 139.A O no hydrogen 3.007 N/A LYS 110.A N THR 106.A O no hydrogen 2.953 N/A LYS 110.A NZ GLU 69.A O.A no hydrogen 3.176 N/A LYS 110.A NZ GLU 69.A O.B no hydrogen 3.212 N/A LYS 110.A NZ ASP 74.A OD2 no hydrogen 2.844 N/A LEU 111.A N ALA 107.A O no hydrogen 3.006 N/A ILE 112.A N MET 108.A O no hydrogen 2.856 N/A ALA 113.A N ASN 109.A O no hydrogen 2.980 N/A GLN 114.A N LYS 110.A O no hydrogen 3.023 N/A GLN 114.A NE2 GLN 56.A OE1 no hydrogen 3.133 N/A LEU 115.A N LEU 111.A O no hydrogen 3.181 N/A LEU 115.A N ILE 112.A O no hydrogen 3.021 N/A GLY 116.A N ALA 113.A O no hydrogen 3.056 N/A GLY 117.A N ILE 112.A O no hydrogen 2.992 N/A GLY 120.A N GLY 117.A O no hydrogen 2.839 N/A THR 122.A N PRO 118.A O no hydrogen 3.033 N/A THR 122.A OG1 PRO 118.A O no hydrogen 3.329 N/A THR 122.A OG1 LEU 135.A O no hydrogen 3.101 N/A ALA 123.A N GLY 119.A O no hydrogen 2.957 N/A PHE 124.A N GLY 120.A O no hydrogen 3.440 N/A ALA 125.A N VAL 121.A O no hydrogen 3.288 N/A ARG 126.A N THR 122.A O no hydrogen 3.016 N/A ARG 126.A NH1 ASP 130.A O no hydrogen 2.782 N/A ARG 126.A NH1 PHE 133.A O no hydrogen 2.771 N/A ARG 126.A NH2 PHE 133.A O no hydrogen 3.016 N/A ALA 127.A N ALA 123.A O no hydrogen 2.919 N/A ILE 128.A N PHE 124.A O no hydrogen 3.119 N/A ILE 128.A N ALA 125.A O no hydrogen 3.223 N/A GLY 129.A N ARG 126.A O no hydrogen 3.039 N/A ASP 130.A N ALA 125.A O no hydrogen 2.864 N/A THR 132.A N ASP 130.A OD1 no hydrogen 2.862 N/A PHE 133.A N ASP 130.A OD1 no hydrogen 2.876 N/A ARG 134.A N THR 153.A O no hydrogen 3.166 N/A ARG 134.A NE ASP 136.A OD2 no hydrogen 2.884 N/A ARG 134.A NH2 ASP 136.A OD1 no hydrogen 2.973 N/A ARG 134.A NH2 ASP 136.A OD2 no hydrogen 3.413 N/A LEU 135.A N THR 122.A OG1 no hydrogen 2.967 N/A ASP 136.A N ASP 152.A OD1 no hydrogen 2.718 N/A ARG 137.A N ASP 152.A OD1 no hydrogen 3.066 N/A ARG 137.A NE ASP 152.A OD2 no hydrogen 2.691 N/A ARG 137.A NH1 THR 144.A OG1 no hydrogen 2.991 N/A ARG 137.A NH2 THR 144.A OG1 no hydrogen 3.158 N/A ARG 137.A NH2 ASP 152.A OD2 no hydrogen 2.875 N/A GLU 139.A N ASN 109.A OD1 no hydrogen 2.880 N/A THR 141.A OG1 THR 138.A O no hydrogen 3.547 N/A LEU 142.A N THR 138.A O no hydrogen 3.097 N/A ASN 143.A N PRO 140.A O no hydrogen 3.292 N/A ASN 143.A ND2 GLU 139.A OE1 no hydrogen 2.818 N/A ASN 143.A ND2 PRO 140.A O no hydrogen 3.016 N/A THR 144.A N THR 141.A O no hydrogen 3.352 N/A THR 144.A OG1 THR 141.A O no hydrogen 3.528 N/A ASP 149.A N ILE 146.A O no hydrogen 3.062 N/A ARG 151.A N ASP 149.A OD1 no hydrogen 3.028 N/A ARG 151.A NE ASP 149.A OD1 no hydrogen 3.151 N/A ARG 151.A NE ASP 149.A OD2 no hydrogen 3.018 N/A ARG 151.A NH2 ASP 149.A OD2 no hydrogen 2.812 N/A ASP 152.A N ASP 136.A OD2 no hydrogen 2.969 N/A THR 153.A OG1 PRO 150.A O no hydrogen 2.654 N/A THR 154.A N PHE 39.A O no hydrogen 3.198 N/A ARG 157.A N GLY 35.A O no hydrogen 2.968 N/A ARG 157.A NE ASP 36.A OD1 no hydrogen 2.794 N/A ARG 157.A NH2 ASP 36.A OD2 no hydrogen 3.126 N/A ALA 158.A N THR 155.A OG1 no hydrogen 3.129 N/A MET 159.A N THR 155.A O no hydrogen 3.027 N/A ALA 160.A N PRO 156.A O no hydrogen 2.943 N/A GLN 161.A N ARG 157.A O no hydrogen 3.153 N/A THR 162.A N ALA 158.A O no hydrogen 2.961 N/A THR 162.A OG1 ASP 130.A OD2 no hydrogen 2.698 N/A THR 162.A OG1 ALA 158.A O no hydrogen 3.278 N/A LEU 163.A N MET 159.A O no hydrogen 2.798 N/A ARG 164.A N ALA 160.A O no hydrogen 2.961 N/A ARG 164.A NH1 ASN 28.A OD1 no hydrogen 3.095 N/A ARG 164.A NH2 ASN 28.A OD1 no hydrogen 2.678 N/A GLN 165.A N.A GLN 161.A O no hydrogen 3.069 N/A GLN 165.A N.B GLN 161.A O no hydrogen 3.053 N/A GLN 165.A NE2.B ILE 128.A O no hydrogen 3.231 N/A LEU 166.A N THR 162.A O no hydrogen 2.993 N/A THR 167.A N LEU 163.A O no hydrogen 3.145 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.697 N/A LEU 168.A N ARG 164.A O no hydrogen 2.864 N/A GLY 169.A N ARG 164.A O no hydrogen 2.894 N/A ALA 171.A N GLN 165.A O.A no hydrogen 3.255 N/A GLY 173.A N GLU 58.A OE2 no hydrogen 2.775 N/A GLU 174.A N.A GLU 174.A OE1.A no hydrogen 2.655 N/A GLN 176.A NE2 SER 57.A OG no hydrogen 3.422 N/A ARG 177.A N GLY 173.A O no hydrogen 2.772 N/A ARG 177.A NH1 GLY 169.A O no hydrogen 3.270 N/A ALA 178.A N GLU 174.A O.A no hydrogen 3.083 N/A ALA 178.A N GLU 174.A O.B no hydrogen 3.124 N/A GLN 179.A N THR 175.A O no hydrogen 3.055 N/A GLN 179.A NE2 GLN 179.A O no hydrogen 3.031 N/A LEU 180.A N GLN 176.A O no hydrogen 2.994 N/A VAL 181.A N ARG 177.A O no hydrogen 2.949 N/A THR 182.A N ALA 178.A O no hydrogen 2.953 N/A THR 182.A OG1 ALA 178.A O no hydrogen 3.092 N/A TRP 183.A N GLN 179.A O no hydrogen 2.916 N/A LEU 184.A N LEU 180.A O no hydrogen 2.931 N/A LYS 185.A N VAL 181.A O no hydrogen 2.889 N/A GLY 186.A N THR 182.A O no hydrogen 3.191 N/A GLY 186.A N TRP 183.A O no hydrogen 3.070 N/A ASN 187.A N LEU 184.A O no hydrogen 3.147 N/A ASN 187.A ND2 THR 189.A OG1 no hydrogen 3.209 N/A ASN 187.A ND2 ASP 206.A OD1 no hydrogen 2.959 N/A THR 188.A N GLN 101.A O no hydrogen 3.089 N/A THR 188.A OG1 GLN 101.A O no hydrogen 2.775 N/A THR 189.A N ASN 187.A OD1 no hydrogen 3.295 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 3.217 N/A THR 189.A OG1 THR 208.A OG1 no hydrogen 2.695 N/A SER 193.A N GLY 190.A O no hydrogen 3.113 N/A ILE 194.A N ASP 218.A OD2 no hydrogen 2.957 N/A ARG 195.A NE ASP 206.A OD1 no hydrogen 2.907 N/A ARG 195.A NH2 ASP 206.A OD1 no hydrogen 3.049 N/A ALA 196.A N SER 193.A O no hydrogen 2.964 N/A GLY 197.A N ILE 194.A O no hydrogen 3.032 N/A LEU 198.A N ARG 195.A O no hydrogen 3.311 N/A TRP 202.A N PRO 199.A O no hydrogen 3.078 N/A THR 203.A N TRP 223.A O no hydrogen 3.127 N/A GLY 205.A N VAL 221.A O.A no hydrogen 2.933 N/A GLY 205.A N VAL 221.A O.B no hydrogen 2.934 N/A ASP 206.A N LEU 184.A O no hydrogen 3.309 N/A LYS 207.A N ILE 219.A O no hydrogen 2.839 N/A LYS 207.A NZ SER 103.A OG no hydrogen 2.816 N/A LYS 207.A NZ THR 208.A O no hydrogen 2.806 N/A THR 208.A OG1 THR 189.A OG1 no hydrogen 2.695 N/A GLY 209.A N ASN 217.A O no hydrogen 2.968 N/A GLY 211.A N THR 215.A O no hydrogen 3.055 N/A ASP 212.A N ASN 143.A O no hydrogen 3.118 N/A TYR 213.A N GLN 241.A O.A no hydrogen 3.161 N/A TYR 213.A N GLN 241.A O.B no hydrogen 2.801 N/A THR 215.A N ASP 212.A O no hydrogen 3.116 N/A THR 215.A OG1 ASP 212.A O no hydrogen 2.732 N/A THR 215.A OG1 THR 237.A OG1 no hydrogen 2.704 N/A THR 216.A N PHE 236.A O no hydrogen 2.857 N/A THR 216.A OG1 GLY 214.A O no hydrogen 2.930 N/A ASN 217.A N GLY 209.A O no hydrogen 2.740 N/A ASN 217.A ND2 PRO 40.A O no hydrogen 2.859 N/A ASN 217.A ND2 MET 41.A O no hydrogen 3.045 N/A ASP 218.A N THR 234.A O no hydrogen 2.907 N/A ILE 219.A N LYS 207.A O no hydrogen 2.959 N/A ALA 220.A N LEU 232.A O no hydrogen 2.794 N/A VAL 221.A N.A GLY 205.A O no hydrogen 2.850 N/A VAL 221.A N.B GLY 205.A O no hydrogen 2.860 N/A ILE 222.A N LEU 230.A O no hydrogen 2.759 N/A TRP 223.A N THR 203.A O no hydrogen 2.832 N/A GLN 225.A NE2 SER 201.A O no hydrogen 3.290 N/A ARG 227.A NH1 ASP 24.A OD1 no hydrogen 2.914 N/A ARG 227.A NH1 ALA 228.A O no hydrogen 3.113 N/A ARG 227.A NH2 ASP 24.A OD2 no hydrogen 2.565 N/A LEU 230.A N ILE 222.A O no hydrogen 2.765 N/A VAL 231.A N ILE 23.A O no hydrogen 2.968 N/A LEU 232.A N ALA 220.A O no hydrogen 2.875 N/A VAL 233.A N.A ALA 21.A O no hydrogen 2.866 N/A VAL 233.A N.B ALA 21.A O no hydrogen 2.882 N/A THR 234.A N ASP 218.A O no hydrogen 2.910 N/A THR 234.A OG1 ASP 218.A O no hydrogen 3.253 N/A TYR 235.A N.A GLY 19.A O no hydrogen 2.780 N/A TYR 235.A N.B GLY 19.A O no hydrogen 2.784 N/A TYR 235.A OH.A THR 44.A OG1 no hydrogen 2.917 N/A TYR 235.A OH.B THR 44.A OG1 no hydrogen 3.342 N/A PHE 236.A N ASN 217.A OD1 no hydrogen 3.271 N/A THR 237.A N ARG 17.A O no hydrogen 2.989 N/A THR 237.A OG1 TYR 213.A O no hydrogen 3.389 N/A THR 237.A OG1 THR 215.A OG1 no hydrogen 2.704 N/A GLN 238.A N TYR 213.A O no hydrogen 2.906 N/A GLN 238.A NE2 GLY 214.A O no hydrogen 3.000 N/A GLN 238.A NE2 GLU 244.A O no hydrogen 2.869 N/A ALA 243.A N GLN 240.A O.A no hydrogen 3.220 N/A ALA 243.A N GLN 240.A O.B no hydrogen 3.123 N/A ARG 246.A N THR 216.A OG1 no hydrogen 2.993 N/A ARG 246.A NE ASP 248.A OD1 no hydrogen 2.909 N/A ARG 246.A NE ASP 248.A OD2 no hydrogen 3.425 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 2.950 N/A VAL 249.A N ARG 246.A O no hydrogen 3.136 N/A ALA 251.A N ARG 247.A O.A no hydrogen 3.071 N/A ALA 251.A N ARG 247.A O.B no hydrogen 3.086 N/A SER 252.A N ASP 248.A O no hydrogen 2.901 N/A SER 252.A OG ASP 248.A O no hydrogen 3.203 N/A ALA 253.A N VAL 249.A O no hydrogen 2.920 N/A ALA 254.A N LEU 250.A O no hydrogen 2.979 N/A ARG 255.A N ALA 251.A O no hydrogen 3.004 N/A ILE 256.A N SER 252.A O no hydrogen 3.028 N/A ILE 257.A N ALA 253.A O no hydrogen 3.043 N/A ALA 258.A N ALA 254.A O no hydrogen 2.794 N/A GLU 259.A N ARG 255.A O no hydrogen 3.036 N/A GLY 260.A N ILE 257.A O no hydrogen 2.896 N/A