Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ook_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 7.A OE1 no hydrogen 3.297 N/A GLN 8.A N THR 4.A O no hydrogen 2.997 N/A THR 9.A N PRO 5.A O no hydrogen 3.059 N/A THR 9.A OG1 PRO 5.A O no hydrogen 2.861 N/A LEU 10.A N ASP 6.A O no hydrogen 2.861 N/A LEU 11.A N GLN 7.A O no hydrogen 3.009 N/A HIS 12.A N GLN 8.A O no hydrogen 3.089 N/A PHE 13.A N THR 9.A O no hydrogen 2.973 N/A ILE 14.A N LEU 10.A O no hydrogen 2.939 N/A MET 15.A N LEU 11.A O no hydrogen 2.883 N/A ASP 16.A N HIS 12.A O no hydrogen 2.996 N/A SER 17.A N PHE 13.A O no hydrogen 3.147 N/A SER 17.A OG PHE 13.A O no hydrogen 2.859 N/A TYR 18.A N ILE 14.A O no hydrogen 2.890 N/A TYR 18.A OH GLU 92.A OE1 no hydrogen 2.620 N/A ASN 19.A N MET 15.A O no hydrogen 2.963 N/A LYS 20.A N SER 17.A O no hydrogen 3.414 N/A GLN 21.A NE2 TYR 18.A O no hydrogen 3.060 N/A ARG 22.A NH1 GLU 47.A OE1 no hydrogen 3.349 N/A ARG 22.A NH1 GLU 47.A OE2 no hydrogen 3.502 N/A ARG 22.A NH2 GLU 47.A OE2 no hydrogen 3.298 N/A THR 28.A N PRO 24.A O no hydrogen 3.205 N/A THR 28.A OG1 PRO 24.A O no hydrogen 3.199 N/A THR 28.A OG1 GLN 25.A O no hydrogen 3.321 N/A ASN 29.A N GLN 25.A O no hydrogen 2.824 N/A ASN 29.A ND2 GLN 25.A OE1 no hydrogen 3.050 N/A LYS 30.A N GLU 26.A O no hydrogen 3.254 N/A ILE 31.A N ILE 27.A O no hydrogen 3.238 N/A LEU 32.A N THR 28.A O no hydrogen 2.921 N/A LYS 33.A N ASN 29.A O no hydrogen 2.623 N/A LYS 33.A NZ GLU 34.A OE1 no hydrogen 3.172 N/A SER 37.A N GLU 40.A OE1 no hydrogen 2.703 N/A SER 37.A OG GLU 40.A OE1 no hydrogen 3.065 N/A GLU 40.A N SER 37.A OG no hydrogen 3.201 N/A ASN 41.A N SER 37.A O no hydrogen 2.904 N/A ASN 41.A ND2 SER 113.A O no hydrogen 3.451 N/A PHE 42.A N ALA 38.A O no hydrogen 2.911 N/A LEU 43.A N GLU 39.A O no hydrogen 3.332 N/A ILE 44.A N GLU 40.A O no hydrogen 3.024 N/A LEU 45.A N ASN 41.A O no hydrogen 2.899 N/A THR 46.A N PHE 42.A O no hydrogen 2.879 N/A THR 46.A OG1 LEU 43.A O no hydrogen 3.003 N/A GLU 47.A N LEU 43.A O no hydrogen 3.092 N/A MET 48.A N ILE 44.A O no hydrogen 2.841 N/A ALA 49.A N LEU 45.A O no hydrogen 2.795 N/A THR 50.A N THR 46.A O no hydrogen 3.058 N/A THR 50.A OG1 THR 46.A O no hydrogen 2.631 N/A THR 50.A OG1 THR 220.A OG1 no hydrogen 2.920 N/A ASN 51.A N GLU 47.A O no hydrogen 3.090 N/A HIS 52.A N MET 48.A O no hydrogen 2.913 N/A VAL 53.A N ALA 49.A O no hydrogen 3.174 N/A GLN 54.A N THR 50.A O no hydrogen 3.229 N/A VAL 55.A N ASN 51.A O no hydrogen 3.009 N/A LEU 56.A N HIS 52.A O no hydrogen 2.811 N/A VAL 57.A N VAL 53.A O no hydrogen 2.912 N/A GLU 58.A N GLN 54.A O no hydrogen 3.403 N/A PHE 59.A N VAL 55.A O no hydrogen 2.992 N/A THR 60.A N LEU 56.A O no hydrogen 2.855 N/A THR 60.A OG1 LEU 56.A O no hydrogen 2.698 N/A LYS 61.A N VAL 57.A O no hydrogen 2.924 N/A LYS 61.A NZ GLU 58.A OE1 no hydrogen 3.316 N/A LYS 61.A NZ GLU 58.A OE2 no hydrogen 3.553 N/A LEU 63.A N THR 60.A O no hydrogen 2.982 N/A PHE 66.A N LEU 63.A O no hydrogen 2.908 N/A THR 68.A N GLY 65.A O no hydrogen 3.071 N/A THR 68.A OG1 GLY 65.A O no hydrogen 2.737 N/A LEU 69.A N PHE 66.A O no hydrogen 3.200 N/A ASP 73.A N ASP 70.A OD2 no hydrogen 2.834 N/A GLN 74.A N ASP 70.A O no hydrogen 2.988 N/A GLN 74.A NE2 PHE 66.A O no hydrogen 2.903 N/A GLN 74.A NE2 LEU 69.A O no hydrogen 3.302 N/A ILE 75.A N HIS 71.A O no hydrogen 3.265 N/A ALA 76.A N GLU 72.A O no hydrogen 3.065 N/A LEU 77.A N ASP 73.A O no hydrogen 2.856 N/A LEU 78.A N GLN 74.A O no hydrogen 3.255 N/A LYS 79.A N ILE 75.A O no hydrogen 2.833 N/A LYS 79.A NZ GLU 225.A O no hydrogen 3.386 N/A LYS 79.A NZ ASP 228.A OD1 no hydrogen 3.105 N/A GLY 80.A N ALA 76.A O no hydrogen 2.768 N/A SER 81.A N LEU 78.A O no hydrogen 3.419 N/A SER 81.A OG LEU 77.A O no hydrogen 2.731 N/A ALA 82.A N LEU 78.A O no hydrogen 3.024 N/A ALA 85.A N SER 81.A O no hydrogen 2.859 N/A MET 86.A N ALA 82.A O no hydrogen 3.137 N/A PHE 87.A N VAL 83.A O no hydrogen 3.014 N/A LEU 88.A N GLU 84.A O no hydrogen 2.771 N/A ARG 89.A N ALA 85.A O no hydrogen 2.831 N/A ARG 89.A NH1 GLU 92.A OE1 no hydrogen 3.001 N/A SER 90.A N MET 86.A O no hydrogen 2.801 N/A SER 90.A OG MET 86.A O no hydrogen 2.969 N/A ALA 91.A N PHE 87.A O no hydrogen 2.880 N/A GLU 92.A N LEU 88.A O no hydrogen 2.911 N/A ILE 93.A N ARG 89.A O no hydrogen 3.042 N/A PHE 94.A N SER 90.A O no hydrogen 2.899 N/A ASN 95.A N ALA 91.A O no hydrogen 3.281 N/A ASN 95.A N GLU 92.A O no hydrogen 2.979 N/A ASN 95.A ND2 ALA 91.A O no hydrogen 2.728 N/A ASN 95.A ND2 TYR 127.A O no hydrogen 2.863 N/A LYS 96.A N ILE 93.A O no hydrogen 3.359 N/A HIS 102.A N PRO 99.A O no hydrogen 3.139 N/A LEU 105.A N GLY 101.A O no hydrogen 3.015 N/A LEU 106.A N HIS 102.A O no hydrogen 2.738 N/A GLU 107.A N SER 103.A O no hydrogen 3.002 N/A ALA 108.A N ASP 104.A O no hydrogen 3.102 N/A ARG 109.A N LEU 105.A O no hydrogen 2.753 N/A ARG 109.A NE ILE 31.A O no hydrogen 3.087 N/A ARG 109.A NE GLU 34.A O no hydrogen 3.210 N/A ILE 110.A N LEU 106.A O no hydrogen 2.927 N/A ARG 111.A N GLU 107.A O no hydrogen 2.778 N/A ARG 111.A NH2 GLU 107.A OE2 no hydrogen 2.541 N/A ASN 112.A N ALA 108.A O no hydrogen 2.987 N/A ASN 112.A ND2 ALA 108.A O no hydrogen 2.770 N/A SER 113.A N ILE 110.A O no hydrogen 3.121 N/A SER 113.A OG ILE 110.A O no hydrogen 2.524 N/A SER 116.A OG GLU 118.A OE2 no hydrogen 3.222 N/A TYR 119.A N SER 116.A O no hydrogen 3.122 N/A ILE 120.A N ASP 117.A O no hydrogen 3.310 N/A MET 123.A N TYR 119.A O no hydrogen 3.296 N/A PHE 124.A N ILE 120.A O no hydrogen 3.096 N/A SER 125.A N THR 121.A O no hydrogen 3.061 N/A SER 125.A OG THR 121.A O no hydrogen 2.917 N/A SER 125.A OG PRO 122.A O no hydrogen 2.949 N/A PHE 126.A N PRO 122.A O no hydrogen 3.150 N/A TYR 127.A N MET 123.A O no hydrogen 3.159 N/A LYS 128.A N PHE 124.A O no hydrogen 2.955 N/A LYS 128.A NZ GLU 107.A OE2 no hydrogen 2.747 N/A SER 129.A N SER 125.A O no hydrogen 2.906 N/A SER 129.A OG PHE 126.A O no hydrogen 2.688 N/A ILE 130.A N PHE 126.A O no hydrogen 3.058 N/A GLY 131.A N TYR 127.A O no hydrogen 3.156 N/A GLU 132.A N LYS 128.A O no hydrogen 2.883 N/A LEU 133.A N ILE 130.A O no hydrogen 3.277 N/A LYS 134.A N GLY 131.A O no hydrogen 2.908 N/A THR 136.A N GLU 139.A OE1 no hydrogen 3.098 N/A THR 136.A OG1 GLU 138.A OE1 no hydrogen 3.244 N/A GLU 139.A N THR 136.A O no hydrogen 3.076 N/A GLU 139.A N THR 136.A OG1 no hydrogen 3.380 N/A TYR 140.A N THR 136.A O no hydrogen 3.189 N/A ALA 141.A N GLN 137.A O no hydrogen 3.143 N/A LEU 142.A N GLU 138.A O no hydrogen 2.927 N/A LEU 143.A N GLU 139.A O no hydrogen 2.784 N/A THR 144.A N TYR 140.A O no hydrogen 3.035 N/A THR 144.A OG1 TYR 140.A O no hydrogen 2.535 N/A ALA 145.A N ALA 141.A O no hydrogen 3.130 N/A ILE 146.A N LEU 142.A O no hydrogen 2.804 N/A VAL 147.A N LEU 143.A O no hydrogen 2.909 N/A ILE 148.A N THR 144.A O no hydrogen 3.016 N/A LEU 149.A N ALA 145.A O no hydrogen 2.929 N/A SER 150.A OG ILE 146.A O no hydrogen 2.976 N/A SER 150.A OG VAL 147.A O no hydrogen 3.160 N/A ARG 153.A NH1 GLU 84.A OE1 no hydrogen 3.418 N/A ARG 153.A NH1 GLU 84.A OE2 no hydrogen 2.744 N/A ARG 153.A NH2 GLU 84.A OE1 no hydrogen 3.048 N/A ARG 153.A NH2 VAL 147.A O no hydrogen 2.908 N/A ILE 156.A N ARG 153.A O no hydrogen 3.445 N/A LYS 157.A N ASP 73.A OD1 no hydrogen 2.948 N/A LYS 157.A NZ ASP 70.A OD1 no hydrogen 2.932 N/A LYS 157.A NZ ASP 70.A OD2 no hydrogen 3.283 N/A ASP 158.A N ASP 73.A OD2 no hydrogen 3.119 N/A ARG 159.A NE PRO 151.A O no hydrogen 3.064 N/A GLU 163.A N ARG 159.A O no hydrogen 2.847 N/A LYS 164.A N GLU 160.A O no hydrogen 2.970 N/A LEU 165.A N VAL 162.A O no hydrogen 3.051 N/A GLN 166.A N VAL 162.A O no hydrogen 3.003 N/A GLN 166.A NE2 ILE 146.A O no hydrogen 2.889 N/A GLU 167.A N GLU 163.A O no hydrogen 3.032 N/A LEU 169.A N GLN 166.A O no hydrogen 3.127 N/A LEU 170.A N GLN 166.A O no hydrogen 3.020 N/A ASP 171.A N GLU 167.A O no hydrogen 2.891 N/A VAL 172.A N PRO 168.A O no hydrogen 3.046 N/A LEU 173.A N LEU 169.A O no hydrogen 2.904 N/A GLN 174.A N LEU 170.A O no hydrogen 2.930 N/A LYS 175.A N ASP 171.A O no hydrogen 3.072 N/A LYS 175.A NZ GLU 2.A O no hydrogen 2.812 N/A LYS 175.A NZ GLN 7.A OE1 no hydrogen 3.065 N/A LEU 176.A N VAL 172.A O no hydrogen 2.987 N/A CYS 177.A N LEU 173.A O no hydrogen 3.018 N/A CYS 177.A SG GLU 139.A OE2 no hydrogen 3.604 N/A CYS 177.A SG LEU 173.A O no hydrogen 3.138 N/A LYS 178.A N GLN 174.A O no hydrogen 3.121 N/A LYS 178.A N LYS 175.A O no hydrogen 3.109 N/A LYS 178.A NZ GLN 174.A OE1 no hydrogen 3.173 N/A ILE 179.A N LYS 175.A O no hydrogen 2.838 N/A HIS 180.A N LEU 176.A O no hydrogen 2.925 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.856 N/A ASN 184.A N GLN 181.A O no hydrogen 3.205 N/A GLN 186.A N ASN 184.A OD1 no hydrogen 3.315 N/A HIS 187.A N ASN 184.A O no hydrogen 3.354 N/A HIS 187.A NE2 GLU 139.A OE1 no hydrogen 3.172 N/A HIS 187.A NE2 GLU 139.A OE2 no hydrogen 3.059 N/A CYS 190.A N GLN 186.A O no hydrogen 2.947 N/A CYS 190.A SG GLN 186.A O no hydrogen 3.401 N/A LEU 191.A N HIS 187.A O no hydrogen 2.990 N/A LEU 192.A N PHE 188.A O no hydrogen 3.098 N/A GLY 193.A N ALA 189.A O no hydrogen 2.928 N/A ARG 194.A N CYS 190.A O no hydrogen 3.164 N/A ARG 194.A NH1 GLU 197.A OE1 no hydrogen 2.214 N/A LEU 195.A N LEU 191.A O no hydrogen 3.359 N/A THR 196.A N GLY 193.A O no hydrogen 3.305 N/A THR 196.A OG1 GLY 193.A O no hydrogen 2.591 N/A GLU 197.A N GLY 193.A O no hydrogen 3.463 N/A LEU 198.A N ARG 194.A O no hydrogen 2.849 N/A ARG 199.A NH1 ASP 152.A O no hydrogen 3.081 N/A THR 200.A N GLU 197.A O no hydrogen 3.033 N/A THR 200.A OG1 GLU 197.A O no hydrogen 2.497 N/A PHE 201.A N LEU 198.A O no hydrogen 3.201 N/A ASN 202.A N ARG 199.A O no hydrogen 3.187 N/A ASN 202.A ND2 GLU 84.A OE2 no hydrogen 2.452 N/A ASN 202.A ND2 ARG 199.A O no hydrogen 3.532 N/A HIS 204.A ND1 GLU 207.A OE1 no hydrogen 2.836 N/A HIS 205.A NE2 ASP 228.A OD2 no hydrogen 3.094 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.953 N/A MET 208.A N HIS 204.A O no hydrogen 2.987 N/A MET 208.A N HIS 205.A O no hydrogen 3.188 N/A LEU 209.A N HIS 205.A O no hydrogen 3.423 N/A MET 210.A N ALA 206.A O no hydrogen 2.786 N/A SER 211.A N GLU 207.A O no hydrogen 2.802 N/A SER 211.A OG GLU 207.A O no hydrogen 2.595 N/A TRP 212.A N LEU 209.A O no hydrogen 3.161 N/A TRP 212.A NE1 ALA 38.A O no hydrogen 2.962 N/A ARG 213.A N GLY 114.A O no hydrogen 2.840 N/A VAL 214.A N TRP 212.A O no hydrogen 2.801 N/A HIS 217.A NE2 TRP 212.A O no hydrogen 2.688 N/A PHE 219.A N GLN 230.A OE1 no hydrogen 3.384 N/A THR 220.A OG1 THR 50.A OG1 no hydrogen 2.920 N/A LEU 223.A N THR 220.A OG1 no hydrogen 3.118 N/A CYS 224.A N THR 220.A O no hydrogen 3.011 N/A CYS 224.A SG THR 220.A O no hydrogen 3.526 N/A CYS 224.A SG VAL 229.A O no hydrogen 3.663 N/A CYS 224.A SG GLN 230.A OE1 no hydrogen 3.536 N/A GLU 225.A N PRO 221.A O no hydrogen 3.261 N/A ILE 226.A N LEU 222.A O no hydrogen 3.157 N/A TRP 227.A N LEU 223.A O no hydrogen 2.734 N/A