Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7bk3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N PHE 1.A O no hydrogen 3.153 N/A ASP 6.A N VAL 23.A O no hydrogen 2.858 N/A VAL 8.A N LEU 21.A O no hydrogen 2.951 N/A GLN 9.A NE2 THR 10.A O no hydrogen 3.199 N/A THR 10.A OG1 GLU 18.A OE2 no hydrogen 3.453 N/A LEU 11.A N VAL 19.A O no hydrogen 2.731 N/A GLY 14.A N GLY 17.A O no hydrogen 2.694 N/A ALA 15.A N ASP 138.A OD2 no hydrogen 3.357 N/A VAL 19.A N GLY 12.A O no hydrogen 2.750 N/A GLN 20.A N VAL 33.A O no hydrogen 2.818 N/A GLN 20.A NE2 THR 10.A OG1 no hydrogen 2.415 N/A LEU 21.A N GLN 9.A O no hydrogen 2.740 N/A ALA 22.A N VAL 31.A O no hydrogen 2.834 N/A VAL 23.A N ASP 6.A O no hydrogen 2.844 N/A ASN 24.A N GLU 29.A O no hydrogen 2.875 N/A ASN 24.A ND2 ASP 4.A OD1 no hydrogen 2.732 N/A ARG 25.A N ASP 4.A O no hydrogen 2.902 N/A VAL 26.A N ASN 24.A OD1 no hydrogen 3.313 N/A THR 27.A N ASN 24.A OD1 no hydrogen 3.038 N/A THR 27.A OG1 ASN 24.A OD1 no hydrogen 3.276 N/A GLU 28.A N ASN 24.A O no hydrogen 2.651 N/A GLU 29.A N THR 27.A OG1 no hydrogen 3.032 N/A VAL 31.A N ALA 22.A O no hydrogen 2.757 N/A ALA 32.A N MET 74.A O no hydrogen 2.977 N/A VAL 33.A N GLN 20.A O no hydrogen 2.860 N/A LYS 34.A N LEU 72.A O no hydrogen 2.701 N/A LYS 34.A NZ TYR 16.A O no hydrogen 2.938 N/A LYS 34.A NZ GLU 45.A OE1 no hydrogen 3.063 N/A LYS 34.A NZ GLU 45.A OE2 no hydrogen 3.272 N/A ILE 35.A N GLU 18.A O no hydrogen 2.935 N/A VAL 36.A N GLN 70.A O no hydrogen 2.440 N/A LYS 43.A N PRO 39.A O no hydrogen 3.337 N/A LYS 44.A N GLU 40.A O no hydrogen 3.215 N/A LYS 44.A NZ THR 143.A OG1 no hydrogen 2.555 N/A GLU 45.A N ASN 41.A O no hydrogen 2.959 N/A ILE 46.A N ILE 42.A O no hydrogen 2.817 N/A CYS 47.A N LYS 43.A O no hydrogen 3.131 N/A ILE 48.A N LYS 44.A O no hydrogen 3.024 N/A LEU 49.A N GLU 45.A O no hydrogen 2.871 N/A LYS 50.A N ILE 46.A O no hydrogen 2.954 N/A MET 51.A N ILE 48.A O no hydrogen 2.861 N/A LEU 52.A N LEU 49.A O no hydrogen 3.216 N/A ASN 53.A N TYR 110.A OH no hydrogen 2.723 N/A ASN 56.A N HIS 54.A ND1 no hydrogen 3.045 N/A ASN 56.A ND2 LEU 134.A O no hydrogen 2.912 N/A VAL 57.A N HIS 54.A O no hydrogen 3.259 N/A ILE 58.A N ILE 136.A O no hydrogen 3.011 N/A LYS 59.A N GLU 75.A OE2 no hydrogen 2.957 N/A TYR 61.A N PHE 73.A O no hydrogen 2.725 N/A GLY 62.A N PHE 73.A O no hydrogen 3.478 N/A ARG 64.A N TYR 71.A O no hydrogen 2.942 N/A GLU 66.A N ILE 69.A O no hydrogen 2.628 N/A ILE 69.A N GLU 66.A O no hydrogen 3.091 N/A GLN 70.A N VAL 36.A O no hydrogen 2.748 N/A TYR 71.A N ARG 64.A O no hydrogen 2.734 N/A LEU 72.A N LYS 34.A O no hydrogen 2.821 N/A PHE 73.A N GLY 62.A O no hydrogen 2.731 N/A MET 74.A N ALA 32.A O no hydrogen 2.793 N/A GLU 75.A N LYS 59.A O no hydrogen 2.892 N/A GLY 79.A N LEU 128.A O no hydrogen 2.860 N/A GLY 80.A N ALA 77.A O no hydrogen 3.059 N/A LEU 82.A N LEU 126.A O no hydrogen 2.827 N/A PHE 83.A N PRO 123.A O no hydrogen 3.365 N/A ASP 84.A N SER 81.A O no hydrogen 3.137 N/A ARG 85.A N LEU 82.A O no hydrogen 2.776 N/A ARG 85.A NH1 GLY 79.A O no hydrogen 3.056 N/A ARG 85.A NH1 ASP 132.A OD1 no hydrogen 2.886 N/A ARG 85.A NH2 ASP 132.A OD1 no hydrogen 3.212 N/A ARG 85.A NH2 ASP 132.A OD2 no hydrogen 3.091 N/A ILE 86.A N PHE 83.A O no hydrogen 3.391 N/A GLU 87.A N GLY 91.A O no hydrogen 2.875 N/A ASP 89.A N GLY 194.A O no hydrogen 2.756 N/A ILE 90.A N GLU 87.A O no hydrogen 2.907 N/A GLY 91.A N GLU 87.A O no hydrogen 2.787 N/A ALA 97.A N PRO 93.A O no hydrogen 3.071 N/A GLN 98.A N GLU 94.A O no hydrogen 2.831 N/A GLN 98.A NE2 TRP 254.A O no hydrogen 2.836 N/A GLN 98.A NE2 LYS 257.A O no hydrogen 2.734 N/A ARG 99.A N PRO 95.A O no hydrogen 3.068 N/A ARG 99.A NH1 ARG 131.A O no hydrogen 3.349 N/A ARG 99.A NH1 ASP 132.A O no hydrogen 3.275 N/A ARG 99.A NH2 ASP 132.A O no hydrogen 2.836 N/A PHE 100.A N ASP 96.A O no hydrogen 2.998 N/A PHE 101.A N ALA 97.A O no hydrogen 2.830 N/A HIS 102.A N GLN 98.A O no hydrogen 2.851 N/A HIS 102.A NE2 TYR 255.A O no hydrogen 2.774 N/A GLN 103.A N ARG 99.A O no hydrogen 2.999 N/A LEU 104.A N PHE 100.A O no hydrogen 2.769 N/A MET 105.A N PHE 101.A O no hydrogen 2.868 N/A ALA 106.A N HIS 102.A O no hydrogen 3.044 N/A GLY 107.A N GLN 103.A O no hydrogen 3.018 N/A VAL 108.A N LEU 104.A O no hydrogen 2.875 N/A VAL 109.A N MET 105.A O no hydrogen 2.762 N/A TYR 110.A N ALA 106.A O no hydrogen 3.007 N/A LEU 111.A N GLY 107.A O no hydrogen 2.969 N/A HIS 112.A N VAL 108.A O no hydrogen 2.845 N/A HIS 112.A NE2 ASP 180.A OD2 no hydrogen 2.827 N/A GLY 113.A N VAL 109.A O no hydrogen 2.916 N/A ILE 114.A N TYR 110.A O no hydrogen 3.116 N/A ILE 114.A N LEU 111.A O no hydrogen 3.048 N/A GLY 115.A N HIS 112.A O no hydrogen 2.980 N/A ILE 116.A N LEU 111.A O no hydrogen 2.916 N/A THR 117.A N THR 143.A O no hydrogen 2.981 N/A THR 117.A OG1 ASP 180.A OD2 no hydrogen 2.687 N/A HIS 118.A N ASP 180.A OD2 no hydrogen 3.254 N/A HIS 118.A NE2 ALA 137.A O no hydrogen 2.833 N/A ARG 119.A N ASP 180.A OD1 no hydrogen 3.082 N/A ARG 119.A NE LEU 141.A O no hydrogen 2.650 N/A ARG 119.A NH2 LEU 141.A O no hydrogen 2.935 N/A ASP 120.A N HIS 118.A ND1 no hydrogen 2.911 N/A LYS 122.A NZ THR 160.A OG1 no hydrogen 2.964 N/A ASN 125.A N LYS 122.A O no hydrogen 2.984 N/A ASN 125.A ND2 ASP 120.A O no hydrogen 2.830 N/A LEU 126.A N PRO 123.A O no hydrogen 3.200 N/A LEU 127.A N LYS 135.A O no hydrogen 2.701 N/A LEU 128.A N GLY 80.A O no hydrogen 2.932 N/A ASP 129.A N ASN 133.A O no hydrogen 3.052 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.623 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.863 N/A ASP 132.A N ASP 129.A O no hydrogen 2.854 N/A ASN 133.A N ASP 129.A OD1 no hydrogen 2.755 N/A LEU 134.A N GLN 103.A OE1 no hydrogen 2.741 N/A LYS 135.A N LEU 127.A O no hydrogen 2.727 N/A LYS 135.A NZ GLU 55.A O no hydrogen 2.693 N/A ILE 136.A N ASN 56.A O no hydrogen 2.841 N/A ALA 137.A N ASN 125.A O no hydrogen 2.840 N/A TYR 139.A OH ILE 136.A O no hydrogen 2.827 N/A SER 140.A N ASP 138.A OD1 no hydrogen 3.164 N/A SER 140.A OG ASP 138.A OD1 no hydrogen 2.700 N/A SER 140.A OG ASP 138.A OD2 no hydrogen 3.505 N/A ALA 142.A N TYR 139.A O no hydrogen 3.181 N/A THR 143.A N THR 117.A O no hydrogen 3.120 N/A PHE 145.A N GLY 115.A O no hydrogen 2.851 N/A ARG 146.A N GLY 115.A O no hydrogen 3.419 N/A ARG 146.A NH1 HIS 112.A O no hydrogen 2.819 N/A ARG 146.A NH2 HIS 112.A O no hydrogen 3.354 N/A TYR 147.A N ARG 150.A O no hydrogen 3.083 N/A ARG 150.A N TYR 147.A O no hydrogen 2.883 N/A ARG 152.A N PHE 145.A O no hydrogen 2.733 N/A LEU 154.A N PHE 174.A O no hydrogen 2.751 N/A THR 160.A OG1 ASP 120.A OD1 no hydrogen 2.633 N/A TYR 163.A N THR 160.A O no hydrogen 2.758 N/A VAL 164.A N LEU 161.A O no hydrogen 3.233 N/A GLU 167.A N GLU 167.A OE2 no hydrogen 2.775 N/A LEU 168.A N ALA 165.A O no hydrogen 3.230 N/A LEU 169.A N PRO 166.A O no hydrogen 3.021 N/A LYS 170.A N GLU 167.A O no hydrogen 3.090 N/A LYS 170.A NZ GLU 238.A OE2 no hydrogen 3.095 N/A ARG 171.A N GLU 167.A O no hydrogen 2.755 N/A PHE 174.A N LEU 154.A O no hydrogen 3.001 N/A HIS 175.A ND1 GLU 151.A OE1 no hydrogen 2.570 N/A VAL 179.A N ALA 176.A O no hydrogen 3.189 N/A ASP 180.A N ALA 176.A O no hydrogen 3.367 N/A VAL 181.A N GLU 177.A O no hydrogen 2.993 N/A TRP 182.A N PRO 178.A O no hydrogen 2.983 N/A SER 183.A N VAL 179.A O no hydrogen 3.171 N/A SER 183.A OG VAL 179.A O no hydrogen 3.530 N/A SER 183.A OG ASP 180.A O no hydrogen 2.977 N/A CYS 184.A N ASP 180.A O no hydrogen 3.145 N/A CYS 184.A SG ASP 180.A O no hydrogen 3.298 N/A GLY 185.A N VAL 181.A O no hydrogen 3.055 N/A ILE 186.A N TRP 182.A O no hydrogen 3.043 N/A VAL 187.A N SER 183.A O no hydrogen 2.865 N/A LEU 188.A N CYS 184.A O no hydrogen 2.938 N/A THR 189.A N GLY 185.A O no hydrogen 2.984 N/A THR 189.A OG1 GLY 185.A O no hydrogen 2.890 N/A ALA 190.A N ILE 186.A O no hydrogen 2.943 N/A MET 191.A N VAL 187.A O no hydrogen 2.933 N/A LEU 192.A N LEU 188.A O no hydrogen 3.016 N/A LEU 192.A N THR 189.A O no hydrogen 3.103 N/A ALA 193.A N THR 189.A O no hydrogen 2.864 N/A GLY 194.A N ALA 190.A O no hydrogen 2.751 N/A SER 202.A OG SER 204.A OG no hydrogen 3.084 N/A SER 204.A OG SER 202.A OG no hydrogen 3.084 N/A CYS 205.A N SER 202.A O no hydrogen 2.864 N/A CYS 205.A SG GLN 200.A O no hydrogen 3.395 N/A CYS 205.A SG GLU 207.A OE1 no hydrogen 3.834 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.811 N/A TYR 208.A N CYS 205.A O no hydrogen 3.112 N/A TYR 208.A OH GLU 238.A OE2 no hydrogen 3.121 N/A SER 209.A N CYS 205.A O no hydrogen 3.130 N/A SER 209.A OG CYS 205.A O no hydrogen 3.351 N/A ASP 210.A N GLN 206.A O no hydrogen 2.891 N/A TRP 211.A N GLU 207.A O no hydrogen 3.214 N/A TRP 211.A NE1 LEU 236.A O no hydrogen 3.006 N/A LYS 212.A N TYR 208.A O no hydrogen 3.005 N/A LYS 212.A NZ ASP 203.A OD1 no hydrogen 2.074 N/A LYS 212.A NZ GLU 238.A OE2 no hydrogen 3.366 N/A GLU 213.A N SER 209.A O no hydrogen 2.867 N/A LYS 214.A N TRP 211.A O no hydrogen 2.818 N/A LYS 215.A N ASP 210.A O no hydrogen 3.074 N/A THR 216.A N LYS 214.A O no hydrogen 2.936 N/A LEU 218.A N LYS 215.A O no hydrogen 3.250 N/A LYS 222.A N LEU 218.A O no hydrogen 3.034 N/A LYS 222.A NZ TYR 217.A O no hydrogen 3.404 N/A LYS 223.A N PRO 220.A O no hydrogen 3.033 N/A LYS 223.A NZ ASP 89.A O no hydrogen 3.197 N/A LYS 223.A NZ ASP 89.A OD1 no hydrogen 2.869 N/A LYS 223.A NZ ALA 193.A O no hydrogen 2.934 N/A LYS 223.A NZ GLU 195.A OE2 no hydrogen 2.695 N/A ILE 224.A N TRP 221.A O no hydrogen 2.921 N/A ALA 227.A N ASP 225.A OD2 no hydrogen 3.272 N/A LEU 229.A N ASP 225.A O no hydrogen 3.007 N/A ALA 230.A N SER 226.A O no hydrogen 2.925 N/A LEU 231.A N ALA 227.A O no hydrogen 3.271 N/A LEU 232.A N PRO 228.A O no hydrogen 2.927 N/A HIS 233.A N LEU 229.A O no hydrogen 2.857 N/A LYS 234.A N LEU 231.A O no hydrogen 2.815 N/A LYS 234.A NZ ASP 252.A OD1 no hydrogen 3.030 N/A ILE 235.A N LEU 231.A O no hydrogen 2.989 N/A LEU 236.A N LEU 232.A O no hydrogen 2.915 N/A SER 241.A N ASN 239.A OD1 no hydrogen 2.990 N/A SER 241.A OG ASN 239.A OD1 no hydrogen 3.187 N/A ALA 242.A N ASN 239.A O no hydrogen 2.978 N/A ARG 243.A N ASN 239.A O no hydrogen 3.118 N/A ARG 243.A N PRO 240.A O no hydrogen 3.326 N/A ARG 243.A NE VAL 237.A O no hydrogen 2.944 N/A ARG 243.A NH1 GLU 167.A OE1 no hydrogen 3.526 N/A ARG 243.A NH1 GLU 167.A OE2 no hydrogen 2.797 N/A ARG 243.A NH1 VAL 237.A O no hydrogen 2.957 N/A ARG 243.A NH1 GLU 238.A O no hydrogen 3.058 N/A ARG 243.A NH2 GLU 167.A OE1 no hydrogen 2.709 N/A ARG 243.A NH2 GLU 167.A OE2 no hydrogen 3.439 N/A ARG 243.A NH2 PRO 178.A O no hydrogen 2.980 N/A ILE 244.A N LYS 234.A O no hydrogen 3.127 N/A ILE 249.A N THR 245.A O no hydrogen 2.904 N/A LYS 250.A N ILE 246.A O no hydrogen 2.922 N/A LYS 251.A N ASP 248.A O no hydrogen 2.890 N/A LYS 251.A NZ ASP 248.A OD1 no hydrogen 3.338 N/A ASP 252.A N ILE 249.A O no hydrogen 2.889 N/A TRP 254.A NE1 GLU 94.A OE1 no hydrogen 2.930 N/A TYR 255.A N ASP 252.A OD2 no hydrogen 2.755 N/A ASN 256.A N ASP 252.A O no hydrogen 3.122 N/A ASN 256.A N ARG 253.A O no hydrogen 3.193 N/A ASN 256.A ND2 LYS 250.A O no hydrogen 2.866 N/A ASN 256.A ND2 ASP 252.A O no hydrogen 2.903 N/A LYS 257.A N TRP 254.A O no hydrogen 3.012 N/A