Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xxu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASP 29.A O no hydrogen 2.897 N/A THR 4.A N ASP 51.A OD2 no hydrogen 2.844 N/A VAL 5.A N VAL 31.A O no hydrogen 2.845 N/A PHE 6.A N LEU 52.A O no hydrogen 2.901 N/A ALA 7.A N SER 33.A O no hydrogen 2.973 N/A ALA 8.A N ILE 54.A O no hydrogen 3.000 N/A ALA 9.A N ALA 35.A O no hydrogen 2.920 N/A SER 10.A OG TYR 194.A OH no hydrogen 2.714 N/A LEU 11.A N ALA 8.A O no hydrogen 2.793 N/A THR 12.A N ALA 9.A O no hydrogen 3.023 N/A THR 12.A OG1 ALA 9.A O no hydrogen 2.643 N/A MET 15.A N LEU 11.A O no hydrogen 2.857 N/A GLN 16.A N THR 12.A O no hydrogen 3.012 N/A ASP 17.A N ASN 13.A O no hydrogen 3.037 N/A ILE 18.A N ALA 14.A O no hydrogen 2.868 N/A ALA 19.A N MET 15.A O no hydrogen 2.899 N/A THR 20.A N GLN 16.A O no hydrogen 3.002 N/A THR 20.A OG1 GLN 16.A O no hydrogen 3.043 N/A GLN 21.A N ASP 17.A O no hydrogen 3.034 N/A GLN 21.A NE2 GLU 25.A OE2 no hydrogen 2.768 N/A PHE 22.A N ILE 18.A O no hydrogen 2.875 N/A LYS 23.A N ALA 19.A O no hydrogen 2.961 N/A LYS 23.A NZ GLY 27.A O no hydrogen 3.534 N/A LYS 23.A NZ ASP 29.A OD1 no hydrogen 3.274 N/A LYS 24.A N THR 20.A O no hydrogen 3.114 N/A GLU 25.A N GLN 21.A O no hydrogen 2.946 N/A LYS 26.A N PHE 22.A O no hydrogen 2.737 N/A GLY 27.A N LYS 23.A O no hydrogen 2.864 N/A VAL 31.A N ILE 3.A O no hydrogen 2.813 N/A SER 33.A N VAL 5.A O no hydrogen 2.821 N/A SER 36.A OG SER 38.A OG no hydrogen 2.634 N/A SER 38.A N SER 36.A OG no hydrogen 3.370 N/A SER 38.A OG SER 36.A OG no hydrogen 2.634 N/A SER 38.A OG HIS 120.A ND1 no hydrogen 2.574 N/A SER 38.A OG HIS 120.A O no hydrogen 3.421 N/A LEU 40.A N SER 36.A O no hydrogen 2.993 N/A ALA 41.A N SER 37.A O no hydrogen 2.895 N/A ARG 42.A N SER 38.A O no hydrogen 2.972 N/A ARG 42.A NH1 TYR 63.A OH no hydrogen 2.589 N/A GLN 43.A N THR 39.A O no hydrogen 2.940 N/A ILE 44.A N LEU 40.A O no hydrogen 2.949 N/A GLU 45.A N ALA 41.A O no hydrogen 2.995 N/A ALA 46.A N ARG 42.A O no hydrogen 2.992 N/A GLY 47.A N ILE 44.A O no hydrogen 3.144 N/A ALA 48.A N GLN 43.A O no hydrogen 3.026 N/A ASP 51.A N THR 4.A O no hydrogen 2.788 N/A LEU 52.A N THR 4.A O no hydrogen 3.322 N/A PHE 53.A N ALA 197.A O no hydrogen 2.955 N/A ILE 54.A N PHE 6.A O no hydrogen 2.976 N/A SER 55.A N PRO 195.A O no hydrogen 3.066 N/A SER 55.A OG ASP 57.A O no hydrogen 2.732 N/A SER 55.A OG ASP 57.A OD1 no hydrogen 3.315 N/A ALA 56.A N SER 37.A OG no hydrogen 2.861 N/A ASP 57.A N SER 55.A OG no hydrogen 3.194 N/A GLN 58.A NE2 THR 77.A OG1 no hydrogen 3.020 N/A GLN 58.A NE2 GLU 193.A OE1 no hydrogen 3.004 N/A TRP 60.A N ASP 57.A OD1 no hydrogen 2.909 N/A TRP 60.A NE1 HIS 120.A O no hydrogen 2.933 N/A ASP 62.A N GLN 58.A O no hydrogen 2.783 N/A TYR 63.A N LYS 59.A O no hydrogen 2.914 N/A TYR 63.A OH GLU 45.A OE1 no hydrogen 2.601 N/A ALA 64.A N TRP 60.A O no hydrogen 3.124 N/A VAL 65.A N MET 61.A O no hydrogen 2.903 N/A ASP 66.A N ASP 62.A O no hydrogen 2.861 N/A LYS 67.A N TYR 63.A O no hydrogen 3.089 N/A LYS 68.A N VAL 65.A O no hydrogen 2.786 N/A ALA 69.A N ALA 64.A O no hydrogen 3.071 N/A ASP 71.A N VAL 198.A O no hydrogen 2.848 N/A ALA 73.A N ASP 71.A OD1 no hydrogen 3.259 N/A THR 74.A N ASP 71.A O no hydrogen 3.031 N/A THR 74.A OG1 ASP 71.A O no hydrogen 2.704 N/A ARG 75.A N THR 72.A O no hydrogen 3.166 N/A ARG 75.A NH1 ASP 62.A OD1 no hydrogen 2.821 N/A ARG 75.A NH2 GLN 58.A OE1 no hydrogen 2.817 N/A ARG 75.A NH2 ASP 62.A OD1 no hydrogen 2.818 N/A GLN 76.A N VAL 196.A O no hydrogen 3.070 N/A LEU 78.A N TYR 194.A O no hydrogen 2.795 N/A LEU 79.A N TYR 194.A O no hydrogen 3.423 N/A GLY 80.A N THR 229.A O no hydrogen 2.883 N/A ASN 81.A N VAL 192.A O no hydrogen 3.285 N/A ASN 81.A ND2 SER 170.A OG no hydrogen 2.841 N/A ASN 81.A ND2 TYR 194.A OH no hydrogen 3.023 N/A SER 82.A N ASN 81.A OD1 no hydrogen 2.911 N/A VAL 84.A N VAL 167.A O no hydrogen 2.850 N/A VAL 85.A N ALA 182.A O no hydrogen 2.810 N/A VAL 86.A N GLY 165.A O no hydrogen 2.871 N/A ALA 87.A N LYS 179.A O no hydrogen 3.030 N/A LYS 89.A N GLY 177.A O no hydrogen 3.358 N/A LYS 89.A NZ LYS 176.A O no hydrogen 2.966 N/A SER 91.A N PRO 88.A O no hydrogen 2.867 N/A GLN 93.A N SER 91.A OG no hydrogen 2.865 N/A GLN 93.A NE2 LYS 94.A O no hydrogen 2.585 N/A PHE 96.A N VAL 181.A O no hydrogen 2.931 N/A ASP 99.A N THR 102.A OG1 no hydrogen 2.934 N/A LYS 101.A N ASP 99.A OD1 no hydrogen 2.858 N/A THR 102.A N ASP 99.A O no hydrogen 3.273 N/A THR 102.A OG1 THR 97.A O no hydrogen 2.779 N/A THR 102.A OG1 ASP 99.A O no hydrogen 3.069 N/A THR 102.A OG1 ASP 99.A OD1 no hydrogen 3.422 N/A SER 106.A N ASN 103.A OD1 no hydrogen 2.976 N/A LEU 107.A N ASN 103.A O no hydrogen 3.003 N/A LEU 108.A N TRP 104.A O no hydrogen 2.882 N/A GLY 111.A N LEU 108.A O no hydrogen 2.674 N/A ARG 112.A NH1 PRO 142.A O no hydrogen 2.969 N/A ARG 112.A NH1 LEU 144.A O no hydrogen 3.071 N/A LEU 113.A N LYS 143.A O no hydrogen 2.872 N/A ALA 114.A N LEU 164.A O no hydrogen 2.980 N/A VAL 115.A N ALA 145.A O no hydrogen 3.155 N/A ASP 117.A N ALA 147.A O no hydrogen 2.881 N/A GLU 119.A N ASP 117.A OD1 no hydrogen 2.992 N/A HIS 120.A N ASP 117.A O no hydrogen 3.053 N/A HIS 120.A ND1 SER 38.A OG no hydrogen 2.574 N/A VAL 121.A N ASP 117.A O no hydrogen 2.868 N/A ILE 125.A N VAL 121.A O no hydrogen 2.876 N/A TYR 126.A N PRO 122.A O no hydrogen 2.870 N/A TYR 126.A OH ALA 56.A O no hydrogen 2.660 N/A ALA 127.A N ALA 123.A O no hydrogen 3.070 N/A LYS 128.A N GLY 124.A O no hydrogen 2.843 N/A GLU 129.A N ILE 125.A O no hydrogen 3.012 N/A ALA 130.A N TYR 126.A O no hydrogen 3.059 N/A LEU 131.A N ALA 127.A O no hydrogen 2.856 N/A GLN 132.A N LYS 128.A O no hydrogen 2.871 N/A LYS 133.A N GLU 129.A O no hydrogen 3.037 N/A LYS 133.A NZ ASP 187.A O no hydrogen 3.381 N/A LEU 134.A N ALA 130.A O no hydrogen 2.947 N/A GLY 135.A N GLN 132.A O no hydrogen 3.135 N/A ALA 136.A N LEU 131.A O no hydrogen 2.815 N/A TRP 137.A N LEU 131.A O no hydrogen 3.226 N/A LEU 140.A N ALA 136.A O no hydrogen 3.011 N/A SER 141.A N TRP 137.A O no hydrogen 2.734 N/A LYS 143.A N LEU 140.A O no hydrogen 2.634 N/A LYS 143.A NZ THR 139.A O no hydrogen 3.105 N/A ALA 145.A N LEU 113.A O no hydrogen 2.813 N/A ALA 147.A N VAL 115.A O no hydrogen 2.848 N/A ARG 151.A NE ASP 171.A OD1 no hydrogen 2.775 N/A ARG 151.A NH1 ASN 13.A OD1 no hydrogen 2.861 N/A ARG 151.A NH2 ASN 13.A OD1 no hydrogen 2.843 N/A GLY 152.A N ASP 149.A O no hydrogen 2.994 N/A GLY 152.A N ASP 149.A OD1 no hydrogen 2.895 N/A ALA 153.A N ASP 149.A O no hydrogen 3.185 N/A LEU 154.A N VAL 150.A O no hydrogen 2.912 N/A ALA 155.A N ARG 151.A O no hydrogen 2.918 N/A LEU 156.A N GLY 152.A O no hydrogen 3.143 N/A VAL 157.A N ALA 153.A O no hydrogen 3.422 N/A GLU 158.A N LEU 154.A O no hydrogen 2.886 N/A ARG 159.A N ALA 155.A O no hydrogen 2.879 N/A ASN 160.A N VAL 157.A O no hydrogen 2.945 N/A GLU 161.A N LEU 156.A O no hydrogen 2.848 N/A ALA 162.A N LEU 156.A O no hydrogen 3.220 N/A GLY 165.A N VAL 86.A O no hydrogen 3.080 N/A ILE 166.A N ALA 114.A O no hydrogen 2.837 N/A VAL 167.A N VAL 84.A O no hydrogen 3.044 N/A TYR 168.A N ASP 171.A OD2 no hydrogen 2.861 N/A GLY 169.A N SER 82.A O no hydrogen 2.948 N/A SER 170.A N ASN 81.A OD1 no hydrogen 3.201 N/A ASP 171.A N TYR 168.A O no hydrogen 2.913 N/A ALA 172.A N TYR 168.A O no hydrogen 3.456 N/A VAL 173.A N GLY 169.A O no hydrogen 3.233 N/A ALA 174.A N SER 170.A O no hydrogen 3.031 N/A SER 175.A N ALA 172.A O no hydrogen 3.237 N/A SER 175.A OG GLU 158.A OE2 no hydrogen 2.715 N/A GLY 177.A N SER 175.A OG no hydrogen 3.206 N/A LYS 179.A N ALA 87.A O no hydrogen 2.923 N/A LYS 179.A NZ SER 91.A O no hydrogen 3.391 N/A VAL 181.A N VAL 85.A O no hydrogen 2.869 N/A ALA 182.A N VAL 85.A O no hydrogen 3.371 N/A PHE 184.A N LEU 83.A O no hydrogen 2.863 N/A SER 188.A N PRO 185.A O no hydrogen 3.046 N/A SER 188.A OG PRO 185.A O no hydrogen 2.718 N/A HIS 189.A ND1 LYS 190.A O no hydrogen 2.636 N/A LYS 190.A N GLU 129.A OE1 no hydrogen 2.760 N/A GLU 193.A N TYR 126.A OH no hydrogen 3.287 N/A TYR 194.A N LEU 79.A O no hydrogen 2.875 N/A TYR 194.A OH SER 10.A OG no hydrogen 2.714 N/A VAL 196.A N GLN 76.A O no hydrogen 2.868 N/A ALA 197.A N PHE 53.A O no hydrogen 3.030 N/A VAL 198.A N THR 74.A OG1 no hydrogen 2.821 N/A VAL 199.A N ASP 51.A O no hydrogen 2.883 N/A GLU 200.A N ALA 69.A O no hydrogen 2.913 N/A HIS 202.A N VAL 199.A O no hydrogen 2.937 N/A HIS 202.A ND1 ASP 51.A OD1 no hydrogen 2.656 N/A ASN 204.A N HIS 202.A O no hydrogen 2.899 N/A VAL 207.A N ASN 204.A OD1 no hydrogen 2.879 N/A LYS 208.A N ASN 204.A O no hydrogen 2.897 N/A LYS 208.A NZ ASP 212.A OD1 no hydrogen 2.856 N/A ALA 209.A N ALA 205.A O no hydrogen 2.962 N/A PHE 210.A N THR 206.A O no hydrogen 3.167 N/A TYR 211.A N VAL 207.A O no hydrogen 2.898 N/A TYR 211.A OH THR 74.A O no hydrogen 2.505 N/A ASP 212.A N LYS 208.A O no hydrogen 2.892 N/A TYR 213.A N ALA 209.A O no hydrogen 3.035 N/A TYR 213.A OH GLU 25.A OE1 no hydrogen 2.904 N/A LEU 214.A N PHE 210.A O no hydrogen 2.923 N/A LYS 215.A N ASP 212.A O no hydrogen 3.037 N/A LYS 215.A NZ GLN 76.A OE1 no hydrogen 3.049 N/A GLY 216.A N TYR 213.A O no hydrogen 2.949 N/A GLN 218.A N GLN 218.A OE1 no hydrogen 3.012 N/A ALA 220.A N GLY 216.A O no hydrogen 3.053 N/A GLU 221.A N PRO 217.A O no hydrogen 3.058 N/A ILE 222.A N GLN 218.A O no hydrogen 3.337 N/A PHE 223.A N ALA 219.A O no hydrogen 2.826 N/A LYS 224.A N ALA 220.A O no hydrogen 2.943 N/A LYS 224.A NZ GLU 221.A OE1 no hydrogen 3.129 N/A ARG 225.A N GLU 221.A O no hydrogen 3.038 N/A ARG 225.A NH1 ASP 17.A OD2 no hydrogen 2.845 N/A ARG 225.A NH2 ASP 17.A OD2 no hydrogen 3.224 N/A ARG 225.A NH2 TYR 226.A OH no hydrogen 3.108 N/A TYR 226.A N ILE 222.A O no hydrogen 3.117 N/A TYR 226.A N PHE 223.A O no hydrogen 3.177 N/A TYR 226.A OH ASP 17.A OD2 no hydrogen 2.613 N/A GLY 227.A N LYS 224.A O no hydrogen 3.017 N/A PHE 228.A N PHE 223.A O no hydrogen 3.069 N/A THR 229.A N GLY 80.A O no hydrogen 2.975 N/A LYS 231.A N LEU 78.A O no hydrogen 3.071 N/A LYS 231.A NZ GLU 193.A OE2 no hydrogen 3.215 N/A