Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a8e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N LEU 1.A O no hydrogen 3.216 N/A GLU 6.A N SER 2.A O no hydrogen 2.878 N/A ALA 7.A N GLN 3.A O no hydrogen 2.817 N/A GLY 8.A N GLN 4.A O no hydrogen 2.842 N/A MET 9.A N TRP 5.A O no hydrogen 2.816 N/A SER 10.A N GLU 6.A O no hydrogen 2.924 N/A SER 10.A OG GLU 6.A O no hydrogen 2.763 N/A LEU 11.A N ALA 7.A O no hydrogen 3.358 N/A LEU 12.A N GLY 8.A O no hydrogen 3.247 N/A MET 13.A N MET 9.A O no hydrogen 2.845 N/A ALA 14.A N SER 10.A O no hydrogen 3.087 N/A LEU 15.A N LEU 11.A O no hydrogen 3.094 N/A VAL 16.A N LEU 12.A O no hydrogen 3.087 N/A VAL 17.A N MET 13.A O no hydrogen 2.880 N/A LEU 18.A N ALA 14.A O no hydrogen 2.884 N/A LEU 19.A N LEU 15.A O no hydrogen 2.896 N/A ILE 20.A N VAL 16.A O no hydrogen 2.912 N/A VAL 21.A N VAL 17.A O no hydrogen 2.805 N/A ALA 22.A N LEU 18.A O no hydrogen 2.830 N/A GLY 23.A N LEU 19.A O no hydrogen 2.910 N/A ASN 24.A N ILE 20.A O no hydrogen 3.087 N/A ASN 24.A ND2 ILE 20.A O no hydrogen 2.943 N/A ASN 24.A ND2 SER 267.A O no hydrogen 2.888 N/A VAL 25.A N VAL 21.A O no hydrogen 2.985 N/A LEU 26.A N ALA 22.A O no hydrogen 3.010 N/A VAL 27.A N GLY 23.A O no hydrogen 3.196 N/A ILE 28.A N ASN 24.A O no hydrogen 3.295 N/A ALA 29.A N VAL 25.A O no hydrogen 2.683 N/A ALA 30.A N LEU 26.A O no hydrogen 2.568 N/A ILE 31.A N VAL 27.A O no hydrogen 3.046 N/A GLY 32.A N ILE 28.A O no hydrogen 3.012 N/A SER 33.A N ALA 29.A O no hydrogen 3.142 N/A SER 33.A OG ALA 29.A O no hydrogen 2.825 N/A THR 34.A OG1 ALA 30.A O no hydrogen 2.698 N/A GLN 38.A N GLN 35.A O no hydrogen 3.132 N/A GLN 38.A NE2 ILE 31.A O no hydrogen 2.753 N/A ASN 42.A ND2 LEU 37.A O no hydrogen 3.100 N/A LEU 43.A N THR 39.A O no hydrogen 3.385 N/A PHE 44.A N LEU 40.A O no hydrogen 3.295 N/A ILE 45.A N THR 41.A O no hydrogen 2.811 N/A THR 46.A N ASN 42.A O no hydrogen 2.946 N/A THR 46.A OG1 ASN 42.A O no hydrogen 2.876 N/A SER 47.A N PHE 44.A O no hydrogen 3.201 N/A SER 47.A OG THR 96.A OG1 no hydrogen 3.018 N/A LEU 48.A N PHE 44.A O no hydrogen 3.452 N/A ALA 49.A N ILE 45.A O no hydrogen 2.913 N/A CYS 50.A N THR 46.A O no hydrogen 2.823 N/A CYS 50.A SG THR 46.A O no hydrogen 3.270 N/A ALA 51.A N SER 47.A O no hydrogen 2.990 N/A ASP 52.A N LEU 48.A O no hydrogen 2.817 N/A LEU 53.A N ALA 49.A O no hydrogen 2.927 N/A VAL 54.A N CYS 50.A O no hydrogen 2.962 N/A VAL 55.A N ALA 51.A O no hydrogen 3.156 N/A GLY 56.A N ASP 52.A O no hydrogen 3.018 N/A LEU 57.A N LEU 53.A O no hydrogen 3.013 N/A LEU 58.A N VAL 54.A O no hydrogen 2.898 N/A VAL 59.A N VAL 54.A O no hydrogen 3.355 N/A VAL 60.A N VAL 55.A O no hydrogen 2.735 N/A GLY 63.A N VAL 59.A O no hydrogen 2.994 N/A ALA 64.A N VAL 60.A O no hydrogen 2.723 N/A THR 65.A N PRO 61.A O no hydrogen 3.403 N/A THR 65.A OG1 PHE 62.A O no hydrogen 2.686 N/A LEU 66.A N PHE 62.A O no hydrogen 3.355 N/A VAL 67.A N GLY 63.A O no hydrogen 2.980 N/A VAL 68.A N ALA 64.A O no hydrogen 2.882 N/A ARG 69.A N THR 65.A O no hydrogen 3.093 N/A GLY 70.A N LEU 66.A O no hydrogen 2.928 N/A THR 71.A OG1 GLY 162.A O no hydrogen 2.985 N/A TRP 72.A N GLY 162.A O no hydrogen 2.865 N/A TRP 72.A NE1 GLY 75.A O no hydrogen 2.733 N/A TRP 74.A NE1 THR 65.A OG1 no hydrogen 3.173 N/A CYS 79.A N GLY 75.A O no hydrogen 3.201 N/A GLU 80.A N SER 76.A O no hydrogen 3.262 N/A LEU 81.A N PHE 77.A O no hydrogen 2.945 N/A TRP 82.A N LEU 78.A O no hydrogen 2.852 N/A TRP 82.A NE1 VAL 59.A O no hydrogen 2.908 N/A THR 83.A N CYS 79.A O no hydrogen 3.012 N/A THR 83.A OG1 CYS 79.A O no hydrogen 2.718 N/A SER 84.A N GLU 80.A O no hydrogen 3.025 N/A SER 84.A OG GLU 80.A O no hydrogen 2.903 N/A LEU 85.A N LEU 81.A O no hydrogen 2.997 N/A ASP 86.A N TRP 82.A O no hydrogen 2.999 N/A VAL 87.A N THR 83.A O no hydrogen 3.003 N/A LEU 88.A N SER 84.A O no hydrogen 2.934 N/A CYS 89.A N LEU 85.A O no hydrogen 3.008 N/A CYS 89.A SG ALA 51.A O no hydrogen 3.602 N/A CYS 89.A SG LEU 85.A O no hydrogen 3.193 N/A VAL 90.A N ASP 86.A O no hydrogen 3.320 N/A THR 91.A N VAL 87.A O no hydrogen 3.074 N/A THR 91.A OG1 VAL 87.A O no hydrogen 2.705 N/A THR 91.A OG1 SER 180.A OG no hydrogen 3.270 N/A ALA 92.A N LEU 88.A O no hydrogen 2.758 N/A SER 93.A N CYS 89.A O no hydrogen 3.079 N/A SER 93.A OG CYS 89.A O no hydrogen 2.784 N/A VAL 94.A N VAL 90.A O no hydrogen 3.107 N/A TRP 95.A N THR 91.A O no hydrogen 3.089 N/A TRP 95.A NE1 ILE 179.A O no hydrogen 3.170 N/A THR 96.A N ALA 92.A O no hydrogen 3.019 N/A THR 96.A OG1 SER 47.A OG no hydrogen 3.018 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.632 N/A LEU 97.A N SER 93.A O no hydrogen 2.950 N/A CYS 98.A N VAL 94.A O no hydrogen 3.032 N/A CYS 98.A SG PRO 184.A O no hydrogen 4.029 N/A VAL 99.A N TRP 95.A O no hydrogen 2.897 N/A ILE 100.A N THR 96.A O no hydrogen 2.920 N/A ALA 101.A N LEU 97.A O no hydrogen 3.013 N/A ILE 102.A N CYS 98.A O no hydrogen 3.211 N/A ASP 103.A N VAL 99.A O no hydrogen 2.807 N/A ARG 104.A N ILE 100.A O no hydrogen 3.041 N/A ARG 104.A NE ASP 103.A OD2 no hydrogen 2.814 N/A ARG 104.A NH2 ASP 103.A OD2 no hydrogen 2.609 N/A TYR 105.A N ALA 101.A O no hydrogen 3.034 N/A LEU 106.A N ILE 102.A O no hydrogen 3.075 N/A ALA 107.A N ASP 103.A O no hydrogen 2.821 N/A ILE 108.A N ARG 104.A O no hydrogen 2.934 N/A THR 109.A N TYR 105.A O no hydrogen 3.063 N/A THR 109.A OG1 TYR 105.A O no hydrogen 2.652 N/A THR 109.A OG1 LEU 106.A O no hydrogen 3.564 N/A SER 110.A N LEU 106.A O no hydrogen 2.885 N/A TYR 114.A N SER 110.A O no hydrogen 2.880 N/A TYR 114.A OH ASP 103.A OD1 no hydrogen 2.610 N/A TYR 114.A OH ASP 103.A OD2 no hydrogen 3.143 N/A GLN 115.A N PRO 111.A O no hydrogen 3.205 N/A SER 116.A N PHE 112.A O no hydrogen 3.404 N/A SER 116.A OG ARG 113.A O no hydrogen 3.130 N/A LEU 117.A N ARG 113.A O no hydrogen 2.946 N/A MET 118.A N TYR 114.A O no hydrogen 2.829 N/A ARG 120.A NH1 GLN 38.A O no hydrogen 3.099 N/A ARG 120.A NH2 GLN 38.A O no hydrogen 2.639 N/A ARG 122.A N THR 119.A OG1 no hydrogen 3.364 N/A ALA 123.A N THR 119.A O no hydrogen 3.105 N/A LYS 124.A N ARG 120.A O no hydrogen 3.400 N/A VAL 125.A N ALA 121.A O no hydrogen 3.157 N/A ILE 126.A N ARG 122.A O no hydrogen 3.185 N/A ILE 127.A N ALA 123.A O no hydrogen 2.975 N/A CYS 128.A N LYS 124.A O no hydrogen 2.884 N/A CYS 128.A SG.B LYS 124.A O no hydrogen 3.475 N/A THR 129.A N VAL 125.A O no hydrogen 2.950 N/A THR 129.A OG1 VAL 125.A O no hydrogen 2.893 N/A VAL 130.A N ILE 126.A O no hydrogen 2.950 N/A TRP 131.A N ILE 127.A O no hydrogen 3.009 N/A TRP 131.A NE1 SER 47.A OG no hydrogen 2.960 N/A ALA 132.A N CYS 128.A O no hydrogen 2.769 N/A ILE 133.A N THR 129.A O no hydrogen 2.832 N/A SER 134.A N VAL 130.A O no hydrogen 2.774 N/A SER 134.A OG VAL 130.A O no hydrogen 2.820 N/A ALA 135.A N TRP 131.A O no hydrogen 2.932 N/A LEU 136.A N ALA 132.A O no hydrogen 3.038 N/A VAL 137.A N ILE 133.A O no hydrogen 2.912 N/A SER 138.A N SER 134.A O no hydrogen 2.854 N/A SER 138.A OG SER 134.A O no hydrogen 2.617 N/A PHE 139.A N ALA 135.A O no hydrogen 2.752 N/A LEU 140.A N LEU 136.A O no hydrogen 3.073 N/A MET 143.A N PHE 139.A O no hydrogen 2.883 N/A MET 144.A N LEU 140.A O no hydrogen 2.916 N/A HIS 145.A N ILE 142.A O no hydrogen 3.346 N/A HIS 145.A NE2 GLU 80.A OE2 no hydrogen 2.960 N/A TRP 146.A N PRO 141.A O no hydrogen 3.136 N/A TRP 147.A NE1 ILE 142.A O no hydrogen 3.212 N/A ARG 148.A N HIS 145.A O no hydrogen 3.345 N/A ASP 149.A N TYR 158.A OH no hydrogen 2.965 N/A ASP 151.A N ASP 149.A OD2 no hydrogen 3.376 N/A GLN 153.A N ASP 151.A OD2 no hydrogen 2.966 N/A LEU 155.A N ASP 151.A O no hydrogen 2.796 N/A LYS 156.A N PRO 152.A O no hydrogen 2.854 N/A CYS 157.A N GLN 153.A O no hydrogen 3.092 N/A CYS 157.A SG ASP 165.A O no hydrogen 3.820 N/A TYR 158.A N ALA 154.A O no hydrogen 3.020 N/A TYR 158.A OH VAL 167.A O no hydrogen 2.632 N/A GLN 159.A N LEU 155.A O no hydrogen 2.912 N/A ASP 160.A N LYS 156.A O no hydrogen 3.038 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 2.929 N/A CYS 163.A N ASP 160.A O no hydrogen 3.173 N/A CYS 164.A SG CYS 79.A O no hydrogen 3.726 N/A VAL 167.A N ASP 165.A O no hydrogen 2.805 N/A ASN 169.A N TRP 147.A O no hydrogen 2.934 N/A ASN 169.A ND2 TRP 146.A O no hydrogen 2.887 N/A ASN 169.A ND2 ARG 148.A O no hydrogen 2.744 N/A ARG 170.A NE VAL 245.A O no hydrogen 3.264 N/A TYR 172.A N ASN 169.A OD1 no hydrogen 2.732 N/A ALA 173.A N ASN 169.A O no hydrogen 3.077 N/A ILE 174.A N ARG 170.A O no hydrogen 2.980 N/A ALA 175.A N ALA 171.A O no hydrogen 3.070 N/A SER 176.A N TYR 172.A O no hydrogen 2.766 N/A SER 176.A OG TYR 172.A O no hydrogen 2.728 N/A SER 176.A OG ALA 173.A O no hydrogen 3.347 N/A SER 177.A N ALA 173.A O no hydrogen 3.178 N/A SER 177.A OG ALA 173.A O no hydrogen 2.731 N/A ILE 178.A N ILE 174.A O no hydrogen 3.024 N/A ILE 179.A N ALA 175.A O no hydrogen 3.133 N/A SER 180.A N SER 176.A O no hydrogen 2.828 N/A SER 180.A OG THR 91.A OG1 no hydrogen 3.270 N/A PHE 181.A N SER 177.A O no hydrogen 3.076 N/A TYR 182.A N SER 177.A O no hydrogen 2.896 N/A ILE 183.A N ILE 178.A O no hydrogen 3.024 N/A LEU 185.A N PHE 181.A O no hydrogen 2.762 N/A LEU 186.A N TYR 182.A O no hydrogen 2.968 N/A ILE 187.A N ILE 183.A O no hydrogen 3.035 N/A MET 188.A N PRO 184.A O no hydrogen 2.863 N/A ILE 189.A N LEU 185.A O no hydrogen 2.986 N/A PHE 190.A N LEU 186.A O no hydrogen 2.986 N/A VAL 191.A N ILE 187.A O no hydrogen 2.961 N/A ALA 192.A N MET 188.A O no hydrogen 2.863 N/A LEU 193.A N ILE 189.A O no hydrogen 2.993 N/A ARG 194.A N PHE 190.A O no hydrogen 3.300 N/A VAL 195.A N VAL 191.A O no hydrogen 2.954 N/A TYR 196.A N ALA 192.A O no hydrogen 2.852 N/A ARG 197.A N LEU 193.A O no hydrogen 2.914 N/A GLU 198.A N ARG 194.A O no hydrogen 2.838 N/A ALA 199.A N VAL 195.A O no hydrogen 2.798 N/A LYS 200.A N TYR 196.A O no hydrogen 2.926 N/A GLU 201.A N ARG 197.A O no hydrogen 3.044 N/A GLN 202.A N GLU 198.A O no hydrogen 3.048 N/A GLN 202.A NE2 ILE 108.A O no hydrogen 3.130 N/A GLN 202.A NE2 GLU 198.A OE2 no hydrogen 3.039 N/A ILE 203.A N ALA 199.A O no hydrogen 3.285 N/A LYS 205.A N GLU 201.A O no hydrogen 3.087 N/A LYS 205.A NZ THR 208.A O no hydrogen 3.028 N/A ARG 206.A NE THR 208.A OG1 no hydrogen 3.270 N/A ARG 206.A NH1 GLN 202.A OE1 no hydrogen 3.227 N/A ARG 206.A NH1 GLU 216.A OE1 no hydrogen 3.011 N/A ARG 206.A NH2 THR 208.A OG1 no hydrogen 3.021 N/A ARG 206.A NH2 GLU 216.A OE1 no hydrogen 3.428 N/A ARG 206.A NH2 GLU 216.A OE2 no hydrogen 2.826 N/A ARG 210.A NH1 ILE 203.A O no hydrogen 2.508 N/A VAL 211.A N SER 209.A OG no hydrogen 3.260 N/A LEU 213.A N SER 209.A O no hydrogen 3.105 N/A MET 214.A N ARG 210.A O no hydrogen 3.130 N/A ARG 215.A N VAL 211.A O no hydrogen 3.195 N/A GLU 216.A N MET 212.A O no hydrogen 3.042 N/A HIS 217.A N LEU 213.A O no hydrogen 2.944 N/A LYS 218.A N MET 214.A O no hydrogen 2.983 N/A LEU 220.A N GLU 216.A O no hydrogen 3.152 N/A LYS 221.A N HIS 217.A O no hydrogen 2.976 N/A THR 222.A N LYS 218.A O no hydrogen 3.189 N/A THR 222.A OG1 LYS 218.A O no hydrogen 3.353 N/A THR 222.A OG1 SER 277.A OG no hydrogen 2.760 N/A LEU 223.A N ALA 219.A O no hydrogen 3.456 N/A GLY 224.A N LEU 220.A O no hydrogen 3.117 N/A ILE 225.A N LYS 221.A O no hydrogen 3.010 N/A ILE 226.A N THR 222.A O no hydrogen 3.048 N/A MET 227.A N LEU 223.A O no hydrogen 2.814 N/A GLY 228.A N GLY 224.A O no hydrogen 2.765 N/A VAL 229.A N ILE 225.A O no hydrogen 2.851 N/A PHE 230.A N ILE 226.A O no hydrogen 3.016 N/A THR 231.A N MET 227.A O no hydrogen 3.220 N/A THR 231.A OG1 MET 227.A O no hydrogen 3.076 N/A LEU 232.A N GLY 228.A O no hydrogen 3.112 N/A CYS 233.A N VAL 229.A O no hydrogen 2.897 N/A CYS 233.A SG VAL 229.A O no hydrogen 3.282 N/A TRP 234.A N PHE 230.A O no hydrogen 2.983 N/A LEU 235.A N THR 231.A O no hydrogen 2.923 N/A PHE 238.A N TRP 234.A O no hydrogen 3.152 N/A LEU 239.A N LEU 235.A O no hydrogen 3.025 N/A VAL 240.A N PRO 236.A O no hydrogen 2.969 N/A ASN 241.A N PHE 237.A O no hydrogen 2.704 N/A ILE 242.A N PHE 238.A O no hydrogen 3.413 N/A VAL 243.A N LEU 239.A O no hydrogen 3.176 N/A ASN 244.A N VAL 240.A O no hydrogen 2.863 N/A VAL 245.A N ASN 241.A O no hydrogen 3.255 N/A PHE 246.A N ILE 242.A O no hydrogen 3.385 N/A ASN 247.A N VAL 243.A O no hydrogen 3.046 N/A ARG 248.A NH2 ASP 149.A OD2 no hydrogen 3.004 N/A ASP 249.A N ASN 247.A OD1 no hydrogen 3.327 N/A LEU 250.A N ASN 247.A O no hydrogen 3.341 N/A PHE 256.A N PRO 252.A O no hydrogen 2.939 N/A VAL 257.A N ASP 253.A O no hydrogen 2.909 N/A ALA 258.A N TRP 254.A O no hydrogen 2.955 N/A PHE 259.A N LEU 255.A O no hydrogen 2.955 N/A ASN 260.A N PHE 256.A O no hydrogen 2.930 N/A ASN 260.A ND2 ASN 260.A O no hydrogen 2.851 N/A TRP 261.A N VAL 257.A O no hydrogen 2.825 N/A LEU 262.A N ALA 258.A O no hydrogen 3.020 N/A GLY 263.A N PHE 259.A O no hydrogen 3.267 N/A TYR 264.A N ASN 260.A O no hydrogen 3.042 N/A TYR 264.A OH ASP 86.A OD2 no hydrogen 2.696 N/A ALA 265.A N TRP 261.A O no hydrogen 2.880 N/A ASN 266.A N GLY 263.A O no hydrogen 3.089 N/A SER 267.A N TYR 264.A O no hydrogen 2.953 N/A SER 267.A OG ASP 52.A OD1 no hydrogen 2.979 N/A ALA 268.A N ALA 265.A O no hydrogen 2.993 N/A MET 269.A N ASN 266.A O no hydrogen 3.110 N/A ILE 273.A N MET 269.A O no hydrogen 2.891 N/A LEU 274.A N ASN 270.A O no hydrogen 2.792 N/A CYS 275.A N PRO 271.A O no hydrogen 2.866 N/A ARG 276.A N ILE 273.A O no hydrogen 3.213 N/A SER 277.A N LEU 274.A O no hydrogen 3.179 N/A SER 277.A OG THR 222.A OG1 no hydrogen 2.760 N/A PHE 280.A N ASP 279.A OD1 no hydrogen 2.856 N/A ARG 281.A N SER 277.A O no hydrogen 3.058 N/A ARG 281.A NH1 CYS 275.A O no hydrogen 2.759 N/A LYS 282.A N PRO 278.A O no hydrogen 3.291 N/A LYS 282.A NZ PRO 278.A O no hydrogen 3.127 N/A ALA 283.A N ASP 279.A O no hydrogen 3.309 N/A PHE 284.A N PHE 280.A O no hydrogen 3.020 N/A LYS 285.A N ARG 281.A O no hydrogen 2.957 N/A