Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r9k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A NE GLU 108.A OE1 no hydrogen 3.231 N/A ARG 5.A NH1 TRP 222.A O no hydrogen 2.995 N/A ARG 5.A NH1 ILE 225.A O no hydrogen 2.822 N/A ARG 5.A NH2 GLU 108.A OE1 no hydrogen 3.157 N/A ARG 5.A NH2 GLU 108.A OE2 no hydrogen 2.869 N/A ARG 5.A NH2 TRP 222.A O no hydrogen 3.334 N/A LYS 6.A N SER 2.A O no hydrogen 3.076 N/A LYS 7.A N HIS 3.A O no hydrogen 3.093 N/A LYS 7.A NZ ASP 168.A OD2 no hydrogen 2.931 N/A LEU 8.A N ARG 5.A O no hydrogen 3.390 N/A LYS 9.A N GLU 169.A O no hydrogen 2.737 N/A LYS 9.A NZ GLU 169.A OE2 no hydrogen 3.250 N/A ALA 10.A N GLU 169.A O no hydrogen 3.182 N/A VAL 11.A N THR 111.A O no hydrogen 2.883 N/A LEU 12.A N VAL 171.A O no hydrogen 2.751 N/A PHE 13.A N MET 113.A O no hydrogen 2.845 N/A ASP 14.A N ILE 173.A O no hydrogen 3.013 N/A GLY 17.A N PHE 20.A O no hydrogen 2.848 N/A VAL 18.A N MET 15.A O no hydrogen 3.191 N/A LEU 19.A N MET 15.A O no hydrogen 2.780 N/A PHE 20.A N MET 15.A O no hydrogen 3.101 N/A ASN 21.A N GLU 93.A O no hydrogen 2.812 N/A SER 22.A OG ASP 16.A OD1 no hydrogen 2.618 N/A SER 22.A OG PHE 20.A O no hydrogen 3.538 N/A TYR 25.A OH PRO 90.A O no hydrogen 2.570 N/A HIS 26.A N SER 22.A O no hydrogen 2.932 N/A HIS 26.A NE2 ASP 16.A OD1 no hydrogen 2.856 N/A SER 27.A N MET 23.A O no hydrogen 2.871 N/A SER 27.A OG MET 23.A O no hydrogen 2.934 N/A SER 27.A OG ARG 43.A O no hydrogen 3.539 N/A GLU 28.A N PRO 24.A O no hydrogen 3.024 N/A ALA 29.A N TYR 25.A O no hydrogen 2.765 N/A TRP 30.A N HIS 26.A O no hydrogen 2.910 N/A HIS 31.A N SER 27.A O no hydrogen 3.102 N/A HIS 31.A ND1 LEU 41.A O no hydrogen 2.858 N/A GLN 32.A N GLU 28.A O no hydrogen 2.990 N/A GLN 32.A NE2 GLU 28.A OE2 no hydrogen 3.362 N/A VAL 33.A N ALA 29.A O no hydrogen 3.004 N/A MET 34.A N TRP 30.A O no hydrogen 3.097 N/A LYS 35.A N HIS 31.A O no hydrogen 3.079 N/A THR 36.A N GLN 32.A O no hydrogen 3.015 N/A THR 36.A OG1 GLN 32.A O no hydrogen 3.535 N/A HIS 37.A N VAL 33.A O no hydrogen 3.038 N/A GLY 38.A N LYS 35.A O no hydrogen 3.131 N/A LEU 39.A N MET 34.A O no hydrogen 2.732 N/A SER 42.A N GLU 45.A OE2 no hydrogen 3.068 N/A SER 42.A OG GLU 45.A OE2 no hydrogen 3.227 N/A ARG 43.A NE GLU 28.A OE1 no hydrogen 2.735 N/A ARG 43.A NH2 GLU 28.A OE1 no hydrogen 3.376 N/A ARG 43.A NH2 GLU 28.A OE2 no hydrogen 3.036 N/A GLU 45.A N SER 42.A OG no hydrogen 3.064 N/A ALA 46.A N SER 42.A O no hydrogen 2.886 N/A TYR 47.A N ARG 43.A O no hydrogen 2.911 N/A MET 48.A N GLU 44.A O no hydrogen 3.197 N/A HIS 49.A N GLU 45.A O no hydrogen 3.042 N/A HIS 49.A N ALA 46.A O no hydrogen 3.148 N/A ASP 50.A N TYR 47.A O no hydrogen 2.933 N/A ARG 52.A N HIS 49.A O no hydrogen 3.156 N/A ARG 52.A NE HIS 49.A ND1 no hydrogen 2.943 N/A SER 56.A N THR 53.A OG1 no hydrogen 3.064 N/A THR 57.A N THR 53.A O no hydrogen 2.901 N/A THR 57.A OG1 THR 53.A O no hydrogen 2.986 N/A ILE 58.A N GLY 54.A O no hydrogen 2.965 N/A ASN 59.A N ALA 55.A O no hydrogen 3.098 N/A ASN 59.A ND2 GLU 69.A OE1 no hydrogen 3.072 N/A ILE 60.A N SER 56.A O no hydrogen 2.973 N/A VAL 61.A N THR 57.A O no hydrogen 3.001 N/A PHE 62.A N ILE 58.A O no hydrogen 2.998 N/A GLN 63.A N ASN 59.A O no hydrogen 2.983 N/A GLN 63.A NE2.A GLU 69.A OE2 no hydrogen 2.871 N/A GLN 63.A NE2.B GLU 69.A OE2 no hydrogen 3.131 N/A ARG 64.A N ILE 60.A O no hydrogen 2.921 N/A GLU 65.A N VAL 61.A O no hydrogen 2.878 N/A LEU 66.A N PHE 62.A O no hydrogen 2.814 N/A GLY 67.A N GLN 63.A O no hydrogen 3.055 N/A ALA 70.A N ASN 59.A OD1 no hydrogen 2.963 N/A THR 71.A N GLU 74.A OE1 no hydrogen 2.828 N/A GLU 74.A N THR 71.A OG1 no hydrogen 3.035 N/A ILE 75.A N THR 71.A O no hydrogen 2.972 N/A GLU 76.A N GLN 72.A O no hydrogen 2.993 N/A SER 77.A N GLU 73.A O no hydrogen 2.964 N/A SER 77.A OG.A GLU 73.A O no hydrogen 2.797 N/A SER 77.A OG.A GLU 73.A OE2 no hydrogen 2.891 N/A SER 77.A OG.B GLU 73.A O no hydrogen 3.194 N/A SER 77.A OG.B GLU 73.A OE2 no hydrogen 3.253 N/A SER 77.A OG.B GLU 74.A O no hydrogen 3.119 N/A ILE 78.A N GLU 74.A O no hydrogen 2.957 N/A TYR 79.A N ILE 75.A O no hydrogen 2.918 N/A HIS 80.A N GLU 76.A O no hydrogen 2.966 N/A GLU 81.A N SER 77.A O no hydrogen 3.138 N/A LYS 82.A N ILE 78.A O no hydrogen 2.758 N/A LYS 82.A NZ HIS 26.A ND1 no hydrogen 2.777 N/A SER 83.A N TYR 79.A O no hydrogen 2.915 N/A SER 83.A OG TYR 79.A O no hydrogen 3.032 N/A ILE 84.A N HIS 80.A O no hydrogen 2.986 N/A LEU 85.A N GLU 81.A O no hydrogen 3.003 N/A PHE 86.A N LYS 82.A O no hydrogen 2.920 N/A ASN 87.A N SER 83.A O no hydrogen 2.951 N/A ASN 87.A ND2 SER 83.A O no hydrogen 3.115 N/A ASN 87.A ND2 GLN 120.A OE1 no hydrogen 3.437 N/A SER 88.A N LEU 85.A O no hydrogen 3.038 N/A SER 88.A OG LEU 85.A O no hydrogen 2.664 N/A TYR 89.A N PHE 86.A O no hydrogen 3.425 N/A ARG 94.A NH2 ASN 130.A OD1 no hydrogen 3.002 N/A MET 95.A N LEU 19.A O no hydrogen 2.913 N/A ALA 98.A N MET 95.A O no hydrogen 3.083 N/A LEU 101.A N GLY 97.A O no hydrogen 2.900 N/A LEU 102.A N ALA 98.A O no hydrogen 2.991 N/A GLN 103.A N TRP 99.A O no hydrogen 3.063 N/A LYS 104.A N GLU 100.A O no hydrogen 3.237 N/A LYS 104.A NZ CYS 219.A O no hydrogen 2.905 N/A VAL 105.A N LEU 101.A O no hydrogen 2.891 N/A LYS 106.A N LEU 102.A O no hydrogen 2.888 N/A LYS 106.A NZ GLY 133.A O no hydrogen 3.099 N/A SER 107.A N GLN 103.A O no hydrogen 2.960 N/A SER 107.A OG.A GLN 103.A O no hydrogen 3.117 N/A SER 107.A OG.B GLN 103.A O no hydrogen 3.272 N/A SER 107.A OG.B LYS 104.A O no hydrogen 2.858 N/A GLU 108.A N LYS 104.A O no hydrogen 3.082 N/A GLU 108.A N VAL 105.A O no hydrogen 3.298 N/A GLY 109.A N LYS 106.A O no hydrogen 2.979 N/A LEU 110.A N VAL 105.A O no hydrogen 3.098 N/A THR 111.A N LYS 9.A O no hydrogen 2.875 N/A MET 113.A N VAL 11.A O no hydrogen 2.904 N/A VAL 115.A N PHE 13.A O no hydrogen 2.863 N/A THR 116.A N VAL 141.A O no hydrogen 2.925 N/A SER 118.A N THR 116.A OG1 no hydrogen 2.979 N/A GLN 120.A N SER 118.A OG no hydrogen 2.962 N/A GLN 120.A NE2 SER 83.A OG no hydrogen 2.848 N/A SER 122.A OG ASN 87.A OD1 no hydrogen 2.758 N/A LEU 124.A N GLN 120.A O no hydrogen 3.074 N/A GLU 125.A N LEU 121.A O no hydrogen 2.871 N/A ARG 126.A N LEU 123.A O no hydrogen 3.018 N/A ARG 126.A NH1 ALA 92.A O no hydrogen 2.910 N/A ARG 126.A NH2 ALA 92.A O no hydrogen 2.953 N/A LEU 127.A N LEU 124.A O no hydrogen 3.359 N/A ASN 130.A N ARG 126.A O no hydrogen 2.951 N/A ASN 130.A ND2 ARG 126.A O no hydrogen 2.824 N/A PHE 131.A N LEU 127.A O no hydrogen 2.831 N/A GLY 133.A N GLU 128.A OE2 no hydrogen 2.953 N/A MET 134.A N PHE 131.A O no hydrogen 3.246 N/A GLU 138.A N GLU 138.A OE1 no hydrogen 2.900 N/A LEU 139.A N HIS 136.A O no hydrogen 2.838 N/A VAL 141.A N VAL 114.A O no hydrogen 2.878 N/A THR 142.A N ASP 145.A OD2 no hydrogen 2.835 N/A THR 142.A OG1 ASP 145.A OD2 no hydrogen 3.560 N/A ALA 143.A N SER 118.A O no hydrogen 3.020 N/A PHE 144.A N THR 142.A OG1 no hydrogen 3.201 N/A ASP 145.A N THR 142.A O no hydrogen 3.097 N/A VAL 146.A N ALA 143.A O no hydrogen 3.508 N/A LYS 147.A N GLU 154.A OE2 no hydrogen 2.844 N/A TYR 148.A N GLU 154.A OE1 no hydrogen 2.878 N/A GLY 149.A N GLU 154.A OE1 no hydrogen 2.812 N/A LYS 150.A NZ ASP 14.A OD1 no hydrogen 2.953 N/A LYS 150.A NZ VAL 115.A O no hydrogen 2.880 N/A LYS 150.A NZ GLU 174.A OE2 no hydrogen 2.696 N/A ASN 152.A N GLY 149.A O no hydrogen 3.110 N/A GLU 154.A N ASN 152.A OD1 no hydrogen 2.927 N/A TYR 156.A OH GLU 174.A OE2 no hydrogen 2.586 N/A LEU 157.A N PRO 153.A O no hydrogen 2.902 N/A MET 158.A N GLU 154.A O no hydrogen 2.855 N/A ALA 159.A N PRO 155.A O no hydrogen 2.992 N/A LEU 160.A N TYR 156.A O no hydrogen 3.020 N/A LYS 161.A N LEU 157.A O no hydrogen 3.121 N/A LYS 162.A N MET 158.A O no hydrogen 2.910 N/A LYS 162.A NZ.B MET 140.A O no hydrogen 2.828 N/A LYS 162.A NZ.B ASP 145.A OD1 no hydrogen 3.299 N/A LYS 162.A NZ.B ASP 145.A OD2 no hydrogen 3.486 N/A GLY 163.A N ALA 159.A O no hydrogen 2.974 N/A GLY 164.A N LYS 161.A O no hydrogen 3.205 N/A LEU 165.A N LEU 160.A O no hydrogen 2.762 N/A LYS 166.A N GLU 169.A OE1 no hydrogen 2.769 N/A LYS 166.A NZ ASP 168.A OD1 no hydrogen 3.393 N/A GLU 169.A N LYS 166.A O no hydrogen 3.014 N/A ALA 170.A N ALA 167.A O no hydrogen 3.450 N/A VAL 171.A N ALA 10.A O no hydrogen 3.170 N/A VAL 172.A N PHE 189.A O no hydrogen 2.918 N/A ILE 173.A N LEU 12.A O no hydrogen 2.790 N/A GLU 174.A N ILE 191.A O no hydrogen 2.991 N/A ASN 175.A ND2 ASP 14.A OD2 no hydrogen 3.131 N/A ASN 175.A ND2 ASP 50.A OD2 no hydrogen 3.174 N/A VAL 180.A N ALA 176.A O no hydrogen 2.886 N/A GLU 181.A N PRO 177.A O no hydrogen 2.975 N/A ALA 182.A N LEU 178.A O no hydrogen 3.092 N/A GLY 183.A N GLY 179.A O no hydrogen 3.071 N/A HIS 184.A N VAL 180.A O no hydrogen 2.866 N/A LYS 185.A N GLU 181.A O no hydrogen 2.873 N/A LYS 185.A NZ GLU 181.A OE2 no hydrogen 2.790 N/A ALA 186.A N ALA 182.A O no hydrogen 3.005 N/A GLY 187.A N HIS 184.A O no hydrogen 2.986 N/A ILE 188.A N GLY 183.A O no hydrogen 3.102 N/A THR 190.A N ASP 209.A OD2 no hydrogen 2.854 N/A THR 190.A OG1 ILE 188.A O no hydrogen 2.878 N/A ILE 191.A N VAL 172.A O no hydrogen 2.707 N/A ALA 192.A N LEU 210.A O no hydrogen 2.819 N/A VAL 193.A N GLU 174.A O no hydrogen 2.701 N/A ASN 194.A N PHE 212.A O no hydrogen 2.821 N/A ASN 194.A ND2 LEU 198.A O no hydrogen 2.871 N/A THR 195.A N VAL 193.A O no hydrogen 2.973 N/A THR 195.A OG1 GLY 17.A O no hydrogen 2.705 N/A GLN 201.A N ASP 199.A OD2 no hydrogen 3.132 N/A GLN 201.A NE2 ASP 205.A OD1 no hydrogen 2.562 N/A VAL 202.A N ASP 199.A O no hydrogen 3.008 N/A LEU 204.A N GLY 200.A O no hydrogen 3.263 N/A ASP 205.A N GLN 201.A O no hydrogen 2.746 N/A ALA 206.A N VAL 202.A O no hydrogen 3.073 N/A GLY 207.A N LEU 204.A O no hydrogen 2.997 N/A ALA 208.A N LEU 203.A O no hydrogen 3.357 N/A ASP 209.A N THR 190.A O no hydrogen 2.757 N/A LEU 210.A N THR 190.A O no hydrogen 3.456 N/A PHE 212.A N ALA 192.A O no hydrogen 2.870 N/A SER 214.A N THR 217.A OG1.A no hydrogen 3.241 N/A SER 214.A OG THR 217.A OG1.A no hydrogen 2.997 N/A SER 214.A OG THR 217.A OG1.B no hydrogen 2.990 N/A GLN 216.A NE2 GLU 100.A OE1 no hydrogen 3.075 N/A GLN 216.A NE2 GLN 216.A O no hydrogen 3.233 N/A GLN 216.A NE2 ASP 220.A OD1 no hydrogen 3.098 N/A THR 217.A N SER 214.A OG no hydrogen 3.144 N/A THR 217.A OG1.A SER 214.A O no hydrogen 2.895 N/A THR 217.A OG1.A SER 214.A OG no hydrogen 2.997 N/A THR 217.A OG1.B SER 214.A OG no hydrogen 2.990 N/A LEU 218.A N SER 214.A O no hydrogen 3.250 N/A CYS 219.A N MET 215.A O no hydrogen 2.858 N/A ASP 220.A N GLN 216.A O no hydrogen 2.821 N/A SER 221.A N THR 217.A O no hydrogen 2.978 N/A SER 221.A N LEU 218.A O no hydrogen 3.170 N/A SER 221.A OG THR 217.A O no hydrogen 2.761 N/A TRP 222.A N CYS 219.A O no hydrogen 3.322 N/A TRP 222.A NE1 GLU 108.A OE2 no hydrogen 2.905 N/A THR 224.A N SER 221.A O no hydrogen 3.057 N/A ILE 225.A N SER 221.A O no hydrogen 3.132 N/A