Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3q_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N GLU 95.A OE2 no hydrogen 3.051 N/A LYS 5.A NZ ASP 17.A OD2 no hydrogen 2.882 N/A ASN 8.A N ASP 11.A OD2 no hydrogen 2.765 N/A TYR 9.A N ASP 84.A OD1 no hydrogen 3.128 N/A TYR 9.A OH GLU 46.A OE2 no hydrogen 3.386 N/A ASP 11.A N ASN 8.A O no hydrogen 2.542 N/A ASN 14.A N ILE 18.A O no hydrogen 2.770 N/A ASN 14.A ND2 ASP 17.A OD1 no hydrogen 2.710 N/A GLY 15.A N ILE 18.A O no hydrogen 3.101 N/A VAL 16.A N ASN 14.A OD1 no hydrogen 2.721 N/A ASP 17.A N ASN 14.A OD1 no hydrogen 2.831 N/A ILE 18.A N ASN 14.A OD1 no hydrogen 3.276 N/A ALA 19.A N ALA 34.A O no hydrogen 3.221 N/A ILE 21.A N VAL 32.A O no hydrogen 3.093 N/A LYS 22.A N ASN 135.A O no hydrogen 3.063 N/A ASN 25.A ND2 ASP 130.A OD1 no hydrogen 3.226 N/A VAL 26.A N ILE 23.A O no hydrogen 3.160 N/A GLY 27.A N PRO 24.A O no hydrogen 3.368 N/A VAL 32.A N ILE 21.A O no hydrogen 3.005 N/A LYS 33.A NZ TYR 9.A O no hydrogen 2.677 N/A LYS 33.A NZ ASP 11.A O no hydrogen 2.749 N/A ALA 34.A N ALA 19.A O no hydrogen 2.585 N/A PHE 35.A N VAL 43.A O no hydrogen 2.919 N/A LYS 36.A N ASP 17.A O no hydrogen 2.793 N/A LYS 36.A NZ GLU 146.A OE2 no hydrogen 3.305 N/A HIS 38.A ND1 PHE 2.A O no hydrogen 2.916 N/A LYS 40.A NZ GLU 147.A O no hydrogen 3.274 N/A ILE 41.A N HIS 38.A O no hydrogen 3.085 N/A TRP 42.A N LEU 150.A O no hydrogen 2.958 N/A VAL 43.A N PHE 35.A O no hydrogen 2.747 N/A ILE 44.A N ILE 152.A O no hydrogen 2.834 N/A GLU 46.A N ILE 44.A O no hydrogen 2.679 N/A ARG 47.A NE PRO 155.A O no hydrogen 2.800 N/A ARG 47.A NE SER 156.A O no hydrogen 3.269 N/A ARG 47.A NH1 ASP 73.A O no hydrogen 2.956 N/A ARG 47.A NH1 TYR 76.A O no hydrogen 3.109 N/A ARG 47.A NH2 SER 156.A O no hydrogen 2.591 N/A ASP 48.A N GLY 154.A O no hydrogen 3.331 N/A THR 49.A OG1 ARG 47.A O no hydrogen 3.437 N/A PHE 50.A N ASP 48.A OD1 no hydrogen 3.291 N/A THR 51.A N ASP 48.A OD1 no hydrogen 2.886 N/A THR 51.A OG1 ASP 48.A OD1 no hydrogen 2.984 N/A THR 51.A OG1 ASP 48.A OD2 no hydrogen 2.605 N/A GLU 54.A N ASN 52.A OD1 no hydrogen 3.046 N/A GLU 55.A N ASN 52.A O no hydrogen 2.798 N/A VAL 67.A N LYS 65.A O no hydrogen 2.564 N/A TYR 71.A N ASP 158.A OD1 no hydrogen 3.242 N/A THR 75.A N ASP 73.A OD1 no hydrogen 2.685 N/A THR 75.A OG1 ASP 73.A OD1 no hydrogen 2.892 N/A TYR 76.A OH SER 188.A OG no hydrogen 2.640 N/A TYR 76.A OH ASP 190.A OD2 no hydrogen 2.664 N/A SER 78.A OG THR 75.A O no hydrogen 2.760 N/A THR 79.A OG1 GLU 82.A OE1 no hydrogen 3.522 N/A GLU 82.A N THR 79.A OG1 no hydrogen 3.009 N/A LYS 83.A N THR 79.A O no hydrogen 2.933 N/A LYS 83.A NZ GLU 46.A OE2 no hydrogen 3.149 N/A ASP 84.A N ASP 80.A O no hydrogen 2.899 N/A ASN 85.A N ASN 81.A O no hydrogen 3.289 N/A ASN 85.A ND2 ASP 190.A OD1 no hydrogen 3.503 N/A TYR 86.A N GLU 82.A O no hydrogen 2.846 N/A TYR 86.A OH PHE 187.A O no hydrogen 2.959 N/A LEU 87.A N LYS 83.A O no hydrogen 2.939 N/A LYS 88.A N ASP 84.A O no hydrogen 3.006 N/A LYS 88.A NZ ASP 84.A OD1 no hydrogen 2.975 N/A LYS 88.A NZ ASP 84.A OD2 no hydrogen 2.627 N/A GLY 89.A N ASN 85.A O no hydrogen 2.938 N/A VAL 90.A N TYR 86.A O no hydrogen 2.899 N/A THR 91.A N LEU 87.A O no hydrogen 3.049 N/A THR 91.A OG1 LEU 87.A O no hydrogen 2.731 N/A LYS 92.A N LYS 88.A O no hydrogen 3.029 N/A LEU 93.A N GLY 89.A O no hydrogen 3.162 N/A PHE 94.A N VAL 90.A O no hydrogen 2.942 N/A GLU 95.A N THR 91.A O no hydrogen 2.964 N/A ARG 96.A N LYS 92.A O no hydrogen 2.653 N/A ARG 96.A NE ASP 204.A OD2 no hydrogen 3.176 N/A ARG 96.A NH2 ASP 204.A OD2 no hydrogen 2.877 N/A ILE 97.A N LEU 93.A O no hydrogen 2.898 N/A TYR 98.A N PHE 94.A O no hydrogen 2.796 N/A SER 99.A N GLU 95.A O no hydrogen 2.767 N/A SER 99.A OG ARG 96.A O no hydrogen 2.585 N/A THR 100.A N ILE 97.A O no hydrogen 3.227 N/A THR 100.A OG1 ILE 97.A O no hydrogen 2.950 N/A GLY 103.A N THR 100.A OG1 no hydrogen 2.919 N/A ARG 104.A N THR 100.A O no hydrogen 2.894 N/A MET 105.A N ASP 101.A O no hydrogen 3.089 N/A LEU 106.A N LEU 102.A O no hydrogen 3.020 N/A LEU 107.A N GLY 103.A O no hydrogen 2.997 N/A THR 108.A N ARG 104.A O no hydrogen 2.875 N/A THR 108.A OG1 ARG 104.A O no hydrogen 2.783 N/A SER 109.A N MET 105.A O no hydrogen 2.871 N/A SER 109.A OG MET 105.A O no hydrogen 3.309 N/A ILE 110.A N LEU 106.A O no hydrogen 2.847 N/A VAL 111.A N LEU 107.A O no hydrogen 3.121 N/A ARG 112.A N THR 108.A O no hydrogen 2.841 N/A GLY 113.A N ILE 110.A O no hydrogen 3.023 N/A ILE 114.A N ARG 112.A O no hydrogen 3.164 N/A PHE 116.A N TYR 179.A O no hydrogen 2.933 N/A TRP 117.A NE1 GLU 147.A OE1 no hydrogen 3.069 N/A GLY 119.A N LYS 127.A O no hydrogen 2.851 N/A SER 120.A OG ILE 122.A O no hydrogen 2.895 N/A SER 120.A OG GLU 125.A OE2 no hydrogen 3.450 N/A ILE 122.A N SER 120.A OG no hydrogen 2.929 N/A GLU 125.A N ILE 122.A O no hydrogen 3.314 N/A LYS 127.A N TRP 117.A O no hydrogen 3.237 N/A THR 131.A OG1 ASN 132.A OD1 no hydrogen 2.767 N/A THR 131.A OG1 PHE 167.A O no hydrogen 3.543 N/A ASN 132.A N ILE 129.A O no hydrogen 2.786 N/A CYS 133.A N ASP 130.A O no hydrogen 3.173 N/A ILE 134.A N GLU 146.A O no hydrogen 3.044 N/A ASN 135.A N LYS 22.A O no hydrogen 2.925 N/A VAL 136.A N ARG 144.A O no hydrogen 2.826 N/A ILE 137.A N TYR 20.A O no hydrogen 3.124 N/A GLN 138.A N SER 142.A O no hydrogen 3.406 N/A GLN 138.A NE2 GLY 15.A O no hydrogen 2.826 N/A GLY 141.A N GLN 138.A O no hydrogen 2.976 N/A SER 142.A OG ASP 140.A OD1 no hydrogen 3.339 N/A SER 142.A OG ASP 140.A OD2 no hydrogen 2.503 N/A ARG 144.A N VAL 136.A O no hydrogen 2.970 N/A ARG 144.A NH1 GLU 146.A OE1 no hydrogen 2.919 N/A ARG 144.A NH2 GLY 15.A O no hydrogen 2.793 N/A GLU 146.A N ILE 134.A O no hydrogen 2.748 N/A ASN 149.A N LYS 40.A O no hydrogen 2.970 N/A ASN 149.A ND2 ILE 110.A O no hydrogen 3.012 N/A LEU 150.A N LYS 40.A O no hydrogen 3.066 N/A VAL 151.A N GLN 183.A O no hydrogen 2.748 N/A ILE 152.A N TRP 42.A O no hydrogen 3.046 N/A ILE 153.A N ILE 185.A O no hydrogen 2.689 N/A SER 156.A OG ASP 48.A O no hydrogen 3.285 N/A SER 156.A OG GLU 55.A OE1 no hydrogen 2.575 N/A ILE 159.A N TYR 71.A O no hydrogen 2.920 N/A ILE 160.A N ASP 158.A OD1 no hydrogen 3.328 N/A GLN 161.A N ASP 158.A O no hydrogen 3.092 N/A GLU 163.A N ARG 186.A O no hydrogen 3.176 N/A CYS 164.A SG GLN 183.A OE1 no hydrogen 3.575 N/A CYS 164.A SG GLU 212.A O no hydrogen 4.001 N/A LYS 165.A NZ THR 51.A OG1 no hydrogen 2.672 N/A SER 166.A OG SER 181.A OG no hydrogen 2.919 N/A SER 166.A OG THR 182.A O no hydrogen 3.096 N/A ARG 176.A N ASN 173.A O no hydrogen 2.944 N/A GLY 178.A N GLY 222.A O no hydrogen 2.943 N/A TYR 179.A N ASN 177.A OD1 no hydrogen 3.055 N/A GLY 180.A N LEU 174.A O no hydrogen 2.754 N/A SER 181.A OG SER 166.A OG no hydrogen 2.919 N/A THR 182.A N ASN 132.A OD1 no hydrogen 3.214 N/A THR 182.A OG1 LEU 148.A O no hydrogen 3.136 N/A GLN 183.A N ASN 149.A O no hydrogen 2.949 N/A GLN 183.A NE2 SER 181.A O no hydrogen 2.587 N/A TYR 184.A N LYS 165.A O no hydrogen 3.147 N/A ILE 185.A N VAL 151.A O no hydrogen 2.678 N/A ARG 186.A N GLU 163.A O no hydrogen 2.756 N/A ARG 186.A NH1 ASP 48.A OD2 no hydrogen 2.789 N/A PHE 187.A N ILE 153.A O no hydrogen 2.802 N/A SER 188.A OG TYR 76.A OH no hydrogen 2.640 N/A ASP 190.A N SER 188.A OG no hydrogen 3.219 N/A THR 192.A OG1 THR 203.A O no hydrogen 2.622 N/A PHE 195.A N PHE 201.A O no hydrogen 3.058 N/A GLU 197.A N GLY 199.A O no hydrogen 2.864 N/A PHE 201.A N PHE 195.A O no hydrogen 3.097 N/A THR 203.A N PHE 193.A O no hydrogen 2.806 N/A THR 203.A OG1 PHE 193.A O no hydrogen 3.452 N/A ALA 206.A N ASP 204.A OD1 no hydrogen 3.030 N/A VAL 207.A N ASP 204.A O no hydrogen 2.831 N/A THR 208.A N PRO 205.A O no hydrogen 3.273 N/A LEU 209.A N PRO 205.A O no hydrogen 3.052 N/A ALA 210.A N ALA 206.A O no hydrogen 2.803 N/A HIS 211.A N VAL 207.A O no hydrogen 3.097 N/A GLU 212.A N THR 208.A O no hydrogen 3.116 N/A LEU 213.A N LEU 209.A O no hydrogen 2.821 N/A ILE 214.A N ALA 210.A O no hydrogen 2.667 N/A HIS 215.A N HIS 211.A O no hydrogen 3.051 N/A HIS 215.A NE2 HIS 211.A NE2 no hydrogen 3.071 N/A ALA 216.A N GLU 212.A O no hydrogen 2.939 N/A GLY 217.A N LEU 213.A O no hydrogen 2.935 N/A HIS 218.A N ILE 214.A O no hydrogen 3.246 N/A ARG 219.A N HIS 215.A O no hydrogen 3.003 N/A ARG 219.A NE GLN 183.A OE1 no hydrogen 2.608 N/A LEU 220.A N ALA 216.A O no hydrogen 2.756 N/A TYR 221.A N GLY 217.A O no hydrogen 3.258 N/A TYR 221.A N HIS 218.A O no hydrogen 3.207 N/A TYR 221.A OH SER 109.A O no hydrogen 2.967 N/A GLY 222.A N ARG 219.A O no hydrogen 2.837 N/A ILE 223.A N HIS 218.A O no hydrogen 2.978 N/A ALA 224.A N THR 175.A O no hydrogen 2.794 N/A ASN 228.A N ASN 226.A OD1 no hydrogen 3.431 N/A ARG 229.A N ASN 226.A O no hydrogen 2.801 N/A