Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pvu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N SER 2.A O no hydrogen 3.029 N/A ARG 6.A NH1 GLN 203.A OE1 no hydrogen 2.977 N/A ARG 6.A NH2 GLN 203.A OE1 no hydrogen 3.305 N/A ALA 7.A N ALA 3.A O no hydrogen 3.256 N/A LEU 8.A N ASP 4.A O no hydrogen 3.104 N/A ALA 9.A N LEU 5.A O no hydrogen 3.047 N/A LYS 10.A N ARG 6.A O no hydrogen 2.848 N/A HIS 11.A N ALA 7.A O no hydrogen 2.925 N/A HIS 11.A NE2 SER 85.A O no hydrogen 2.845 N/A LEU 12.A N LEU 8.A O no hydrogen 2.989 N/A TYR 13.A N ALA 9.A O no hydrogen 3.028 N/A ASP 14.A N LYS 10.A O no hydrogen 2.942 N/A SER 15.A N HIS 11.A O no hydrogen 3.100 N/A SER 15.A OG HIS 11.A O no hydrogen 2.841 N/A SER 15.A OG SER 85.A OG no hydrogen 3.118 N/A TYR 16.A N LEU 12.A O no hydrogen 2.816 N/A TYR 16.A OH ASP 164.A OD1 no hydrogen 2.748 N/A ILE 17.A N TYR 13.A O no hydrogen 2.873 N/A LYS 18.A N ASP 14.A O no hydrogen 3.063 N/A SER 19.A N SER 15.A O no hydrogen 2.836 N/A SER 19.A N TYR 16.A O no hydrogen 3.137 N/A SER 19.A OG SER 15.A O no hydrogen 2.900 N/A PHE 20.A N TYR 16.A O no hydrogen 2.937 N/A LYS 24.A N ASP 164.A OD1 no hydrogen 2.922 N/A LYS 24.A NZ LEU 162.A O no hydrogen 2.534 N/A ALA 25.A N ASP 164.A OD2 no hydrogen 3.025 N/A LYS 26.A N THR 23.A OG1 no hydrogen 2.992 N/A ALA 27.A N THR 23.A O no hydrogen 2.880 N/A ARG 28.A N LYS 24.A O no hydrogen 2.743 N/A ARG 28.A NH1 SER 115.A O no hydrogen 2.482 N/A ARG 28.A NH1 MET 117.A O no hydrogen 3.074 N/A ARG 28.A NH2 MET 117.A O no hydrogen 2.816 N/A ALA 29.A N ALA 25.A O no hydrogen 2.981 N/A ILE 30.A N LYS 26.A O no hydrogen 2.981 N/A LEU 31.A N ALA 27.A O no hydrogen 2.836 N/A THR 32.A N ARG 28.A O no hydrogen 3.040 N/A THR 32.A OG1 ARG 28.A O no hydrogen 2.700 N/A LYS 38.A N THR 35.A OG1 no hydrogen 2.395 N/A LYS 38.A NZ ASP 37.A OD1 no hydrogen 3.450 N/A LYS 38.A NZ ASP 37.A OD2 no hydrogen 3.174 N/A PHE 41.A N GLN 128.A O no hydrogen 2.780 N/A ILE 43.A N PHE 130.A O no hydrogen 2.755 N/A TYR 44.A N SER 48.A OG no hydrogen 3.247 N/A ASP 45.A N SER 48.A OG no hydrogen 3.244 N/A SER 48.A N ASP 45.A OD1 no hydrogen 3.248 N/A SER 48.A OG ASP 45.A O no hydrogen 3.072 N/A SER 48.A OG ASP 45.A OD1 no hydrogen 2.568 N/A LEU 49.A N ASP 45.A O no hydrogen 3.253 N/A MET 50.A N ASN 47.A O no hydrogen 2.873 N/A MET 51.A N ASN 47.A O no hydrogen 3.217 N/A GLY 52.A N SER 48.A O no hydrogen 2.923 N/A GLU 53.A N LEU 49.A O no hydrogen 3.220 N/A ASP 54.A N MET 50.A O no hydrogen 3.325 N/A LYS 55.A N MET 51.A O no hydrogen 2.667 N/A ALA 61.A N GLU 59.A OE1 no hydrogen 3.178 N/A ARG 63.A N GLU 59.A O no hydrogen 3.157 N/A ILE 64.A N VAL 60.A O no hydrogen 2.874 N/A PHE 65.A N ALA 61.A O no hydrogen 3.089 N/A GLN 66.A N ILE 62.A O no hydrogen 2.881 N/A GLN 66.A NE2 SER 247.A O no hydrogen 3.519 N/A GLY 67.A N ARG 63.A O no hydrogen 2.873 N/A CYS 68.A N ILE 64.A O no hydrogen 3.028 N/A GLN 69.A N PHE 65.A O no hydrogen 2.939 N/A GLN 69.A NE2 TYR 256.A OH no hydrogen 3.280 N/A PHE 70.A N GLN 66.A O no hydrogen 2.780 N/A ARG 71.A N GLY 67.A O no hydrogen 2.887 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 3.277 N/A SER 72.A N CYS 68.A O no hydrogen 2.936 N/A SER 72.A OG CYS 68.A O no hydrogen 3.161 N/A VAL 73.A N GLN 69.A O no hydrogen 3.145 N/A GLU 74.A N PHE 70.A O no hydrogen 3.453 N/A ALA 75.A N ARG 71.A O no hydrogen 2.968 N/A VAL 76.A N SER 72.A O no hydrogen 2.888 N/A GLN 77.A N VAL 73.A O no hydrogen 3.399 N/A GLN 77.A NE2 VAL 73.A O no hydrogen 3.563 N/A GLU 78.A N GLU 74.A O no hydrogen 3.218 N/A ILE 79.A N ALA 75.A O no hydrogen 2.839 N/A THR 80.A N VAL 76.A O no hydrogen 2.889 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.721 N/A GLU 81.A N GLN 77.A O no hydrogen 2.997 N/A TYR 82.A N GLU 78.A O no hydrogen 2.898 N/A TYR 82.A OH ALA 168.A O no hydrogen 2.457 N/A ALA 83.A N ILE 79.A O no hydrogen 2.873 N/A LYS 84.A N THR 80.A O no hydrogen 3.185 N/A SER 85.A N TYR 82.A O no hydrogen 2.890 N/A SER 85.A OG TYR 82.A O no hydrogen 2.671 N/A ILE 86.A N ALA 83.A O no hydrogen 2.752 N/A PHE 89.A N ILE 86.A O no hydrogen 2.869 N/A ASN 91.A N GLY 88.A O no hydrogen 3.000 N/A LEU 92.A N PHE 89.A O no hydrogen 2.930 N/A ASN 95.A N ASP 93.A OD1 no hydrogen 2.849 N/A GLN 97.A N ASP 93.A O no hydrogen 2.991 N/A GLN 97.A NE2 VAL 90.A O no hydrogen 3.123 N/A GLN 97.A NE2 LEU 92.A O no hydrogen 2.784 N/A VAL 98.A N LEU 94.A O no hydrogen 3.006 N/A THR 99.A N ASN 95.A O no hydrogen 2.983 N/A THR 99.A OG1 ASN 95.A O no hydrogen 3.369 N/A LEU 100.A N ASP 96.A O no hydrogen 2.854 N/A LEU 101.A N GLN 97.A O no hydrogen 3.175 N/A LYS 102.A N VAL 98.A O no hydrogen 2.740 N/A LYS 102.A NZ GLU 254.A O no hydrogen 2.559 N/A TYR 103.A N THR 99.A O no hydrogen 3.122 N/A GLY 104.A N LEU 101.A O no hydrogen 3.128 N/A VAL 105.A N LEU 101.A O no hydrogen 3.167 N/A HIS 106.A NE2 TYR 256.A OH no hydrogen 3.069 N/A ILE 108.A N GLY 104.A O no hydrogen 3.047 N/A ILE 109.A N VAL 105.A O no hydrogen 2.649 N/A TYR 110.A N HIS 106.A O no hydrogen 2.968 N/A THR 111.A N GLU 107.A O no hydrogen 3.104 N/A THR 111.A OG1 GLU 107.A O no hydrogen 2.754 N/A MET 112.A N ILE 108.A O no hydrogen 2.985 N/A LEU 113.A N ILE 109.A O no hydrogen 2.920 N/A ALA 114.A N TYR 110.A O no hydrogen 3.283 N/A ALA 114.A N THR 111.A O no hydrogen 3.221 N/A SER 115.A N MET 112.A O no hydrogen 3.000 N/A SER 115.A OG MET 112.A O no hydrogen 3.268 N/A LEU 116.A N LEU 113.A O no hydrogen 2.880 N/A MET 117.A N ALA 114.A O no hydrogen 3.172 N/A ASN 118.A N GLY 121.A O no hydrogen 2.955 N/A LYS 119.A NZ ASP 120.A OD1 no hydrogen 3.525 N/A LYS 119.A NZ ASP 120.A OD2 no hydrogen 3.425 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 2.680 N/A GLY 121.A N ASN 118.A O no hydrogen 3.229 N/A GLY 121.A N ASN 118.A OD1 no hydrogen 2.969 N/A VAL 122.A N MET 131.A O no hydrogen 2.943 N/A LEU 123.A N LEU 116.A O no hydrogen 2.919 N/A ILE 124.A N GLY 129.A O no hydrogen 3.050 N/A SER 125.A OG ILE 124.A O no hydrogen 3.143 N/A SER 125.A OG SER 125.A O no hydrogen 2.565 N/A SER 125.A OG GLN 128.A OE1 no hydrogen 3.349 N/A GLN 128.A N SER 125.A O no hydrogen 3.094 N/A GLY 129.A N ILE 124.A O no hydrogen 3.077 N/A PHE 130.A N PHE 41.A O no hydrogen 2.766 N/A MET 131.A N VAL 122.A O no hydrogen 2.777 N/A THR 132.A N ILE 43.A O no hydrogen 2.963 N/A THR 132.A OG1 ASP 120.A O no hydrogen 3.076 N/A ARG 133.A N ASP 120.A O no hydrogen 2.750 N/A ARG 133.A NE GLU 148.A OE1 no hydrogen 3.294 N/A ARG 133.A NE GLU 148.A OE2 no hydrogen 2.906 N/A ARG 133.A NH1 LYS 119.A O no hydrogen 3.257 N/A ARG 133.A NH2 GLU 148.A OE2 no hydrogen 2.777 N/A GLU 134.A N THR 132.A OG1 no hydrogen 2.894 N/A LEU 136.A N THR 132.A O no hydrogen 3.158 N/A LYS 137.A N ARG 133.A O no hydrogen 2.835 N/A LYS 137.A NZ GLU 134.A OE2 no hydrogen 3.568 N/A LYS 137.A NZ GLU 148.A OE2 no hydrogen 3.477 N/A SER 138.A N PHE 135.A O no hydrogen 3.359 N/A SER 138.A OG GLU 134.A O no hydrogen 3.158 N/A SER 138.A OG PHE 135.A O no hydrogen 2.582 N/A LEU 139.A N LEU 136.A O no hydrogen 3.039 N/A LYS 141.A NZ GLU 59.A OE2 no hydrogen 2.574 N/A PHE 143.A N ARG 140.A O no hydrogen 2.901 N/A PHE 146.A N PHE 143.A O no hydrogen 3.386 N/A LYS 150.A NZ PHE 146.A O no hydrogen 2.933 N/A PHE 151.A N MET 147.A O no hydrogen 3.124 N/A GLU 152.A N GLU 148.A O no hydrogen 3.142 N/A PHE 153.A N PRO 149.A O no hydrogen 3.147 N/A ALA 154.A N LYS 150.A O no hydrogen 2.997 N/A VAL 155.A N PHE 151.A O no hydrogen 3.018 N/A LYS 156.A N GLU 152.A O no hydrogen 3.385 N/A PHE 157.A N PHE 153.A O no hydrogen 2.602 N/A ASN 158.A N ALA 154.A O no hydrogen 2.678 N/A ASN 158.A ND2 ALA 114.A O no hydrogen 2.776 N/A ALA 159.A N VAL 155.A O no hydrogen 3.269 N/A ALA 159.A N LYS 156.A O no hydrogen 3.053 N/A LEU 160.A N PHE 157.A O no hydrogen 3.000 N/A GLU 161.A N ASN 158.A O no hydrogen 3.067 N/A ASP 163.A N ASP 166.A OD2 no hydrogen 2.995 N/A SER 165.A OG ASP 163.A OD1 no hydrogen 2.595 N/A ASP 166.A N ASP 163.A OD1 no hydrogen 3.093 N/A LEU 167.A N ASP 163.A O no hydrogen 2.942 N/A ALA 168.A N ASP 164.A O no hydrogen 2.980 N/A PHE 170.A N ASP 166.A O no hydrogen 3.223 N/A ILE 171.A N LEU 167.A O no hydrogen 2.814 N/A ALA 172.A N ALA 168.A O no hydrogen 3.299 N/A VAL 173.A N ILE 169.A O no hydrogen 2.888 N/A ILE 174.A N PHE 170.A O no hydrogen 3.043 N/A ILE 175.A N ILE 171.A O no hydrogen 3.144 N/A LEU 176.A N ALA 172.A O no hydrogen 3.098 N/A ARG 180.A NH1 GLU 107.A OE2 no hydrogen 3.018 N/A ARG 180.A NH2 GLU 107.A OE1 no hydrogen 2.885 N/A ARG 180.A NH2 ILE 174.A O no hydrogen 3.256 N/A LEU 184.A N ASP 96.A OD1 no hydrogen 2.892 N/A ASN 185.A N ASP 96.A OD2 no hydrogen 2.952 N/A GLU 190.A N VAL 186.A O no hydrogen 3.064 N/A ASP 191.A N LYS 187.A O no hydrogen 2.979 N/A ILE 192.A N PRO 188.A O no hydrogen 3.145 N/A GLN 193.A N ILE 189.A O no hydrogen 2.850 N/A ASP 194.A N GLU 190.A O no hydrogen 2.706 N/A ASN 195.A N ASP 191.A O no hydrogen 3.362 N/A LEU 196.A N ILE 192.A O no hydrogen 3.057 N/A LEU 197.A N GLN 193.A O no hydrogen 2.728 N/A GLN 198.A N ASP 194.A O no hydrogen 3.077 N/A GLN 198.A NE2 ASP 194.A OD1 no hydrogen 3.040 N/A ALA 199.A N ASN 195.A O no hydrogen 2.857 N/A LEU 200.A N LEU 196.A O no hydrogen 2.908 N/A GLU 201.A N LEU 197.A O no hydrogen 2.918 N/A LEU 202.A N GLN 198.A O no hydrogen 2.905 N/A GLN 203.A N ALA 199.A O no hydrogen 2.847 N/A GLN 203.A NE2 ASP 166.A OD1 no hydrogen 2.676 N/A LEU 204.A N LEU 200.A O no hydrogen 2.871 N/A LYS 205.A N GLU 201.A O no hydrogen 3.066 N/A LEU 206.A N LEU 202.A O no hydrogen 2.962 N/A ASN 207.A N GLN 203.A O no hydrogen 2.839 N/A ASN 207.A ND2 ASP 163.A OD1 no hydrogen 3.312 N/A ASN 207.A ND2 ASP 163.A OD2 no hydrogen 2.811 N/A ASN 207.A ND2 ASP 166.A OD1 no hydrogen 2.868 N/A HIS 208.A N LEU 204.A O no hydrogen 2.777 N/A HIS 208.A NE2 ASP 166.A OD2 no hydrogen 2.713 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.421 N/A SER 211.A N HIS 208.A O no hydrogen 2.720 N/A SER 211.A OG GLU 210.A OE2 no hydrogen 3.099 N/A LYS 217.A N GLN 213.A O no hydrogen 2.986 N/A LYS 217.A NZ SER 212.A O no hydrogen 2.510 N/A LEU 218.A N LEU 214.A O no hydrogen 2.760 N/A LEU 219.A N PHE 215.A O no hydrogen 3.008 N/A GLN 220.A N ALA 216.A O no hydrogen 2.958 N/A LYS 221.A N LYS 217.A O no hydrogen 3.355 N/A LYS 221.A N LEU 218.A O no hydrogen 3.174 N/A LYS 221.A NZ LYS 217.A O no hydrogen 3.354 N/A MET 222.A N LEU 219.A O no hydrogen 3.023 N/A THR 223.A N GLN 220.A O no hydrogen 3.070 N/A LEU 225.A N LYS 221.A O no hydrogen 3.046 N/A ARG 226.A N MET 222.A O no hydrogen 3.179 N/A GLN 227.A N THR 223.A O no hydrogen 3.281 N/A ILE 228.A N ASP 224.A O no hydrogen 3.034 N/A VAL 229.A N LEU 225.A O no hydrogen 2.967 N/A THR 230.A N ARG 226.A O no hydrogen 3.084 N/A THR 230.A OG1 ARG 226.A O no hydrogen 3.263 N/A THR 230.A OG1 GLN 227.A O no hydrogen 2.819 N/A GLU 231.A N GLN 227.A O no hydrogen 2.993 N/A HIS 232.A N ILE 228.A O no hydrogen 2.875 N/A VAL 233.A N VAL 229.A O no hydrogen 3.030 N/A GLN 234.A N THR 230.A O no hydrogen 3.219 N/A LEU 235.A N GLU 231.A O no hydrogen 2.895 N/A LEU 236.A N HIS 232.A O no hydrogen 2.689 N/A GLN 237.A N VAL 233.A O no hydrogen 3.070 N/A VAL 238.A N LEU 235.A O no hydrogen 2.932 N/A ILE 239.A N LEU 235.A O no hydrogen 3.326 N/A LYS 240.A N LYS 241.A O no hydrogen 2.942 N/A THR 242.A OG1 VAL 238.A O no hydrogen 3.271 N/A THR 242.A OG1 LYS 241.A O no hydrogen 2.337 N/A THR 242.A OG1 GLU 243.A OE2 no hydrogen 3.168 N/A GLU 243.A N LYS 241.A O no hydrogen 2.698 N/A MET 246.A N GLU 243.A O no hydrogen 2.924 N/A LEU 252.A N HIS 249.A O no hydrogen 2.925 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.797 N/A TYR 256.A N LEU 252.A O no hydrogen 2.774 N/A TYR 256.A OH HIS 106.A NE2 no hydrogen 3.069 N/A TYR 256.A OH HIS 232.A NE2 no hydrogen 3.248 N/A