Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3le8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 1.A N ASP 20.A OD2 no hydrogen 3.555 N/A HIS 5.A N ASN 10.A OD1 no hydrogen 2.814 N/A GLY 7.A N GLU 97.A OE2 no hydrogen 2.851 N/A GLU 8.A N HIS 5.A O no hydrogen 3.129 N/A ASN 10.A N GLU 97.A O no hydrogen 2.939 N/A ASN 10.A ND2 HIS 5.A O no hydrogen 2.800 N/A ASN 10.A ND2 GLU 97.A O no hydrogen 2.910 N/A TYR 12.A N ALA 99.A O no hydrogen 3.023 N/A TYR 12.A OH ALA 3.A O no hydrogen 2.730 N/A SER 13.A OG.A THR 101.A O no hydrogen 3.215 N/A SER 13.A OG.A THR 101.A OG1 no hydrogen 3.280 N/A VAL 18.A N ALA 14.A O no hydrogen 3.366 N/A ALA 19.A N PRO 15.A O no hydrogen 2.948 N/A ASP 20.A N GLY 16.A O no hydrogen 3.034 N/A VAL 21.A N ASP 17.A O no hydrogen 3.083 N/A SER 22.A N VAL 18.A O no hydrogen 2.872 N/A SER 22.A OG VAL 148.A O no hydrogen 2.575 N/A ARG 23.A N.A ALA 19.A O no hydrogen 2.952 N/A ARG 23.A N.B ALA 19.A O no hydrogen 2.949 N/A ARG 23.A NH1.A ILE 147.A O no hydrogen 3.438 N/A ARG 23.A NH1.A VAL 148.A O no hydrogen 3.166 N/A ARG 23.A NH2.A ILE 147.A O no hydrogen 2.621 N/A ARG 23.A NH2.B ILE 147.A O no hydrogen 3.143 N/A ALA 24.A N ASP 20.A O no hydrogen 2.891 N/A LEU 25.A N VAL 21.A O no hydrogen 2.866 N/A ARG 26.A N SER 22.A O no hydrogen 2.899 N/A ARG 26.A NE.B ASP 151.A OD1 no hydrogen 2.791 N/A ARG 26.A NH2.B ASP 151.A OD1 no hydrogen 2.870 N/A LEU 27.A N ARG 23.A O.A no hydrogen 2.964 N/A LEU 27.A N ARG 23.A O.B no hydrogen 3.182 N/A THR 28.A N ALA 24.A O no hydrogen 3.223 N/A THR 28.A N LEU 25.A O no hydrogen 3.036 N/A THR 28.A OG1 LEU 25.A O no hydrogen 3.103 N/A GLY 29.A N ARG 26.A O no hydrogen 3.013 N/A ARG 30.A N LEU 25.A O no hydrogen 3.171 N/A ARG 30.A NE GLY 57.A O no hydrogen 3.521 N/A ARG 30.A NH2 SER 58.A O no hydrogen 2.496 N/A ARG 30.A NH2 GLU 97.A OE1 no hydrogen 3.125 N/A ARG 31.A N GLY 57.A O no hydrogen 3.173 N/A ARG 31.A NH1.B PRO 56.A O no hydrogen 2.406 N/A VAL 32.A N ASP 151.A OD2 no hydrogen 2.892 N/A MET 33.A N VAL 59.A O no hydrogen 2.907 N/A LEU 34.A N ARG 152.A O no hydrogen 3.023 N/A VAL 35.A N VAL 61.A O no hydrogen 2.927 N/A THR 37.A OG1 SER 63.A O no hydrogen 2.761 N/A GLY 39.A N THR 37.A OG1 no hydrogen 3.018 N/A ALA 40.A N ASP 87.A OD2 no hydrogen 3.086 N/A LEU 41.A N ASP 87.A OD1 no hydrogen 2.937 N/A HIS 42.A N HIS 45.A ND1 no hydrogen 3.027 N/A GLY 44.A N HIS 42.A ND1 no hydrogen 2.919 N/A LEU 46.A N HIS 42.A O no hydrogen 3.055 N/A ALA 47.A N GLU 43.A O no hydrogen 2.893 N/A LEU 48.A N GLY 44.A O no hydrogen 3.272 N/A VAL 49.A N HIS 45.A O no hydrogen 3.044 N/A ARG 50.A N LEU 46.A O no hydrogen 2.825 N/A ARG 50.A NE GLU 94.A OE1 no hydrogen 3.029 N/A ARG 50.A NH1 GLU 43.A OE1.B no hydrogen 3.006 N/A ARG 50.A NH1 GLU 43.A OE2.A no hydrogen 2.905 N/A ARG 50.A NH1 GLU 43.A OE2.B no hydrogen 2.891 N/A ARG 50.A NH2 GLU 43.A OE2.A no hydrogen 3.330 N/A ARG 50.A NH2 GLU 43.A OE2.B no hydrogen 2.716 N/A ARG 50.A NH2 GLU 94.A OE2 no hydrogen 2.828 N/A ALA 51.A N ALA 47.A O no hydrogen 3.051 N/A ALA 52.A N LEU 48.A O no hydrogen 2.933 N/A LYS 53.A N VAL 49.A O no hydrogen 2.810 N/A LYS 53.A NZ GLY 95.A O no hydrogen 3.521 N/A ARG 54.A N ARG 50.A O no hydrogen 3.017 N/A VAL 55.A N ALA 52.A O no hydrogen 3.260 N/A SER 58.A N VAL 55.A O no hydrogen 2.970 N/A SER 58.A OG ALA 52.A O no hydrogen 3.291 N/A SER 58.A OG LYS 53.A O no hydrogen 3.221 N/A SER 58.A OG VAL 55.A O no hydrogen 2.811 N/A VAL 59.A N ARG 31.A O no hydrogen 2.793 N/A VAL 61.A N MET 33.A O no hydrogen 2.657 N/A VAL 62.A N ILE 98.A O no hydrogen 2.845 N/A SER 63.A N VAL 35.A O no hydrogen 3.070 N/A ILE 64.A N PHE 100.A O no hydrogen 2.884 N/A PHE 65.A N THR 37.A O no hydrogen 3.195 N/A ASN 67.A ND2 GLY 136.A O no hydrogen 2.886 N/A MET 69.A N ASN 67.A OD1 no hydrogen 3.270 N/A GLN 70.A N ASN 67.A O no hydrogen 3.423 N/A PHE 71.A N PRO 68.A O no hydrogen 3.192 N/A ALA 79.A N GLY 75.A O no hydrogen 2.809 N/A TYR 80.A N LEU 77.A O no hydrogen 3.425 N/A ARG 82.A NH1 LEU 77.A O no hydrogen 2.901 N/A ARG 82.A NH2 LEU 77.A O no hydrogen 3.057 N/A THR 83.A OG1 ASP 87.A OD1 no hydrogen 3.118 N/A ASP 87.A N THR 83.A O no hydrogen 2.923 N/A LEU 88.A N PRO 84.A O no hydrogen 3.075 N/A ALA 89.A N ASP 85.A O no hydrogen 3.277 N/A GLN 90.A N ASP 86.A O no hydrogen 2.975 N/A GLN 90.A NE2 LEU 41.A O no hydrogen 3.045 N/A LEU 91.A N ASP 87.A O no hydrogen 3.118 N/A ARG 92.A N LEU 88.A O no hydrogen 2.895 N/A ALA 93.A N ALA 89.A O no hydrogen 3.049 N/A GLU 94.A N GLN 90.A O no hydrogen 3.030 N/A GLU 94.A N LEU 91.A O no hydrogen 3.108 N/A GLY 95.A N ARG 92.A O no hydrogen 3.035 N/A VAL 96.A N LEU 91.A O no hydrogen 3.213 N/A ILE 98.A N VAL 60.A O no hydrogen 3.300 N/A ALA 99.A N ASN 10.A O no hydrogen 2.830 N/A PHE 100.A N VAL 62.A O no hydrogen 2.906 N/A THR 101.A N TYR 12.A O no hydrogen 2.942 N/A THR 101.A OG1 SER 13.A OG.A no hydrogen 3.280 N/A ALA 106.A N THR 103.A O no hydrogen 3.138 N/A ALA 106.A N THR 103.A OG1 no hydrogen 2.984 N/A MET 107.A N THR 103.A O no hydrogen 3.125 N/A TYR 108.A N THR 104.A O no hydrogen 2.787 N/A TYR 108.A OH ASN 67.A OD1 no hydrogen 2.693 N/A GLY 111.A N TYR 108.A O no hydrogen 3.134 N/A VAL 116.A N THR 139.A OG1 no hydrogen 2.902 N/A GLN 117.A NE2 PRO 118.A O no hydrogen 3.530 N/A ALA 122.A N GLY 119.A O no hydrogen 3.112 N/A ALA 123.A N PRO 120.A O no hydrogen 3.127 N/A GLU 124.A N LEU 121.A O no hydrogen 3.072 N/A GLU 126.A N GLN 161.A OE1 no hydrogen 3.111 N/A GLY 127.A N GLU 124.A O no hydrogen 2.921 N/A GLY 128.A N LEU 125.A O no hydrogen 3.199 N/A ARG 130.A N GLY 127.A O no hydrogen 3.044 N/A ARG 130.A NH1 GLU 126.A O no hydrogen 3.078 N/A HIS 133.A N ARG 130.A O no hydrogen 3.098 N/A HIS 133.A ND1 GLN 70.A O no hydrogen 2.697 N/A GLY 136.A N THR 132.A O no hydrogen 3.149 N/A VAL 137.A N HIS 133.A O no hydrogen 3.140 N/A LEU 138.A N PHE 134.A O no hydrogen 2.912 N/A THR 139.A N ALA 135.A O no hydrogen 3.020 N/A THR 139.A OG1 ALA 135.A O no hydrogen 2.683 N/A VAL 140.A N GLY 136.A O no hydrogen 3.106 N/A VAL 141.A N VAL 137.A O no hydrogen 2.938 N/A LEU 142.A N LEU 138.A O no hydrogen 2.879 N/A LYS 143.A N THR 139.A O no hydrogen 2.987 N/A LYS 143.A NZ MET 107.A O no hydrogen 2.760 N/A LEU 144.A N VAL 140.A O no hydrogen 2.910 N/A LEU 145.A N VAL 141.A O no hydrogen 2.856 N/A GLN 146.A N LEU 142.A O no hydrogen 3.054 N/A ILE 147.A N LYS 143.A O no hydrogen 2.894 N/A VAL 148.A N LEU 144.A O no hydrogen 2.978 N/A ARG 149.A N LEU 145.A O no hydrogen 2.861 N/A ARG 149.A NH2 ASP 176.A OD2.B no hydrogen 3.422 N/A ASP 151.A N VAL 32.A O no hydrogen 2.793 N/A VAL 153.A N ALA 178.A O no hydrogen 2.884 N/A PHE 154.A N LEU 34.A O no hydrogen 2.923 N/A PHE 155.A N VAL 180.A O no hydrogen 2.914 N/A GLU 157.A N VAL 182.A O no hydrogen 2.931 N/A LYS 158.A NZ.A LEU 278.A O no hydrogen 3.508 N/A TYR 160.A OH ILE 253.A O no hydrogen 2.526 N/A GLN 161.A NE2 LEU 121.A O no hydrogen 2.827 N/A GLN 161.A NE2 GLU 124.A O no hydrogen 2.900 N/A LEU 163.A N ASP 159.A O no hydrogen 3.036 N/A VAL 164.A N TYR 160.A O no hydrogen 2.896 N/A LEU 165.A N GLN 161.A O no hydrogen 3.049 N/A ILE 166.A N GLN 162.A O no hydrogen 2.859 N/A ARG 167.A N LEU 163.A O no hydrogen 2.940 N/A ARG 167.A NH1 VAL 179.A O no hydrogen 3.021 N/A GLN 168.A N VAL 164.A O no hydrogen 2.931 N/A LEU 169.A N LEU 165.A O no hydrogen 2.932 N/A VAL 170.A N ILE 166.A O no hydrogen 2.980 N/A ALA 171.A N ARG 167.A O no hydrogen 2.966 N/A ASP 172.A N GLN 168.A O no hydrogen 2.724 N/A PHE 173.A N LEU 169.A O no hydrogen 2.968 N/A ASN 174.A N ALA 171.A O no hydrogen 3.248 N/A LEU 175.A N VAL 170.A O no hydrogen 2.859 N/A ALA 178.A N ASP 151.A O no hydrogen 2.943 N/A VAL 180.A N VAL 153.A O no hydrogen 2.912 N/A VAL 182.A N PHE 155.A O no hydrogen 2.814 N/A ARG 186.A NH1 GLY 190.A O no hydrogen 2.820 N/A ARG 186.A NH1 ASP 279.A OD1 no hydrogen 3.450 N/A ARG 186.A NH1 ASP 279.A OD2 no hydrogen 2.795 N/A ARG 186.A NH2 ASP 279.A OD1 no hydrogen 2.839 N/A GLU 187.A N LEU 191.A O no hydrogen 2.815 N/A GLY 190.A N GLU 187.A O no hydrogen 2.787 N/A LEU 191.A N ASP 189.A OD1 no hydrogen 3.123 N/A MET 193.A N VAL 185.A O no hydrogen 2.967 N/A MET 193.A SD.B GLU 187.A OE2 no hydrogen 3.217 N/A MET 193.A SD.C GLU 187.A OE2 no hydrogen 3.286 N/A SER 195.A OG.A TYR 80.A OH no hydrogen 3.071 N/A SER 195.A OG.B ALA 40.A O no hydrogen 2.932 N/A ARG 196.A N SER 194.A OG no hydrogen 2.933 N/A ARG 196.A NH1 ARG 276.A O no hydrogen 2.952 N/A ASN 197.A N SER 194.A O no hydrogen 3.156 N/A ASN 197.A ND2 ALA 192.A O no hydrogen 2.967 N/A ARG 198.A NE SER 195.A O no hydrogen 2.779 N/A TYR 199.A N ARG 196.A O no hydrogen 3.029 N/A LEU 200.A N ASN 197.A O no hydrogen 3.190 N/A ASP 201.A N GLN 204.A OE1 no hydrogen 2.690 N/A GLN 204.A N ASP 201.A OD1 no hydrogen 2.792 N/A ARG 205.A N ASP 201.A O no hydrogen 2.751 N/A ARG 205.A NH1 ASP 189.A OD2 no hydrogen 2.733 N/A ARG 205.A NH1 ARG 205.A O no hydrogen 3.016 N/A ARG 205.A NH2 ASP 189.A OD1 no hydrogen 3.066 N/A ARG 205.A NH2 ASP 189.A OD2 no hydrogen 3.376 N/A ALA 206.A N PRO 202.A O no hydrogen 3.066 N/A ALA 207.A N ALA 203.A O no hydrogen 3.044 N/A ALA 208.A N GLN 204.A O no hydrogen 2.764 N/A ALA 210.A N ALA 207.A O no hydrogen 3.018 N/A LEU 211.A N ALA 208.A O no hydrogen 3.181 N/A SER 212.A OG VAL 209.A O no hydrogen 3.155 N/A ALA 213.A N VAL 209.A O no hydrogen 2.949 N/A ALA 214.A N ALA 210.A O no hydrogen 2.772 N/A LEU 215.A N LEU 211.A O no hydrogen 3.051 N/A THR 216.A N SER 212.A O no hydrogen 2.927 N/A THR 216.A OG1.A SER 212.A O no hydrogen 3.083 N/A THR 216.A OG1.A ALA 213.A O no hydrogen 3.092 N/A THR 216.A OG1.B SER 212.A O no hydrogen 2.536 N/A ALA 217.A N ALA 213.A O no hydrogen 2.923 N/A ALA 218.A N ALA 214.A O no hydrogen 2.898 N/A ALA 219.A N LEU 215.A O no hydrogen 2.974 N/A HIS 220.A N THR 216.A O no hydrogen 3.152 N/A ALA 221.A N ALA 217.A O no hydrogen 2.831 N/A ALA 224.A N ALA 221.A O no hydrogen 2.849 N/A GLY 225.A N ALA 222.A O no hydrogen 2.887 N/A GLN 227.A NE2 ASP 231.A OD1 no hydrogen 2.934 N/A GLN 227.A NE2 ASP 231.A OD2 no hydrogen 3.175 N/A ALA 229.A N GLY 225.A O no hydrogen 3.163 N/A LEU 230.A N ALA 226.A O no hydrogen 2.953 N/A ASP 231.A N GLN 227.A O no hydrogen 2.783 N/A ALA 232.A N ALA 228.A O no hydrogen 2.925 N/A ALA 233.A N ALA 229.A O no hydrogen 3.104 N/A ARG 234.A N LEU 230.A O no hydrogen 2.909 N/A ALA 235.A N ASP 231.A O no hydrogen 2.910 N/A VAL 236.A N ALA 232.A O no hydrogen 3.104 N/A LEU 237.A N ALA 233.A O no hydrogen 3.063 N/A ASP 238.A N ARG 234.A O no hydrogen 2.759 N/A ALA 239.A N ALA 235.A O no hydrogen 3.020 N/A ALA 239.A N VAL 236.A O no hydrogen 3.197 N/A ALA 240.A N LEU 237.A O no hydrogen 3.093 N/A VAL 243.A N ALA 240.A O no hydrogen 3.456 N/A ALA 244.A N ARG 271.A O no hydrogen 2.773 N/A ASP 246.A N.A ALA 269.A O no hydrogen 2.902 N/A ASP 246.A N.B ALA 269.A O no hydrogen 2.886 N/A TYR 247.A N ALA 269.A O no hydrogen 3.391 N/A TYR 247.A OH GLU 126.A OE2 no hydrogen 2.686 N/A GLU 249.A N LEU 267.A O no hydrogen 2.909 N/A ARG 251.A N ARG 265.A O no hydrogen 2.899 N/A ARG 251.A NE.A GLU 249.A OE1 no hydrogen 2.964 N/A ARG 251.A NE.B LEU 255.A O no hydrogen 3.292 N/A ARG 251.A NH1.A GLU 124.A OE1 no hydrogen 3.343 N/A ARG 251.A NH1.A LEU 255.A O no hydrogen 3.229 N/A ARG 251.A NH1.B GLU 124.A OE1 no hydrogen 3.384 N/A ARG 251.A NH1.B GLU 249.A OE1 no hydrogen 3.506 N/A ARG 251.A NH2.A GLU 124.A OE1 no hydrogen 2.864 N/A ARG 251.A NH2.A GLU 249.A OE1 no hydrogen 3.071 N/A ARG 251.A NH2.B LEU 255.A O no hydrogen 2.183 N/A GLY 254.A N ASP 252.A OD2 no hydrogen 3.108 N/A LEU 255.A N ASP 252.A O no hydrogen 2.778 N/A GLY 264.A N ILE 283.A O no hydrogen 2.820 N/A ARG 265.A N ARG 251.A O no hydrogen 2.763 N/A ARG 265.A NE ASN 280.A OD1 no hydrogen 2.681 N/A ARG 265.A NH2 GLU 157.A OE1 no hydrogen 3.087 N/A ARG 265.A NH2 ASN 280.A OD1 no hydrogen 2.712 N/A LEU 266.A N ILE 281.A O no hydrogen 2.913 N/A LEU 267.A N GLU 249.A O no hydrogen 2.865 N/A VAL 268.A N ASP 279.A O no hydrogen 2.980 N/A ALA 269.A N TYR 247.A O no hydrogen 3.168 N/A ALA 270.A N LEU 277.A O no hydrogen 2.924 N/A ARG 271.A N ALA 244.A O no hydrogen 2.734 N/A ARG 271.A NE.A ASP 246.A OD1.A no hydrogen 2.739 N/A ARG 271.A NE.A ASP 246.A OD2.A no hydrogen 3.159 N/A ARG 271.A NH1.C ASP 246.A OD1.A no hydrogen 2.498 N/A ARG 271.A NH2.A ASP 246.A OD1.A no hydrogen 2.852 N/A ARG 271.A NH2.B ASP 246.A OD2.A no hydrogen 2.979 N/A LEU 272.A N THR 275.A O no hydrogen 2.822 N/A THR 275.A N LEU 272.A O no hydrogen 3.034 N/A THR 275.A OG1 TYR 199.A O no hydrogen 3.497 N/A ARG 276.A NE ASP 246.A OD2.A no hydrogen 3.108 N/A ARG 276.A NE ASP 246.A OD2.B no hydrogen 3.079 N/A ARG 276.A NH1 GLU 126.A OE1 no hydrogen 2.647 N/A ARG 276.A NH1 GLU 126.A OE2 no hydrogen 3.450 N/A ARG 276.A NH2 GLU 126.A OE2 no hydrogen 2.716 N/A ARG 276.A NH2 ASP 246.A OD2.B no hydrogen 3.128 N/A LEU 277.A N ALA 270.A O no hydrogen 2.769 N/A ASP 279.A N VAL 268.A O no hydrogen 3.064 N/A ASN 280.A N ASP 279.A OD1 no hydrogen 2.724 N/A ASN 280.A ND2 GLU 157.A O no hydrogen 3.014 N/A ILE 281.A N LEU 266.A O no hydrogen 2.939 N/A ILE 283.A N GLY 264.A O no hydrogen 3.058 N/A ILE 285.A N GLY 262.A O no hydrogen 3.013 N/A GLY 286.A N ALA 222.A O no hydrogen 3.015 N/A PHE 288.A N ILE 285.A O no hydrogen 3.393 N/A