Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wxy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N THR 4.A OG1 no hydrogen 3.094 N/A LYS 8.A N THR 4.A O no hydrogen 2.802 N/A LYS 8.A NZ PHE 118.A O no hydrogen 2.836 N/A ARG 9.A N ASP 5.A O no hydrogen 2.797 N/A GLY 10.A N ARG 6.A O no hydrogen 2.799 N/A MET 11.A N VAL 7.A O no hydrogen 3.008 N/A ALA 12.A N ARG 9.A O no hydrogen 2.805 N/A GLU 13.A N ARG 9.A O no hydrogen 2.904 N/A MET 14.A N GLY 10.A O no hydrogen 2.811 N/A GLN 15.A N ALA 12.A O no hydrogen 2.802 N/A GLN 15.A NE2 VAL 38.A O no hydrogen 3.356 N/A LYS 16.A N GLU 13.A O no hydrogen 3.430 N/A LYS 16.A NZ GLU 13.A OE1 no hydrogen 3.109 N/A GLY 17.A N ASP 227.A O no hydrogen 2.796 N/A ILE 20.A N VAL 229.A O no hydrogen 2.812 N/A MET 21.A N ALA 39.A O no hydrogen 3.124 N/A ASP 22.A N VAL 231.A O no hydrogen 2.804 N/A VAL 23.A N MET 41.A O no hydrogen 2.801 N/A VAL 24.A N GLN 28.A OE1 no hydrogen 2.638 N/A GLN 28.A N ASN 25.A OD1 no hydrogen 2.849 N/A ALA 29.A N ASN 25.A O no hydrogen 3.113 N/A LYS 30.A N ALA 26.A O no hydrogen 2.809 N/A LYS 30.A NZ ALA 71.A O no hydrogen 3.371 N/A ILE 31.A N GLU 27.A O no hydrogen 2.928 N/A ALA 32.A N GLN 28.A O no hydrogen 2.798 N/A GLU 33.A N ALA 29.A O no hydrogen 2.957 N/A ALA 34.A N LYS 30.A O no hydrogen 2.802 N/A ALA 35.A N ILE 31.A O no hydrogen 2.793 N/A GLY 36.A N ALA 32.A O no hydrogen 3.054 N/A GLY 36.A N GLU 33.A O no hydrogen 3.180 N/A ALA 37.A N ALA 32.A O no hydrogen 2.815 N/A VAL 38.A N VAL 19.A O no hydrogen 2.804 N/A VAL 40.A N PRO 75.A O no hydrogen 3.088 N/A MET 41.A N MET 21.A O no hydrogen 2.800 N/A ALA 42.A N MET 77.A O no hydrogen 2.796 N/A LEU 43.A N VAL 23.A O no hydrogen 3.101 N/A ARG 45.A NH1 GLY 54.A O no hydrogen 3.225 N/A ARG 45.A NH2 GLY 54.A O no hydrogen 3.318 N/A ALA 48.A N SER 233.A OG no hydrogen 3.122 N/A ILE 50.A N VAL 46.A O no hydrogen 2.803 N/A ARG 51.A N PRO 47.A O no hydrogen 2.803 N/A ARG 51.A NH2 GLU 148.A OE1 no hydrogen 2.617 N/A ALA 52.A N ALA 48.A O no hydrogen 2.938 N/A ALA 53.A N ASP 49.A O no hydrogen 2.801 N/A GLY 54.A N ILE 50.A O no hydrogen 2.802 N/A ALA 57.A N THR 105.A OG1 no hydrogen 3.008 N/A MET 59.A N GLU 86.A OE2 no hydrogen 3.262 N/A ASP 61.A N GLU 44.A OE1 no hydrogen 2.798 N/A THR 63.A N ASP 61.A OD1 no hydrogen 3.030 N/A THR 63.A OG1 ASP 61.A OD1 no hydrogen 3.348 N/A VAL 64.A N ASP 61.A O no hydrogen 2.799 N/A ILE 65.A N ASP 61.A O no hydrogen 3.379 N/A GLU 66.A N PRO 62.A O no hydrogen 2.804 N/A GLU 67.A N THR 63.A O no hydrogen 2.802 N/A VAL 68.A N VAL 64.A O no hydrogen 2.808 N/A MET 69.A N ILE 65.A O no hydrogen 2.803 N/A ASN 70.A N GLU 66.A O no hydrogen 2.806 N/A ALA 71.A N GLU 67.A O no hydrogen 3.131 N/A ALA 71.A N VAL 68.A O no hydrogen 2.809 N/A SER 73.A N GLU 33.A OE1 no hydrogen 3.052 N/A SER 73.A N GLU 33.A OE2 no hydrogen 3.382 N/A SER 73.A OG GLU 33.A OE2 no hydrogen 2.652 N/A VAL 76.A N ASP 96.A OD2 no hydrogen 2.946 N/A MET 77.A N VAL 40.A O no hydrogen 2.794 N/A ALA 78.A N TYR 97.A O no hydrogen 3.287 N/A VAL 79.A N ASP 99.A O no hydrogen 2.805 N/A ARG 80.A N GLU 86.A OE1 no hydrogen 2.999 N/A ARG 80.A NE GLU 86.A OE2 no hydrogen 2.896 N/A ARG 80.A NH2 GLU 86.A OE2 no hydrogen 2.967 N/A GLY 82.A N GLU 100.A OE1 no hydrogen 2.981 N/A HIS 83.A N ARG 80.A O no hydrogen 2.801 N/A GLU 86.A N HIS 83.A ND1 no hydrogen 3.313 N/A ALA 87.A N HIS 83.A O no hydrogen 3.178 N/A ARG 88.A N TYR 84.A O no hydrogen 2.808 N/A ARG 88.A NE TYR 84.A OH no hydrogen 3.068 N/A ARG 88.A NH1 GLU 91.A OE1 no hydrogen 2.778 N/A ARG 88.A NH2 TYR 84.A OH no hydrogen 3.043 N/A ARG 88.A NH2 GLN 117.A O no hydrogen 2.983 N/A VAL 89.A N VAL 85.A O no hydrogen 2.796 N/A LEU 90.A N GLU 86.A O no hydrogen 2.808 N/A GLU 91.A N ALA 87.A O no hydrogen 2.799 N/A ALA 92.A N ARG 88.A O no hydrogen 2.804 N/A LEU 93.A N VAL 89.A O no hydrogen 2.804 N/A GLY 94.A N GLU 91.A O no hydrogen 2.803 N/A VAL 95.A N LEU 90.A O no hydrogen 3.288 N/A ASP 96.A N VAL 76.A O no hydrogen 2.794 N/A TYR 97.A OH LYS 8.A O no hydrogen 2.813 N/A ILE 98.A N PRO 121.A O no hydrogen 2.808 N/A ASP 99.A N ALA 78.A O no hydrogen 2.804 N/A GLU 100.A N VAL 123.A O no hydrogen 3.333 N/A SER 101.A N VAL 79.A O no hydrogen 2.810 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.855 N/A VAL 103.A N SER 101.A OG no hydrogen 2.969 N/A LEU 104.A N SER 101.A O no hydrogen 3.321 N/A THR 105.A N ALA 57.A O no hydrogen 2.861 N/A ALA 107.A N ILE 81.A O no hydrogen 2.807 N/A ASP 108.A N ILE 81.A O no hydrogen 2.806 N/A GLU 110.A N ASP 108.A OD1 no hydrogen 3.100 N/A PHE 111.A N ASP 108.A OD1 no hydrogen 2.977 N/A ILE 113.A N GLU 100.A OE1 no hydrogen 2.788 N/A LYS 115.A NZ GLU 100.A OE2 no hydrogen 2.805 N/A LYS 115.A NZ ILE 113.A O no hydrogen 2.751 N/A LYS 115.A NZ GLU 138.A OE1 no hydrogen 3.130 N/A ARG 116.A N GLU 138.A O no hydrogen 3.114 N/A ARG 116.A NE ASP 114.A OD1 no hydrogen 2.842 N/A ARG 116.A NH2 ASP 114.A OD1 no hydrogen 3.432 N/A ARG 116.A NH2 ASP 114.A OD2 no hydrogen 2.892 N/A GLN 117.A N ASP 114.A O no hydrogen 3.125 N/A GLN 117.A NE2 ASP 114.A OD2 no hydrogen 3.131 N/A PHE 118.A N LYS 115.A O no hydrogen 3.032 N/A THR 119.A N GLU 91.A OE2 no hydrogen 2.880 N/A VAL 120.A N GLU 91.A OE2 no hydrogen 3.227 N/A VAL 123.A N ILE 98.A O no hydrogen 2.795 N/A CYS 124.A N MET 142.A O no hydrogen 3.042 N/A CYS 124.A SG GLU 100.A OE2 no hydrogen 3.820 N/A CYS 126.A N ARG 144.A O no hydrogen 2.807 N/A CYS 126.A SG ARG 144.A O no hydrogen 3.960 N/A ARG 127.A N GLU 131.A OE2 no hydrogen 2.641 N/A ARG 127.A NE GLU 131.A OE2 no hydrogen 3.367 N/A ARG 127.A NH2 GLU 131.A OE1 no hydrogen 3.460 N/A LEU 129.A N GLN 167.A OE1 no hydrogen 2.705 N/A GLU 131.A N ASP 128.A OD1 no hydrogen 3.029 N/A ALA 132.A N ASP 128.A O no hydrogen 2.812 N/A ALA 133.A N LEU 129.A O no hydrogen 2.800 N/A ARG 134.A N GLY 130.A O no hydrogen 2.806 N/A ARG 134.A NE GLN 287.A O no hydrogen 3.237 N/A ARG 134.A NH1 GLY 187.A O no hydrogen 2.755 N/A ARG 135.A N GLU 131.A O no hydrogen 3.114 N/A ARG 135.A NE GLU 138.A OE1 no hydrogen 2.669 N/A ARG 135.A NH2 GLU 138.A OE1 no hydrogen 3.444 N/A ARG 135.A NH2 GLU 138.A OE2 no hydrogen 2.944 N/A ARG 135.A NH2 GLN 287.A O no hydrogen 3.259 N/A ILE 136.A N ALA 132.A O no hydrogen 2.807 N/A ALA 137.A N ALA 133.A O no hydrogen 2.801 N/A GLU 138.A N ARG 134.A O no hydrogen 2.810 N/A GLY 139.A N ILE 136.A O no hydrogen 2.804 N/A ALA 140.A N ARG 135.A O no hydrogen 2.809 N/A SER 141.A N PHE 122.A O no hydrogen 2.799 N/A MET 142.A N PHE 122.A O no hydrogen 3.228 N/A LEU 143.A N VAL 205.A O no hydrogen 2.799 N/A ARG 144.A N CYS 124.A O no hydrogen 2.810 N/A ARG 144.A NH2 GLU 102.A OE1 no hydrogen 2.630 N/A THR 145.A N PHE 207.A O no hydrogen 2.809 N/A THR 145.A OG1 ALA 209.A O no hydrogen 2.606 N/A LYS 146.A NZ GLU 131.A OE1 no hydrogen 2.947 N/A GLY 147.A N HIS 160.A ND1 no hydrogen 3.183 N/A THR 151.A N GLU 148.A O no hydrogen 3.381 N/A THR 151.A OG1 GLU 148.A O no hydrogen 2.520 N/A ASN 153.A N THR 151.A OG1 no hydrogen 3.119 N/A ASN 153.A ND2 ASP 276.A O no hydrogen 3.553 N/A VAL 155.A N ASN 153.A OD1 no hydrogen 3.193 N/A VAL 158.A N ILE 154.A O no hydrogen 2.808 N/A ARG 159.A N VAL 155.A O no hydrogen 2.808 N/A ARG 159.A NH1 GLU 156.A OE2 no hydrogen 2.602 N/A HIS 160.A N GLU 156.A O no hydrogen 2.812 N/A MET 161.A N ALA 157.A O no hydrogen 2.802 N/A ARG 162.A N VAL 158.A O no hydrogen 2.806 N/A LYS 163.A N ARG 159.A O no hydrogen 2.808 N/A VAL 164.A N HIS 160.A O no hydrogen 2.809 N/A ASN 165.A N MET 161.A O no hydrogen 2.817 N/A ALA 166.A N ARG 162.A O no hydrogen 2.805 N/A GLN 167.A N LYS 163.A O no hydrogen 2.803 N/A ILE 168.A N VAL 164.A O no hydrogen 2.808 N/A ARG 169.A N ASN 165.A O no hydrogen 3.007 N/A LYS 170.A N ALA 166.A O no hydrogen 3.068 N/A LYS 170.A NZ GLU 182.A OE2 no hydrogen 3.239 N/A VAL 171.A N GLN 167.A O no hydrogen 3.046 N/A VAL 172.A N ILE 168.A O no hydrogen 2.802 N/A ASN 173.A N ARG 169.A O no hydrogen 3.292 N/A ASN 173.A N LYS 170.A O no hydrogen 3.219 N/A ASN 173.A ND2 ARG 169.A O no hydrogen 3.030 N/A MET 174.A N VAL 171.A O no hydrogen 3.378 N/A SER 175.A OG ASP 177.A OD1 no hydrogen 2.800 N/A GLU 178.A N SER 175.A O no hydrogen 2.803 N/A LEU 179.A N GLU 176.A O no hydrogen 3.462 N/A GLU 182.A N GLU 178.A O no hydrogen 2.805 N/A ALA 183.A N LEU 179.A O no hydrogen 2.797 N/A LYS 184.A N VAL 180.A O no hydrogen 3.126 N/A GLN 185.A N ALA 181.A O no hydrogen 3.078 N/A LEU 186.A N GLU 182.A O no hydrogen 2.801 N/A GLY 187.A N LYS 184.A O no hydrogen 3.321 N/A ALA 188.A N ALA 183.A O no hydrogen 2.803 N/A VAL 192.A N PRO 189.A O no hydrogen 3.112 N/A ARG 194.A N VAL 190.A O no hydrogen 2.798 N/A GLU 195.A N GLU 191.A O no hydrogen 2.809 N/A ILE 196.A N VAL 192.A O no hydrogen 2.805 N/A LYS 197.A N LEU 193.A O no hydrogen 2.800 N/A LYS 197.A NZ VAL 172.A O no hydrogen 2.971 N/A LYS 197.A NZ MET 174.A O no hydrogen 2.708 N/A ARG 198.A N ARG 194.A O no hydrogen 2.808 N/A ARG 198.A NE GLU 195.A OE1 no hydrogen 3.063 N/A ARG 198.A NE GLU 195.A OE2 no hydrogen 3.253 N/A ARG 198.A NH2 GLU 195.A OE2 no hydrogen 2.939 N/A LEU 199.A N GLU 195.A O no hydrogen 2.808 N/A GLY 200.A N ILE 196.A O no hydrogen 2.801 N/A GLY 200.A N LYS 197.A O no hydrogen 3.201 N/A ASN 206.A N ASP 227.A OD2 no hydrogen 2.711 N/A PHE 207.A N LEU 143.A O no hydrogen 2.803 N/A ALA 208.A N GLY 228.A O no hydrogen 2.803 N/A ALA 209.A N THR 145.A OG1 no hydrogen 2.916 N/A THR 213.A N ASP 217.A OD2 no hydrogen 3.091 N/A THR 213.A OG1 GLY 152.A O no hydrogen 3.330 N/A THR 213.A OG1 GLY 211.A O no hydrogen 2.620 N/A ASP 217.A N THR 214.A OG1 no hydrogen 3.011 N/A ALA 218.A N THR 214.A O no hydrogen 2.805 N/A ALA 219.A N PRO 215.A O no hydrogen 2.805 N/A LEU 220.A N ALA 216.A O no hydrogen 2.799 N/A MET 221.A N ASP 217.A O no hydrogen 3.211 N/A MET 222.A N ALA 218.A O no hydrogen 3.351 N/A HIS 223.A N ALA 219.A O no hydrogen 2.797 N/A LEU 224.A N LEU 220.A O no hydrogen 2.802 N/A GLY 225.A N MET 222.A O no hydrogen 2.808 N/A ALA 226.A N MET 221.A O no hydrogen 2.795 N/A ASP 227.A N ASN 206.A O no hydrogen 2.807 N/A VAL 229.A N GLY 18.A O no hydrogen 3.124 N/A PHE 230.A N ALA 208.A O no hydrogen 2.812 N/A VAL 231.A N ILE 20.A O no hydrogen 2.804 N/A LYS 237.A N SER 233.A O no hydrogen 2.801 N/A LYS 237.A NZ ASP 49.A OD1 no hydrogen 2.695 N/A LYS 237.A NZ ASP 49.A OD2 no hydrogen 3.285 N/A SER 238.A OG ILE 235.A O no hydrogen 2.349 N/A GLU 239.A N GLY 270.A O no hydrogen 3.018 N/A LYS 243.A N ASN 240.A O no hydrogen 2.806 N/A TYR 244.A N ASN 240.A O no hydrogen 3.036 N/A TYR 244.A OH GLY 269.A O no hydrogen 3.408 N/A ALA 245.A N PRO 241.A O no hydrogen 2.799 N/A ARG 246.A N GLU 242.A O no hydrogen 3.455 N/A ALA 247.A N LYS 243.A O no hydrogen 3.181 N/A ILE 248.A N TYR 244.A O no hydrogen 2.803 N/A VAL 249.A N ALA 245.A O no hydrogen 3.110 N/A GLU 250.A N ARG 246.A O no hydrogen 2.802 N/A ALA 251.A N ALA 247.A O no hydrogen 2.802 N/A THR 252.A N ILE 248.A O no hydrogen 2.807 N/A THR 252.A OG1 ILE 248.A O no hydrogen 2.679 N/A THR 253.A N VAL 249.A O no hydrogen 3.129 N/A THR 253.A OG1 VAL 249.A O no hydrogen 3.276 N/A HIS 254.A N GLU 250.A O no hydrogen 2.798 N/A ASP 257.A N HIS 254.A O no hydrogen 3.057 N/A LEU 260.A N ASP 257.A OD1 no hydrogen 2.856 N/A ILE 261.A N ASP 257.A O no hydrogen 2.809 N/A ALA 262.A N TYR 258.A O no hydrogen 2.793 N/A HIS 263.A N GLU 259.A O no hydrogen 2.804 N/A LEU 264.A N LEU 260.A O no hydrogen 2.800 N/A SER 265.A N ILE 261.A O no hydrogen 2.806 N/A SER 265.A N ALA 262.A O no hydrogen 3.242 N/A SER 265.A OG ILE 261.A O no hydrogen 2.424 N/A LYS 266.A N HIS 263.A O no hydrogen 2.804 N/A GLY 270.A N GLU 239.A OE1 no hydrogen 2.841 N/A ILE 275.A N THR 151.A O no hydrogen 2.808 N/A HIS 284.A NE2 GLY 147.A O no hydrogen 3.053 N/A ARG 285.A NE GLU 102.A O no hydrogen 2.974 N/A ARG 285.A NH2 VAL 103.A O no hydrogen 3.330 N/A GLN 287.A N HIS 112.A NE2 no hydrogen 3.300 N/A GLN 287.A NE2 ARG 285.A O no hydrogen 2.722 N/A