Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uaq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG ALA 38.A O no hydrogen 2.488 N/A VAL 6.A N TYR 105.A O no hydrogen 2.907 N/A ALA 8.A N LEU 103.A O no hydrogen 2.883 N/A LYS 11.A NZ THR 124.A O no hydrogen 2.067 N/A ASN 13.A N GLU 150.A O no hydrogen 3.301 N/A ASP 17.A N THR 22.A O no hydrogen 2.807 N/A LYS 19.A N ASP 17.A OD1 no hydrogen 3.097 N/A LYS 20.A N ASP 17.A O no hydrogen 3.394 N/A LYS 20.A N ASP 17.A OD1 no hydrogen 3.151 N/A LEU 21.A N ASP 17.A O no hydrogen 2.961 N/A THR 22.A OG1 HIS 23.A O no hydrogen 3.106 N/A LEU 24.A N ALA 15.A O no hydrogen 2.538 N/A VAL 28.A N VAL 126.A O no hydrogen 2.785 N/A LEU 30.A N ASN 265.A O no hydrogen 3.157 N/A ASN 34.A N ASP 31.A O no hydrogen 2.794 N/A THR 36.A OG1 THR 37.A O no hydrogen 3.566 N/A ALA 38.A N SER 5.A O no hydrogen 3.049 N/A LEU 43.A N ASN 41.A OD1 no hydrogen 3.505 N/A LEU 46.A N PRO 42.A O no hydrogen 3.018 N/A THR 47.A N LEU 43.A O no hydrogen 2.863 N/A THR 47.A OG1 LEU 43.A O no hydrogen 2.511 N/A LYS 48.A N PRO 44.A O no hydrogen 2.911 N/A GLU 49.A N ALA 45.A O no hydrogen 2.906 N/A LEU 50.A N LEU 46.A O no hydrogen 2.936 N/A GLN 51.A N THR 47.A O no hydrogen 2.893 N/A GLU 52.A N LYS 48.A O no hydrogen 2.924 N/A GLU 52.A N GLU 49.A O no hydrogen 3.073 N/A ARG 53.A N GLU 49.A O no hydrogen 2.935 N/A ARG 53.A NE GLU 49.A OE2 no hydrogen 2.906 N/A ARG 53.A NH1 ASP 100.A OD2 no hydrogen 3.260 N/A ARG 53.A NH2 GLU 49.A OE2 no hydrogen 3.160 N/A ARG 53.A NH2 TYR 102.A OH no hydrogen 3.249 N/A TYR 54.A N LEU 50.A O no hydrogen 2.902 N/A TYR 54.A OH ASP 100.A OD2 no hydrogen 2.594 N/A GLY 57.A N TYR 54.A O no hydrogen 3.028 N/A TYR 60.A N PHE 75.A O no hydrogen 2.959 N/A SER 62.A N TRP 73.A O no hydrogen 3.142 N/A ASP 63.A N GLN 168.A OE1 no hydrogen 3.044 N/A LYS 65.A NZ ASP 63.A OD2 no hydrogen 3.517 N/A TYR 66.A OH HIS 119.A ND1 no hydrogen 2.619 N/A LYS 67.A N GLU 255.A OE1 no hydrogen 3.281 N/A LYS 67.A N GLU 255.A OE2 no hydrogen 2.568 N/A PHE 68.A N GLU 255.A OE1 no hydrogen 2.801 N/A LYS 70.A N TYR 106.A O no hydrogen 2.893 N/A LYS 70.A NZ ASP 64.A OD2 no hydrogen 2.843 N/A GLY 72.A N TYR 104.A O no hydrogen 2.955 N/A TRP 73.A N SER 62.A OG no hydrogen 3.167 N/A ILE 74.A N TYR 102.A O no hydrogen 2.942 N/A PHE 75.A N TYR 60.A O no hydrogen 2.830 N/A THR 76.A N ASP 100.A O no hydrogen 2.932 N/A GLU 82.A N ARG 79.A O no hydrogen 2.631 N/A ILE 84.A N TYR 96.A O no hydrogen 2.873 N/A THR 86.A N LYS 94.A O no hydrogen 3.020 N/A THR 90.A OG1 ASP 87.A O no hydrogen 3.419 N/A GLN 92.A N THR 90.A OG1 no hydrogen 3.140 N/A LYS 94.A N THR 86.A O no hydrogen 2.962 N/A LYS 94.A NZ ASP 87.A OD2 no hydrogen 3.205 N/A LYS 94.A NZ GLN 92.A O no hydrogen 2.663 N/A TYR 96.A N ILE 84.A O no hydrogen 2.904 N/A LYS 98.A N GLU 82.A O no hydrogen 3.024 N/A ASP 100.A N THR 76.A O no hydrogen 2.939 N/A TYR 102.A N ILE 74.A O no hydrogen 2.892 N/A TYR 102.A OH GLU 49.A OE2 no hydrogen 3.228 N/A LEU 103.A N ALA 8.A O no hydrogen 2.921 N/A TYR 104.A N GLY 72.A O no hydrogen 2.875 N/A TYR 105.A N VAL 6.A O no hydrogen 2.963 N/A TYR 105.A OH GLU 245.A OE2 no hydrogen 2.334 N/A TYR 106.A N LYS 70.A O no hydrogen 2.876 N/A TYR 106.A OH ASP 108.A OD1 no hydrogen 2.503 N/A ASP 108.A N PHE 68.A O no hydrogen 2.975 N/A THR 111.A OG1 PHE 248.A O no hydrogen 3.207 N/A THR 111.A OG1 GLY 250.A O no hydrogen 2.238 N/A ALA 114.A N ALA 177.A O no hydrogen 2.911 N/A TYR 116.A N PHE 175.A O no hydrogen 2.893 N/A TYR 116.A OH ALA 253.A O no hydrogen 2.440 N/A THR 117.A N LYS 274.A O no hydrogen 2.866 N/A GLY 118.A N ALA 173.A O no hydrogen 2.863 N/A HIS 119.A N ALA 272.A O no hydrogen 2.935 N/A HIS 119.A ND1 TYR 66.A OH no hydrogen 2.619 N/A HIS 119.A NE2 ALA 71.A O no hydrogen 2.942 N/A TRP 120.A NE1 SER 189.A O no hydrogen 3.118 N/A ASP 121.A N VAL 270.A O no hydrogen 2.896 N/A PHE 122.A N SER 155.A OG no hydrogen 3.027 N/A VAL 123.A N PHE 268.A O no hydrogen 2.896 N/A THR 124.A N ALA 153.A O no hydrogen 2.919 N/A THR 124.A OG1 ASP 125.A O no hydrogen 2.588 N/A ASP 125.A N SER 266.A O no hydrogen 3.055 N/A VAL 126.A N VAL 28.A O no hydrogen 3.073 N/A LYS 127.A N GLY 148.A O no hydrogen 3.182 N/A ARG 128.A N GLU 26.A O no hydrogen 3.128 N/A ARG 128.A NE GLU 26.A OE1 no hydrogen 3.040 N/A ARG 128.A NH2 GLU 26.A OE1 no hydrogen 2.814 N/A ARG 128.A NH2 GLU 26.A OE2 no hydrogen 2.749 N/A ARG 130.A N PHE 135.A O no hydrogen 2.508 N/A ARG 130.A NE GLY 136.A O no hydrogen 3.330 N/A ARG 130.A NE GLY 148.A O no hydrogen 3.345 N/A ARG 130.A NH1 ASP 125.A OD1 no hydrogen 2.739 N/A ARG 130.A NH2 ASP 125.A OD1 no hydrogen 2.705 N/A ARG 130.A NH2 GLY 148.A O no hydrogen 3.045 N/A GLU 131.A N PHE 135.A O no hydrogen 2.939 N/A PHE 135.A N GLU 131.A O no hydrogen 3.075 N/A SER 139.A OG GLY 138.A O no hydrogen 2.592 N/A LYS 142.A N SER 139.A O no hydrogen 2.856 N/A LYS 142.A NZ SER 139.A O no hydrogen 3.426 N/A ASP 144.A N ALA 157.A O no hydrogen 2.892 N/A PHE 147.A N ASP 144.A O no hydrogen 3.201 N/A GLY 148.A N VAL 151.A O no hydrogen 2.632 N/A GLU 150.A N GLY 146.A O no hydrogen 3.000 N/A VAL 151.A N GLY 146.A O no hydrogen 3.050 N/A GLY 152.A N PRO 10.A O no hydrogen 3.167 N/A ALA 153.A N THR 124.A OG1 no hydrogen 2.973 N/A SER 155.A N PHE 122.A O no hydrogen 3.302 N/A SER 155.A OG ASP 121.A OD1 no hydrogen 2.796 N/A ALA 157.A N THR 154.A O no hydrogen 3.183 N/A GLU 158.A N SER 155.A O no hydrogen 2.907 N/A GLN 159.A N LYS 142.A O no hydrogen 2.788 N/A GLN 159.A NE2 ASP 144.A OD1 no hydrogen 3.027 N/A PHE 161.A N LYS 193.A O no hydrogen 3.179 N/A GLN 163.A NE2 ASN 170.A OD1 no hydrogen 2.545 N/A ARG 167.A N PHE 156.A O no hydrogen 3.068 N/A ARG 167.A NE GLN 163.A O no hydrogen 3.272 N/A ARG 167.A NH1 ASP 144.A OD2 no hydrogen 2.429 N/A ARG 167.A NH1 PHE 156.A O no hydrogen 3.311 N/A ARG 167.A NH2 ASP 144.A OD1 no hydrogen 3.195 N/A ARG 167.A NH2 GLN 163.A O no hydrogen 3.549 N/A GLN 168.A NE2 ASP 63.A OD1 no hydrogen 3.157 N/A ASN 170.A ND2 GLN 163.A OE1 no hydrogen 3.434 N/A HIS 171.A NE2 GLU 158.A OE1 no hydrogen 2.991 N/A ARG 172.A N SER 189.A O no hydrogen 2.901 N/A ALA 173.A N GLY 118.A O no hydrogen 2.926 N/A VAL 174.A N THR 187.A O no hydrogen 2.924 N/A PHE 175.A N TYR 116.A O no hydrogen 2.907 N/A LYS 176.A N THR 185.A O no hydrogen 2.883 N/A ALA 177.A N ALA 114.A O no hydrogen 2.879 N/A ASP 178.A N LYS 183.A O no hydrogen 2.911 N/A PHE 179.A N GLY 112.A O no hydrogen 2.940 N/A ASP 180.A N ASP 178.A OD1 no hydrogen 3.105 N/A ALA 181.A N ASP 178.A OD1 no hydrogen 3.046 N/A LYS 183.A N ASP 178.A O no hydrogen 2.916 N/A LYS 183.A NZ ASP 209.A OD1 no hydrogen 2.652 N/A LEU 184.A N ALA 210.A O no hydrogen 2.772 N/A THR 185.A N LYS 176.A O no hydrogen 2.904 N/A THR 185.A OG1 LYS 176.A O no hydrogen 3.415 N/A THR 187.A N VAL 174.A O no hydrogen 2.878 N/A THR 187.A OG1 ASP 207.A OD1 no hydrogen 2.777 N/A LEU 188.A N TYR 206.A O no hydrogen 2.794 N/A SER 189.A N ARG 172.A O no hydrogen 2.914 N/A SER 189.A OG ASP 204.A OD1 no hydrogen 3.458 N/A THR 190.A N VAL 203.A O no hydrogen 2.895 N/A LYS 191.A N ASN 170.A O no hydrogen 2.717 N/A LYS 191.A NZ GLY 169.A O no hydrogen 3.500 N/A LYS 191.A NZ ASN 170.A OD1 no hydrogen 3.185 N/A GLN 192.A N THR 201.A O no hydrogen 2.813 N/A LYS 193.A NZ ILE 195.A O no hydrogen 3.377 N/A LYS 193.A NZ ALA 196.A O no hydrogen 2.812 N/A LYS 193.A NZ SER 198.A O no hydrogen 2.606 N/A ILE 195.A N SER 198.A OG no hydrogen 3.214 N/A SER 198.A N ILE 195.A O no hydrogen 3.094 N/A THR 201.A N GLN 192.A O no hydrogen 2.890 N/A VAL 203.A N THR 190.A O no hydrogen 2.917 N/A ARG 205.A N LEU 188.A O no hydrogen 2.898 N/A ARG 205.A NH2 GLU 158.A OE2 no hydrogen 2.888 N/A TYR 206.A N LEU 188.A O no hydrogen 3.214 N/A ASP 207.A N ILE 222.A O no hydrogen 2.895 N/A ILE 208.A N GLY 186.A O no hydrogen 2.610 N/A ASP 209.A N SER 220.A O no hydrogen 2.924 N/A ALA 210.A N LEU 184.A O no hydrogen 2.967 N/A THR 211.A N ALA 218.A O no hydrogen 2.890 N/A ILE 212.A N LYS 182.A O no hydrogen 2.949 N/A LYS 213.A N ARG 216.A O no hydrogen 2.875 N/A ARG 216.A NH1 TYR 105.A OH no hydrogen 2.986 N/A ARG 216.A NH1 GLU 245.A OE1 no hydrogen 2.842 N/A PHE 217.A N GLY 246.A O no hydrogen 2.909 N/A ALA 218.A N THR 211.A O no hydrogen 2.935 N/A GLY 219.A N LEU 244.A O no hydrogen 2.881 N/A SER 220.A N ASP 209.A O no hydrogen 2.880 N/A ALA 221.A N ALA 240.A O no hydrogen 3.082 N/A ILE 222.A N ASP 207.A O no hydrogen 2.887 N/A ALA 223.A N ASN 239.A OD1 no hydrogen 2.870 N/A LYS 224.A N ARG 205.A O no hydrogen 3.094 N/A LYS 224.A NZ ASP 207.A OD2 no hydrogen 2.696 N/A THR 226.A OG1 ASN 225.A O no hydrogen 2.321 N/A SER 228.A OG GLU 131.A OE2 no hydrogen 2.883 N/A SER 229.A N GLU 232.A O no hydrogen 2.474 N/A GLU 232.A N SER 229.A OG no hydrogen 2.597 N/A ASN 234.A N SER 228.A OG no hydrogen 3.306 N/A ASN 234.A ND2 LYS 227.A O no hydrogen 3.583 N/A PHE 236.A N ASN 234.A OD1 no hydrogen 2.550 N/A ASN 237.A N ASN 237.A OD1 no hydrogen 2.500 N/A ASN 239.A ND2 ASP 241.A OD1 no hydrogen 3.097 N/A ALA 240.A N ALA 221.A O no hydrogen 2.842 N/A ASP 241.A N ASN 263.A OD1 no hydrogen 3.083 N/A ASN 242.A N SER 220.A OG no hydrogen 2.829 N/A ARG 243.A N ALA 240.A O no hydrogen 3.274 N/A ARG 243.A NE LEU 261.A O no hydrogen 2.764 N/A ARG 243.A NE THR 262.A O no hydrogen 3.014 N/A ARG 243.A NH2 THR 262.A O no hydrogen 2.851 N/A LEU 244.A N GLY 219.A O no hydrogen 2.941 N/A GLU 245.A N LYS 259.A O no hydrogen 2.893 N/A GLY 246.A N PHE 217.A O no hydrogen 2.917 N/A GLY 247.A N ALA 257.A O no hydrogen 2.900 N/A PHE 248.A N ASN 215.A O no hydrogen 2.863 N/A TYR 249.A N GLU 255.A O no hydrogen 2.922 N/A TYR 249.A OH GLY 4.A O no hydrogen 2.814 N/A GLY 250.A N ASN 109.A O no hydrogen 2.821 N/A ASN 252.A N GLU 254.A OE1 no hydrogen 2.342 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 3.031 N/A GLU 255.A N TYR 249.A O no hydrogen 2.910 N/A LEU 256.A N GLY 273.A O no hydrogen 2.901 N/A ALA 257.A N GLY 247.A O no hydrogen 2.953 N/A GLY 258.A N PHE 271.A O no hydrogen 2.931 N/A LYS 259.A N GLU 245.A O no hydrogen 2.878 N/A LYS 259.A NZ GLU 245.A OE2 no hydrogen 3.192 N/A PHE 260.A N ALA 269.A O no hydrogen 2.886 N/A LEU 261.A N ARG 243.A O no hydrogen 3.200 N/A THR 262.A N VAL 267.A O no hydrogen 2.919 N/A THR 262.A OG1 SER 266.A OG no hydrogen 2.811 N/A THR 262.A OG1 VAL 267.A O no hydrogen 3.310 N/A ASN 263.A N ASN 239.A O no hydrogen 2.910 N/A ASN 263.A ND2 ASP 241.A OD2 no hydrogen 2.563 N/A ASN 265.A N THR 262.A O no hydrogen 3.138 N/A SER 266.A N THR 262.A OG1 no hydrogen 2.881 N/A SER 266.A OG THR 262.A OG1 no hydrogen 2.811 N/A SER 266.A OG ASP 264.A OD1 no hydrogen 2.371 N/A VAL 267.A N THR 262.A OG1 no hydrogen 2.676 N/A PHE 268.A N VAL 123.A O no hydrogen 2.909 N/A ALA 269.A N PHE 260.A O no hydrogen 2.888 N/A VAL 270.A N ASP 121.A O no hydrogen 2.906 N/A PHE 271.A N GLY 258.A O no hydrogen 2.888 N/A ALA 272.A N HIS 119.A O no hydrogen 2.919 N/A GLY 273.A N LEU 256.A O no hydrogen 2.912 N/A LYS 274.A N THR 117.A O no hydrogen 2.915 N/A GLN 275.A N GLU 254.A O no hydrogen 3.273 N/A GLN 275.A NE2 ASN 252.A O no hydrogen 3.378 N/A GLN 275.A NE2 ALA 253.A O no hydrogen 3.037 N/A