Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w6u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N ASP 55.A OD2 no hydrogen 3.036 N/A ARG 1.A NE ASP 55.A OD2 no hydrogen 3.169 N/A ARG 1.A NH2 ASP 55.A OD1 no hydrogen 2.881 N/A VAL 2.A N PHE 21.A O no hydrogen 2.812 N/A GLY 3.A N VAL 56.A O no hydrogen 2.806 N/A PHE 4.A N ALA 24.A O no hydrogen 2.885 N/A ILE 5.A N ILE 58.A O no hydrogen 2.833 N/A GLY 6.A N TYR 26.A O no hydrogen 3.067 N/A LEU 7.A N ASN 27.A OD1 no hydrogen 2.705 N/A GLY 11.A N GLY 8.A O no hydrogen 2.949 N/A THR 14.A N GLY 11.A O no hydrogen 3.050 N/A THR 14.A OG1 GLY 11.A O no hydrogen 2.941 N/A HIS 15.A N PRO 12.A O no hydrogen 2.892 N/A HIS 15.A ND1 PRO 12.A O no hydrogen 3.132 N/A LEU 17.A N ALA 13.A O no hydrogen 2.950 N/A LYS 18.A N THR 14.A O no hydrogen 2.936 N/A ALA 19.A N HIS 15.A O no hydrogen 2.937 N/A GLY 20.A N LEU 17.A O no hydrogen 3.078 N/A PHE 21.A N LEU 16.A O no hydrogen 2.917 N/A LEU 22.A N LEU 16.A O no hydrogen 3.324 N/A ALA 23.A N VAL 2.A O no hydrogen 2.891 N/A ALA 24.A N VAL 2.A O no hydrogen 3.337 N/A VAL 25.A N TYR 42.A O no hydrogen 3.009 N/A TYR 26.A N PHE 4.A O no hydrogen 2.921 N/A ASN 27.A ND2 THR 29.A O no hydrogen 3.090 N/A THR 33.A N ARG 30.A O no hydrogen 2.858 N/A THR 33.A OG1 ARG 30.A O no hydrogen 2.808 N/A LYS 34.A N GLU 31.A O no hydrogen 3.128 N/A LYS 34.A NZ GLU 38.A OE2 no hydrogen 3.438 N/A PHE 36.A N THR 33.A O no hydrogen 2.906 N/A ALA 37.A N THR 33.A O no hydrogen 2.964 N/A GLU 38.A N LYS 34.A O no hydrogen 2.929 N/A ALA 39.A N PHE 36.A O no hydrogen 3.012 N/A GLY 40.A N ALA 37.A O no hydrogen 2.816 N/A VAL 41.A N PHE 36.A O no hydrogen 2.896 N/A TYR 42.A OH ASP 49.A OD2 no hydrogen 2.531 N/A ALA 44.A N VAL 25.A O no hydrogen 2.891 N/A GLU 45.A N ASP 49.A OD2 no hydrogen 3.046 N/A ALA 48.A N SER 74.A O no hydrogen 2.952 N/A ASP 49.A N SER 46.A OG no hydrogen 3.055 N/A LEU 50.A N SER 46.A O no hydrogen 2.976 N/A ALA 51.A N PRO 47.A O no hydrogen 2.802 N/A LYS 52.A N ALA 48.A O no hydrogen 3.150 N/A LYS 52.A NZ ASP 49.A OD1 no hydrogen 3.463 N/A ARG 53.A N LEU 50.A O no hydrogen 3.007 N/A ARG 53.A NE ASP 49.A O no hydrogen 3.139 N/A ARG 53.A NE ASP 49.A OD1 no hydrogen 3.205 N/A ARG 53.A NH2 ASP 49.A OD1 no hydrogen 2.885 N/A VAL 54.A N ALA 51.A O no hydrogen 3.508 N/A ASP 55.A N ARG 1.A O no hydrogen 3.025 N/A VAL 56.A N ARG 1.A O no hydrogen 3.233 N/A VAL 57.A N ILE 85.A O no hydrogen 2.800 N/A ILE 58.A N GLY 3.A O no hydrogen 2.938 N/A VAL 59.A N VAL 87.A O no hydrogen 2.919 N/A ASP 62.A N ASP 65.A OD2 no hydrogen 3.101 N/A ALA 63.A N ASP 62.A OD1 no hydrogen 2.652 N/A ASP 65.A N ASP 62.A O no hydrogen 2.946 N/A VAL 66.A N ASP 62.A O no hydrogen 3.133 N/A GLU 67.A N ALA 63.A O no hydrogen 2.818 N/A GLN 68.A N PRO 64.A O no hydrogen 3.030 N/A VAL 69.A N ASP 65.A O no hydrogen 3.068 N/A LEU 70.A N VAL 66.A O no hydrogen 2.896 N/A PHE 71.A N GLU 67.A O no hydrogen 2.742 N/A GLY 72.A N GLN 68.A O no hydrogen 2.963 N/A GLY 75.A N GLY 72.A O no hydrogen 2.920 N/A VAL 76.A N VAL 69.A O no hydrogen 2.793 N/A VAL 77.A N LEU 70.A O no hydrogen 2.956 N/A GLU 78.A N GLY 75.A O no hydrogen 2.994 N/A GLY 79.A N VAL 76.A O no hydrogen 2.906 N/A ALA 80.A N VAL 76.A O no hydrogen 2.847 N/A ARG 81.A NH1 LYS 52.A O no hydrogen 2.443 N/A ARG 81.A NH2 LYS 52.A O no hydrogen 3.538 N/A GLY 83.A N GLY 107.A O no hydrogen 2.853 N/A LEU 84.A N ARG 81.A O no hydrogen 3.117 N/A ILE 85.A N ASP 55.A O no hydrogen 2.977 N/A VAL 86.A N GLU 109.A O no hydrogen 2.769 N/A VAL 87.A N VAL 57.A O no hydrogen 2.670 N/A ASP 88.A N LEU 111.A O no hydrogen 2.964 N/A SER 89.A OG ASP 88.A OD1 no hydrogen 3.090 N/A ASN 91.A N GLN 159.A OE1 no hydrogen 2.793 N/A ASN 91.A ND2 ASP 88.A OD2 no hydrogen 2.917 N/A SER 92.A N ASN 91.A OD1 no hydrogen 2.874 N/A TRP 95.A N SER 92.A OG no hydrogen 3.236 N/A ALA 96.A N SER 92.A O no hydrogen 2.971 N/A ARG 97.A N PRO 93.A O no hydrogen 2.976 N/A LYS 98.A N ASP 94.A O no hydrogen 2.997 N/A PHE 99.A N TRP 95.A O no hydrogen 2.828 N/A ALA 100.A N ALA 96.A O no hydrogen 2.899 N/A GLU 101.A N ARG 97.A O no hydrogen 2.888 N/A ARG 102.A N LYS 98.A O no hydrogen 3.026 N/A LEU 103.A N PHE 99.A O no hydrogen 2.898 N/A ALA 104.A N ALA 100.A O no hydrogen 2.980 N/A GLN 105.A N ARG 102.A O no hydrogen 3.277 N/A GLN 105.A NE2 GLU 101.A O no hydrogen 3.373 N/A TYR 106.A N LEU 103.A O no hydrogen 2.888 N/A GLY 107.A N ALA 104.A O no hydrogen 2.918 N/A ILE 108.A N LEU 103.A O no hydrogen 3.212 N/A GLU 109.A N LEU 84.A O no hydrogen 3.044 N/A LEU 111.A N VAL 86.A O no hydrogen 2.981 N/A ASP 112.A N GLY 131.A O no hydrogen 3.031 N/A ALA 113.A N ASP 88.A O no hydrogen 2.848 N/A THR 116.A N THR 128.A O no hydrogen 2.869 N/A THR 116.A OG1 ASN 164.A OD1 no hydrogen 3.041 N/A LYS 120.A NZ GLU 124.A OE2 no hydrogen 3.241 N/A GLY 121.A N GLY 117.A O no hydrogen 2.984 N/A ALA 122.A N GLY 118.A O no hydrogen 3.136 N/A ILE 123.A N GLN 119.A O no hydrogen 2.957 N/A GLU 124.A N LYS 120.A O no hydrogen 2.848 N/A THR 126.A N GLY 121.A O no hydrogen 2.828 N/A THR 128.A N THR 116.A O no hydrogen 2.900 N/A ILE 129.A N ASP 149.A O no hydrogen 2.912 N/A GLY 131.A N ASP 112.A O no hydrogen 2.762 N/A GLY 132.A N GLY 153.A O no hydrogen 2.743 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.994 N/A PHE 137.A N LYS 133.A O no hydrogen 3.126 N/A HIS 138.A N GLU 134.A O no hydrogen 3.302 N/A ARG 139.A N GLU 135.A O no hydrogen 2.961 N/A LEU 140.A N LEU 136.A O no hydrogen 2.774 N/A LEU 141.A N HIS 138.A O no hydrogen 3.268 N/A PHE 144.A N LEU 140.A O no hydrogen 3.079 N/A LYS 145.A N LEU 141.A O no hydrogen 2.797 N/A ALA 146.A N PRO 142.A O no hydrogen 3.174 N/A ALA 146.A N ILE 143.A O no hydrogen 3.116 N/A ARG 148.A N LEU 127.A O no hydrogen 2.843 N/A VAL 151.A N ILE 129.A O no hydrogen 2.669 N/A TYR 152.A OH GLY 132.A O no hydrogen 2.783 N/A GLY 156.A N ASP 112.A OD1 no hydrogen 2.888 N/A TYR 157.A N PRO 154.A O no hydrogen 2.984 N/A GLN 159.A N ASP 112.A OD2 no hydrogen 2.863 N/A GLN 159.A NE2 SER 89.A O no hydrogen 3.241 N/A ALA 160.A N GLY 156.A O no hydrogen 2.887 N/A LYS 161.A NZ VAL 115.A O no hydrogen 2.832 N/A LYS 161.A NZ GLN 165.A OE1 no hydrogen 2.660 N/A LEU 162.A N GLN 159.A O no hydrogen 2.872 N/A VAL 163.A N ALA 160.A O no hydrogen 3.079 N/A GLN 165.A N LYS 161.A O no hydrogen 2.745 N/A GLN 165.A NE2 ASP 224.A OD2 no hydrogen 3.093 N/A VAL 166.A N LEU 162.A O no hydrogen 3.085 N/A VAL 167.A N VAL 163.A O no hydrogen 3.305 N/A VAL 168.A N ASN 164.A O no hydrogen 2.851 N/A ALA 169.A N GLN 165.A O no hydrogen 2.742 N/A LEU 170.A N VAL 166.A O no hydrogen 3.232 N/A ASN 171.A N VAL 167.A O no hydrogen 2.937 N/A THR 172.A N VAL 168.A O no hydrogen 3.008 N/A THR 172.A N ALA 169.A O no hydrogen 3.144 N/A THR 172.A OG1 VAL 168.A O no hydrogen 2.986 N/A VAL 173.A N ALA 169.A O no hydrogen 2.922 N/A ALA 174.A N LEU 170.A O no hydrogen 2.720 N/A GLU 176.A N VAL 173.A O no hydrogen 2.864 N/A GLY 177.A N ALA 174.A O no hydrogen 3.228 N/A LYS 179.A N VAL 175.A O no hydrogen 2.963 N/A LEU 180.A N GLU 176.A O no hydrogen 3.000 N/A ALA 181.A N GLY 177.A O no hydrogen 2.921 N/A LYS 182.A N LEU 178.A O no hydrogen 2.855 N/A ALA 183.A N LYS 179.A O no hydrogen 3.040 N/A LEU 184.A N LEU 180.A O no hydrogen 2.886 N/A GLY 185.A N LYS 182.A O no hydrogen 3.169 N/A LEU 186.A N ALA 181.A O no hydrogen 3.037 N/A LYS 189.A N ASP 187.A OD1 no hydrogen 3.351 N/A VAL 190.A N ASP 187.A O no hydrogen 2.881 N/A GLU 192.A N ASP 188.A O no hydrogen 3.088 N/A VAL 193.A N LYS 189.A O no hydrogen 2.883 N/A LEU 194.A N VAL 190.A O no hydrogen 3.011 N/A THR 195.A N ALA 191.A O no hydrogen 3.029 N/A THR 195.A OG1 ALA 191.A O no hydrogen 2.855 N/A ILE 200.A N SER 197.A OG no hydrogen 2.965 N/A GLU 201.A N SER 197.A O no hydrogen 2.936 N/A LEU 202.A N GLY 198.A O no hydrogen 2.752 N/A TYR 203.A N ALA 199.A O no hydrogen 2.695 N/A LEU 204.A N ILE 200.A O no hydrogen 3.069 N/A LYS 206.A NZ SER 213.A O no hydrogen 2.767 N/A LYS 206.A NZ SER 213.A OG no hydrogen 3.381 N/A LEU 207.A N TYR 203.A O no hydrogen 2.882 N/A LEU 208.A N LEU 204.A O no hydrogen 2.889 N/A LYS 209.A N PRO 205.A O no hydrogen 3.331 N/A GLY 210.A N LEU 207.A O no hydrogen 2.807 N/A ASP 211.A N LYS 206.A O no hydrogen 2.991 N/A SER 213.A N ASP 211.A OD1 no hydrogen 3.089 N/A SER 213.A OG ASP 211.A OD1 no hydrogen 2.673 N/A GLY 215.A N GLN 119.A OE1 no hydrogen 2.922 N/A ALA 218.A N LEU 259.A O no hydrogen 2.897 N/A GLU 219.A N GLY 257.A O no hydrogen 2.768 N/A LEU 221.A N LYS 217.A O no hydrogen 3.127 N/A LYS 222.A N ALA 218.A O no hydrogen 2.909 N/A LYS 223.A N GLU 219.A O no hydrogen 3.043 N/A LYS 223.A NZ SER 61.A O no hydrogen 3.125 N/A LYS 223.A NZ THR 90.A O no hydrogen 3.026 N/A LYS 223.A NZ ASP 224.A OD1 no hydrogen 2.739 N/A ASP 224.A N HIS 220.A O no hydrogen 3.046 N/A LEU 225.A N LEU 221.A O no hydrogen 2.838 N/A GLY 226.A N LYS 222.A O no hydrogen 3.107 N/A TYR 227.A N LYS 223.A O no hydrogen 3.105 N/A TYR 227.A OH ASP 62.A OD1 no hydrogen 2.642 N/A VAL 228.A N ASP 224.A O no hydrogen 2.905 N/A LEU 229.A N LEU 225.A O no hydrogen 2.881 N/A GLU 230.A N GLY 226.A O no hydrogen 2.889 N/A GLU 231.A N TYR 227.A O no hydrogen 2.945 N/A ALA 232.A N VAL 228.A O no hydrogen 2.933 N/A ARG 233.A N LEU 229.A O no hydrogen 2.817 N/A LYS 234.A N GLU 230.A O no hydrogen 2.976 N/A ARG 235.A N GLU 231.A O no hydrogen 3.159 N/A GLY 236.A N ARG 233.A O no hydrogen 3.068 N/A VAL 237.A N ALA 232.A O no hydrogen 2.931 N/A GLU 243.A N LEU 239.A O no hydrogen 2.986 N/A LEU 244.A N PRO 240.A O no hydrogen 3.071 N/A ALA 245.A N GLY 241.A O no hydrogen 2.920 N/A TYR 246.A N ALA 242.A O no hydrogen 2.902 N/A GLU 247.A N GLU 243.A O no hydrogen 3.147 N/A LEU 248.A N LEU 244.A O no hydrogen 2.938 N/A TYR 249.A N ALA 245.A O no hydrogen 2.901 N/A TYR 249.A OH ILE 261.A O no hydrogen 2.748 N/A ARG 250.A N TYR 246.A O no hydrogen 2.614 N/A LYS 251.A N GLU 247.A O no hydrogen 2.821 N/A LYS 251.A NZ ASP 254.A OD1 no hydrogen 3.477 N/A GLU 253.A N ARG 250.A O no hydrogen 2.932 N/A ASP 254.A N LYS 251.A O no hydrogen 2.908 N/A GLY 255.A N VAL 252.A O no hydrogen 2.911 N/A LEU 259.A N ALA 256.A O no hydrogen 2.997 N/A GLY 260.A N LEU 212.A O no hydrogen 2.918 N/A ILE 261.A N PHE 216.A O no hydrogen 2.801 N/A HIS 262.A NE2 ASP 211.A O no hydrogen 2.857 N/A ALA 263.A N GLY 260.A O no hydrogen 3.042 N/A LEU 264.A N ILE 261.A O no hydrogen 3.274 N/A PHE 266.A N ALA 263.A O no hydrogen 2.975 N/A TYR 267.A OH ASP 254.A OD2 no hydrogen 2.529 N/A