Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ahe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ARG 207.A O no hydrogen 2.533 N/A ILE 3.A N VAL 209.A O no hydrogen 2.792 N/A ALA 5.A N VAL 211.A O no hydrogen 2.853 N/A LEU 6.A N HIS 40.A O no hydrogen 2.973 N/A LEU 8.A N VAL 42.A O no hydrogen 2.807 N/A ILE 9.A N THR 12.A O no hydrogen 2.870 N/A ASP 10.A N.A THR 45.A OG1 no hydrogen 2.905 N/A ASP 10.A N.B THR 45.A OG1 no hydrogen 2.908 N/A GLY 11.A N GLN 54.A OE1 no hydrogen 2.887 N/A THR 12.A N ILE 9.A O no hydrogen 2.837 N/A THR 12.A OG1 ASN 22.A OD1 no hydrogen 2.530 N/A VAL 13.A N GLY 21.A O no hydrogen 2.860 N/A VAL 14.A N ASP 7.A O no hydrogen 3.038 N/A ARG 15.A N ARG 18.A O no hydrogen 2.969 N/A ARG 18.A N ARG 15.A O no hydrogen 3.126 N/A TYR 20.A N VAL 13.A O no hydrogen 2.788 N/A GLY 21.A N ASP 19.A OD1 no hydrogen 2.446 N/A ARG 27.A N ASP 23.A O no hydrogen 3.370 N/A ARG 27.A NE ASP 23.A OD1 no hydrogen 3.237 N/A ARG 27.A NH2 TYR 20.A O no hydrogen 3.036 N/A LEU 28.A N PRO 24.A O no hydrogen 2.944 N/A GLN 29.A N LEU 25.A O no hydrogen 2.800 N/A GLN 29.A NE2 GLY 64.A O no hydrogen 2.957 N/A ASP 30.A N PRO 26.A O no hydrogen 3.060 N/A TYR 31.A N ARG 27.A O no hydrogen 3.057 N/A ALA 32.A N LEU 28.A O no hydrogen 3.032 N/A ALA 33.A N GLN 29.A O no hydrogen 2.915 N/A GLN 34.A N ASP 30.A O no hydrogen 3.268 N/A GLN 34.A N TYR 31.A O no hydrogen 3.285 N/A GLN 34.A NE2 ASP 30.A O no hydrogen 3.236 N/A GLY 35.A N ALA 32.A O no hydrogen 3.024 N/A ALA 36.A N TYR 31.A O no hydrogen 3.418 N/A LEU 39.A N PRO 68.A O no hydrogen 2.972 N/A HIS 40.A N PRO 4.A O no hydrogen 2.934 N/A LEU 41.A N GLN 70.A O no hydrogen 2.906 N/A VAL 42.A N LEU 6.A O no hydrogen 2.958 N/A ASP 43.A N GLY 72.A O no hydrogen 2.905 N/A LEU 44.A N LEU 8.A O no hydrogen 2.983 N/A THR 45.A OG1 ASP 10.A OD1.B no hydrogen 3.246 N/A GLY 46.A N ASP 43.A OD1 no hydrogen 2.864 N/A ALA 47.A N ASP 43.A O no hydrogen 3.069 N/A LYS 48.A N LEU 44.A O no hydrogen 3.233 N/A LYS 48.A N THR 45.A O no hydrogen 3.208 N/A ASP 49.A N THR 45.A O no hydrogen 3.058 N/A ALA 51.A N ASP 49.A OD1 no hydrogen 3.195 N/A LYS 52.A N ASP 49.A O no hydrogen 2.809 N/A ARG 53.A N PRO 50.A O no hydrogen 3.204 N/A ARG 53.A NH1 GLY 73.A O no hydrogen 2.770 N/A ARG 53.A NH1 GLY 74.A O no hydrogen 3.454 N/A ARG 53.A NH2 GLY 74.A O no hydrogen 2.800 N/A GLN 54.A N ASP 43.A OD2 no hydrogen 2.952 N/A GLN 54.A NE2 LEU 8.A O no hydrogen 3.201 N/A GLN 54.A NE2 ASP 43.A OD1 no hydrogen 2.690 N/A ILE 55.A N ARG 53.A O no hydrogen 2.776 N/A ILE 58.A N GLN 54.A O no hydrogen 2.955 N/A LYS 59.A N ILE 55.A O no hydrogen 2.866 N/A THR 60.A N PRO 56.A O no hydrogen 3.231 N/A THR 60.A OG1.A PRO 56.A O no hydrogen 3.175 N/A THR 60.A OG1.B LEU 57.A O no hydrogen 2.543 N/A LEU 61.A N LEU 57.A O no hydrogen 2.966 N/A VAL 62.A N ILE 58.A O no hydrogen 2.956 N/A ALA 63.A N LYS 59.A O no hydrogen 3.038 N/A GLY 64.A N THR 60.A O no hydrogen 2.977 N/A GLY 64.A N LEU 61.A O no hydrogen 3.148 N/A GLN 70.A N LEU 39.A O no hydrogen 2.836 N/A GLN 70.A NE2 HIS 40.A ND1 no hydrogen 2.980 N/A GLN 70.A NE2 GLN 187.A OE1 no hydrogen 2.921 N/A VAL 71.A N ARG 91.A O no hydrogen 2.989 N/A GLY 72.A N LEU 41.A O no hydrogen 3.006 N/A ARG 76.A N ASP 80.A OD2 no hydrogen 2.891 N/A ARG 76.A NH2 ALA 47.A O no hydrogen 3.243 N/A THR 77.A N ASP 80.A OD2 no hydrogen 2.981 N/A THR 77.A OG1 GLU 79.A OE1 no hydrogen 3.500 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.773 N/A ASP 80.A N THR 77.A OG1 no hydrogen 3.143 N/A VAL 81.A N THR 77.A O no hydrogen 3.186 N/A ALA 82.A N GLU 78.A O no hydrogen 2.986 N/A ALA 83.A N GLU 79.A O no hydrogen 2.932 N/A LEU 84.A N ASP 80.A O no hydrogen 3.127 N/A LEU 85.A N VAL 81.A O no hydrogen 3.019 N/A LYS 86.A N ALA 82.A O no hydrogen 2.849 N/A ALA 87.A N ALA 83.A O no hydrogen 3.106 N/A GLY 88.A N LEU 85.A O no hydrogen 2.958 N/A VAL 89.A N LEU 84.A O no hydrogen 3.243 N/A ALA 90.A N VAL 69.A O no hydrogen 3.028 N/A ARG 91.A N VAL 69.A O no hydrogen 3.483 N/A ARG 91.A NE GLN 70.A OE1 no hydrogen 3.370 N/A ARG 91.A NH2 GLN 70.A OE1 no hydrogen 2.617 N/A VAL 92.A N ALA 116.A O no hydrogen 2.808 N/A VAL 93.A N VAL 71.A O no hydrogen 2.857 N/A ILE 94.A N VAL 118.A O no hydrogen 2.812 N/A THR 97.A OG1 VAL 75.A O no hydrogen 2.978 N/A ALA 98.A N GLY 95.A O no hydrogen 2.967 N/A VAL 99.A N SER 96.A O no hydrogen 3.057 N/A LYS 100.A N SER 96.A O no hydrogen 2.914 N/A SER 101.A N THR 97.A O no hydrogen 2.947 N/A VAL 105.A N SER 101.A O no hydrogen 3.042 N/A LYS 106.A N PRO 102.A O no hydrogen 2.813 N/A GLY 107.A N ASP 103.A O no hydrogen 3.256 N/A TRP 108.A N VAL 104.A O no hydrogen 3.263 N/A PHE 109.A N VAL 105.A O no hydrogen 3.070 N/A GLU 110.A N LYS 106.A O no hydrogen 3.162 N/A ARG 111.A N GLY 107.A O no hydrogen 2.960 N/A ARG 111.A NH1 GLU 78.A OE2 no hydrogen 2.471 N/A PHE 112.A N TRP 108.A O no hydrogen 2.814 N/A GLY 113.A N PHE 109.A O no hydrogen 2.920 N/A GLN 115.A NE2 PHE 112.A O no hydrogen 2.963 N/A ALA 116.A N GLY 113.A O no hydrogen 3.041 N/A LEU 117.A N ALA 114.A O no hydrogen 3.526 N/A VAL 118.A N VAL 92.A O no hydrogen 2.858 N/A LEU 119.A N HIS 160.A O no hydrogen 3.092 N/A ALA 120.A N ILE 94.A O no hydrogen 2.816 N/A LEU 121.A N LEU 162.A O no hydrogen 2.807 N/A VAL 123.A N THR 164.A O no hydrogen 2.809 N/A ARG 124.A N GLN 132.A O no hydrogen 2.763 N/A ARG 124.A NH1 GLN 139.A O no hydrogen 2.985 N/A ARG 124.A NH1 ASN 141.A OD1 no hydrogen 2.789 N/A ARG 124.A NH2 SER 136.A O no hydrogen 3.549 N/A ARG 124.A NH2 GLN 139.A O no hydrogen 3.082 N/A ILE 125.A N SER 167.A OG no hydrogen 3.128 N/A ASP 126.A N THR 130.A O no hydrogen 3.005 N/A HIS 128.A N ASP 126.A OD1 no hydrogen 2.976 N/A GLY 129.A N ASP 126.A O no hydrogen 3.035 N/A GLY 129.A N ASP 126.A OD1 no hydrogen 3.010 N/A THR 130.A N ASP 126.A OD1 no hydrogen 2.861 N/A LYS 131.A NZ GLU 147.A OE2 no hydrogen 3.255 N/A LYS 131.A NZ GLU 176.A OE1 no hydrogen 2.595 N/A GLN 132.A N ARG 124.A O no hydrogen 2.807 N/A GLN 132.A NE2 ASP 126.A OD2 no hydrogen 2.681 N/A VAL 133.A N VAL 144.A O no hydrogen 2.941 N/A ALA 134.A N ASP 122.A O no hydrogen 3.023 N/A TRP 138.A N SER 136.A OG no hydrogen 3.406 N/A GLN 139.A N SER 136.A O no hydrogen 3.453 N/A GLN 139.A NE2 SER 136.A OG no hydrogen 2.776 N/A SER 142.A N VAL 133.A O no hydrogen 2.974 N/A SER 145.A N GLN 148.A OE1 no hydrogen 3.033 N/A LEU 146.A N LYS 131.A O no hydrogen 2.913 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.882 N/A GLN 148.A N SER 145.A OG no hydrogen 3.125 N/A LEU 149.A N SER 145.A O no hydrogen 2.991 N/A VAL 150.A N LEU 146.A O no hydrogen 2.892 N/A GLU 151.A N GLU 147.A O no hydrogen 2.991 N/A THR 152.A N GLN 148.A O no hydrogen 3.228 N/A THR 152.A N LEU 149.A O no hydrogen 3.171 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.976 N/A TYR 153.A N VAL 150.A O no hydrogen 2.999 N/A TYR 153.A OH ALA 98.A O no hydrogen 2.691 N/A LEU 154.A N VAL 150.A O no hydrogen 3.092 N/A VAL 156.A N TYR 153.A O no hydrogen 3.081 N/A GLY 157.A N LEU 154.A O no hydrogen 2.995 N/A LEU 158.A N TYR 153.A O no hydrogen 3.401 N/A LYS 159.A NZ GLN 183.A O no hydrogen 2.630 N/A VAL 161.A N ALA 185.A O no hydrogen 3.283 N/A LEU 162.A N LEU 119.A O no hydrogen 2.806 N/A CYS 163.A N GLN 187.A O no hydrogen 2.847 N/A THR 164.A N LEU 121.A O no hydrogen 3.008 N/A THR 164.A OG1 SER 189.A OG no hydrogen 3.096 N/A ILE 166.A N VAL 123.A O no hydrogen 2.788 N/A SER 167.A N ASP 165.A OD1 no hydrogen 3.047 N/A SER 167.A OG ASP 165.A OD1 no hydrogen 2.701 N/A SER 172.A N GLY 168.A O no hydrogen 3.036 N/A SER 172.A OG.A GLY 168.A O no hydrogen 3.111 N/A SER 172.A OG.B GLY 168.A O no hydrogen 3.331 N/A SER 172.A OG.B SER 169.A O no hydrogen 2.751 N/A LEU 173.A N SER 169.A O no hydrogen 2.885 N/A TYR 174.A N ASN 170.A O no hydrogen 3.253 N/A TYR 174.A OH CYS 163.A O no hydrogen 2.691 N/A GLU 175.A N VAL 171.A O no hydrogen 3.003 N/A GLU 176.A N SER 172.A O no hydrogen 2.992 N/A VAL 177.A N LEU 173.A O no hydrogen 3.191 N/A CYS 178.A N TYR 174.A O no hydrogen 3.010 N/A CYS 178.A SG TYR 174.A O no hydrogen 3.145 N/A ALA 179.A N GLU 175.A O no hydrogen 3.106 N/A ARG 180.A N GLU 176.A O no hydrogen 3.096 N/A ARG 180.A NE TYR 181.A OH no hydrogen 3.058 N/A ARG 180.A NH2 GLU 151.A OE2 no hydrogen 3.223 N/A TYR 181.A N VAL 177.A O no hydrogen 3.096 N/A TYR 181.A OH GLU 151.A OE2 no hydrogen 2.544 N/A GLN 183.A N GLN 183.A OE1 no hydrogen 2.684 N/A ILE 184.A N TYR 181.A O no hydrogen 3.101 N/A ALA 185.A N LYS 159.A O no hydrogen 2.805 N/A GLN 187.A N VAL 161.A O no hydrogen 2.724 N/A GLN 187.A NE2 GLN 70.A OE1 no hydrogen 3.093 N/A SER 188.A N GLY 208.A O no hydrogen 2.884 N/A SER 188.A OG.A GLY 208.A O no hydrogen 3.510 N/A SER 188.A OG.B TYR 174.A OH no hydrogen 2.883 N/A SER 189.A N CYS 163.A O no hydrogen 3.168 N/A SER 189.A OG THR 164.A OG1 no hydrogen 3.096 N/A GLY 193.A N ASP 197.A OD2 no hydrogen 2.767 N/A ASP 194.A N ASP 197.A OD2 no hydrogen 3.104 N/A ASP 197.A N ASP 194.A O no hydrogen 3.107 N/A ASP 197.A N ASP 194.A OD1 no hydrogen 3.312 N/A ILE 198.A N ILE 195.A O no hydrogen 3.072 N/A ALA 199.A N ILE 195.A O no hydrogen 3.321 N/A ALA 200.A N ASP 196.A O no hydrogen 3.046 N/A LEU 201.A N.A ILE 198.A O no hydrogen 3.140 N/A LEU 201.A N.B ILE 198.A O no hydrogen 3.114 N/A ARG 202.A N.A ALA 199.A O no hydrogen 3.056 N/A ARG 202.A N.B ALA 199.A O no hydrogen 3.228 N/A ARG 202.A NE.A ALA 199.A O no hydrogen 3.275 N/A THR 204.A N LEU 201.A O.A no hydrogen 3.227 N/A THR 204.A OG1 LEU 201.A O.A no hydrogen 2.720 N/A THR 204.A OG1 LEU 201.A O.B no hydrogen 2.806 N/A VAL 206.A N THR 204.A OG1 no hydrogen 3.358 N/A ARG 207.A N PHE 186.A O no hydrogen 2.856 N/A GLY 208.A N PHE 186.A O no hydrogen 3.249 N/A VAL 209.A N MET 1.A O no hydrogen 2.923 N/A ILE 210.A N SER 188.A O no hydrogen 2.833 N/A VAL 211.A N ILE 3.A O no hydrogen 2.968 N/A ARG 213.A NE GLU 217.A OE2 no hydrogen 3.217 N/A ARG 213.A NH2 GLU 217.A OE2 no hydrogen 3.000 N/A LEU 215.A N GLY 212.A O no hydrogen 3.158 N/A LEU 216.A N GLY 212.A O no hydrogen 3.438 N/A GLU 217.A N ARG 213.A O no hydrogen 2.836 N/A GLY 218.A N LEU 215.A O no hydrogen 3.113 N/A LYS 219.A N ALA 214.A O no hydrogen 3.051 N/A LYS 219.A NZ GLY 193.A O no hydrogen 3.170 N/A THR 221.A N GLU 224.A OE1 no hydrogen 3.022 N/A THR 221.A OG1 GLU 224.A OE1 no hydrogen 3.475 N/A LYS 223.A N GLN 34.A OE1 no hydrogen 2.964 N/A LYS 223.A NZ GLN 34.A O no hydrogen 3.070 N/A GLU 224.A N THR 221.A OG1 no hydrogen 3.133 N/A ALA 225.A N THR 221.A O no hydrogen 2.976 N/A ILE 226.A N VAL 222.A O no hydrogen 2.928 N/A GLN 227.A N LYS 223.A O no hydrogen 2.980 N/A GLN 229.A N ILE 226.A O no hydrogen 2.884 N/A ASN 230.A N GLN 227.A O no hydrogen 3.071 N/A