Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8r2i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N SER 1.A OG no hydrogen 2.504 N/A ALA 5.A N SER 2.A OG no hydrogen 3.347 N/A ARG 6.A N SER 2.A O no hydrogen 3.037 N/A PHE 7.A N LEU 3.A O no hydrogen 2.904 N/A CYS 8.A N TRP 4.A O no hydrogen 2.904 N/A GLU 9.A N ALA 5.A O no hydrogen 2.910 N/A TRP 10.A N ARG 6.A O no hydrogen 2.906 N/A ILE 11.A N PHE 7.A O no hydrogen 2.912 N/A THR 12.A N CYS 8.A O no hydrogen 2.929 N/A THR 12.A OG1 CYS 8.A O no hydrogen 2.923 N/A THR 12.A OG1 GLU 9.A O no hydrogen 3.372 N/A SER 13.A N TRP 10.A O no hydrogen 3.205 N/A GLU 15.A N SER 13.A OG no hydrogen 3.151 N/A ASN 16.A ND2 TRP 10.A O no hydrogen 3.440 N/A ARG 17.A NH1 ARG 17.A O no hydrogen 2.859 N/A TYR 19.A OH GLU 122.A OE2 no hydrogen 2.848 N/A GLY 21.A N ILE 11.A O no hydrogen 3.254 N/A TRP 22.A N GLU 122.A OE2 no hydrogen 3.195 N/A PHE 23.A N GLU 122.A OE1 no hydrogen 3.352 N/A VAL 25.A N GLY 21.A O no hydrogen 2.933 N/A VAL 25.A N TRP 22.A O no hydrogen 3.164 N/A ILE 26.A N PHE 23.A O no hydrogen 3.165 N/A MET 27.A N PHE 23.A O no hydrogen 2.919 N/A ILE 28.A N GLY 24.A O no hydrogen 2.892 N/A CYS 30.A SG ILE 26.A O no hydrogen 3.248 N/A LEU 31.A N MET 27.A O no hydrogen 2.856 N/A LEU 32.A N ILE 28.A O no hydrogen 2.889 N/A THR 33.A N PRO 29.A O no hydrogen 2.895 N/A THR 33.A OG1 PRO 29.A O no hydrogen 3.054 N/A ALA 34.A N CYS 30.A O no hydrogen 2.926 N/A THR 35.A N LEU 31.A O no hydrogen 2.866 N/A THR 35.A OG1 LEU 31.A O no hydrogen 3.016 N/A SER 36.A N LEU 32.A O no hydrogen 2.913 N/A SER 36.A OG LEU 32.A O no hydrogen 2.725 N/A VAL 37.A N THR 33.A O no hydrogen 2.944 N/A PHE 38.A N ALA 34.A O no hydrogen 2.869 N/A ILE 39.A N THR 35.A O no hydrogen 2.906 N/A ILE 40.A N SER 36.A O no hydrogen 2.957 N/A ALA 41.A N VAL 37.A O no hydrogen 2.877 N/A PHE 42.A N PHE 38.A O no hydrogen 2.873 N/A ILE 43.A N ILE 39.A O no hydrogen 2.928 N/A ALA 44.A N ILE 40.A O no hydrogen 2.966 N/A VAL 48.A N VAL 57.A O no hydrogen 3.047 N/A ASP 49.A N TYR 97.A O no hydrogen 3.385 N/A GLY 52.A N ASP 49.A O no hydrogen 3.152 N/A ARG 54.A NE TYR 97.A OH no hydrogen 3.022 N/A ARG 54.A NH2 TYR 97.A OH no hydrogen 3.391 N/A GLU 55.A N ILE 53.A O no hydrogen 2.785 N/A VAL 57.A N VAL 48.A O no hydrogen 2.865 N/A SER 60.A OG ALA 41.A O no hydrogen 2.868 N/A SER 60.A OG PHE 42.A O no hydrogen 2.917 N/A SER 60.A OG LEU 61.A O no hydrogen 3.065 N/A LEU 61.A N PHE 42.A O no hydrogen 2.874 N/A ASN 65.A ND2 SER 58.A O no hydrogen 3.252 N/A ASN 66.A N ASN 65.A OD1 no hydrogen 2.953 N/A THR 69.A N ASN 66.A OD1 no hydrogen 3.111 N/A THR 69.A OG1 ASN 66.A OD1 no hydrogen 3.185 N/A GLY 70.A N ASN 66.A O no hydrogen 2.724 N/A ALA 71.A N GLY 59.A O no hydrogen 2.585 N/A VAL 72.A N LEU 164.A O no hydrogen 3.206 N/A THR 75.A OG1 ASN 98.A O no hydrogen 2.593 N/A SER 76.A N ASN 98.A O no hydrogen 2.533 N/A SER 76.A OG ASP 49.A O no hydrogen 3.240 N/A SER 76.A OG ASP 49.A OD1 no hydrogen 3.497 N/A ASN 77.A N ILE 50.A O no hydrogen 2.947 N/A ALA 78.A N SER 76.A OG no hydrogen 3.135 N/A ILE 79.A N SER 76.A O no hydrogen 3.244 N/A HIS 82.A N ILE 79.A O no hydrogen 3.135 N/A GLU 88.A N PRO 85.A O no hydrogen 3.336 N/A ALA 89.A N ILE 86.A O no hydrogen 3.038 N/A SER 91.A OG ASP 93.A OD1 no hydrogen 2.566 N/A GLU 94.A N SER 91.A OG no hydrogen 3.309 N/A TRP 95.A N SER 91.A O no hydrogen 2.789 N/A LEU 96.A N LEU 92.A O no hydrogen 2.917 N/A TYR 97.A N ASP 93.A O no hydrogen 2.890 N/A ASN 98.A N GLU 94.A O no hydrogen 3.215 N/A GLY 99.A N LEU 96.A O no hydrogen 3.441 N/A GLY 100.A N TRP 95.A O no hydrogen 3.232 N/A TYR 102.A OH MET 162.A O no hydrogen 3.098 N/A GLN 103.A NE2 HIS 82.A O no hydrogen 3.236 N/A LEU 104.A N GLY 100.A O no hydrogen 2.978 N/A ILE 105.A N PRO 101.A O no hydrogen 2.876 N/A VAL 106.A N TYR 102.A O no hydrogen 2.905 N/A CYS 107.A N GLN 103.A O no hydrogen 2.964 N/A CYS 107.A SG GLN 103.A O no hydrogen 3.366 N/A HIS 108.A N LEU 104.A O no hydrogen 3.008 N/A PHE 109.A N ILE 105.A O no hydrogen 2.847 N/A LEU 110.A N VAL 106.A O no hydrogen 2.879 N/A LEU 111.A N CYS 107.A O no hydrogen 3.031 N/A GLY 112.A N HIS 108.A O no hydrogen 2.894 N/A VAL 113.A N PHE 109.A O no hydrogen 2.890 N/A TYR 114.A N LEU 110.A O no hydrogen 3.005 N/A TYR 114.A OH SER 145.A OG no hydrogen 2.444 N/A CYS 115.A N LEU 111.A O no hydrogen 2.957 N/A CYS 115.A SG LEU 111.A O no hydrogen 3.212 N/A TYR 116.A N GLY 112.A O no hydrogen 2.817 N/A MET 117.A N VAL 113.A O no hydrogen 2.966 N/A GLY 118.A N TYR 114.A O no hydrogen 2.995 N/A ARG 119.A N CYS 115.A O no hydrogen 2.832 N/A GLU 120.A N TYR 116.A O no hydrogen 2.886 N/A TRP 121.A N MET 117.A O no hydrogen 3.020 N/A GLU 122.A N GLY 118.A O no hydrogen 2.890 N/A LEU 123.A N ARG 119.A O no hydrogen 2.900 N/A SER 124.A N GLU 120.A O no hydrogen 2.961 N/A SER 124.A OG TRP 121.A O no hydrogen 2.802 N/A PHE 125.A N TRP 121.A O no hydrogen 2.901 N/A ARG 126.A N GLU 122.A O no hydrogen 2.910 N/A ARG 126.A NH1 THR 12.A O no hydrogen 2.704 N/A ARG 126.A NH2 THR 12.A O no hydrogen 2.694 N/A LEU 127.A N LEU 123.A O no hydrogen 2.915 N/A GLY 128.A N PHE 125.A O no hydrogen 3.159 N/A ALA 136.A N TRP 132.A O no hydrogen 3.236 N/A TYR 137.A N ILE 133.A O no hydrogen 2.909 N/A SER 138.A OG VAL 135.A O no hydrogen 2.567 N/A ALA 139.A N ALA 136.A O no hydrogen 3.402 N/A VAL 141.A N TYR 137.A O no hydrogen 3.488 N/A ALA 142.A N SER 138.A O no hydrogen 3.038 N/A ALA 143.A N ALA 139.A O no hydrogen 2.925 N/A ALA 144.A N PRO 140.A O no hydrogen 2.905 N/A SER 145.A N VAL 141.A O no hydrogen 2.874 N/A SER 145.A OG TYR 114.A OH no hydrogen 2.444 N/A SER 145.A OG VAL 141.A O no hydrogen 2.870 N/A ALA 146.A N ALA 142.A O no hydrogen 2.898 N/A VAL 147.A N ALA 143.A O no hydrogen 2.915 N/A PHE 148.A N ALA 144.A O no hydrogen 2.850 N/A LEU 149.A N SER 145.A O no hydrogen 2.840 N/A TYR 151.A N LEU 149.A O no hydrogen 2.384 N/A TYR 151.A OH HIS 180.A NE2 no hydrogen 3.303 N/A GLY 154.A N VAL 150.A O no hydrogen 2.650 N/A GLN 155.A N TYR 151.A O no hydrogen 2.898 N/A GLN 155.A NE2 ALA 263.A O no hydrogen 2.777 N/A GLY 156.A N PRO 152.A O no hydrogen 2.823 N/A SER 157.A OG ASN 77.A OD1 no hydrogen 3.326 N/A SER 157.A OG SER 159.A OG no hydrogen 3.124 N/A PHE 158.A N GLY 80.A O no hydrogen 3.308 N/A SER 159.A N SER 157.A OG no hydrogen 3.145 N/A SER 159.A OG SER 157.A OG no hydrogen 3.124 N/A ASP 160.A N SER 157.A O no hydrogen 3.425 N/A GLY 161.A N PHE 158.A O no hydrogen 3.095 N/A LEU 164.A N VAL 72.A O no hydrogen 3.366 N/A GLY 165.A N PRO 163.A O no hydrogen 2.880 N/A SER 167.A N ILE 68.A O no hydrogen 3.279 N/A THR 169.A N GLY 165.A O no hydrogen 3.220 N/A THR 169.A OG1 GLY 165.A O no hydrogen 2.431 N/A PHE 170.A N ILE 166.A O no hydrogen 2.974 N/A ASN 171.A N SER 167.A O no hydrogen 2.895 N/A PHE 172.A N GLY 168.A O no hydrogen 2.892 N/A MET 173.A N THR 169.A O no hydrogen 2.931 N/A ILE 174.A N PHE 170.A O no hydrogen 2.934 N/A VAL 175.A N ASN 171.A O no hydrogen 2.928 N/A PHE 176.A N PHE 172.A O no hydrogen 2.885 N/A GLN 177.A N MET 173.A O no hydrogen 2.935 N/A GLN 177.A NE2 ASN 181.A OD1 no hydrogen 3.048 N/A GLN 177.A NE2 ASN 294.A OD1 no hydrogen 2.697 N/A ALA 178.A N ILE 174.A O no hydrogen 2.908 N/A GLU 179.A N VAL 175.A O no hydrogen 2.927 N/A HIS 180.A N PHE 176.A O no hydrogen 2.899 N/A HIS 180.A ND1 ASN 267.A OD1 no hydrogen 2.667 N/A ASN 181.A N GLN 177.A O no hydrogen 2.923 N/A LEU 183.A N GLN 177.A OE1 no hydrogen 3.267 N/A HIS 185.A N ILE 182.A O no hydrogen 3.067 N/A PHE 187.A N HIS 185.A ND1 no hydrogen 3.323 N/A MET 189.A N HIS 185.A O no hydrogen 3.295 N/A LEU 190.A N PRO 186.A O no hydrogen 2.897 N/A GLY 191.A N PHE 187.A O no hydrogen 2.887 N/A VAL 192.A N HIS 188.A O no hydrogen 2.882 N/A ALA 193.A N MET 189.A O no hydrogen 2.919 N/A GLY 194.A N LEU 190.A O no hydrogen 2.831 N/A VAL 195.A N GLY 191.A O no hydrogen 2.941 N/A PHE 196.A N VAL 192.A O no hydrogen 2.922 N/A GLY 197.A N ALA 193.A O no hydrogen 2.860 N/A GLY 198.A N GLY 194.A O no hydrogen 2.841 N/A SER 199.A N VAL 195.A O no hydrogen 2.942 N/A SER 199.A OG VAL 195.A O no hydrogen 2.918 N/A LEU 200.A N PHE 196.A O no hydrogen 2.920 N/A PHE 201.A N GLY 197.A O no hydrogen 2.821 N/A SER 202.A N GLY 198.A O no hydrogen 2.881 N/A ALA 203.A N SER 199.A O no hydrogen 2.933 N/A MET 204.A N LEU 200.A O no hydrogen 2.942 N/A HIS 205.A N PHE 201.A O no hydrogen 2.853 N/A GLY 206.A N SER 202.A O no hydrogen 2.922 N/A SER 207.A N ALA 203.A O no hydrogen 2.931 N/A SER 207.A OG ALA 203.A O no hydrogen 3.147 N/A SER 207.A OG MET 204.A O no hydrogen 2.690 N/A LEU 208.A N MET 204.A O no hydrogen 2.876 N/A VAL 209.A N HIS 205.A O no hydrogen 2.934 N/A THR 210.A N GLY 206.A O no hydrogen 2.899 N/A THR 210.A OG1 GLY 206.A O no hydrogen 2.702 N/A SER 211.A N SER 207.A O no hydrogen 2.913 N/A SER 211.A OG SER 207.A O no hydrogen 2.924 N/A SER 211.A OG LEU 208.A O no hydrogen 2.754 N/A SER 212.A N LEU 208.A O no hydrogen 2.900 N/A SER 212.A OG LEU 208.A O no hydrogen 2.788 N/A LEU 213.A N VAL 209.A O no hydrogen 2.728 N/A ALA 220.A N ASN 216.A O no hydrogen 2.944 N/A HIS 221.A N ILE 217.A O no hydrogen 2.904 N/A HIS 221.A NE2 TYR 231.A O no hydrogen 2.953 N/A GLY 222.A N VAL 218.A O no hydrogen 2.901 N/A TYR 223.A N ALA 219.A O no hydrogen 2.897 N/A PHE 224.A N ALA 220.A O no hydrogen 2.894 N/A GLY 225.A N HIS 221.A O no hydrogen 2.895 N/A ARG 226.A N GLY 222.A O no hydrogen 2.910 N/A LEU 227.A N TYR 223.A O no hydrogen 2.904 N/A ILE 228.A N PHE 224.A O no hydrogen 3.073 N/A GLN 230.A N ILE 228.A O no hydrogen 2.548 N/A LEU 240.A N ASN 236.A O no hydrogen 3.452 N/A HIS 241.A N SER 237.A O no hydrogen 2.897 N/A HIS 241.A ND1 SER 237.A O no hydrogen 2.845 N/A PHE 242.A N ARG 238.A O no hydrogen 2.943 N/A PHE 243.A N SER 239.A O no hydrogen 2.913 N/A LEU 244.A N LEU 240.A O no hydrogen 2.878 N/A ALA 245.A N HIS 241.A O no hydrogen 2.946 N/A ALA 246.A N PHE 242.A O no hydrogen 2.861 N/A TRP 247.A N PHE 243.A O no hydrogen 2.996 N/A TRP 247.A NE1 ALA 193.A O no hydrogen 3.048 N/A ILE 250.A N ALA 246.A O no hydrogen 2.871 N/A GLY 251.A N TRP 247.A O no hydrogen 2.985 N/A ILE 252.A N PRO 248.A O no hydrogen 2.909 N/A TRP 253.A N VAL 249.A O no hydrogen 2.911 N/A TRP 253.A NE1 SER 138.A OG no hydrogen 3.063 N/A PHE 254.A N ILE 250.A O no hydrogen 2.931 N/A THR 255.A N GLY 251.A O no hydrogen 2.938 N/A ALA 256.A N ILE 252.A O no hydrogen 2.920 N/A LEU 257.A N TRP 253.A O no hydrogen 2.953 N/A GLY 258.A N PHE 254.A O no hydrogen 2.880 N/A LEU 259.A N THR 255.A O no hydrogen 2.935 N/A SER 260.A N ALA 256.A O no hydrogen 2.959 N/A SER 260.A OG ALA 256.A O no hydrogen 3.051 N/A THR 261.A N LEU 257.A O no hydrogen 2.912 N/A THR 261.A OG1 LEU 257.A O no hydrogen 3.463 N/A THR 261.A OG1 GLY 258.A O no hydrogen 2.285 N/A MET 262.A N GLY 258.A O no hydrogen 2.936 N/A ALA 263.A N LEU 259.A O no hydrogen 2.847 N/A PHE 264.A N SER 260.A O no hydrogen 2.968 N/A ASN 265.A N MET 262.A O no hydrogen 2.915 N/A LEU 266.A N THR 261.A O no hydrogen 2.644 N/A GLY 268.A N HIS 180.A O no hydrogen 3.506 N/A SER 274.A N PHE 271.A O no hydrogen 3.324 N/A ASP 277.A N ARG 281.A O no hydrogen 3.199 N/A GLY 280.A N ASP 277.A O no hydrogen 3.212 N/A LEU 283.A N VAL 275.A O no hydrogen 2.859 N/A THR 285.A N ASP 288.A OD2 no hydrogen 3.185 N/A ASP 288.A N THR 285.A O no hydrogen 3.025 N/A ILE 289.A N THR 285.A O no hydrogen 3.335 N/A ILE 290.A N TRP 286.A O no hydrogen 2.959 N/A ASN 291.A N ALA 287.A O no hydrogen 2.859 N/A ARG 292.A N ASP 288.A O no hydrogen 2.894 N/A ALA 293.A N ILE 289.A O no hydrogen 2.972 N/A ASN 294.A N ILE 290.A O no hydrogen 2.899 N/A LEU 295.A N ASN 291.A O no hydrogen 2.841 N/A GLY 296.A N ARG 292.A O no hydrogen 2.964 N/A MET 297.A N ALA 293.A O no hydrogen 2.959 N/A GLU 298.A N ASN 294.A O no hydrogen 2.866 N/A VAL 299.A N LEU 295.A O no hydrogen 2.911 N/A MET 300.A N GLY 296.A O no hydrogen 2.996 N/A HIS 301.A N MET 297.A O no hydrogen 2.896 N/A HIS 301.A N GLU 298.A O no hydrogen 3.167 N/A GLU 302.A N GLU 298.A O no hydrogen 3.187 N/A ARG 303.A NH2 MET 300.A O no hydrogen 3.499 N/A