Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6b8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N TYR 71.A O no hydrogen 2.810 N/A THR 10.A N LYS 27.A O no hydrogen 3.148 N/A GLY 12.A N LYS 25.A O no hydrogen 2.805 N/A ILE 15.A N VAL 23.A O no hydrogen 2.787 N/A GLY 18.A N GLY 21.A O no hydrogen 3.002 N/A SER 19.A N LEU 149.A O no hydrogen 3.176 N/A PHE 20.A N LEU 149.A O no hydrogen 2.797 N/A THR 22.A N MET 36.A O no hydrogen 2.852 N/A VAL 23.A N GLY 16.A O no hydrogen 2.782 N/A TYR 24.A N VAL 34.A O no hydrogen 2.916 N/A LYS 25.A N GLN 13.A O no hydrogen 2.848 N/A GLY 26.A N VAL 32.A O no hydrogen 2.916 N/A LYS 27.A N THR 10.A O no hydrogen 2.802 N/A TRP 28.A N GLY 30.A O no hydrogen 2.936 N/A TRP 28.A NE1 GLN 8.A OE1 no hydrogen 2.942 N/A VAL 32.A N GLY 26.A O no hydrogen 3.048 N/A ALA 33.A N THR 81.A O no hydrogen 2.883 N/A VAL 34.A N TYR 24.A O no hydrogen 2.866 N/A LYS 35.A N ILE 79.A O no hydrogen 2.812 N/A LYS 35.A NZ GLU 53.A OE1 no hydrogen 3.134 N/A LYS 35.A NZ GLU 53.A OE2 no hydrogen 2.829 N/A MET 36.A N THR 22.A O no hydrogen 2.824 N/A LEU 37.A N LEU 77.A O no hydrogen 3.267 N/A THR 43.A N GLN 46.A OE1 no hydrogen 2.938 N/A THR 43.A OG1 GLN 46.A OE1 no hydrogen 3.406 N/A GLN 46.A N THR 43.A O no hydrogen 2.910 N/A LEU 47.A N THR 43.A O no hydrogen 3.110 N/A GLN 48.A N PRO 44.A O no hydrogen 3.187 N/A GLN 48.A NE2 ASN 52.A OD1 no hydrogen 3.010 N/A ALA 49.A N GLN 45.A O no hydrogen 3.056 N/A PHE 50.A N GLN 46.A O no hydrogen 3.009 N/A LYS 51.A N LEU 47.A O no hydrogen 2.966 N/A ASN 52.A N GLN 48.A O no hydrogen 2.867 N/A GLU 53.A N ALA 49.A O no hydrogen 3.032 N/A VAL 54.A N PHE 50.A O no hydrogen 2.998 N/A GLY 55.A N LYS 51.A O no hydrogen 2.889 N/A VAL 56.A N ASN 52.A O no hydrogen 3.206 N/A LEU 57.A N GLU 53.A O no hydrogen 3.080 N/A ARG 58.A N VAL 54.A O no hydrogen 2.914 N/A ARG 58.A NH2 ASP 1.A OD1 no hydrogen 3.551 N/A LYS 59.A N VAL 56.A O no hydrogen 3.221 N/A THR 60.A N LEU 57.A O no hydrogen 3.038 N/A THR 60.A OG1 LEU 57.A O no hydrogen 2.721 N/A ARG 61.A N TYR 118.A OH no hydrogen 2.913 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.897 N/A ASN 64.A ND2 GLN 111.A OE1 no hydrogen 3.160 N/A ASN 64.A ND2 VAL 142.A O no hydrogen 2.800 N/A ILE 65.A N HIS 62.A O no hydrogen 2.983 N/A LEU 66.A N ILE 144.A O no hydrogen 2.766 N/A LEU 67.A N GLN 82.A OE1 no hydrogen 2.870 N/A MET 69.A N VAL 80.A O no hydrogen 2.789 N/A GLY 70.A N VAL 80.A O no hydrogen 3.335 N/A TYR 71.A N TRP 2.A O no hydrogen 2.932 N/A SER 72.A N ALA 78.A O no hydrogen 2.854 N/A SER 72.A OG LYS 74.A O no hydrogen 3.184 N/A THR 73.A OG1 GLU 3.A OE2 no hydrogen 3.483 N/A LYS 74.A NZ GLU 3.A OE2 no hydrogen 3.470 N/A LYS 74.A NZ ASP 6.A OD1 no hydrogen 3.559 N/A LYS 74.A NZ ASP 6.A OD2 no hydrogen 3.364 N/A GLN 76.A NE2 LEU 37.A O no hydrogen 3.231 N/A ALA 78.A N SER 72.A O no hydrogen 2.823 N/A ILE 79.A N LYS 35.A O no hydrogen 2.858 N/A VAL 80.A N GLY 70.A O no hydrogen 2.807 N/A THR 81.A N ALA 33.A O no hydrogen 2.990 N/A THR 81.A OG1 GLN 82.A O no hydrogen 3.016 N/A GLN 82.A N LEU 67.A O no hydrogen 2.978 N/A GLU 85.A N HIS 137.A ND1 no hydrogen 2.970 N/A SER 87.A OG HIS 92.A NE2 no hydrogen 3.188 N/A LEU 89.A N ILE 134.A O no hydrogen 2.754 N/A TYR 90.A N SER 131.A O no hydrogen 3.119 N/A HIS 91.A N SER 88.A OG no hydrogen 3.045 N/A HIS 92.A N SER 88.A O no hydrogen 3.239 N/A HIS 92.A ND1 THR 98.A OG1 no hydrogen 2.907 N/A LEU 93.A N LEU 89.A O no hydrogen 2.859 N/A HIS 94.A N TYR 90.A O no hydrogen 2.813 N/A HIS 94.A NE2 GLU 181.A OE1 no hydrogen 2.648 N/A ILE 95.A N HIS 91.A O no hydrogen 2.925 N/A ILE 96.A N HIS 91.A O no hydrogen 2.811 N/A THR 98.A N HIS 92.A O no hydrogen 2.737 N/A THR 98.A OG1 HIS 92.A ND1 no hydrogen 2.907 N/A LYS 104.A NZ ASP 139.A O no hydrogen 2.820 N/A LEU 105.A N GLU 101.A O no hydrogen 3.014 N/A ILE 106.A N MET 102.A O no hydrogen 2.971 N/A ASP 107.A N ILE 103.A O no hydrogen 3.065 N/A ILE 108.A N LYS 104.A O no hydrogen 2.931 N/A ALA 109.A N LEU 105.A O no hydrogen 3.003 N/A ARG 110.A N ILE 106.A O no hydrogen 2.851 N/A ARG 110.A NE ASP 107.A OD1 no hydrogen 3.285 N/A ARG 110.A NH2 ASP 107.A OD1 no hydrogen 2.818 N/A GLN 111.A N ASP 107.A O no hydrogen 2.894 N/A GLN 111.A NE2 ASP 107.A OD2 no hydrogen 2.779 N/A GLN 111.A NE2 LEU 140.A O no hydrogen 3.215 N/A THR 112.A N ILE 108.A O no hydrogen 2.970 N/A THR 112.A OG1 ILE 108.A O no hydrogen 2.719 N/A ALA 113.A N ALA 109.A O no hydrogen 2.955 N/A GLN 114.A N ARG 110.A O no hydrogen 2.818 N/A GLY 115.A N GLN 111.A O no hydrogen 3.034 N/A MET 116.A N THR 112.A O no hydrogen 2.900 N/A ASP 117.A N ALA 113.A O no hydrogen 2.837 N/A TYR 118.A N GLN 114.A O no hydrogen 3.100 N/A LEU 119.A N GLY 115.A O no hydrogen 2.927 N/A HIS 120.A N MET 116.A O no hydrogen 2.899 N/A HIS 120.A NE2 ASP 171.A OD2 no hydrogen 2.873 N/A ALA 121.A N ASP 117.A O no hydrogen 2.962 N/A LYS 122.A N TYR 118.A O no hydrogen 3.136 N/A LYS 122.A N LEU 119.A O no hydrogen 3.086 N/A LYS 122.A NZ LYS 59.A O no hydrogen 3.151 N/A SER 123.A N HIS 120.A O no hydrogen 2.927 N/A ILE 124.A N LEU 119.A O no hydrogen 2.835 N/A HIS 126.A N ASP 171.A OD2 no hydrogen 2.824 N/A HIS 126.A NE2 GLY 145.A O no hydrogen 2.802 N/A ARG 127.A N ASP 171.A OD1 no hydrogen 3.161 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.072 N/A LYS 130.A NZ SER 152.A OG no hydrogen 2.955 N/A SER 131.A OG GLU 181.A OE1 no hydrogen 2.649 N/A SER 131.A OG GLU 181.A OE2 no hydrogen 3.324 N/A ASN 133.A N LYS 130.A O no hydrogen 3.036 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.708 N/A ILE 134.A N SER 131.A O no hydrogen 3.372 N/A PHE 135.A N LYS 143.A O no hydrogen 2.878 N/A LEU 136.A N SER 87.A O no hydrogen 3.091 N/A HIS 137.A N THR 141.A O no hydrogen 2.813 N/A GLU 138.A N GLU 85.A O no hydrogen 2.701 N/A ASP 139.A N LEU 136.A O no hydrogen 3.025 N/A LEU 140.A N HIS 137.A O no hydrogen 3.047 N/A THR 141.A N HIS 137.A O no hydrogen 2.945 N/A VAL 142.A N GLN 111.A OE1 no hydrogen 3.066 N/A LYS 143.A N PHE 135.A O no hydrogen 2.841 N/A LYS 143.A NZ VAL 63.A O no hydrogen 2.766 N/A ILE 144.A N ASN 64.A O no hydrogen 2.863 N/A GLY 145.A N ASN 133.A O no hydrogen 3.208 N/A PHE 147.A N ASN 133.A OD1 no hydrogen 2.850 N/A TRP 155.A NE1 GLU 181.A OE2 no hydrogen 2.758 N/A MET 156.A N ILE 153.A O no hydrogen 3.277 N/A GLU 159.A N GLU 159.A OE1 no hydrogen 2.881 N/A VAL 160.A N ALA 157.A O no hydrogen 2.850 N/A ILE 161.A N ALA 157.A O no hydrogen 3.004 N/A ARG 162.A N PRO 158.A O no hydrogen 2.978 N/A ARG 162.A NE GLY 203.A O no hydrogen 3.176 N/A SER 167.A N SER 170.A OG no hydrogen 2.920 N/A GLN 169.A N GLN 169.A OE1 no hydrogen 3.007 N/A SER 170.A N SER 167.A OG no hydrogen 3.305 N/A SER 170.A OG SER 167.A O no hydrogen 2.922 N/A ASP 171.A N SER 167.A O no hydrogen 3.308 N/A VAL 172.A N PHE 168.A O no hydrogen 3.097 N/A TYR 173.A N GLN 169.A O no hydrogen 3.025 N/A ALA 174.A N SER 170.A O no hydrogen 3.294 N/A PHE 175.A N ASP 171.A O no hydrogen 2.877 N/A GLY 176.A N VAL 172.A O no hydrogen 2.872 N/A ILE 177.A N TYR 173.A O no hydrogen 3.103 N/A VAL 178.A N ALA 174.A O no hydrogen 3.095 N/A LEU 179.A N PHE 175.A O no hydrogen 2.948 N/A TYR 180.A N GLY 176.A O no hydrogen 2.882 N/A GLU 181.A N ILE 177.A O no hydrogen 2.897 N/A LEU 182.A N VAL 178.A O no hydrogen 2.894 N/A MET 183.A N LEU 179.A O no hydrogen 2.892 N/A THR 184.A N TYR 180.A O no hydrogen 2.938 N/A THR 184.A OG1 TYR 180.A O no hydrogen 2.811 N/A GLY 185.A N GLU 181.A O no hydrogen 2.743 N/A GLN 186.A N THR 184.A OG1 no hydrogen 3.139 N/A GLN 186.A NE2 THR 184.A O no hydrogen 3.274 N/A ILE 192.A N TYR 189.A O no hydrogen 3.036 N/A ARG 195.A NH2 GLY 151.A O no hydrogen 3.020 N/A GLN 197.A N ASN 194.A OD1 no hydrogen 2.883 N/A ILE 198.A N ASN 194.A O no hydrogen 3.094 N/A ILE 199.A N ARG 195.A O no hydrogen 3.073 N/A PHE 200.A N ASP 196.A O no hydrogen 2.866 N/A MET 201.A N GLN 197.A O no hydrogen 2.949 N/A VAL 202.A N ILE 198.A O no hydrogen 2.934 N/A GLY 203.A N ILE 199.A O no hydrogen 3.215 N/A ARG 204.A N PHE 200.A O no hydrogen 3.071 N/A GLY 205.A N VAL 202.A O no hydrogen 2.975 N/A TYR 206.A N MET 201.A O no hydrogen 2.803 N/A LEU 207.A N MET 201.A O no hydrogen 3.306 N/A SER 208.A OG PRO 209.A O no hydrogen 3.380 N/A SER 212.A OG ASP 210.A OD1 no hydrogen 2.697 N/A SER 212.A OG ASP 210.A OD2 no hydrogen 3.332 N/A LYS 213.A N ASP 210.A O no hydrogen 3.353 N/A LYS 213.A NZ GLN 186.A OE1 no hydrogen 2.830 N/A VAL 214.A N LEU 211.A O no hydrogen 3.081 N/A ARG 215.A N MET 183.A O no hydrogen 2.907 N/A ARG 215.A NH1 PHE 100.A O no hydrogen 3.299 N/A ARG 215.A NH2 PHE 100.A O no hydrogen 3.026 N/A CYS 218.A N ARG 215.A O no hydrogen 3.203 N/A CYS 218.A SG PRO 219.A O no hydrogen 3.807 N/A MET 222.A N PRO 219.A O no hydrogen 2.926 N/A LYS 223.A N PRO 219.A O no hydrogen 3.144 N/A ARG 224.A N LYS 220.A O no hydrogen 3.112 N/A LEU 225.A N ALA 221.A O no hydrogen 3.070 N/A MET 226.A N MET 222.A O no hydrogen 2.982 N/A ALA 227.A N LYS 223.A O no hydrogen 3.152 N/A GLU 228.A N ARG 224.A O no hydrogen 3.001 N/A CYS 229.A N LEU 225.A O no hydrogen 2.963 N/A CYS 229.A SG LEU 225.A O no hydrogen 3.355 N/A LEU 230.A N MET 226.A O no hydrogen 3.044 N/A LYS 231.A N GLU 228.A O no hydrogen 3.425 N/A GLU 236.A N LYS 233.A O no hydrogen 3.057 N/A ARG 237.A N ARG 234.A O no hydrogen 3.257 N/A ARG 237.A NE GLN 169.A O no hydrogen 3.016 N/A ARG 237.A NH1 LYS 231.A O no hydrogen 2.671 N/A ARG 237.A NH2 GLU 159.A OE1 no hydrogen 3.498 N/A ARG 237.A NH2 GLU 159.A OE2 no hydrogen 2.598 N/A ARG 237.A NH2 GLN 169.A O no hydrogen 3.242 N/A ILE 243.A N LEU 239.A O no hydrogen 2.901 N/A LEU 244.A N PHE 240.A O no hydrogen 2.876 N/A ALA 245.A N PRO 241.A O no hydrogen 3.212 N/A SER 246.A N GLN 242.A O no hydrogen 2.984 N/A SER 246.A OG GLN 242.A O no hydrogen 3.138 N/A ILE 247.A N ILE 243.A O no hydrogen 2.928 N/A GLU 248.A N LEU 244.A O no hydrogen 2.909 N/A LEU 249.A N ALA 245.A O no hydrogen 3.116 N/A LEU 250.A N SER 246.A O no hydrogen 3.213 N/A ALA 251.A N ILE 247.A O no hydrogen 3.038 N/A ARG 252.A N LEU 249.A O no hydrogen 3.219 N/A SER 253.A OG LEU 250.A O no hydrogen 3.499 N/A