Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3daq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N.A ASN 181.A O no hydrogen 3.543 N/A THR 1.A N.B ASN 181.A O no hydrogen 2.835 N/A HIS 2.A ND1 GLU 5.A OE2 no hydrogen 3.162 N/A HIS 2.A NE2 THR 180.A O no hydrogen 2.763 N/A GLY 6.A N GLN 202.A O no hydrogen 2.829 N/A VAL 7.A N GLN 217.A OE1 no hydrogen 2.825 N/A GLY 8.A N VAL 204.A O no hydrogen 2.815 N/A VAL 9.A N ALA 39.A O no hydrogen 2.926 N/A ALA 10.A N SER 206.A O no hydrogen 2.921 N/A LEU 11.A N ILE 41.A O no hydrogen 2.989 N/A THR 13.A OG1 ALA 47.A O no hydrogen 2.632 N/A THR 16.A N LYS 19.A O no hydrogen 2.955 N/A ASN 18.A N GLU 265.A OE1 no hydrogen 2.933 N/A LYS 19.A N THR 16.A O no hydrogen 3.077 N/A ASN 21.A N PRO 14.A O no hydrogen 2.906 N/A ASN 21.A ND2 THR 16.A OG1 no hydrogen 2.856 N/A ALA 24.A N ASN 21.A OD1 no hydrogen 2.948 N/A LEU 25.A N ASN 21.A O no hydrogen 2.954 N/A LYS 26.A N LEU 22.A O no hydrogen 2.938 N/A ALA 27.A N GLU 23.A O no hydrogen 2.958 N/A HIS 28.A N ALA 24.A O no hydrogen 2.838 N/A HIS 28.A NE2 ASN 210.A O no hydrogen 2.775 N/A VAL 29.A N LEU 25.A O no hydrogen 2.917 N/A ASN 30.A N LYS 26.A O no hydrogen 2.858 N/A PHE 31.A N ALA 27.A O no hydrogen 2.968 N/A LEU 32.A N HIS 28.A O no hydrogen 2.928 N/A LEU 33.A N VAL 29.A O no hydrogen 2.907 N/A GLU 34.A N ASN 30.A O no hydrogen 2.897 N/A ASN 35.A N PHE 31.A O no hydrogen 3.121 N/A ASN 35.A N LEU 32.A O no hydrogen 3.190 N/A ASN 35.A ND2 PHE 31.A O no hydrogen 2.884 N/A ASN 36.A N LEU 33.A O no hydrogen 3.423 N/A ALA 37.A N LEU 32.A O no hydrogen 3.113 N/A GLN 38.A N VAL 7.A O no hydrogen 2.819 N/A GLN 38.A NE2 ASN 36.A O no hydrogen 2.975 N/A ILE 40.A N PRO 73.A O no hydrogen 3.037 N/A ILE 41.A N VAL 9.A O no hydrogen 2.788 N/A VAL 42.A N ILE 75.A O no hydrogen 2.824 N/A ASN 43.A ND2 LYS 57.A O no hydrogen 2.937 N/A THR 45.A OG1 TYR 134.A OH no hydrogen 2.846 N/A THR 46.A OG1 ASN 248.A OD1 no hydrogen 2.890 N/A ALA 47.A N GLY 44.A O no hydrogen 3.075 N/A GLU 48.A N THR 45.A O no hydrogen 3.106 N/A SER 49.A N GLY 44.A O no hydrogen 3.286 N/A SER 49.A OG GLY 44.A O no hydrogen 3.453 N/A THR 51.A N GLU 48.A O no hydrogen 2.982 N/A THR 51.A OG1 GLU 48.A O no hydrogen 3.199 N/A LEU 52.A N SER 49.A O no hydrogen 3.251 N/A THR 53.A N GLU 56.A OE1 no hydrogen 2.828 N/A GLU 56.A N THR 53.A OG1 no hydrogen 2.975 N/A LYS 57.A N THR 53.A O no hydrogen 2.955 N/A GLU 58.A N THR 54.A O no hydrogen 2.966 N/A LEU 59.A N ASP 55.A O no hydrogen 2.967 N/A ILE 60.A N GLU 56.A O no hydrogen 2.860 N/A LEU 61.A N LYS 57.A O no hydrogen 2.938 N/A LYS 62.A N GLU 58.A O no hydrogen 2.970 N/A LYS 62.A NZ.A ASP 66.A OD1 no hydrogen 3.241 N/A LYS 62.A NZ.A LEU 96.A O no hydrogen 2.765 N/A LYS 62.A NZ.B ASP 66.A OD2 no hydrogen 2.868 N/A THR 63.A N LEU 59.A O no hydrogen 2.947 N/A THR 63.A OG1 LEU 59.A O no hydrogen 2.692 N/A VAL 64.A N ILE 60.A O no hydrogen 2.916 N/A ILE 65.A N LEU 61.A O no hydrogen 2.841 N/A ASP 66.A N LYS 62.A O no hydrogen 2.905 N/A LEU 67.A N THR 63.A O no hydrogen 3.047 N/A VAL 68.A N VAL 64.A O no hydrogen 2.893 N/A ASP 69.A N ILE 65.A O no hydrogen 2.901 N/A LYS 70.A NZ ASP 99.A OD1 no hydrogen 2.695 N/A ARG 71.A N VAL 68.A O no hydrogen 3.029 N/A VAL 74.A N ASP 99.A OD2 no hydrogen 2.821 N/A ILE 75.A N ILE 40.A O no hydrogen 2.885 N/A ALA 76.A N ALA 100.A O no hydrogen 2.862 N/A GLY 77.A N VAL 42.A O no hydrogen 2.747 N/A THR 78.A N MET 102.A O no hydrogen 3.166 N/A THR 78.A OG1 SER 90.A OG no hydrogen 2.764 N/A GLY 79.A N MET 102.A O no hydrogen 3.295 N/A THR 80.A N SER 86.A OG no hydrogen 2.852 N/A THR 80.A OG1 ASP 82.A O no hydrogen 3.295 N/A THR 80.A OG1 SER 86.A OG no hydrogen 3.241 N/A ASN 81.A ND2 TYR 107.A O no hydrogen 2.915 N/A ASP 82.A N THR 80.A OG1 no hydrogen 3.082 N/A THR 83.A OG1 HIS 119.A ND1 no hydrogen 2.760 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 2.968 N/A SER 86.A N ASP 82.A O no hydrogen 2.936 N/A SER 86.A OG THR 80.A O no hydrogen 3.499 N/A SER 86.A OG THR 80.A OG1 no hydrogen 3.241 N/A SER 86.A OG ASP 82.A O no hydrogen 2.807 N/A ILE 87.A N THR 83.A O no hydrogen 2.881 N/A GLN 88.A N GLU 84.A O no hydrogen 3.132 N/A GLN 88.A NE2 GLU 84.A O no hydrogen 3.369 N/A ALA 89.A N LYS 85.A O no hydrogen 2.965 N/A SER 90.A N SER 86.A O no hydrogen 2.973 N/A SER 90.A OG THR 78.A OG1 no hydrogen 2.764 N/A SER 90.A OG SER 86.A O no hydrogen 2.706 N/A ILE 91.A N ILE 87.A O no hydrogen 2.973 N/A GLN 92.A N GLN 88.A O no hydrogen 3.079 N/A ALA 93.A N ALA 89.A O no hydrogen 2.913 N/A LYS 94.A N SER 90.A O no hydrogen 3.002 N/A LYS 94.A NZ VAL 127.A O no hydrogen 2.896 N/A LYS 94.A NZ LYS 128.A O no hydrogen 2.980 N/A ALA 95.A N ILE 91.A O no hydrogen 3.000 N/A LEU 96.A N GLN 92.A O no hydrogen 2.955 N/A GLY 97.A N ALA 93.A O no hydrogen 3.269 N/A GLY 97.A N LYS 94.A O no hydrogen 2.978 N/A ALA 98.A N ALA 93.A O no hydrogen 3.086 N/A ASP 99.A N VAL 74.A O no hydrogen 2.910 N/A ILE 101.A N PRO 130.A O no hydrogen 2.918 N/A MET 102.A N ALA 76.A O no hydrogen 2.828 N/A LEU 103.A N VAL 132.A O no hydrogen 2.824 N/A THR 105.A N TYR 134.A O no hydrogen 3.120 N/A THR 105.A OG1 PRO 106.A O no hydrogen 2.959 N/A ASN 109.A N TYR 107.A O no hydrogen 2.783 N/A ASN 109.A ND2 ASN 81.A O no hydrogen 2.969 N/A GLN 113.A NE2 THR 143.A O no hydrogen 2.904 N/A GLY 115.A N ASN 112.A OD1 no hydrogen 2.837 N/A LEU 116.A N ASN 112.A O no hydrogen 2.967 N/A VAL 117.A N GLN 113.A O no hydrogen 3.091 N/A LYS 118.A N ARG 114.A O no hydrogen 3.036 N/A HIS 119.A N GLY 115.A O no hydrogen 2.802 N/A HIS 119.A ND1 THR 83.A OG1 no hydrogen 2.760 N/A PHE 120.A N LEU 116.A O no hydrogen 2.894 N/A GLU 121.A N VAL 117.A O no hydrogen 2.955 N/A ALA 122.A N LYS 118.A O no hydrogen 2.942 N/A ILE 123.A N HIS 119.A O no hydrogen 3.201 N/A ALA 124.A N PHE 120.A O no hydrogen 2.922 N/A ASP 125.A N GLU 121.A O no hydrogen 2.794 N/A ALA 126.A N ALA 122.A O no hydrogen 3.143 N/A VAL 127.A N ILE 123.A O no hydrogen 2.973 N/A LYS 128.A N ALA 124.A O no hydrogen 3.003 N/A VAL 131.A N TYR 157.A O no hydrogen 2.673 N/A VAL 132.A N ILE 101.A O no hydrogen 2.809 N/A LEU 133.A N ALA 160.A O no hydrogen 2.851 N/A TYR 134.A N LEU 103.A O no hydrogen 2.892 N/A TYR 134.A OH THR 45.A OG1 no hydrogen 2.846 N/A ASN 135.A N LYS 162.A O no hydrogen 2.973 N/A ASN 135.A ND2 THR 143.A OG1 no hydrogen 2.921 N/A ASN 135.A ND2 TYR 170.A OH no hydrogen 3.433 N/A ARG 139.A N VAL 136.A O no hydrogen 2.900 N/A ARG 139.A NH2 ASN 248.A O no hydrogen 2.947 N/A THR 140.A N VAL 136.A O no hydrogen 3.066 N/A THR 140.A OG1 VAL 136.A O no hydrogen 3.306 N/A THR 140.A OG1 MET 142.A O no hydrogen 2.978 N/A ASN 141.A N PRO 137.A O no hydrogen 2.779 N/A MET 142.A N THR 140.A OG1 no hydrogen 3.114 N/A GLU 145.A N GLN 113.A OE1 no hydrogen 2.949 N/A GLU 147.A N GLU 147.A OE2 no hydrogen 2.756 N/A THR 148.A OG1 GLN 113.A OE1 no hydrogen 2.640 N/A VAL 149.A N GLU 145.A O no hydrogen 2.960 N/A GLU 150.A N PRO 146.A O no hydrogen 2.947 N/A ILE 151.A N GLU 147.A O no hydrogen 3.144 N/A LEU 152.A N THR 148.A O no hydrogen 2.913 N/A SER 153.A N VAL 149.A O no hydrogen 2.789 N/A SER 153.A OG GLU 150.A O no hydrogen 2.746 N/A GLN 154.A N ILE 151.A O no hydrogen 3.214 N/A GLN 154.A NE2 GLU 150.A O no hydrogen 3.506 N/A GLN 154.A NE2 SER 153.A OG no hydrogen 3.359 N/A HIS 155.A N LEU 152.A O no hydrogen 2.999 N/A HIS 155.A NE2 ASP 125.A OD1 no hydrogen 2.744 N/A TYR 157.A N HIS 155.A ND1 no hydrogen 3.147 N/A ILE 158.A N HIS 155.A O no hydrogen 3.124 N/A VAL 159.A N VAL 131.A O no hydrogen 2.927 N/A LEU 161.A N ALA 184.A O no hydrogen 2.901 N/A LYS 162.A N LEU 133.A O no hydrogen 2.708 N/A ASP 163.A N TYR 186.A O no hydrogen 2.735 N/A ALA 164.A N ASN 135.A O no hydrogen 2.839 N/A THR 165.A N ASP 163.A OD1 no hydrogen 3.046 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.761 N/A ASP 167.A N THR 165.A OG1 no hydrogen 3.134 N/A TYR 170.A N ASP 167.A OD1 no hydrogen 2.997 N/A TYR 170.A OH ILE 144.A O no hydrogen 2.742 N/A LEU 171.A N ASP 167.A O no hydrogen 3.040 N/A GLU 172.A N PHE 168.A O no hydrogen 3.120 N/A GLU 173.A N GLU 169.A O no hydrogen 2.960 N/A VAL 174.A N TYR 170.A O no hydrogen 2.856 N/A LYS 175.A N LEU 171.A O no hydrogen 2.839 N/A LYS 175.A NZ GLU 172.A OE1 no hydrogen 3.022 N/A LYS 175.A NZ GLU 172.A OE2 no hydrogen 3.036 N/A LYS 175.A NZ ARG 199.A O no hydrogen 2.648 N/A LYS 176.A N GLU 172.A O no hydrogen 3.124 N/A LYS 176.A NZ GLU 173.A OE2 no hydrogen 3.206 N/A ARG 177.A N VAL 174.A O no hydrogen 2.911 N/A ARG 177.A NH1 GLU 150.A OE1 no hydrogen 2.903 N/A ASN 181.A N ASP 179.A OD1 no hydrogen 2.968 N/A SER 182.A N ASP 179.A O no hydrogen 3.045 N/A SER 182.A OG ASP 179.A O no hydrogen 3.366 N/A PHE 183.A N ASP 179.A O no hydrogen 2.851 N/A ALA 184.A N VAL 159.A O no hydrogen 2.997 N/A LEU 185.A N GLN 202.A OE1 no hydrogen 2.809 N/A TYR 186.A N LEU 161.A O no hydrogen 2.868 N/A TYR 186.A OH PHE 4.A O no hydrogen 2.676 N/A SER 187.A N GLY 203.A O no hydrogen 2.903 N/A SER 187.A OG ASN 189.A O no hydrogen 3.011 N/A SER 187.A OG ASN 192.A OD1 no hydrogen 2.616 N/A GLY 188.A N ASP 163.A O no hydrogen 2.896 N/A ASN 189.A N SER 187.A OG no hydrogen 2.997 N/A ASN 189.A ND2 ASN 166.A OD1.B no hydrogen 2.594 N/A ASP 191.A N ASN 189.A OD1 no hydrogen 2.903 N/A ASN 192.A N ASN 189.A O no hydrogen 3.127 N/A ASN 192.A ND2 ASN 166.A OD1.A no hydrogen 2.929 N/A ASN 192.A ND2 ASN 166.A OD1.B no hydrogen 3.176 N/A TYR 196.A N ASN 192.A O no hydrogen 2.857 N/A TYR 196.A OH ASP 163.A OD2 no hydrogen 2.856 N/A TYR 197.A N VAL 193.A O no hydrogen 2.793 N/A GLN 198.A N VAL 194.A O no hydrogen 3.207 N/A ARG 199.A N GLU 195.A O no hydrogen 2.801 N/A ARG 199.A NH1 GLU 172.A OE2 no hydrogen 3.034 N/A GLY 200.A N TYR 197.A O no hydrogen 3.174 N/A GLY 201.A N TYR 196.A O no hydrogen 2.878 N/A GLN 202.A N LEU 185.A O no hydrogen 2.797 N/A GLN 202.A NE2 GLY 200.A O no hydrogen 2.908 N/A VAL 204.A N GLY 6.A O no hydrogen 2.929 N/A ILE 205.A N SER 187.A O no hydrogen 2.872 N/A SER 206.A N GLY 8.A O no hydrogen 2.731 N/A SER 206.A OG ASP 190.A OD1 no hydrogen 2.667 N/A SER 206.A OG ASP 190.A OD2 no hydrogen 3.455 N/A ILE 208.A N ASP 190.A OD2 no hydrogen 2.832 N/A ALA 209.A N SER 206.A OG no hydrogen 2.942 N/A ASN 210.A N VAL 207.A O no hydrogen 2.993 N/A VAL 211.A N ILE 208.A O no hydrogen 2.946 N/A ILE 212.A N ILE 208.A O no hydrogen 3.018 N/A GLU 215.A N GLU 215.A OE1 no hydrogen 2.745 N/A PHE 216.A N ILE 212.A O no hydrogen 3.017 N/A GLN 217.A N PRO 213.A O no hydrogen 2.892 N/A GLN 217.A NE2 ASP 221.A OD2 no hydrogen 3.086 N/A ALA 218.A N LYS 214.A O no hydrogen 2.936 N/A LEU 219.A N GLU 215.A O no hydrogen 3.366 N/A ASP 221.A N GLN 217.A O no hydrogen 3.030 N/A ALA 222.A N ALA 218.A O no hydrogen 2.845 N/A GLN 223.A N LEU 219.A O no hydrogen 3.032 N/A GLN 223.A NE2 TYR 220.A O no hydrogen 2.875 N/A GLN 224.A N TYR 220.A O no hydrogen 2.904 N/A SER 225.A N ASP 221.A O no hydrogen 3.067 N/A SER 225.A N ALA 222.A O no hydrogen 3.156 N/A SER 225.A OG ALA 222.A O no hydrogen 2.703 N/A GLY 226.A N GLN 223.A O no hydrogen 2.996 N/A LEU 227.A N ALA 222.A O no hydrogen 3.210 N/A GLN 230.A N ASP 228.A OD1 no hydrogen 3.041 N/A PHE 233.A N ILE 229.A O no hydrogen 2.833 N/A LYS 234.A N ASP 231.A O no hydrogen 3.183 N/A LYS 234.A NZ ASP 231.A OD1 no hydrogen 3.184 N/A GLY 237.A N PHE 233.A O no hydrogen 2.818 N/A THR 238.A N LYS 234.A O no hydrogen 3.032 N/A THR 238.A OG1 LYS 234.A O no hydrogen 3.303 N/A LEU 239.A N PRO 235.A O no hydrogen 3.186 N/A LEU 240.A N ILE 236.A O no hydrogen 2.831 N/A SER 241.A N GLY 237.A O no hydrogen 2.902 N/A SER 241.A OG.A GLY 237.A O no hydrogen 3.142 N/A ALA 242.A N THR 238.A O no hydrogen 3.207 N/A LEU 243.A N LEU 239.A O no hydrogen 2.935 N/A SER 244.A N SER 241.A O no hydrogen 3.148 N/A SER 244.A OG SER 241.A O no hydrogen 2.619 N/A VAL 245.A N ALA 242.A O no hydrogen 3.399 N/A ILE 247.A N ASP 246.A OD1 no hydrogen 2.728 N/A ILE 250.A N ILE 247.A O no hydrogen 2.836 N/A LYS 253.A N PRO 249.A O no hydrogen 3.202 N/A LYS 253.A NZ THR 13.A O no hydrogen 2.716 N/A LYS 253.A NZ GLU 48.A OE2 no hydrogen 2.687 N/A LYS 253.A NZ GLU 265.A O no hydrogen 2.882 N/A ALA 254.A N PRO 251.A O no hydrogen 2.896 N/A LEU 255.A N ILE 252.A O no hydrogen 2.904 N/A THR 256.A N ILE 252.A O no hydrogen 2.961 N/A THR 256.A OG1 ILE 252.A O no hydrogen 3.559 N/A THR 256.A OG1 LYS 253.A O no hydrogen 3.416 N/A SER 257.A N LYS 253.A O no hydrogen 3.160 N/A SER 257.A OG LYS 253.A O no hydrogen 2.683 N/A SER 257.A OG ALA 254.A O no hydrogen 3.145 N/A TYR 258.A OH ASP 286.A OD2 no hydrogen 2.595 N/A LEU 259.A N LEU 255.A O no hydrogen 3.021 N/A GLY 260.A N SER 257.A O no hydrogen 2.914 N/A PHE 261.A N THR 256.A O no hydrogen 3.023 N/A ASN 263.A N PHE 15.A O no hydrogen 2.820 N/A TYR 264.A OH ILE 250.A O no hydrogen 2.691 N/A ARG 267.A N GLU 48.A OE1 no hydrogen 2.928 N/A ARG 267.A NE ASN 18.A OD1 no hydrogen 2.910 N/A ARG 267.A NH1 THR 51.A O no hydrogen 3.017 N/A ARG 267.A NH1 GLU 56.A OE1 no hydrogen 2.781 N/A ARG 267.A NH1 GLU 56.A OE2 no hydrogen 3.378 N/A ARG 267.A NH2 ASN 18.A O no hydrogen 2.929 N/A ARG 267.A NH2 ASN 18.A OD1 no hydrogen 3.298 N/A ARG 267.A NH2 GLU 56.A OE2 no hydrogen 3.014 N/A LEU 270.A N ARG 267.A O no hydrogen 3.035 N/A SER 272.A OG LEU 273.A O no hydrogen 3.498 N/A LEU 273.A N TYR 264.A OH no hydrogen 2.903 N/A THR 278.A N GLU 274.A O no hydrogen 2.926 N/A THR 278.A OG1 LEU 273.A O no hydrogen 3.443 N/A THR 278.A OG1 GLU 274.A O no hydrogen 3.004 N/A LYS 279.A N ASP 275.A O no hydrogen 2.904 N/A VAL 280.A N THR 276.A O no hydrogen 3.087 N/A LEU 281.A N ASP 277.A O no hydrogen 3.024 N/A ARG 282.A N THR 278.A O no hydrogen 3.002 N/A ARG 282.A NE ALA 254.A O no hydrogen 2.883 N/A ARG 282.A NH2 ALA 254.A O no hydrogen 3.213 N/A ARG 282.A NH2 SER 257.A OG no hydrogen 2.962 N/A GLU 283.A N LYS 279.A O no hydrogen 2.860 N/A ALA 284.A N VAL 280.A O no hydrogen 2.916 N/A TYR 285.A N LEU 281.A O no hydrogen 3.001 N/A ASP 286.A N ARG 282.A O no hydrogen 2.948 N/A THR 287.A N GLU 283.A O no hydrogen 2.850 N/A THR 287.A OG1 GLU 283.A O no hydrogen 2.908 N/A PHE 288.A N ALA 284.A O no hydrogen 3.003 N/A LYS 289.A N TYR 285.A O no hydrogen 3.016 N/A LYS 289.A NZ GLU 215.A OE2 no hydrogen 2.873 N/A ALA 290.A N ASP 286.A O no hydrogen 2.800 N/A GLY 291.A N PHE 288.A O no hydrogen 3.083 N/A GLU 292.A N LYS 289.A O no hydrogen 3.318 N/A