Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4toi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 VAL 3.A O no hydrogen 3.166 N/A THR 2.A OG1 ASN 50.A OD1 no hydrogen 2.781 N/A ASP 7.A N SER 4.A OG no hydrogen 3.126 N/A MET 8.A N SER 4.A O no hydrogen 3.044 N/A LEU 9.A N MET 5.A O no hydrogen 2.839 N/A LYS 10.A N ARG 6.A O no hydrogen 3.074 N/A ALA 11.A N ASP 7.A O no hydrogen 3.203 N/A ALA 11.A N MET 8.A O no hydrogen 3.242 N/A GLY 12.A N LEU 9.A O no hydrogen 3.092 N/A VAL 13.A N MET 8.A O no hydrogen 2.958 N/A HIS 14.A N HIS 14.A ND1 no hydrogen 2.869 N/A PHE 15.A N GLY 12.A O no hydrogen 3.135 N/A GLY 16.A N HIS 38.A O no hydrogen 2.949 N/A HIS 17.A N THR 188.A OG1 no hydrogen 2.894 N/A THR 19.A N LYS 36.A O no hydrogen 2.950 N/A ARG 20.A NE GLN 18.A OE1 no hydrogen 3.027 N/A ARG 20.A NH2 GLN 18.A OE1 no hydrogen 3.313 N/A TYR 21.A N GLN 18.A O no hydrogen 2.992 N/A TRP 22.A N THR 19.A O no hydrogen 3.105 N/A ASN 23.A N THR 188.A O no hydrogen 2.961 N/A LYS 25.A N ASN 23.A OD1 no hydrogen 3.079 N/A LYS 25.A NZ ASP 191.A OD1 no hydrogen 3.511 N/A LYS 25.A NZ ASP 191.A OD2 no hydrogen 3.058 N/A LYS 25.A NZ ASP 193.A OD2 no hydrogen 2.775 N/A MET 26.A N ASN 23.A O no hydrogen 2.883 N/A LYS 27.A N PRO 24.A O no hydrogen 3.122 N/A PHE 29.A N MET 26.A O no hydrogen 2.866 N/A ILE 30.A N LYS 27.A O no hydrogen 3.149 N/A PHE 31.A N ILE 39.A O no hydrogen 2.694 N/A ARG 34.A N VAL 37.A O no hydrogen 2.876 N/A ARG 34.A NH1 ALA 33.A O no hydrogen 3.222 N/A VAL 37.A N ARG 34.A O no hydrogen 2.902 N/A HIS 38.A N HIS 17.A O no hydrogen 3.083 N/A ILE 39.A N GLY 32.A O no hydrogen 2.696 N/A ILE 40.A N HIS 14.A O no hydrogen 2.857 N/A ASN 41.A N PHE 29.A O no hydrogen 2.831 N/A GLU 43.A N ASN 41.A OD1 no hydrogen 3.122 N/A LYS 44.A N ASN 41.A O no hydrogen 2.882 N/A LYS 44.A NZ PRO 28.A O no hydrogen 3.477 N/A THR 45.A N ASN 41.A O no hydrogen 3.203 N/A THR 45.A OG1 PRO 200.A O no hydrogen 2.770 N/A VAL 46.A N LEU 42.A O no hydrogen 3.009 N/A MET 48.A N LYS 44.A O no hydrogen 3.156 N/A PHE 49.A N THR 45.A O no hydrogen 2.755 N/A ASN 50.A N VAL 46.A O no hydrogen 2.977 N/A GLU 51.A N PRO 47.A O no hydrogen 3.047 N/A ALA 52.A N MET 48.A O no hydrogen 3.060 N/A LEU 53.A N PHE 49.A O no hydrogen 2.788 N/A ALA 54.A N ASN 50.A O no hydrogen 2.859 N/A GLU 55.A N GLU 51.A O no hydrogen 3.346 N/A LEU 56.A N ALA 52.A O no hydrogen 3.063 N/A ASN 57.A N LEU 53.A O no hydrogen 2.932 N/A LYS 58.A N ALA 54.A O no hydrogen 3.111 N/A ILE 59.A N GLU 55.A O no hydrogen 2.951 N/A ALA 60.A N LEU 56.A O no hydrogen 2.972 N/A SER 61.A N ASN 57.A O no hydrogen 2.998 N/A SER 61.A N LYS 58.A O no hydrogen 3.139 N/A SER 61.A OG LYS 58.A O no hydrogen 2.819 N/A ARG 62.A N ILE 59.A O no hydrogen 3.337 N/A LYS 63.A N ALA 60.A O no hydrogen 3.177 N/A GLY 64.A N ILE 59.A O no hydrogen 2.906 N/A LYS 65.A N ASP 158.A OD2 no hydrogen 2.720 N/A LYS 65.A NZ MET 153.A O no hydrogen 3.479 N/A ILE 66.A N GLN 88.A OE1 no hydrogen 2.909 N/A LEU 67.A N ALA 159.A O no hydrogen 3.023 N/A PHE 68.A N PHE 89.A O no hydrogen 2.890 N/A VAL 69.A N PHE 161.A O no hydrogen 2.759 N/A GLY 70.A N VAL 91.A O no hydrogen 3.073 N/A THR 71.A N GLU 168.A OE2 no hydrogen 3.049 N/A THR 71.A OG1 HIS 167.A NE2 no hydrogen 3.351 N/A THR 71.A OG1 GLU 168.A OE2 no hydrogen 2.698 N/A LYS 72.A NZ ASP 164.A OD2 no hydrogen 2.718 N/A LYS 72.A NZ ASP 203.A O no hydrogen 2.909 N/A LYS 72.A NZ ASP 204.A OD1 no hydrogen 3.259 N/A ALA 75.A N LYS 72.A O no hydrogen 3.040 N/A SER 76.A N LYS 72.A O no hydrogen 2.970 N/A SER 76.A OG ASN 92.A O no hydrogen 2.600 N/A VAL 79.A N ALA 75.A O no hydrogen 2.872 N/A ASP 81.A N GLU 77.A O no hydrogen 3.148 N/A ALA 82.A N ALA 78.A O no hydrogen 2.831 N/A ALA 83.A N VAL 79.A O no hydrogen 3.026 N/A LEU 84.A N LYS 80.A O no hydrogen 3.001 N/A SER 85.A N ASP 81.A O no hydrogen 3.055 N/A SER 85.A OG ALA 82.A O no hydrogen 2.585 N/A CYS 86.A N ALA 83.A O no hydrogen 3.294 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.440 N/A CYS 86.A SG ALA 83.A O no hydrogen 3.876 N/A ASP 87.A N LEU 84.A O no hydrogen 3.228 N/A GLN 88.A N ALA 83.A O no hydrogen 2.836 N/A GLN 88.A NE2 CYS 86.A O no hydrogen 3.151 N/A PHE 89.A N ILE 66.A O no hydrogen 3.217 N/A PHE 90.A N GLY 149.A O no hydrogen 3.258 N/A VAL 91.A N PHE 68.A O no hydrogen 2.905 N/A ASN 92.A ND2 SER 76.A O no hydrogen 2.995 N/A HIS 93.A ND1.A ASN 145.A O no hydrogen 2.996 N/A TRP 95.A NE1 GLU 174.A OE2 no hydrogen 2.955 N/A GLY 98.A N GLU 174.A OE2 no hydrogen 2.814 N/A MET 99.A N LEU 96.A O no hydrogen 3.010 N/A LEU 100.A N GLU 174.A OE1 no hydrogen 2.852 N/A THR 101.A N GLU 174.A OE1 no hydrogen 2.940 N/A THR 101.A OG1 GLU 174.A OE1 no hydrogen 3.385 N/A ASN 102.A N.A GLY 98.A O no hydrogen 2.790 N/A ASN 102.A N.B GLY 98.A O no hydrogen 2.775 N/A LYS 104.A NZ ASN 102.A OD1.A no hydrogen 2.981 N/A LYS 104.A NZ THR 105.A OG1 no hydrogen 3.353 N/A THR 105.A N ASN 102.A O.A no hydrogen 3.063 N/A THR 105.A N ASN 102.A O.B no hydrogen 3.035 N/A VAL 106.A N ASN 102.A O.A no hydrogen 3.296 N/A VAL 106.A N ASN 102.A O.B no hydrogen 3.275 N/A ARG 107.A N TRP 103.A O no hydrogen 2.964 N/A SER 109.A N THR 105.A O no hydrogen 3.041 N/A ILE 110.A N VAL 106.A O no hydrogen 2.919 N/A ILE 110.A N ARG 107.A O no hydrogen 3.258 N/A LYS 111.A N ARG 107.A O no hydrogen 3.460 N/A ARG 112.A N GLN 108.A O no hydrogen 3.020 N/A ARG 112.A NE GLU 139.A OE2 no hydrogen 2.818 N/A ARG 112.A NH2 GLU 139.A OE1 no hydrogen 2.611 N/A ARG 112.A NH2 GLU 139.A OE2 no hydrogen 3.525 N/A LEU 113.A N SER 109.A O no hydrogen 2.967 N/A LYS 114.A N ILE 110.A O no hydrogen 3.054 N/A LYS 114.A NZ LYS 151.A O no hydrogen 3.157 N/A ASP 115.A N LYS 111.A O no hydrogen 2.940 N/A LEU 116.A N ARG 112.A O no hydrogen 3.026 N/A GLU 117.A N LEU 113.A O no hydrogen 2.853 N/A THR 118.A N LYS 114.A O no hydrogen 3.087 N/A THR 118.A OG1 LYS 114.A O no hydrogen 3.123 N/A GLN 119.A N ASP 115.A O no hydrogen 2.925 N/A SER 120.A N LEU 116.A O no hydrogen 3.073 N/A SER 120.A OG LEU 116.A O no hydrogen 3.514 N/A SER 120.A OG GLU 117.A O no hydrogen 2.982 N/A GLN 121.A N THR 118.A O no hydrogen 2.989 N/A ASP 122.A N THR 118.A O no hydrogen 2.909 N/A THR 124.A N GLN 119.A O no hydrogen 3.194 N/A THR 124.A N ASP 122.A OD1 no hydrogen 3.310 N/A THR 124.A OG1 ASP 122.A OD1 no hydrogen 2.803 N/A ASP 126.A N GLY 123.A O no hydrogen 3.217 N/A LYS 127.A N THR 124.A O no hydrogen 3.262 N/A LEU 128.A N PHE 125.A O no hydrogen 3.408 N/A THR 129.A N GLU 132.A OE1 no hydrogen 3.415 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.290 N/A ALA 133.A N THR 129.A O no hydrogen 2.878 N/A LEU 134.A N LYS 130.A O no hydrogen 2.998 N/A MET 135.A N LYS 131.A O no hydrogen 3.382 N/A ARG 136.A N GLU 132.A O no hydrogen 3.183 N/A ARG 136.A NH1 GLN 119.A OE1 no hydrogen 2.786 N/A THR 137.A N ALA 133.A O no hydrogen 2.928 N/A THR 137.A OG1 ALA 133.A O no hydrogen 3.011 N/A ARG 138.A N LEU 134.A O no hydrogen 2.917 N/A GLU 139.A N MET 135.A O no hydrogen 3.068 N/A LEU 140.A N ARG 136.A O no hydrogen 2.928 N/A GLU 141.A N THR 137.A O no hydrogen 2.998 N/A LYS 142.A N ARG 138.A O no hydrogen 2.990 N/A LEU 143.A N GLU 139.A O no hydrogen 2.993 N/A GLU 144.A N LEU 140.A O no hydrogen 2.989 N/A ASN 145.A N GLU 141.A O no hydrogen 2.959 N/A SER 146.A N LYS 142.A O no hydrogen 3.219 N/A SER 146.A OG ARG 94.A O no hydrogen 3.474 N/A LEU 147.A N LEU 143.A O no hydrogen 2.766 N/A GLY 148.A N GLU 144.A O no hydrogen 2.948 N/A ILE 150.A N LEU 147.A O no hydrogen 2.950 N/A LYS 151.A NZ GLU 117.A OE1 no hydrogen 2.800 N/A MET 153.A N ILE 150.A O no hydrogen 2.938 N/A ASP 158.A N LYS 65.A O no hydrogen 2.808 N/A ALA 159.A N LYS 65.A O no hydrogen 3.390 N/A LEU 160.A N PRO 181.A O no hydrogen 3.048 N/A PHE 161.A N LEU 67.A O no hydrogen 2.901 N/A VAL 162.A N PHE 183.A O no hydrogen 2.781 N/A ILE 163.A N VAL 69.A O no hydrogen 2.949 N/A HIS 167.A N ASP 164.A OD1 no hydrogen 2.912 N/A GLU 168.A N ASP 164.A O no hydrogen 3.002 N/A HIS 169.A N ASP 166.A O no hydrogen 3.263 N/A HIS 169.A ND1 ASP 166.A O no hydrogen 3.134 N/A ILE 172.A N GLU 168.A O no hydrogen 3.209 N/A LYS 173.A N HIS 169.A O no hydrogen 3.015 N/A GLU 174.A N ILE 170.A O no hydrogen 3.108 N/A ALA 175.A N ALA 171.A O no hydrogen 3.004 N/A ASN 176.A N ILE 172.A O no hydrogen 2.907 N/A ASN 177.A N LYS 173.A O no hydrogen 3.075 N/A LEU 178.A N GLU 174.A O no hydrogen 3.092 N/A LEU 178.A N ALA 175.A O no hydrogen 2.998 N/A GLY 179.A N ASN 176.A O no hydrogen 3.064 N/A ILE 180.A N ALA 175.A O no hydrogen 2.970 N/A VAL 182.A N ASP 196.A OD2 no hydrogen 2.763 N/A PHE 183.A N LEU 160.A O no hydrogen 2.848 N/A ALA 184.A N PHE 197.A O no hydrogen 3.182 N/A ILE 185.A N VAL 162.A O no hydrogen 3.072 N/A VAL 186.A N ILE 199.A O no hydrogen 2.842 N/A THR 188.A N ASP 187.A OD1 no hydrogen 2.761 N/A SER 190.A N ASP 187.A O no hydrogen 3.217 N/A SER 190.A OG ASN 189.A OD1 no hydrogen 3.094 N/A ASP 191.A N ASP 166.A OD1 no hydrogen 3.035 N/A ASP 193.A N ASP 191.A OD1 no hydrogen 3.002 N/A VAL 195.A N PRO 192.A O no hydrogen 2.975 N/A ASP 196.A N VAL 182.A O no hydrogen 2.981 N/A PHE 197.A N VAL 182.A O no hydrogen 2.908 N/A ILE 199.A N ALA 184.A O no hydrogen 2.857 N/A GLY 201.A N VAL 186.A O no hydrogen 3.073 N/A ASN 202.A N VAL 13.A O no hydrogen 2.914 N/A ASN 202.A ND2 GLY 12.A O no hydrogen 2.978 N/A ASP 203.A N ASP 187.A OD2 no hydrogen 3.416 N/A ASP 204.A N ASN 202.A OD1 no hydrogen 2.870 N/A VAL 209.A N ALA 205.A O no hydrogen 2.877 N/A THR 210.A N ILE 206.A O no hydrogen 2.778 N/A THR 210.A OG1 ILE 206.A O no hydrogen 2.718 N/A LEU 211.A N ARG 207.A O no hydrogen 3.142 N/A TYR 212.A N ALA 208.A O no hydrogen 3.131 N/A TYR 212.A OH ASN 202.A O no hydrogen 2.658 N/A LEU 213.A N VAL 209.A O no hydrogen 3.108 N/A GLY 214.A N THR 210.A O no hydrogen 3.011 N/A ALA 215.A N LEU 211.A O no hydrogen 3.407 N/A VAL 216.A N TYR 212.A O no hydrogen 2.987 N/A ALA 217.A N LEU 213.A O no hydrogen 2.866 N/A ALA 218.A N GLY 214.A O no hydrogen 3.076 N/A THR 219.A N ALA 215.A O no hydrogen 3.136 N/A VAL 220.A N VAL 216.A O no hydrogen 3.014 N/A ARG 221.A N ALA 217.A O no hydrogen 2.950 N/A ARG 221.A NH1 SER 85.A O no hydrogen 3.179 N/A GLU 222.A N ALA 218.A O no hydrogen 2.935 N/A GLY 223.A N THR 219.A O no hydrogen 2.962 N/A ARG 224.A N VAL 220.A O no hydrogen 3.051 N/A SER 225.A N ARG 221.A O no hydrogen 3.039 N/A SER 225.A OG ARG 221.A O no hydrogen 3.211 N/A GLN 226.A N GLU 222.A O no hydrogen 2.919 N/A GLN 226.A NE2 GLY 223.A O no hydrogen 2.694 N/A ASP 227.A N SER 225.A OG no hydrogen 2.928 N/A ALA 229.A N GLU 222.A OE2 no hydrogen 3.091 N/A SER 230.A N GLN 226.A O no hydrogen 3.056 N/A SER 230.A OG GLN 226.A O no hydrogen 2.930 N/A GLN 231.A N ASP 227.A O no hydrogen 3.416 N/A ALA 232.A N LEU 228.A O no hydrogen 3.168 N/A GLU 234.A N GLN 231.A O no hydrogen 3.389 N/A GLN 239.A NE2 GLU 234.A OE1 no hydrogen 3.205 N/A GLU 241.A N GLU 241.A OE1 no hydrogen 2.735 N/A GLN 245.A N SER 242.A OG no hydrogen 2.992 N/A GLN 245.A NE2 GLU 249.A OE2 no hydrogen 2.823 N/A LEU 246.A N SER 242.A O no hydrogen 3.081 N/A PHE 247.A N PHE 243.A O no hydrogen 2.638 N/A GLU 248.A N ALA 244.A O no hydrogen 2.979 N/A GLU 249.A N GLN 245.A O no hydrogen 2.998 N/A SER 250.A N LEU 246.A O no hydrogen 3.073 N/A SER 250.A OG PHE 247.A O no hydrogen 2.729 N/A LEU 251.A N PHE 247.A O no hydrogen 3.184 N/A LEU 251.A N GLU 248.A O no hydrogen 3.285 N/A LYS 252.A N GLU 249.A O no hydrogen 3.163 N/A LYS 252.A NZ GLU 248.A OE1.A no hydrogen 3.000 N/A GLU 253.A N SER 250.A O no hydrogen 3.298 N/A VAL 259.A N VAL 305.A O no hydrogen 2.414 N/A ARG 260.A NH2 GLU 302.A OE2 no hydrogen 2.661 N/A GLY 261.A N VAL 303.A O no hydrogen 3.114 N/A VAL 262.A N ASP 274.A O no hydrogen 3.054 N/A VAL 263.A N ASP 301.A O no hydrogen 2.862 N/A VAL 264.A N LEU 272.A O no hydrogen 2.755 N/A ASP 267.A N VAL 270.A O no hydrogen 3.015 N/A VAL 270.A N ASP 267.A O no hydrogen 2.596 N/A VAL 271.A N ILE 283.A O no hydrogen 2.724 N/A LEU 272.A N ALA 265.A O no hydrogen 2.814 N/A VAL 273.A N SER 281.A O no hydrogen 2.623 N/A ASP 274.A N VAL 262.A O no hydrogen 2.886 N/A GLY 276.A N ASP 274.A OD1 no hydrogen 2.907 N/A SER 279.A OG GLU 280.A O no hydrogen 3.037 N/A GLU 280.A N GLU 280.A OE1 no hydrogen 2.779 N/A SER 281.A N VAL 273.A O no hydrogen 2.693 N/A ILE 283.A N VAL 271.A O no hydrogen 2.600 N/A GLN 287.A N.A PRO 284.A O no hydrogen 3.345 N/A GLN 287.A N.B PRO 284.A O no hydrogen 3.302 N/A PHE 288.A N ALA 285.A O no hydrogen 2.569 N/A LYS 289.A N GLU 286.A O no hydrogen 3.375 N/A LYS 289.A NZ ASP 269.A OD1 no hydrogen 3.541 N/A ASN 290.A N GLU 294.A O no hydrogen 2.988 N/A GLN 292.A N ASN 290.A OD1 no hydrogen 2.974 N/A GLY 293.A N ASN 290.A O no hydrogen 2.790 N/A GLU 294.A N ASN 290.A OD1 no hydrogen 2.994 N/A GLU 296.A N PHE 288.A O no hydrogen 3.149 N/A GLY 300.A N VAL 263.A O no hydrogen 2.989 N/A ASP 301.A N GLN 298.A O no hydrogen 2.803 N/A VAL 303.A N GLY 261.A O no hydrogen 3.097 N/A VAL 305.A N VAL 259.A O no hydrogen 2.865 N/A