Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xar_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N GLY 63.A O no hydrogen 3.414 N/A MET 8.A N ASP 5.A OD1 no hydrogen 2.754 N/A VAL 9.A N ASP 5.A O no hydrogen 3.388 N/A GLU 10.A N LYS 6.A O no hydrogen 2.987 N/A LYS 11.A N LYS 7.A O no hydrogen 2.973 N/A CYS 12.A N MET 8.A O no hydrogen 2.873 N/A CYS 12.A SG MET 8.A O no hydrogen 3.460 N/A TRP 13.A N VAL 9.A O no hydrogen 2.918 N/A LYS 14.A N GLU 10.A O no hydrogen 3.026 N/A LEU 15.A N LYS 11.A O no hydrogen 3.037 N/A MET 16.A N CYS 12.A O no hydrogen 2.899 N/A ASP 17.A N TRP 13.A O no hydrogen 2.974 N/A LYS 18.A N LYS 14.A O no hydrogen 2.993 N/A VAL 19.A N LEU 15.A O no hydrogen 2.952 N/A VAL 20.A N MET 16.A O no hydrogen 2.911 N/A ARG 21.A N ASP 17.A O no hydrogen 2.996 N/A LEU 22.A N LYS 18.A O no hydrogen 2.939 N/A CYS 23.A N VAL 19.A O no hydrogen 2.938 N/A CYS 23.A N VAL 20.A O no hydrogen 3.102 N/A CYS 23.A SG VAL 19.A O no hydrogen 3.202 N/A GLN 24.A N ARG 21.A O no hydrogen 3.129 N/A LYS 27.A N ASN 25.A OD1 no hydrogen 2.949 N/A LEU 28.A N ASN 25.A O no hydrogen 3.224 N/A ASP 39.A N TYR 36.A O no hydrogen 2.857 N/A LEU 40.A N TYR 36.A O no hydrogen 2.921 N/A LEU 41.A N ILE 37.A O no hydrogen 3.098 N/A ASP 43.A N ASP 39.A O no hydrogen 3.287 N/A THR 44.A N LEU 40.A O no hydrogen 2.922 N/A THR 44.A OG1 LEU 40.A O no hydrogen 2.928 N/A TYR 45.A N LEU 41.A O no hydrogen 2.941 N/A GLN 46.A N PRO 42.A O no hydrogen 2.836 N/A HIS 47.A N ASP 43.A O no hydrogen 2.928 N/A LEU 48.A N THR 44.A O no hydrogen 2.920 N/A ARG 49.A N TYR 45.A O no hydrogen 3.009 N/A THR 50.A N GLN 46.A O no hydrogen 3.042 N/A THR 50.A OG1 GLN 46.A O no hydrogen 3.030 N/A ILE 51.A N HIS 47.A O no hydrogen 2.993 N/A LEU 52.A N LEU 48.A O no hydrogen 3.017 N/A SER 53.A N ARG 49.A O no hydrogen 2.894 N/A SER 53.A OG ARG 49.A O no hydrogen 2.528 N/A ARG 54.A N THR 50.A O no hydrogen 3.036 N/A ARG 54.A NE SER 124.A O no hydrogen 2.810 N/A TYR 55.A N ILE 51.A O no hydrogen 2.997 N/A GLY 63.A N MET 59.A O no hydrogen 3.025 N/A TYR 67.A OH GLU 117.A OE1 no hydrogen 3.132 N/A PHE 68.A N ASN 65.A OD1 no hydrogen 2.845 N/A ARG 69.A N ASN 65.A O no hydrogen 3.152 N/A ARG 69.A NE PRO 1.A O no hydrogen 3.195 N/A VAL 70.A N GLU 66.A O no hydrogen 3.047 N/A PHE 71.A N TYR 67.A O no hydrogen 2.788 N/A MET 72.A N PHE 68.A O no hydrogen 2.976 N/A GLU 73.A N ARG 69.A O no hydrogen 2.958 N/A ASN 74.A N VAL 70.A O no hydrogen 2.931 N/A ASN 74.A ND2 THR 184.A O no hydrogen 3.227 N/A LEU 75.A N PHE 71.A O no hydrogen 2.779 N/A MET 76.A N MET 72.A O no hydrogen 2.946 N/A LYS 77.A N GLU 73.A O no hydrogen 3.005 N/A LYS 77.A NZ GLU 73.A OE2 no hydrogen 3.415 N/A LYS 78.A N ASN 74.A O no hydrogen 2.878 N/A LYS 78.A NZ ASN 74.A OD1 no hydrogen 2.506 N/A LYS 78.A NZ CYS 185.A O no hydrogen 2.953 N/A THR 79.A N LEU 75.A O no hydrogen 3.013 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.806 N/A THR 79.A OG1 MET 76.A O no hydrogen 2.979 N/A LYS 80.A N MET 76.A O no hydrogen 3.037 N/A GLN 81.A N LYS 77.A O no hydrogen 2.834 N/A THR 82.A N LYS 78.A O no hydrogen 2.986 N/A THR 82.A OG1 LYS 78.A O no hydrogen 2.807 N/A ILE 83.A N THR 79.A O no hydrogen 2.996 N/A SER 84.A N LYS 80.A O no hydrogen 2.984 N/A LEU 85.A N GLN 81.A O no hydrogen 2.912 N/A PHE 86.A N THR 82.A O no hydrogen 3.135 N/A LYS 87.A N ILE 83.A O no hydrogen 2.947 N/A GLU 88.A N SER 84.A O no hydrogen 2.988 N/A TYR 94.A N GLU 91.A O no hydrogen 3.086 N/A SER 98.A OG ARG 92.A O no hydrogen 3.119 N/A ARG 102.A N SER 98.A O no hydrogen 2.784 N/A ASN 103.A N GLN 99.A O no hydrogen 2.994 N/A LEU 104.A N PRO 100.A O no hydrogen 2.939 N/A THR 105.A N ARG 101.A O no hydrogen 2.988 N/A THR 105.A OG1 ARG 101.A O no hydrogen 3.091 N/A LYS 106.A N ARG 102.A O no hydrogen 2.960 N/A LEU 107.A N ASN 103.A O no hydrogen 2.897 N/A SER 108.A N LEU 104.A O no hydrogen 2.898 N/A SER 108.A OG LEU 104.A O no hydrogen 2.607 N/A LEU 109.A N THR 105.A O no hydrogen 3.035 N/A ILE 110.A N LYS 106.A O no hydrogen 3.066 N/A PHE 111.A N LEU 107.A O no hydrogen 2.909 N/A SER 112.A N SER 108.A O no hydrogen 2.997 N/A HIS 113.A N LEU 109.A O no hydrogen 2.980 N/A HIS 113.A ND1 LEU 183.A O no hydrogen 3.322 N/A MET 114.A N ILE 110.A O no hydrogen 2.878 N/A LEU 115.A N PHE 111.A O no hydrogen 2.946 N/A ALA 116.A N SER 112.A O no hydrogen 3.016 N/A GLU 117.A N HIS 113.A O no hydrogen 2.926 N/A LEU 118.A N MET 114.A O no hydrogen 2.915 N/A LYS 119.A N LEU 115.A O no hydrogen 2.974 N/A GLY 120.A N ALA 116.A O no hydrogen 2.951 N/A GLY 120.A N GLU 117.A O no hydrogen 3.240 N/A ILE 121.A N GLU 117.A O no hydrogen 2.971 N/A PHE 122.A N LEU 118.A O no hydrogen 2.877 N/A GLY 125.A N PHE 122.A O no hydrogen 3.257 N/A LEU 126.A N PRO 123.A O no hydrogen 3.120 N/A PHE 127.A N TYR 55.A OH no hydrogen 3.227 N/A GLN 128.A N ILE 121.A O no hydrogen 2.654 N/A THR 131.A OG1 THR 131.A O no hydrogen 2.161 N/A THR 135.A N ASP 195.A OD1 no hydrogen 3.361 N/A THR 135.A OG1 ASP 195.A OD1 no hydrogen 3.210 N/A ALA 140.A N LYS 136.A O no hydrogen 3.044 N/A GLU 141.A N ALA 137.A O no hydrogen 2.906 N/A PHE 142.A N ASP 138.A O no hydrogen 3.031 N/A TRP 143.A N ALA 139.A O no hydrogen 2.992 N/A TRP 143.A NE1 LYS 150.A O no hydrogen 2.983 N/A ARG 144.A N ALA 140.A O no hydrogen 2.905 N/A LYS 145.A N GLU 141.A O no hydrogen 2.956 N/A ALA 146.A N PHE 142.A O no hydrogen 2.903 N/A PHE 147.A N TRP 143.A O no hydrogen 2.905 N/A LYS 150.A N PHE 147.A O no hydrogen 3.432 N/A THR 151.A OG1 ASP 130.A OD1 no hydrogen 2.724 N/A VAL 153.A N ILE 189.A O no hydrogen 2.932 N/A TRP 155.A N ASP 187.A O no hydrogen 3.136 N/A SER 157.A OG PRO 154.A O no hydrogen 2.531 N/A PHE 158.A N PRO 154.A O no hydrogen 3.224 N/A ARG 159.A N TRP 155.A O no hydrogen 2.861 N/A GLN 160.A N LYS 156.A O no hydrogen 2.974 N/A ALA 161.A N SER 157.A O no hydrogen 3.005 N/A LEU 162.A N PHE 158.A O no hydrogen 2.920 N/A HIS 163.A N ARG 159.A O no hydrogen 2.972 N/A GLU 164.A N GLN 160.A O no hydrogen 2.973 N/A VAL 165.A N ALA 161.A O no hydrogen 3.270 N/A HIS 166.A N LEU 162.A O no hydrogen 2.439 N/A ILE 168.A N HIS 163.A ND1 no hydrogen 2.960 N/A SER 169.A N GLU 173.A OE1 no hydrogen 2.560 N/A SER 169.A OG GLU 173.A OE1 no hydrogen 2.579 N/A LEU 172.A N SER 170.A OG no hydrogen 3.162 N/A ALA 174.A N SER 170.A O no hydrogen 3.232 N/A MET 175.A N GLY 171.A O no hydrogen 2.944 N/A ALA 176.A N LEU 172.A O no hydrogen 2.926 N/A LEU 177.A N GLU 173.A O no hydrogen 2.922 N/A LYS 178.A N ALA 174.A O no hydrogen 2.891 N/A LYS 178.A NZ ASP 182.A OD2 no hydrogen 3.481 N/A SER 179.A N MET 175.A O no hydrogen 2.905 N/A SER 179.A OG MET 175.A O no hydrogen 3.569 N/A SER 179.A OG ALA 176.A O no hydrogen 2.576 N/A THR 180.A N LEU 177.A O no hydrogen 3.053 N/A THR 180.A OG1 ALA 176.A O no hydrogen 2.738 N/A ILE 181.A N LEU 177.A O no hydrogen 2.958 N/A ASP 182.A N LYS 178.A O no hydrogen 2.971 N/A LEU 183.A N ILE 181.A O no hydrogen 2.929 N/A THR 184.A N GLU 193.A OE2 no hydrogen 3.031 N/A THR 184.A OG1 ASN 186.A OD1 no hydrogen 2.677 N/A THR 184.A OG1 GLU 193.A OE2 no hydrogen 3.309 N/A CYS 185.A N ASP 182.A O no hydrogen 3.280 N/A ASN 186.A N ASP 182.A OD1 no hydrogen 3.481 N/A ASP 187.A N ASP 182.A OD2 no hydrogen 3.150 N/A TYR 188.A N ASN 186.A OD1 no hydrogen 3.239 N/A ILE 189.A N VAL 153.A O no hydrogen 2.849 N/A SER 190.A N GLU 193.A OE1 no hydrogen 2.935 N/A SER 190.A OG GLU 117.A OE2 no hydrogen 2.518 N/A SER 190.A OG GLU 193.A OE1 no hydrogen 3.364 N/A VAL 191.A N THR 151.A O no hydrogen 2.911 N/A GLU 193.A N SER 190.A OG no hydrogen 3.242 N/A PHE 194.A N SER 190.A O no hydrogen 2.978 N/A ASP 195.A N VAL 191.A O no hydrogen 2.943 N/A ILE 196.A N PHE 192.A O no hydrogen 3.078 N/A PHE 197.A N GLU 193.A O no hydrogen 2.986 N/A THR 198.A N PHE 194.A O no hydrogen 3.013 N/A THR 198.A OG1 PHE 194.A O no hydrogen 2.774 N/A THR 198.A OG1 ASP 195.A O no hydrogen 3.196 N/A ARG 199.A N ASP 195.A O no hydrogen 3.011 N/A LEU 200.A N ILE 196.A O no hydrogen 2.994 N/A PHE 201.A N PHE 197.A O no hydrogen 3.005 N/A SER 206.A OG ASN 210.A OD1 no hydrogen 3.058 N/A LEU 207.A N TRP 204.A O no hydrogen 3.097 N/A ASN 210.A N SER 206.A O no hydrogen 2.887 N/A ASN 210.A ND2 PHE 201.A O no hydrogen 3.025 N/A TRP 211.A N LEU 207.A O no hydrogen 2.984 N/A ASN 212.A N LEU 208.A O no hydrogen 3.029 N/A ASN 212.A ND2 GLU 173.A OE2 no hydrogen 3.214 N/A ASN 212.A ND2 LEU 208.A O no hydrogen 2.312 N/A SER 213.A N ARG 209.A O no hydrogen 3.169 N/A SER 213.A N ASN 210.A O no hydrogen 3.070 N/A SER 213.A OG ARG 209.A O no hydrogen 3.089 N/A LEU 214.A N ASN 210.A O no hydrogen 2.679 N/A ALA 215.A N TRP 211.A O no hydrogen 3.072 N/A VAL 216.A N TRP 211.A O no hydrogen 3.018 N/A THR 217.A N ASN 212.A O no hydrogen 3.058 N/A THR 217.A OG1 ASN 212.A O no hydrogen 2.706 N/A GLY 220.A N HIS 218.A ND1 no hydrogen 3.015 N/A TYR 221.A N HIS 218.A O no hydrogen 3.080 N/A MET 222.A N PHE 246.A O no hydrogen 3.096 N/A LEU 225.A N LEU 248.A O no hydrogen 3.349 N/A THR 226.A N GLU 229.A OE1 no hydrogen 2.921 N/A THR 226.A OG1 GLU 229.A OE1 no hydrogen 3.109 N/A VAL 230.A N THR 226.A O no hydrogen 2.982 N/A LYS 231.A N TYR 227.A O no hydrogen 2.984 N/A LYS 231.A NZ TYR 227.A OH no hydrogen 2.914 N/A ALA 232.A N ASP 228.A O no hydrogen 2.869 N/A ARG 233.A N GLU 229.A O no hydrogen 2.956 N/A ARG 233.A NE ASP 294.A OD1 no hydrogen 3.260 N/A ARG 233.A NH2 ASP 294.A OD2 no hydrogen 3.055 N/A LEU 234.A N VAL 230.A O no hydrogen 2.905 N/A PHE 237.A N LEU 234.A O no hydrogen 3.064 N/A LYS 240.A N PHE 237.A O no hydrogen 3.162 N/A LYS 240.A NZ GLY 295.A O no hydrogen 2.725 N/A LYS 240.A NZ ASN 297.A OD1 no hydrogen 2.830 N/A GLY 242.A N VAL 261.A O no hydrogen 3.324 N/A SER 243.A N LYS 240.A O no hydrogen 3.378 N/A SER 243.A OG PHE 237.A O no hydrogen 3.516 N/A SER 243.A OG LYS 240.A O no hydrogen 3.071 N/A TYR 244.A N PHE 292.A O no hydrogen 2.755 N/A TYR 244.A OH ASN 299.A OD1 no hydrogen 2.475 N/A ILE 245.A N GLY 259.A O no hydrogen 2.941 N/A PHE 246.A N GLY 220.A O no hydrogen 2.950 N/A ARG 247.A N ALA 257.A O no hydrogen 3.006 N/A LEU 248.A N ALA 223.A O no hydrogen 2.609 N/A SER 249.A OG THR 251.A OG1 no hydrogen 2.841 N/A THR 251.A N SER 249.A OG no hydrogen 3.405 N/A THR 251.A OG1 SER 249.A OG no hydrogen 2.841 N/A ARG 252.A N SER 249.A O no hydrogen 3.056 N/A TRP 256.A NE1 LEU 200.A O no hydrogen 2.576 N/A ALA 257.A N ARG 247.A O no hydrogen 3.059 N/A ILE 258.A N THR 270.A O no hydrogen 2.927 N/A GLY 259.A N ILE 245.A O no hydrogen 2.719 N/A TYR 260.A N LEU 268.A O no hydrogen 2.936 N/A VAL 261.A N SER 243.A O no hydrogen 3.272 N/A THR 262.A N ASN 266.A O no hydrogen 2.798 N/A THR 262.A OG1 ASN 266.A O no hydrogen 3.228 N/A ASN 266.A N THR 262.A OG1 no hydrogen 2.580 N/A LEU 268.A N TYR 260.A O no hydrogen 2.841 N/A THR 270.A N ILE 258.A O no hydrogen 2.819 N/A GLN 279.A N PRO 276.A O no hydrogen 3.067 N/A ALA 280.A N PRO 276.A O no hydrogen 3.412 N/A LEU 281.A N LEU 277.A O no hydrogen 2.988 N/A ILE 282.A N PHE 278.A O no hydrogen 2.889 N/A ASP 283.A N GLN 279.A O no hydrogen 2.967 N/A GLY 284.A N ALA 280.A O no hydrogen 2.916 N/A PHE 285.A N LEU 281.A O no hydrogen 2.985 N/A ARG 286.A N ILE 282.A O no hydrogen 2.982 N/A GLY 288.A N PHE 285.A O no hydrogen 3.223 N/A PHE 289.A N GLY 284.A O no hydrogen 2.794 N/A TYR 290.A N GLY 284.A O no hydrogen 3.080 N/A LEU 291.A N GLY 242.A O no hydrogen 2.637 N/A PHE 292.A N GLY 242.A O no hydrogen 3.027 N/A ASP 294.A N TYR 244.A O no hydrogen 2.872 N/A GLY 295.A N PHE 292.A O no hydrogen 3.241 N/A ARG 296.A N PRO 293.A O no hydrogen 3.040 N/A THR 303.A N ASP 301.A OD1 no hydrogen 3.446 N/A THR 303.A OG1 ASP 301.A OD1 no hydrogen 2.799 N/A