Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N MET 1.A O no hydrogen 3.040 N/A PHE 6.A N ALA 2.A O no hydrogen 2.988 N/A ALA 7.A N LEU 3.A O no hydrogen 2.955 N/A GLN 8.A N TYR 4.A O no hydrogen 2.962 N/A GLY 9.A N GLY 5.A O no hydrogen 3.160 N/A LEU 10.A N PHE 6.A O no hydrogen 3.087 N/A ILE 11.A N ALA 7.A O no hydrogen 2.931 N/A GLN 12.A N GLN 8.A O no hydrogen 3.299 N/A GLU 13.A N GLY 9.A O no hydrogen 2.764 N/A ALA 14.A N LEU 10.A O no hydrogen 2.875 N/A GLY 15.A N ILE 11.A O no hydrogen 2.953 N/A ILE 16.A N GLN 12.A O no hydrogen 3.114 N/A ARG 17.A N GLU 13.A O no hydrogen 3.138 N/A ILE 18.A N ALA 14.A O no hydrogen 3.088 N/A LYS 19.A N GLY 15.A O no hydrogen 3.083 N/A GLN 20.A N ILE 16.A O no hydrogen 3.063 N/A LEU 21.A N ARG 17.A O no hydrogen 3.102 N/A MET 22.A N ILE 18.A O no hydrogen 3.023 N/A GLU 23.A N LYS 19.A O no hydrogen 2.887 N/A GLN 24.A N GLN 20.A O no hydrogen 3.115 N/A ASN 25.A N LEU 21.A O no hydrogen 3.515 N/A LEU 26.A N GLU 23.A O no hydrogen 2.826 N/A THR 31.A OG1 ASN 27.A O no hydrogen 3.474 N/A ASN 32.A N ASP 28.A O no hydrogen 3.230 N/A VAL 33.A N LEU 29.A O no hydrogen 2.719 N/A ASP 34.A N VAL 30.A O no hydrogen 2.796 N/A LYS 35.A N THR 31.A O no hydrogen 3.046 N/A ALA 36.A N ASN 32.A O no hydrogen 2.946 N/A THR 37.A N VAL 33.A O no hydrogen 2.857 N/A THR 37.A OG1 VAL 33.A O no hydrogen 2.676 N/A GLU 38.A N ASP 34.A O no hydrogen 3.001 N/A ASP 39.A N LYS 35.A O no hydrogen 2.932 N/A PHE 40.A N ALA 36.A O no hydrogen 2.987 N/A ILE 41.A N THR 37.A O no hydrogen 2.979 N/A PHE 42.A N GLU 38.A O no hydrogen 2.669 N/A ASP 43.A N ASP 39.A O no hydrogen 2.951 N/A THR 44.A N PHE 40.A O no hydrogen 3.066 N/A THR 44.A OG1 PHE 40.A O no hydrogen 2.864 N/A ILE 45.A N ILE 41.A O no hydrogen 3.165 N/A LEU 46.A N PHE 42.A O no hydrogen 2.956 N/A GLU 47.A N ASP 43.A O no hydrogen 3.031 N/A THR 48.A N ILE 45.A O no hydrogen 3.026 N/A THR 48.A OG1 THR 44.A O no hydrogen 2.893 N/A TYR 49.A N ILE 45.A O no hydrogen 2.773 N/A HIS 52.A N TYR 49.A O no hydrogen 3.275 N/A GLN 53.A N THR 68.A O no hydrogen 2.905 N/A GLN 53.A NE2 LYS 66.A O no hydrogen 2.968 N/A LEU 55.A N TRP 70.A O no hydrogen 2.651 N/A GLY 56.A N HIS 60.A O no hydrogen 3.187 N/A GLU 57.A N VAL 72.A O no hydrogen 3.166 N/A GLU 58.A N GLU 38.A OE1 no hydrogen 2.959 N/A GLY 59.A N GLY 56.A O no hydrogen 3.080 N/A SER 65.A N ASP 63.A OD2 no hydrogen 3.051 N/A SER 65.A OG ASP 63.A OD1 no hydrogen 3.195 N/A SER 65.A OG ASP 63.A OD2 no hydrogen 2.605 N/A LYS 66.A N ASP 63.A O no hydrogen 3.109 N/A GLY 67.A N ASP 97.A OD1 no hydrogen 3.070 N/A VAL 69.A N TYR 95.A O no hydrogen 2.841 N/A TRP 70.A N GLN 53.A O no hydrogen 2.760 N/A TRP 70.A NE1 HIS 52.A ND1 no hydrogen 3.258 N/A VAL 71.A N GLY 93.A O no hydrogen 2.655 N/A VAL 72.A N LEU 55.A O no hydrogen 2.915 N/A ASP 73.A N SER 91.A O no hydrogen 2.940 N/A ILE 75.A N ASP 73.A OD1 no hydrogen 3.281 N/A ASP 76.A N ALA 89.A O no hydrogen 2.779 N/A ASN 80.A ND2 ASN 87.A O no hydrogen 2.792 N/A ASN 80.A ND2 TYR 171.A O no hydrogen 2.786 N/A PHE 81.A N GLY 77.A O no hydrogen 2.941 N/A VAL 82.A N THR 78.A O no hydrogen 2.759 N/A HIS 83.A N LEU 79.A O no hydrogen 2.839 N/A GLN 84.A N ASN 80.A O no hydrogen 2.765 N/A GLN 85.A N PHE 81.A O no hydrogen 3.266 N/A ASN 87.A ND2 GLN 84.A OE1 no hydrogen 3.105 N/A ALA 89.A N ASP 76.A O no hydrogen 2.941 N/A ILE 90.A N TYR 106.A O no hydrogen 3.157 N/A SER 91.A N ASP 73.A O no hydrogen 3.060 N/A ILE 92.A N PHE 104.A O no hydrogen 2.881 N/A GLY 93.A N VAL 71.A O no hydrogen 2.975 N/A ILE 94.A N ALA 102.A O no hydrogen 2.840 N/A TYR 95.A N VAL 69.A O no hydrogen 2.915 N/A ILE 96.A N LYS 99.A O no hydrogen 2.677 N/A ASP 97.A N GLY 67.A O no hydrogen 2.748 N/A LYS 99.A N ILE 96.A O no hydrogen 2.918 N/A TYR 101.A N ILE 94.A O no hydrogen 2.888 N/A ALA 102.A N ILE 94.A O no hydrogen 3.201 N/A GLY 103.A N ALA 116.A O no hydrogen 3.025 N/A PHE 104.A N ILE 92.A O no hydrogen 2.866 N/A VAL 105.A N TYR 114.A O no hydrogen 2.934 N/A TYR 106.A N ILE 90.A O no hydrogen 2.786 N/A TYR 106.A OH ASP 111.A OD1 no hydrogen 2.654 N/A ASP 107.A N VAL 112.A O no hydrogen 2.749 N/A ALA 110.A N ASP 107.A OD1 no hydrogen 3.344 N/A ASP 111.A N VAL 108.A O no hydrogen 3.281 N/A VAL 112.A N ASP 107.A O no hydrogen 3.220 N/A TYR 114.A N VAL 105.A O no hydrogen 2.804 N/A HIS 115.A N TYR 123.A O no hydrogen 2.949 N/A HIS 115.A ND1 TYR 4.A OH no hydrogen 2.700 N/A HIS 115.A NE2 GLY 125.A O no hydrogen 2.746 N/A ALA 116.A N GLY 103.A O no hydrogen 3.170 N/A VAL 118.A N TYR 101.A O no hydrogen 2.672 N/A GLY 119.A N GLU 208.A OE2 no hydrogen 2.825 N/A GLU 120.A N LYS 117.A O no hydrogen 3.020 N/A GLY 121.A N GLU 208.A OE1 no hydrogen 2.776 N/A TYR 123.A N HIS 115.A O no hydrogen 2.676 N/A ARG 124.A N GLN 127.A O no hydrogen 2.890 N/A GLY 125.A N LEU 113.A O no hydrogen 3.024 N/A GLN 127.A N ARG 124.A O no hydrogen 3.067 N/A LEU 129.A N ALA 122.A O no hydrogen 2.794 N/A LEU 132.A N VAL 209.A O no hydrogen 2.935 N/A SER 135.A N ASN 233.A OD1 no hydrogen 2.984 N/A SER 135.A OG SER 140.A OG no hydrogen 2.785 N/A LEU 137.A N GLU 239.A OE1 no hydrogen 2.838 N/A GLN 139.A N ASN 136.A O no hydrogen 3.097 N/A SER 140.A N LEU 137.A O no hydrogen 2.864 N/A SER 140.A OG SER 135.A OG no hydrogen 2.785 N/A SER 140.A OG ASN 136.A O no hydrogen 2.473 N/A ILE 141.A N GLU 187.A OE1 no hydrogen 2.931 N/A ILE 142.A N SER 167.A O no hydrogen 3.181 N/A GLY 143.A N ALA 188.A O no hydrogen 2.641 N/A ILE 144.A N ARG 169.A O no hydrogen 2.885 N/A TRP 148.A N ASN 145.A O no hydrogen 3.181 N/A LEU 149.A N PRO 146.A O no hydrogen 2.989 N/A THR 150.A N ASN 147.A O no hydrogen 3.380 N/A THR 150.A OG1 ASN 147.A O no hydrogen 2.798 N/A LEU 154.A N PRO 152.A O no hydrogen 2.698 N/A GLY 155.A N LYS 151.A O no hydrogen 2.885 N/A ILE 157.A N ILE 153.A O no hydrogen 3.122 N/A PHE 158.A N LEU 154.A O no hydrogen 2.806 N/A LYS 159.A N GLY 155.A O no hydrogen 2.906 N/A LYS 159.A NZ GLU 156.A OE1 no hydrogen 3.325 N/A VAL 162.A N PHE 158.A O no hydrogen 3.003 N/A ASN 163.A N LYS 159.A O no hydrogen 2.844 N/A ASP 164.A N GLU 160.A O no hydrogen 2.919 N/A SER 165.A N ILE 161.A O no hydrogen 3.032 N/A SER 165.A OG ILE 161.A O no hydrogen 2.846 N/A SER 165.A OG VAL 162.A O no hydrogen 2.873 N/A ARG 166.A N SER 140.A O no hydrogen 2.961 N/A ARG 169.A N ILE 142.A O no hydrogen 2.888 N/A ARG 169.A NH1 SER 167.A OG no hydrogen 2.747 N/A ARG 169.A NH1 ALA 168.A O no hydrogen 3.069 N/A TYR 171.A N GLU 177.A OE2 no hydrogen 2.937 N/A GLY 172.A N GLU 177.A OE2 no hydrogen 3.282 N/A SER 173.A OG ASP 76.A O no hydrogen 3.275 N/A SER 173.A OG ASP 76.A OD2 no hydrogen 3.552 N/A ALA 175.A N ASP 76.A OD2 no hydrogen 2.717 N/A GLU 177.A N SER 173.A O no hydrogen 2.767 N/A ILE 178.A N ALA 174.A O no hydrogen 2.946 N/A VAL 179.A N ALA 175.A O no hydrogen 3.028 N/A SER 180.A N LEU 176.A O no hydrogen 2.835 N/A SER 180.A OG LEU 176.A O no hydrogen 2.954 N/A VAL 181.A N GLU 177.A O no hydrogen 3.126 N/A ALA 182.A N ILE 178.A O no hydrogen 3.061 N/A THR 183.A N VAL 179.A O no hydrogen 2.788 N/A THR 183.A OG1 VAL 179.A O no hydrogen 3.294 N/A THR 183.A OG1 SER 180.A O no hydrogen 3.297 N/A GLY 184.A N VAL 181.A O no hydrogen 3.088 N/A LEU 186.A N SER 180.A O no hydrogen 3.064 N/A GLU 187.A N ILE 141.A O no hydrogen 2.955 N/A TYR 189.A N VAL 231.A O no hydrogen 3.022 N/A MET 190.A N GLY 143.A O no hydrogen 3.029 N/A THR 191.A N ILE 229.A O no hydrogen 3.133 N/A THR 191.A OG1 ARG 193.A O no hydrogen 3.415 N/A ARG 193.A N THR 191.A OG1 no hydrogen 3.319 N/A LEU 194.A N ASN 227.A O no hydrogen 2.794 N/A ASP 198.A N GLN 195.A O no hydrogen 2.850 N/A PHE 199.A N PRO 196.A O no hydrogen 3.255 N/A ALA 200.A N PRO 196.A O no hydrogen 2.833 N/A LEU 203.A N PHE 199.A O no hydrogen 2.885 N/A VAL 204.A N GLY 201.A O no hydrogen 3.229 N/A LEU 206.A N GLY 202.A O no hydrogen 2.960 N/A TYR 207.A N LEU 203.A O no hydrogen 2.967 N/A GLU 208.A N VAL 204.A O no hydrogen 3.144 N/A VAL 209.A N ILE 205.A O no hydrogen 3.382 N/A VAL 209.A N LEU 206.A O no hydrogen 3.209 N/A ASN 210.A N TYR 207.A O no hydrogen 2.932 N/A GLY 211.A N LEU 206.A O no hydrogen 3.152 N/A GLN 212.A N GLY 232.A O no hydrogen 2.928 N/A SER 214.A N LEU 230.A O no hydrogen 3.078 N/A SER 214.A OG ASN 215.A O no hydrogen 2.645 N/A SER 214.A OG HIS 237.A NE2 no hydrogen 2.976 N/A ASN 215.A N GLU 219.A O no hydrogen 2.907 N/A ASN 215.A ND2 GLU 219.A OE2 no hydrogen 2.957 N/A ASN 215.A ND2 ASN 227.A OD1 no hydrogen 3.064 N/A LEU 216.A N SER 228.A OG no hydrogen 2.795 N/A LEU 217.A N ASN 215.A OD1 no hydrogen 2.877 N/A GLY 218.A N ASN 215.A O no hydrogen 3.080 N/A GLU 219.A N ASN 215.A OD1 no hydrogen 2.793 N/A THR 222.A OG1 SER 224.A OG no hydrogen 2.840 N/A SER 224.A OG THR 222.A OG1 no hydrogen 2.840 N/A ASN 227.A N LEU 194.A O no hydrogen 2.996 N/A SER 228.A N ASN 227.A OD1 no hydrogen 2.981 N/A ILE 229.A N THR 191.A O no hydrogen 2.933 N/A LEU 230.A N SER 214.A O no hydrogen 2.899 N/A VAL 231.A N TYR 189.A O no hydrogen 3.039 N/A GLY 232.A N GLN 212.A O no hydrogen 3.128 N/A ASN 233.A N GLU 187.A O no hydrogen 3.289 N/A ASN 233.A ND2 SER 135.A OG no hydrogen 2.708 N/A ARG 234.A NE ASN 210.A O no hydrogen 2.987 N/A GLY 235.A N ASP 134.A OD1 no hydrogen 2.774 N/A LEU 236.A N ASN 233.A OD1 no hydrogen 3.059 N/A HIS 237.A N ASN 233.A O no hydrogen 2.875 N/A HIS 237.A NE2 SER 214.A OG no hydrogen 2.976 N/A GLN 238.A N ARG 234.A O no hydrogen 3.033 N/A GLU 239.A N GLY 235.A O no hydrogen 3.134 N/A ILE 240.A N LEU 236.A O no hydrogen 2.901 N/A SER 241.A N HIS 237.A O no hydrogen 2.959 N/A ASN 242.A N GLN 238.A O no hydrogen 2.786 N/A ASP 243.A N GLU 239.A O no hydrogen 3.015 N/A TYR 244.A N ILE 240.A O no hydrogen 3.089 N/A TYR 244.A OH ASP 164.A OD2 no hydrogen 3.074 N/A LEU 245.A N ILE 240.A O no hydrogen 3.024 N/A GLU 246.A N SER 241.A O no hydrogen 2.940 N/A HIS 248.A N LEU 245.A O no hydrogen 2.863 N/A HIS 249.A N GLU 246.A O no hydrogen 2.877 N/A LEU 252.A N HIS 248.A O no hydrogen 3.016 N/A ILE 253.A N HIS 249.A O no hydrogen 2.752 N/A GLN 254.A N ASP 250.A O no hydrogen 2.980 N/A LEU 255.A N ALA 251.A O no hydrogen 3.030 N/A HIS 256.A N LEU 252.A O no hydrogen 2.827 N/A GLU 257.A N ILE 253.A O no hydrogen 2.830 N/A GLN 258.A N GLN 254.A O no hydrogen 2.959 N/A ARG 259.A N LEU 255.A O no hydrogen 2.911 N/A PHE 260.A N HIS 256.A O no hydrogen 2.956 N/A LYS 261.A N GLU 257.A O no hydrogen 3.002 N/A