Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wrg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 159.A OE1 no hydrogen 2.909 N/A MET 2.A N.A GLU 159.A OE1 no hydrogen 2.839 N/A MET 2.A N.B GLU 159.A OE1 no hydrogen 2.855 N/A ASN 7.A ND2 SER 64.A OG no hydrogen 3.090 N/A ALA 9.A N ASN 7.A OD1 no hydrogen 3.143 N/A LEU 14.A N ILE 76.A O no hydrogen 2.810 N/A GLU 18.A N LYS 15.A O no hydrogen 2.966 N/A PHE 19.A N GLU 16.A O no hydrogen 3.300 N/A LYS 20.A N LEU 32.A O no hydrogen 2.896 N/A LYS 21.A NZ GLU 48.A OE1 no hydrogen 3.137 N/A LYS 21.A NZ GLU 48.A OE2 no hydrogen 3.286 N/A ILE 22.A N LYS 30.A O no hydrogen 2.814 N/A LYS 23.A N LYS 30.A O no hydrogen 3.350 N/A LEU 25.A N VAL 28.A O no hydrogen 2.715 N/A GLY 26.A N VAL 28.A O no hydrogen 3.425 N/A VAL 28.A N GLY 26.A O no hydrogen 3.332 N/A TYR 29.A N ILE 46.A O no hydrogen 2.833 N/A LYS 30.A N LYS 23.A O no hydrogen 2.875 N/A GLY 31.A N VAL 44.A O no hydrogen 2.957 N/A LEU 32.A N LYS 20.A O no hydrogen 2.918 N/A TRP 33.A N ILE 42.A O no hydrogen 2.833 N/A TRP 33.A NE1 GLU 18.A OE1 no hydrogen 3.145 N/A ILE 34.A N GLU 18.A O no hydrogen 2.806 N/A GLU 36.A N GLU 18.A OE2 no hydrogen 3.318 N/A GLU 38.A N PRO 35.A O no hydrogen 3.303 N/A LYS 41.A N ASP 279.A O no hydrogen 2.978 N/A ILE 42.A N TRP 33.A O no hydrogen 2.843 N/A VAL 44.A N GLY 31.A O no hydrogen 2.972 N/A ALA 45.A N THR 85.A O no hydrogen 2.797 N/A ILE 46.A N TYR 29.A O no hydrogen 2.763 N/A LYS 47.A N LEU 83.A O no hydrogen 2.889 N/A LYS 47.A NZ GLU 58.A OE1.B no hydrogen 2.899 N/A GLU 48.A N THR 27.A O no hydrogen 3.012 N/A LYS 53.A N PRO 50.A O no hydrogen 3.137 N/A LEU 56.A N ASN 52.A O no hydrogen 3.214 N/A ASP 57.A N LYS 53.A O no hydrogen 2.997 N/A GLU 58.A N GLU 54.A O no hydrogen 2.924 N/A ALA 59.A N ILE 55.A O no hydrogen 2.851 N/A TYR 60.A N LEU 56.A O no hydrogen 2.930 N/A VAL 61.A N ASP 57.A O no hydrogen 3.127 N/A MET 62.A N GLU 58.A O no hydrogen 2.998 N/A ALA 63.A N ALA 59.A O no hydrogen 2.893 N/A SER 64.A N VAL 61.A O no hydrogen 2.918 N/A SER 64.A OG TYR 60.A O no hydrogen 2.627 N/A VAL 65.A N MET 62.A O no hydrogen 3.432 N/A ASP 66.A N TYR 121.A OH no hydrogen 2.746 N/A HIS 69.A N ASN 67.A OD1 no hydrogen 2.954 N/A HIS 69.A ND1 VAL 145.A O no hydrogen 3.059 N/A VAL 70.A N ASN 67.A O no hydrogen 3.215 N/A CYS 71.A N ILE 147.A O no hydrogen 2.835 N/A CYS 71.A SG.A ILE 147.A O no hydrogen 3.578 N/A CYS 71.A SG.B THR 148.A OG1 no hydrogen 3.664 N/A ARG 72.A NH1 ALA 283.A O no hydrogen 2.902 N/A ARG 72.A NH1 TYR 286.A O no hydrogen 3.341 N/A ARG 72.A NH2 TYR 286.A O no hydrogen 2.871 N/A LEU 74.A N ILE 84.A O no hydrogen 2.833 N/A GLY 75.A N ILE 84.A O no hydrogen 3.241 N/A ILE 76.A N ARG 12.A O no hydrogen 3.000 N/A CYS 77.A N GLN 82.A O no hydrogen 2.854 N/A CYS 77.A SG LEU 14.A O no hydrogen 3.264 N/A THR 79.A OG1 GLN 82.A OE1 no hydrogen 2.834 N/A GLN 82.A N CYS 77.A O no hydrogen 2.935 N/A LEU 83.A N LYS 47.A O no hydrogen 2.925 N/A ILE 84.A N GLY 75.A O no hydrogen 2.867 N/A THR 85.A N ALA 45.A O no hydrogen 2.985 N/A GLN 86.A N ARG 72.A O no hydrogen 3.084 N/A GLN 86.A NE2 ASP 282.A OD1 no hydrogen 3.274 N/A GLN 86.A NE2 ASP 284.A OD2 no hydrogen 3.113 N/A LEU 87.A N PRO 43.A O no hydrogen 3.054 N/A PHE 90.A N VAL 139.A O no hydrogen 3.171 N/A GLY 91.A N MET 88.A O no hydrogen 3.076 N/A LEU 93.A N ALA 134.A O no hydrogen 3.304 N/A VAL 96.A N LEU 92.A O no hydrogen 2.907 N/A ARG 97.A N LEU 93.A O no hydrogen 3.126 N/A ARG 97.A NE GLY 203.A O no hydrogen 2.735 N/A ARG 97.A NH2 GLY 203.A O no hydrogen 3.011 N/A GLU 98.A N ASP 94.A O no hydrogen 2.967 N/A HIS 99.A N TYR 95.A O no hydrogen 2.990 N/A HIS 99.A ND1 TYR 95.A O no hydrogen 3.078 N/A LYS 100.A NZ PHE 202.A O no hydrogen 3.177 N/A ASN 102.A N HIS 99.A O no hydrogen 2.827 N/A SER 105.A N ASP 276.A OD1 no hydrogen 2.934 N/A SER 105.A OG ASP 276.A OD1 no hydrogen 3.453 N/A SER 105.A OG ASP 276.A OD2 no hydrogen 2.560 N/A GLN 106.A NE2 ALA 264.A O no hydrogen 2.842 N/A LEU 108.A N GLY 104.A O no hydrogen 3.221 N/A LEU 109.A N SER 105.A O no hydrogen 3.039 N/A ASN 110.A N GLN 106.A O no hydrogen 2.981 N/A TRP 111.A N TYR 107.A O no hydrogen 2.900 N/A TRP 111.A NE1 PRO 142.A O no hydrogen 2.796 N/A CYS 112.A N LEU 108.A O no hydrogen 3.115 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.381 N/A VAL 113.A N LEU 109.A O no hydrogen 3.072 N/A GLN 114.A N ASN 110.A O no hydrogen 3.042 N/A GLN 114.A NE2 GLN 143.A O no hydrogen 2.796 N/A ILE 115.A N TRP 111.A O no hydrogen 3.012 N/A ALA 116.A N CYS 112.A O no hydrogen 3.142 N/A LYS 117.A N VAL 113.A O no hydrogen 2.867 N/A GLY 118.A N GLN 114.A O no hydrogen 2.967 N/A MET 119.A N ILE 115.A O no hydrogen 2.872 N/A ASN 120.A N ALA 116.A O no hydrogen 2.801 N/A TYR 121.A N LYS 117.A O no hydrogen 2.987 N/A LEU 122.A N GLY 118.A O no hydrogen 3.052 N/A GLU 123.A N MET 119.A O no hydrogen 2.861 N/A ASP 124.A N ASN 120.A O no hydrogen 2.940 N/A ARG 125.A N TYR 121.A O no hydrogen 3.011 N/A ARG 125.A NH2 SER 64.A O no hydrogen 2.784 N/A ARG 126.A N GLU 123.A O no hydrogen 2.855 N/A LEU 127.A N LEU 122.A O no hydrogen 2.939 N/A VAL 128.A N LYS 154.A O no hydrogen 2.902 N/A HIS 129.A N ASP 188.A OD2 no hydrogen 2.809 N/A HIS 129.A NE2 THR 148.A O no hydrogen 2.942 N/A ARG 130.A N ASP 188.A OD1 no hydrogen 3.040 N/A ARG 130.A NH1 LEU 152.A O no hydrogen 2.800 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 3.058 N/A ALA 134.A N GLU 198.A OE2 no hydrogen 2.831 N/A ARG 135.A NH1.B ASP 131.A OD1 no hydrogen 2.694 N/A ASN 136.A N ALA 133.A O no hydrogen 2.870 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.731 N/A VAL 137.A N ALA 134.A O no hydrogen 3.207 N/A LEU 138.A N LYS 146.A O no hydrogen 2.798 N/A VAL 139.A N GLY 91.A O no hydrogen 2.783 N/A LYS 140.A N HIS 144.A O no hydrogen 2.968 N/A LYS 140.A NZ ASP 282.A OD2 no hydrogen 3.374 N/A LYS 140.A NZ ASP 284.A OD2 no hydrogen 2.803 N/A THR 141.A N HIS 144.A O no hydrogen 3.334 N/A THR 141.A OG1 GLN 143.A OE1 no hydrogen 3.139 N/A GLN 143.A N THR 141.A OG1 no hydrogen 3.046 N/A GLN 143.A NE2 TYR 107.A OH no hydrogen 3.564 N/A HIS 144.A N THR 141.A O no hydrogen 2.903 N/A HIS 144.A NE2 PRO 68.A O no hydrogen 2.683 N/A VAL 145.A N GLN 114.A OE1 no hydrogen 2.778 N/A LYS 146.A N LEU 138.A O no hydrogen 2.958 N/A LYS 146.A NZ GLN 86.A OE1 no hydrogen 2.743 N/A LYS 146.A NZ ASP 284.A OD1 no hydrogen 2.947 N/A LYS 146.A NZ ASP 284.A OD2 no hydrogen 3.108 N/A ILE 147.A N HIS 69.A O no hydrogen 2.948 N/A THR 148.A N ASN 136.A O no hydrogen 2.912 N/A ASP 149.A N THR 148.A OG1 no hydrogen 2.742 N/A PHE 150.A N GLU 58.A OE2.A no hydrogen 3.012 N/A GLY 151.A N ASP 149.A OD1 no hydrogen 3.230 N/A ALA 153.A N PHE 150.A O no hydrogen 3.185 N/A LYS 154.A N VAL 128.A O no hydrogen 2.944 N/A LEU 156.A N ARG 126.A O no hydrogen 2.765 N/A GLY 157.A N GLU 160.A OE1 no hydrogen 3.119 N/A ALA 158.A N GLU 4.A OE2 no hydrogen 2.630 N/A GLU 160.A N GLY 157.A O no hydrogen 3.160 N/A TYR 163.A N TYR 183.A O no hydrogen 2.806 N/A ALA 165.A N ARG 181.A O no hydrogen 2.882 N/A LYS 171.A NZ TYR 207.A O no hydrogen 3.058 N/A LYS 171.A NZ ILE 210.A O no hydrogen 2.787 N/A TRP 172.A N PRO 169.A O no hydrogen 3.115 N/A TRP 172.A NE1 GLU 198.A OE2 no hydrogen 2.820 N/A MET 173.A N ILE 170.A O no hydrogen 3.141 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.792 N/A SER 177.A N ALA 174.A O no hydrogen 3.030 N/A SER 177.A OG ILE 182.A O no hydrogen 2.668 N/A ILE 178.A N ALA 174.A O no hydrogen 3.129 N/A LEU 179.A N LEU 175.A O no hydrogen 2.938 N/A HIS 180.A N GLU 176.A O no hydrogen 2.938 N/A ARG 181.A N SER 177.A O no hydrogen 3.039 N/A TYR 183.A N TYR 163.A O no hydrogen 2.872 N/A THR 184.A N SER 187.A OG no hydrogen 2.887 N/A GLN 186.A NE2 ALA 247.A O no hydrogen 3.262 N/A GLN 186.A NE2 PRO 251.A O no hydrogen 3.194 N/A SER 187.A N THR 184.A OG1 no hydrogen 2.956 N/A SER 187.A OG THR 184.A O no hydrogen 2.948 N/A ASP 188.A N THR 184.A O no hydrogen 3.121 N/A VAL 189.A N HIS 185.A O no hydrogen 3.111 N/A TRP 190.A N GLN 186.A O no hydrogen 3.396 N/A SER 191.A N SER 187.A O no hydrogen 3.297 N/A SER 191.A OG TRP 172.A O no hydrogen 2.634 N/A TYR 192.A N ASP 188.A O no hydrogen 2.828 N/A TYR 192.A OH CYS 112.A O no hydrogen 2.673 N/A GLY 193.A N VAL 189.A O no hydrogen 2.996 N/A VAL 194.A N TRP 190.A O no hydrogen 3.133 N/A THR 195.A N SER 191.A O no hydrogen 2.848 N/A THR 195.A OG1 SER 191.A O no hydrogen 2.823 N/A VAL 196.A N TYR 192.A O no hydrogen 2.833 N/A TRP 197.A N GLY 193.A O no hydrogen 3.080 N/A TRP 197.A NE1 PRO 226.A O no hydrogen 2.802 N/A GLU 198.A N VAL 194.A O no hydrogen 2.920 N/A LEU 199.A N THR 195.A O no hydrogen 3.106 N/A MET 200.A N VAL 196.A O no hydrogen 2.843 N/A THR 201.A N TRP 197.A O no hydrogen 3.064 N/A THR 201.A OG1 TRP 197.A O no hydrogen 2.977 N/A THR 201.A OG1 GLU 198.A O no hydrogen 3.246 N/A THR 201.A OG1 SER 204.A OG.A no hydrogen 2.962 N/A PHE 202.A N LEU 199.A O no hydrogen 2.998 N/A GLY 203.A N GLU 198.A O no hydrogen 2.765 N/A SER 204.A N.A THR 201.A OG1 no hydrogen 3.217 N/A SER 204.A N.B THR 201.A OG1 no hydrogen 3.184 N/A SER 204.A OG.A THR 201.A OG1 no hydrogen 2.962 N/A SER 204.A OG.B THR 201.A O no hydrogen 3.226 N/A ILE 210.A N TYR 207.A O no hydrogen 3.157 N/A GLU 214.A N PRO 211.A O no hydrogen 2.992 N/A ILE 215.A N ALA 212.A O no hydrogen 3.187 N/A ILE 218.A N GLU 214.A O no hydrogen 3.157 N/A LEU 219.A N ILE 215.A O no hydrogen 2.970 N/A GLU 220.A N SER 216.A O no hydrogen 2.819 N/A LYS 221.A N SER 217.A O no hydrogen 3.135 N/A GLY 222.A N LEU 219.A O no hydrogen 3.019 N/A GLU 223.A N ILE 218.A O no hydrogen 3.405 N/A ARG 224.A NE TRP 243.A O no hydrogen 2.874 N/A ARG 224.A NH1 TRP 243.A O no hydrogen 2.796 N/A ARG 224.A NH2 LEU 219.A O no hydrogen 2.972 N/A ARG 224.A NH2 GLU 223.A O no hydrogen 2.795 N/A GLN 227.A NE2 CYS 231.A O no hydrogen 3.075 N/A CYS 231.A N PRO 228.A O no hydrogen 3.003 N/A THR 232.A N TYR 270.A O no hydrogen 3.251 N/A THR 232.A OG1 TYR 270.A O no hydrogen 2.777 N/A VAL 235.A N THR 232.A O no hydrogen 3.099 N/A TYR 236.A N THR 232.A O no hydrogen 3.081 N/A TYR 236.A OH LEU 225.A O no hydrogen 2.481 N/A MET 237.A N ILE 233.A O no hydrogen 2.848 N/A MET 239.A N VAL 235.A O no hydrogen 3.342 N/A VAL 240.A N TYR 236.A O no hydrogen 2.914 N/A LYS 241.A N MET 237.A O no hydrogen 2.961 N/A CYS 242.A N ILE 238.A O no hydrogen 3.148 N/A CYS 242.A SG ILE 238.A O no hydrogen 3.363 N/A TRP 243.A N VAL 240.A O no hydrogen 2.874 N/A MET 244.A N LYS 241.A O no hydrogen 3.466 N/A SER 249.A N ASP 246.A O no hydrogen 2.899 N/A SER 249.A OG ASP 246.A OD2 no hydrogen 2.441 N/A ARG 250.A N ALA 247.A O no hydrogen 3.268 N/A ARG 250.A NE MET 244.A O no hydrogen 2.849 N/A ARG 250.A NH1 GLU 176.A OE1 no hydrogen 3.554 N/A ARG 250.A NH1 GLU 176.A OE2 no hydrogen 2.868 N/A ARG 250.A NH1 MET 244.A O no hydrogen 2.945 N/A ARG 250.A NH2 GLU 176.A OE1 no hydrogen 2.853 N/A ARG 250.A NH2 GLN 186.A O no hydrogen 2.956 N/A LYS 252.A N GLU 255.A OE1 no hydrogen 2.897 N/A LYS 252.A NZ GLU 123.A OE1 no hydrogen 2.736 N/A LEU 256.A N LYS 252.A O no hydrogen 2.947 N/A ILE 257.A N PHE 253.A O no hydrogen 2.916 N/A ILE 258.A N ARG 254.A O no hydrogen 3.342 N/A GLU 259.A N GLU 255.A O no hydrogen 2.920 N/A PHE 260.A N LEU 256.A O no hydrogen 3.003 N/A SER 261.A N ILE 257.A O no hydrogen 2.971 N/A SER 261.A OG ILE 257.A O no hydrogen 3.290 N/A SER 261.A OG ILE 258.A O no hydrogen 3.016 N/A LYS 262.A N ILE 258.A O no hydrogen 3.068 N/A LYS 262.A NZ GLU 259.A OE1 no hydrogen 3.434 N/A MET 263.A N GLU 259.A O no hydrogen 3.246 N/A ALA 264.A N PHE 260.A O no hydrogen 2.913 N/A ARG 265.A N LYS 262.A O no hydrogen 3.065 N/A ASP 266.A N MET 263.A O no hydrogen 2.942 N/A ARG 269.A N.A ASP 266.A O no hydrogen 3.090 N/A ARG 269.A N.B ASP 266.A O no hydrogen 3.086 N/A ARG 269.A NE.B ASP 266.A OD2 no hydrogen 2.597 N/A ARG 269.A NH1.B ASP 266.A OD2 no hydrogen 2.784 N/A TYR 270.A N PRO 267.A O no hydrogen 3.065 N/A LEU 271.A N PRO 267.A O no hydrogen 3.030 N/A VAL 272.A N ILE 230.A O no hydrogen 3.010 N/A ASP 276.A N ILE 273.A O no hydrogen 3.254 N/A VAL 280.A N MET 277.A O no hydrogen 3.137 N/A VAL 281.A N LYS 41.A O no hydrogen 2.997 N/A ASP 284.A N ASP 282.A OD2 no hydrogen 2.758 N/A GLU 285.A N ASP 282.A O no hydrogen 2.840 N/A TYR 286.A N ALA 283.A O no hydrogen 2.960 N/A TYR 286.A OH GLU 38.A OE2 no hydrogen 2.169 N/A