Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ki8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLU 232.A OE2 no hydrogen 2.788 N/A VAL 1.A N ILE 233.A O no hydrogen 3.550 N/A LYS 2.A NZ GLU 232.A OE1 no hydrogen 2.634 N/A VAL 3.A N ALA 231.A O no hydrogen 3.010 N/A ALA 4.A N LEU 36.A O no hydrogen 2.828 N/A TYR 5.A N GLY 229.A O no hydrogen 2.973 N/A TYR 5.A OH SER 219.A OG no hydrogen 2.850 N/A VAL 6.A N VAL 38.A O no hydrogen 2.807 N/A GLN 7.A N GLU 227.A O no hydrogen 2.756 N/A GLN 7.A NE2 SER 222.A O no hydrogen 2.901 N/A GLN 7.A NE2 GLU 225.A O no hydrogen 2.898 N/A ASN 9.A N GLU 226.A OE2 no hydrogen 2.742 N/A GLN 11.A N ASN 18.A OD1 no hydrogen 2.767 N/A GLN 11.A NE2 ASN 9.A O no hydrogen 2.978 N/A LEU 13.A N THR 45.A O no hydrogen 2.878 N/A GLU 14.A N GLN 11.A O no hydrogen 3.063 N/A LYS 17.A NZ GLU 14.A OE2 no hydrogen 2.824 N/A ASN 18.A N GLU 14.A O no hydrogen 3.174 N/A ASN 18.A ND2 GLN 11.A O no hydrogen 2.925 N/A ASN 18.A ND2 ASP 44.A O no hydrogen 2.862 N/A TYR 19.A N PRO 15.A O no hydrogen 2.788 N/A TYR 19.A OH THR 67.A OG1 no hydrogen 2.688 N/A SER 20.A N ASP 16.A O no hydrogen 3.130 N/A SER 20.A OG.B ASP 16.A O no hydrogen 3.056 N/A LYS 21.A N LYS 17.A O no hydrogen 2.973 N/A LYS 21.A NZ GLU 226.A OE1 no hydrogen 2.793 N/A LYS 21.A NZ GLU 226.A OE2 no hydrogen 3.465 N/A ALA 22.A N ASN 18.A O no hydrogen 2.871 N/A GLU 23.A N TYR 19.A O no hydrogen 2.884 N/A LYS 24.A N SER 20.A O no hydrogen 3.199 N/A LEU 25.A N LYS 21.A O no hydrogen 3.091 N/A ILE 26.A N ALA 22.A O no hydrogen 2.775 N/A LYS 27.A N GLU 23.A O no hydrogen 3.004 N/A GLU 28.A N LYS 24.A O no hydrogen 3.090 N/A ALA 29.A N LEU 25.A O no hydrogen 3.015 N/A SER 30.A N ILE 26.A O no hydrogen 2.891 N/A SER 30.A OG THR 78.A O no hydrogen 2.899 N/A LYS 31.A N LYS 27.A O no hydrogen 2.843 N/A GLN 32.A N GLU 28.A O no hydrogen 3.138 N/A GLY 33.A N SER 30.A O no hydrogen 2.861 N/A ALA 34.A N ALA 29.A O no hydrogen 3.057 N/A GLN 35.A N LYS 2.A O no hydrogen 2.798 N/A GLN 35.A NE2 GLY 33.A O no hydrogen 3.395 N/A VAL 37.A N TYR 81.A O no hydrogen 2.842 N/A VAL 38.A N ALA 4.A O no hydrogen 2.838 N/A LEU 39.A N VAL 83.A O no hydrogen 2.803 N/A GLU 41.A N ALA 168.A O no hydrogen 3.355 N/A PHE 43.A N GLY 85.A O no hydrogen 2.881 N/A THR 45.A OG1 GLY 46.A O no hydrogen 2.844 N/A GLY 46.A N LEU 42.A O no hydrogen 3.045 N/A TYR 47.A N GLU 199.A OE2 no hydrogen 2.844 N/A ASN 48.A N GLU 199.A OE2 no hydrogen 2.743 N/A ASN 48.A ND2 GLU 199.A O no hydrogen 2.987 N/A PHE 49.A N TYR 47.A O no hydrogen 2.845 N/A GLU 50.A N GLU 54.A OE1 no hydrogen 2.655 N/A THR 51.A N GLU 54.A OE1 no hydrogen 3.425 N/A ARG 52.A NE PHE 122.A O no hydrogen 3.385 N/A ARG 52.A NH1 ASP 92.A O no hydrogen 2.497 N/A GLU 54.A N THR 51.A OG1 no hydrogen 3.150 N/A PHE 56.A N ARG 52.A O no hydrogen 2.832 N/A GLU 57.A N GLU 53.A O no hydrogen 2.913 N/A ILE 58.A N VAL 55.A O no hydrogen 3.092 N/A ALA 59.A N VAL 55.A O no hydrogen 2.960 N/A GLN 60.A NE2 ILE 58.A O no hydrogen 2.958 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.726 N/A GLY 65.A N LYS 61.A O no hydrogen 2.793 N/A GLU 66.A N GLN 60.A OE1 no hydrogen 2.829 N/A THR 67.A OG1 TYR 19.A OH no hydrogen 2.688 N/A THR 67.A OG1 ASP 44.A OD2 no hydrogen 2.638 N/A THR 69.A N GLY 65.A O no hydrogen 3.072 N/A THR 69.A OG1 GLY 65.A O no hydrogen 3.090 N/A PHE 70.A N GLU 66.A O no hydrogen 2.914 N/A LEU 71.A N THR 67.A O no hydrogen 2.925 N/A MET 72.A N THR 68.A O no hydrogen 2.817 N/A ASP 73.A N THR 69.A O no hydrogen 2.989 N/A VAL 74.A N PHE 70.A O no hydrogen 3.037 N/A ALA 75.A N LEU 71.A O no hydrogen 2.930 N/A ARG 76.A N MET 72.A O no hydrogen 2.978 N/A ARG 76.A NH1 ASP 73.A OD2 no hydrogen 3.040 N/A ARG 76.A NH2 ASP 77.A OD1 no hydrogen 2.994 N/A ASP 77.A N ASP 73.A O no hydrogen 2.978 N/A THR 78.A N VAL 74.A O no hydrogen 2.873 N/A THR 78.A OG1 VAL 74.A O no hydrogen 2.888 N/A GLY 79.A N ALA 75.A O no hydrogen 2.903 N/A VAL 80.A N ALA 75.A O no hydrogen 3.270 N/A TYR 81.A N GLN 35.A O no hydrogen 2.854 N/A ILE 82.A N VAL 101.A O no hydrogen 2.888 N/A VAL 83.A N VAL 37.A O no hydrogen 2.979 N/A ALA 84.A N VAL 99.A O no hydrogen 2.942 N/A GLY 85.A N PRO 40.A O no hydrogen 3.043 N/A THR 86.A N SER 97.A O no hydrogen 2.816 N/A THR 86.A OG1 ASP 44.A OD2 no hydrogen 2.550 N/A THR 86.A OG1 ALA 87.A O no hydrogen 3.474 N/A ALA 87.A N ASP 44.A OD1 no hydrogen 3.445 N/A GLU 88.A N TYR 95.A O no hydrogen 2.886 N/A LYS 89.A N GLN 60.A O no hydrogen 2.934 N/A LYS 89.A NZ PHE 56.A O no hydrogen 2.754 N/A ASP 90.A N VAL 93.A O no hydrogen 2.872 N/A VAL 93.A N ASP 90.A O no hydrogen 3.048 N/A TYR 95.A N GLU 88.A O no hydrogen 2.859 N/A ASN 96.A ND2 GLU 41.A OE1.B no hydrogen 2.983 N/A ASN 96.A ND2 GLU 41.A OE2.A no hydrogen 3.083 N/A SER 97.A N THR 86.A O no hydrogen 3.038 N/A SER 97.A OG GLU 88.A OE2 no hydrogen 2.815 N/A ALA 98.A N TYR 110.A O no hydrogen 2.809 N/A VAL 99.A N ALA 84.A O no hydrogen 2.855 N/A VAL 100.A N GLY 108.A O no hydrogen 2.774 N/A VAL 101.A N ILE 82.A O no hydrogen 2.982 N/A GLY 102.A N GLY 105.A O no hydrogen 2.864 N/A GLY 105.A N GLY 102.A O no hydrogen 2.962 N/A ILE 107.A N VAL 100.A O no hydrogen 2.850 N/A GLY 108.A N VAL 100.A O no hydrogen 3.143 N/A LYS 109.A NZ GLU 88.A OE1 no hydrogen 2.963 N/A TYR 110.A N ALA 98.A O no hydrogen 2.929 N/A TYR 110.A OH ASP 146.A OD2 no hydrogen 2.382 N/A ARG 111.A NE GLU 88.A OE2 no hydrogen 2.863 N/A ARG 111.A NH1 ASP 127.A OD1 no hydrogen 2.870 N/A ARG 111.A NH2 GLU 88.A OE1 no hydrogen 2.884 N/A ARG 111.A NH2 ASP 90.A OD2 no hydrogen 3.056 N/A LYS 112.A N ASN 96.A O no hydrogen 2.777 N/A LYS 112.A NZ GLU 41.A OE1.A no hydrogen 3.036 N/A LYS 112.A NZ GLU 41.A OE1.B no hydrogen 2.790 N/A LYS 112.A NZ GLU 119.A OE1.A no hydrogen 2.702 N/A LYS 112.A NZ GLU 119.A OE1.B no hydrogen 2.688 N/A LYS 112.A NZ GLU 119.A OE2.A no hydrogen 2.951 N/A LYS 112.A NZ GLU 119.A OE2.B no hydrogen 2.922 N/A ILE 113.A N TYR 110.A OH no hydrogen 2.906 N/A HIS 114.A N ASP 146.A OD1 no hydrogen 3.112 N/A HIS 114.A ND1 ASP 146.A OD1 no hydrogen 2.815 N/A PHE 116.A N GLU 119.A OE1.A no hydrogen 2.852 N/A PHE 116.A N GLU 119.A OE1.B no hydrogen 2.837 N/A ARG 118.A NH2 PHE 49.A O no hydrogen 2.953 N/A ARG 118.A NH2 GLU 50.A OE2 no hydrogen 3.100 N/A GLU 119.A N PHE 116.A O no hydrogen 2.971 N/A LYS 120.A N TYR 117.A O no hydrogen 3.161 N/A PHE 121.A N ARG 118.A O no hydrogen 2.839 N/A PHE 122.A N GLU 119.A O no hydrogen 2.986 N/A PHE 123.A N GLU 119.A O no hydrogen 2.903 N/A GLU 124.A N LEU 94.A O no hydrogen 2.739 N/A GLY 126.A N LYS 112.A O no hydrogen 2.787 N/A ARG 131.A NH1.A LYS 109.A O no hydrogen 3.136 N/A ARG 131.A NH1.B LYS 109.A O no hydrogen 2.788 N/A PHE 133.A N VAL 140.A O no hydrogen 2.782 N/A LEU 135.A N MET 138.A O no hydrogen 2.824 N/A GLY 136.A N ASP 134.A OD1 no hydrogen 2.757 N/A LYS 139.A N ASP 162.A OD1 no hydrogen 2.804 N/A VAL 140.A N PHE 133.A O no hydrogen 2.901 N/A GLY 141.A N VAL 163.A O no hydrogen 2.833 N/A VAL 142.A N ARG 131.A O no hydrogen 3.419 N/A MET 143.A N ALA 165.A O no hydrogen 3.156 N/A ILE 144.A N ASP 146.A OD2 no hydrogen 2.847 N/A ASP 146.A N ILE 144.A O no hydrogen 2.959 N/A PHE 148.A N PHE 145.A O no hydrogen 2.859 N/A PHE 149.A N ASP 146.A O no hydrogen 3.283 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.730 N/A SER 152.A N PHE 149.A O no hydrogen 3.058 N/A SER 152.A OG ASP 146.A O no hydrogen 2.891 N/A SER 152.A OG PHE 149.A O no hydrogen 3.376 N/A ARG 154.A N PRO 150.A O no hydrogen 3.093 N/A ARG 154.A NH1 GLU 185.A O no hydrogen 3.023 N/A ARG 154.A NH1 ASN 186.A OD1 no hydrogen 2.854 N/A THR 155.A N GLU 151.A O no hydrogen 2.932 N/A THR 155.A OG1 GLU 151.A O no hydrogen 2.704 N/A LEU 156.A N SER 152.A O no hydrogen 3.240 N/A ALA 157.A N ALA 153.A O no hydrogen 2.929 N/A LEU 158.A N ARG 154.A O no hydrogen 2.852 N/A LYS 159.A N THR 155.A O no hydrogen 3.295 N/A LYS 159.A N LEU 156.A O no hydrogen 3.139 N/A LYS 159.A NZ PHE 130.A O no hydrogen 2.731 N/A GLY 160.A N ALA 157.A O no hydrogen 2.898 N/A ALA 161.A N LEU 156.A O no hydrogen 3.199 N/A ASP 162.A N LYS 139.A O no hydrogen 2.818 N/A VAL 163.A N LYS 139.A O no hydrogen 3.382 N/A ILE 164.A N TYR 189.A O no hydrogen 2.800 N/A ALA 165.A N GLY 141.A O no hydrogen 2.726 N/A HIS 166.A N VAL 191.A O no hydrogen 2.812 N/A HIS 166.A ND1 THR 192.A OG1 no hydrogen 2.793 N/A ALA 168.A N ALA 193.A O no hydrogen 2.878 N/A ASN 169.A ND2 GLU 41.A O no hydrogen 2.889 N/A ASN 169.A ND2 ALA 168.A O no hydrogen 2.798 N/A LEU 170.A N ASP 194.A OD1 no hydrogen 2.742 N/A ARG 177.A N TYR 174.A O no hydrogen 2.958 N/A ALA 178.A N TYR 174.A O no hydrogen 3.087 N/A MET 179.A N ALA 175.A O no hydrogen 2.847 N/A ILE 181.A N ALA 178.A O no hydrogen 2.884 N/A ARG 182.A N ALA 178.A O no hydrogen 2.937 N/A ARG 182.A NE TRP 147.A O no hydrogen 2.827 N/A ARG 182.A NH1 GLU 185.A OE2 no hydrogen 2.927 N/A ARG 182.A NH2 TRP 147.A O no hydrogen 2.964 N/A ALA 183.A N MET 179.A O no hydrogen 2.909 N/A LEU 184.A N PRO 180.A O no hydrogen 3.007 N/A GLU 185.A N ILE 181.A O no hydrogen 2.855 N/A ASN 186.A N ARG 182.A O no hydrogen 3.368 N/A ASN 186.A ND2 ARG 182.A O no hydrogen 2.955 N/A LYS 187.A N LEU 184.A O no hydrogen 3.053 N/A LYS 187.A NZ LEU 237.A O no hydrogen 2.831 N/A LYS 187.A NZ ASN 240.A O.A no hydrogen 2.629 N/A LYS 187.A NZ ASN 240.A O.B no hydrogen 2.642 N/A LYS 187.A NZ ARG 242.A O no hydrogen 3.464 N/A VAL 188.A N ALA 183.A O no hydrogen 2.882 N/A TYR 189.A N ASP 162.A O no hydrogen 3.294 N/A THR 190.A N ALA 211.A O no hydrogen 2.889 N/A VAL 191.A N ILE 164.A O no hydrogen 2.904 N/A THR 192.A N LEU 209.A O no hydrogen 2.828 N/A THR 192.A OG1 HIS 166.A ND1 no hydrogen 2.793 N/A ALA 193.A N HIS 166.A O no hydrogen 3.043 N/A ASP 194.A N SER 208.A OG no hydrogen 2.737 N/A ARG 195.A NE VAL 196.A O no hydrogen 2.979 N/A ARG 195.A NH1 ASN 9.A OD1 no hydrogen 2.904 N/A ARG 195.A NH1 VAL 196.A O no hydrogen 3.302 N/A ARG 195.A NH1 GLU 199.A OE1 no hydrogen 3.381 N/A ARG 195.A NH2 GLU 199.A OE1 no hydrogen 2.772 N/A VAL 196.A N MET 8.A O no hydrogen 3.027 N/A GLU 199.A N LEU 202.A O no hydrogen 2.861 N/A ARG 200.A NH1 ASN 48.A O no hydrogen 3.006 N/A ARG 200.A NH1 GLU 54.A OE1 no hydrogen 2.943 N/A ARG 200.A NH2 GLU 54.A OE2 no hydrogen 3.089 N/A LEU 202.A N GLU 199.A O no hydrogen 3.031 N/A PHE 204.A N GLY 197.A O no hydrogen 2.985 N/A ILE 205.A N LEU 170.A O no hydrogen 2.985 N/A GLY 206.A N ARG 195.A O no hydrogen 3.172 N/A LYS 207.A N SER 222.A O no hydrogen 2.861 N/A SER 208.A N GLN 7.A OE1 no hydrogen 2.972 N/A SER 208.A OG GLN 7.A OE1 no hydrogen 2.670 N/A LEU 209.A N THR 192.A O no hydrogen 2.937 N/A ILE 210.A N SER 219.A O no hydrogen 2.928 N/A ALA 211.A N THR 190.A O no hydrogen 2.914 N/A SER 212.A N GLU 216.A O no hydrogen 2.789 N/A LYS 214.A N SER 212.A OG no hydrogen 2.954 N/A ALA 215.A N SER 212.A O no hydrogen 2.910 N/A GLU 216.A N SER 212.A OG no hydrogen 3.199 N/A LEU 218.A N ILE 210.A O no hydrogen 2.830 N/A SER 219.A OG TYR 5.A OH no hydrogen 2.850 N/A ALA 221.A N SER 208.A O no hydrogen 2.770 N/A SER 222.A N GLU 227.A OE1 no hydrogen 2.998 N/A SER 222.A OG GLU 227.A OE1 no hydrogen 2.588 N/A THR 224.A OG1 GLU 225.A OE1 no hydrogen 2.668 N/A GLU 225.A N SER 222.A OG no hydrogen 2.900 N/A GLU 227.A N GLN 7.A O no hydrogen 2.867 N/A GLY 229.A N TYR 5.A O no hydrogen 3.100 N/A ALA 231.A N VAL 3.A O no hydrogen 2.958 N/A ILE 233.A N VAL 1.A O no hydrogen 2.794 N/A ASP 234.A N TYR 189.A OH no hydrogen 2.912 N/A SER 236.A N ASP 234.A OD2 no hydrogen 3.033 N/A LEU 237.A N ASP 234.A O no hydrogen 3.142 N/A LEU 237.A N ASP 234.A OD2 no hydrogen 3.390 N/A VAL 238.A N LEU 235.A O no hydrogen 3.252 N/A ARG 239.A N LEU 235.A O no hydrogen 2.942 N/A ARG 239.A NE ASP 162.A OD2 no hydrogen 2.893 N/A ARG 239.A NH1 PHE 137.A O no hydrogen 3.322 N/A ARG 239.A NH1 ASP 162.A OD1 no hydrogen 2.917 N/A ASN 240.A N.A SER 236.A O no hydrogen 3.159 N/A ASN 240.A N.B SER 236.A O no hydrogen 3.200 N/A LYS 241.A NZ ASN 186.A O no hydrogen 2.825 N/A LYS 241.A NZ LYS 187.A O no hydrogen 2.843 N/A LYS 241.A NZ VAL 238.A O no hydrogen 2.888 N/A ARG 242.A N ASN 240.A OD1.A no hydrogen 3.021 N/A ARG 242.A N ASN 240.A OD1.B no hydrogen 3.127 N/A ARG 242.A NH2.B ASP 245.A O no hydrogen 3.002 N/A ILE 243.A N ASN 247.A O no hydrogen 2.924 N/A ASN 244.A ND2 ASN 247.A OD1 no hydrogen 3.008 N/A LEU 246.A N ASN 244.A OD1 no hydrogen 2.697 N/A ASN 247.A N ASN 244.A O no hydrogen 3.243 N/A ASN 247.A ND2 ASP 252.A OD2 no hydrogen 2.632 N/A ILE 249.A N LYS 241.A O no hydrogen 2.880 N/A LYS 251.A N ASP 248.A OD1 no hydrogen 3.020 N/A ASP 252.A N ASP 248.A O no hydrogen 2.885 N/A ARG 253.A N PHE 250.A O no hydrogen 3.355 N/A ARG 253.A NH1 GLU 255.A OE2 no hydrogen 2.819 N/A ARG 253.A NH2 GLU 255.A OE2 no hydrogen 2.947 N/A ARG 254.A N TYR 258.A OH no hydrogen 2.974 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.792 N/A TYR 257.A N ARG 254.A O no hydrogen 3.007 N/A TYR 258.A N GLU 255.A O no hydrogen 3.040 N/A ARG 260.A NE TYR 258.A O no hydrogen 2.969 N/A