Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N ASP 5.A OD2 no hydrogen 2.462 N/A SER 2.A N ASP 5.A OD2 no hydrogen 2.843 N/A SER 2.A OG ASP 5.A OD1 no hydrogen 3.402 N/A THR 4.A N SER 2.A OG no hydrogen 3.414 N/A ASP 5.A N SER 2.A O no hydrogen 3.393 N/A TYR 8.A N ARG 51.A O no hydrogen 2.888 N/A GLN 17.A N TYR 42.A O no hydrogen 2.840 N/A LEU 19.A N ILE 44.A O no hydrogen 2.801 N/A LYS 21.A NZ GLU 247.A OE1 no hydrogen 2.971 N/A SER 22.A N ASP 20.A OD2 no hydrogen 3.409 N/A SER 22.A OG ASP 20.A OD2 no hydrogen 2.820 N/A PHE 25.A N LYS 21.A O no hydrogen 3.155 N/A GLY 26.A N SER 22.A O no hydrogen 3.009 N/A ASN 28.A N PHE 25.A O no hydrogen 3.018 N/A ASN 28.A ND2 PHE 25.A O no hydrogen 2.756 N/A SER 29.A N ASP 229.A O no hydrogen 2.845 N/A SER 31.A N HIS 226.A O no hydrogen 3.056 N/A PHE 32.A N TYR 45.A O no hydrogen 3.153 N/A VAL 33.A N ALA 224.A O no hydrogen 2.868 N/A MET 34.A N TYR 43.A O no hydrogen 2.875 N/A TYR 35.A N TYR 222.A O no hydrogen 2.821 N/A TYR 35.A OH ASP 40.A OD1 no hydrogen 2.459 N/A SER 36.A N ALA 41.A O no hydrogen 3.056 N/A SER 36.A OG ASP 219.A OD1 no hydrogen 2.586 N/A MET 37.A N LYS 220.A O no hydrogen 2.988 N/A ALA 38.A N ASP 219.A OD2 no hydrogen 2.946 N/A ALA 39.A N SER 36.A OG no hydrogen 3.150 N/A ASP 40.A N MET 37.A O no hydrogen 3.397 N/A ALA 41.A N SER 36.A O no hydrogen 3.471 N/A TYR 42.A N ASP 15.A O no hydrogen 3.020 N/A TYR 43.A N MET 34.A O no hydrogen 2.826 N/A ILE 44.A N GLN 17.A O no hydrogen 2.909 N/A TYR 45.A N PHE 32.A O no hydrogen 2.868 N/A ASN 46.A ND2 GLY 30.A O no hydrogen 3.022 N/A SER 50.A N ASN 46.A O no hydrogen 2.859 N/A SER 50.A OG GLU 47.A O no hydrogen 2.643 N/A ARG 51.A N LYS 48.A O no hydrogen 3.168 N/A ARG 51.A NE GLU 47.A OE1 no hydrogen 2.971 N/A ARG 51.A NH1 LYS 10.A O no hydrogen 2.914 N/A ARG 51.A NH2 TYR 8.A O no hydrogen 2.919 N/A ARG 51.A NH2 LYS 10.A O no hydrogen 2.918 N/A LYS 52.A N GLU 49.A O no hydrogen 3.161 N/A ARG 53.A N TYR 6.A O no hydrogen 2.900 N/A ARG 53.A NE GLU 155.A OE1 no hydrogen 2.957 N/A ARG 53.A NH1 GLU 155.A OE2 no hydrogen 2.760 N/A TYR 54.A N ILE 151.A O no hydrogen 2.832 N/A TYR 54.A OH GLU 49.A OE1 no hydrogen 2.833 N/A SER 55.A OG ASN 57.A OD1 no hydrogen 3.400 N/A ASN 57.A ND2 GLU 146.A OE1 no hydrogen 2.985 N/A SER 58.A OG SER 106.A OG no hydrogen 3.414 N/A THR 59.A N PRO 56.A O no hydrogen 3.181 N/A THR 59.A OG1 PRO 56.A O no hydrogen 2.745 N/A TYR 60.A N ASN 57.A O no hydrogen 3.143 N/A TYR 60.A OH TYR 143.A OH no hydrogen 2.665 N/A LYS 61.A N SER 58.A O no hydrogen 3.075 N/A LYS 61.A NZ SER 106.A OG no hydrogen 3.030 N/A LYS 61.A NZ ASN 108.A OD1 no hydrogen 2.849 N/A ILE 62.A N THR 59.A O no hydrogen 3.179 N/A TYR 63.A N TYR 60.A O no hydrogen 2.962 N/A LEU 64.A N TYR 60.A O no hydrogen 2.904 N/A ALA 65.A N LYS 61.A O no hydrogen 2.903 N/A MET 66.A N ILE 62.A O no hydrogen 3.047 N/A PHE 67.A N TYR 63.A O no hydrogen 2.793 N/A GLY 68.A N LEU 64.A O no hydrogen 2.839 N/A LEU 69.A N ALA 65.A O no hydrogen 2.972 N/A ASP 70.A N MET 66.A O no hydrogen 2.889 N/A ARG 71.A N PHE 67.A O no hydrogen 2.866 N/A HIS 72.A N LEU 69.A O no hydrogen 3.205 N/A ILE 73.A N GLY 68.A O no hydrogen 2.778 N/A ILE 74.A N GLY 68.A O no hydrogen 3.196 N/A ASN 75.A N ASN 78.A O no hydrogen 3.067 N/A ASP 76.A N ASP 76.A OD2 no hydrogen 2.608 N/A ASN 78.A N ASN 75.A OD1 no hydrogen 2.723 N/A ARG 80.A N ASN 78.A OD1 no hydrogen 2.821 N/A ARG 80.A NH2.A ASN 78.A OD1 no hydrogen 2.866 N/A MET 81.A N GLN 97.A O no hydrogen 3.019 N/A TRP 83.A NE1 LYS 86.A O no hydrogen 2.699 N/A LYS 86.A N ASN 84.A OD1 no hydrogen 3.352 N/A TYR 88.A N ASN 94.A OD1 no hydrogen 2.744 N/A TRP 93.A N PHE 90.A O no hydrogen 3.020 N/A ASN 94.A N ASP 91.A O no hydrogen 3.085 N/A ASN 94.A ND2 TYR 88.A O no hydrogen 3.068 N/A ASN 94.A ND2 ASP 91.A OD2 no hydrogen 3.490 N/A GLN 97.A N MET 81.A O no hydrogen 3.063 N/A GLN 97.A NE2 ALA 92.A O no hydrogen 2.808 N/A GLN 97.A NE2 LYS 95.A O no hydrogen 3.089 N/A ASP 98.A N THR 101.A OG1 no hydrogen 3.049 N/A LEU 99.A N SER 79.A OG no hydrogen 2.916 N/A THR 101.A N ASP 98.A OD1 no hydrogen 2.859 N/A THR 101.A OG1 GLN 97.A OE1 no hydrogen 2.740 N/A THR 101.A OG1 ASP 98.A O no hydrogen 3.320 N/A ALA 102.A N ASP 98.A O no hydrogen 2.943 N/A MET 103.A N LEU 99.A O no hydrogen 2.899 N/A GLN 104.A N ASN 100.A O no hydrogen 3.118 N/A ASN 105.A N THR 101.A O no hydrogen 2.923 N/A ASN 105.A ND2 THR 101.A O no hydrogen 3.325 N/A SER 106.A N MET 103.A O no hydrogen 3.178 N/A VAL 107.A N ALA 102.A O no hydrogen 2.963 N/A TRP 109.A NE1 TRP 93.A O no hydrogen 2.925 N/A TYR 110.A OH SER 79.A O no hydrogen 2.752 N/A GLU 112.A N ASN 108.A O no hydrogen 2.860 N/A ARG 113.A N TRP 109.A O no hydrogen 2.897 N/A ARG 113.A NH1 SER 82.A O no hydrogen 3.142 N/A ARG 113.A NH2 SER 82.A O no hydrogen 2.971 N/A ILE 114.A N TYR 110.A O no hydrogen 3.183 N/A SER 115.A N PHE 111.A O no hydrogen 2.877 N/A ASP 116.A N GLU 112.A O no hydrogen 3.031 N/A GLN 117.A N ILE 114.A O no hydrogen 3.118 N/A GLN 117.A NE2 ARG 113.A O no hydrogen 3.134 N/A ILE 118.A N SER 115.A O no hydrogen 3.028 N/A TYR 122.A N PRO 119.A O no hydrogen 3.099 N/A TYR 122.A OH ASP 70.A OD2 no hydrogen 2.509 N/A THR 123.A N PRO 119.A O no hydrogen 3.365 N/A THR 123.A OG1 TYR 140.A OH no hydrogen 2.801 N/A ALA 124.A N LYS 120.A O no hydrogen 2.920 N/A THR 125.A N ASN 121.A O no hydrogen 3.024 N/A THR 125.A OG1 ASN 121.A O no hydrogen 2.798 N/A GLN 126.A N TYR 122.A O no hydrogen 2.826 N/A LEU 127.A N THR 123.A O no hydrogen 2.726 N/A LYS 128.A N ALA 124.A O no hydrogen 3.075 N/A GLN 129.A N THR 125.A O no hydrogen 3.054 N/A LEU 130.A N GLN 126.A O no hydrogen 2.917 N/A ASN 131.A N LYS 128.A O no hydrogen 3.189 N/A TYR 132.A N LEU 127.A O no hydrogen 2.908 N/A ASN 134.A N LYS 150.A O no hydrogen 2.795 N/A ASN 134.A ND2 ASP 5.A O no hydrogen 3.210 N/A ASN 134.A ND2 SER 148.A O no hydrogen 2.982 N/A LYS 135.A N TYR 132.A O no hydrogen 2.996 N/A ASN 136.A N ASN 134.A OD1 no hydrogen 3.006 N/A ASN 136.A ND2 ASP 5.A OD2 no hydrogen 3.402 N/A GLY 138.A N ASN 136.A OD1 no hydrogen 2.942 N/A TYR 140.A N LEU 137.A O no hydrogen 2.954 N/A TYR 140.A OH ILE 118.A O no hydrogen 2.453 N/A TYR 140.A OH THR 123.A OG1 no hydrogen 2.801 N/A SER 142.A OG GLU 112.A OE2 no hydrogen 3.225 N/A TYR 143.A OH TYR 60.A OH no hydrogen 2.665 N/A MET 145.A N SER 142.A O no hydrogen 2.971 N/A GLU 146.A N SER 55.A OG no hydrogen 2.877 N/A GLU 146.A N ASN 57.A OD1 no hydrogen 3.242 N/A SER 148.A N ASP 147.A OD2 no hydrogen 2.726 N/A SER 148.A OG ASN 136.A O no hydrogen 3.033 N/A SER 148.A OG ASP 147.A OD2 no hydrogen 3.143 N/A LEU 149.A N TYR 143.A O no hydrogen 3.385 N/A LYS 150.A N ASN 134.A OD1 no hydrogen 2.956 N/A ILE 151.A N TYR 54.A O no hydrogen 2.797 N/A SER 152.A N GLU 155.A OE1 no hydrogen 2.989 N/A SER 152.A OG GLU 155.A OE1 no hydrogen 2.768 N/A ASN 153.A ND2 SER 31.A OG no hydrogen 3.030 N/A ASN 153.A ND2 ALA 224.A O no hydrogen 2.944 N/A LEU 154.A N SER 50.A O no hydrogen 2.878 N/A GLU 155.A N SER 152.A OG no hydrogen 3.135 N/A GLN 156.A N SER 152.A O no hydrogen 2.870 N/A GLN 156.A NE2 THR 59.A OG1 no hydrogen 3.027 N/A ILE 158.A N LEU 154.A O no hydrogen 3.267 N/A VAL 159.A N GLU 155.A O no hydrogen 2.902 N/A PHE 160.A N GLN 156.A O no hydrogen 3.223 N/A LYS 161.A N VAL 157.A O no hydrogen 2.947 N/A LYS 161.A NZ ASN 162.A OD1 no hydrogen 2.882 N/A ASN 162.A N ILE 158.A O no hydrogen 2.905 N/A MET 163.A N VAL 159.A O no hydrogen 3.000 N/A MET 164.A N PHE 160.A O no hydrogen 3.008 N/A GLU 165.A N LYS 161.A O no hydrogen 2.766 N/A GLN 166.A N ASN 162.A O no hydrogen 3.070 N/A ASN 168.A ND2 MET 163.A O no hydrogen 2.988 N/A ALA 174.A N SER 171.A OG no hydrogen 3.168 N/A LYS 175.A N SER 171.A O no hydrogen 3.154 N/A LYS 175.A NZ MET 163.A O no hydrogen 2.954 N/A LYS 175.A NZ MET 164.A O no hydrogen 3.100 N/A LYS 175.A NZ GLN 166.A O no hydrogen 2.801 N/A LYS 175.A NZ ASN 168.A OD1 no hydrogen 3.015 N/A ASN 176.A N LYS 172.A O no hydrogen 3.036 N/A GLN 177.A N LYS 173.A O no hydrogen 2.877 N/A GLN 177.A NE2 ASN 75.A O no hydrogen 2.792 N/A LEU 178.A N ALA 174.A O no hydrogen 2.914 N/A SER 179.A N LYS 175.A O no hydrogen 2.914 N/A SER 179.A OG LYS 175.A O no hydrogen 3.146 N/A SER 179.A OG TYR 213.A OH no hydrogen 2.463 N/A SER 180.A N ASN 176.A O no hydrogen 2.950 N/A SER 180.A OG ASN 176.A O no hydrogen 3.135 N/A SER 181.A N GLN 177.A O no hydrogen 3.186 N/A SER 181.A OG LEU 178.A O no hydrogen 2.586 N/A LEU 182.A N LEU 178.A O no hydrogen 3.090 N/A LEU 182.A N SER 179.A O no hydrogen 2.982 N/A ILE 184.A N LEU 192.A O no hydrogen 2.747 N/A LYS 185.A N LEU 192.A O no hydrogen 3.105 N/A LYS 186.A NZ GLU 191.A OE2 no hydrogen 2.720 N/A ASN 187.A N TYR 190.A O no hydrogen 2.902 N/A LYS 189.A N ASN 187.A OD1 no hydrogen 3.133 N/A TYR 190.A N ASN 187.A OD1 no hydrogen 2.938 N/A GLU 191.A N ILE 215.A O no hydrogen 2.862 N/A LEU 192.A N LYS 185.A O no hydrogen 2.720 N/A TYR 193.A N TYR 213.A O no hydrogen 2.898 N/A TYR 193.A OH GLU 191.A OE1 no hydrogen 2.678 N/A GLY 194.A N LEU 182.A O no hydrogen 2.943 N/A LYS 195.A N VAL 211.A O no hydrogen 2.882 N/A LYS 195.A NZ SER 106.A OG no hydrogen 2.819 N/A LYS 195.A NZ THR 196.A O no hydrogen 2.925 N/A GLY 197.A N TRP 209.A O no hydrogen 3.154 N/A GLY 199.A N ASN 207.A O no hydrogen 2.819 N/A VAL 201.A N LYS 204.A O no hydrogen 2.870 N/A LYS 204.A N VAL 201.A O no hydrogen 2.990 N/A ASN 206.A N GLY 199.A O no hydrogen 2.730 N/A ASN 206.A ND2 GLU 146.A OE2 no hydrogen 3.313 N/A GLY 208.A N LEU 227.A O no hydrogen 2.794 N/A TRP 209.A N GLY 197.A O no hydrogen 2.755 N/A TRP 209.A NE1 SER 55.A O no hydrogen 2.700 N/A PHE 210.A N THR 225.A O no hydrogen 3.135 N/A VAL 211.A N LYS 195.A O no hydrogen 3.095 N/A GLY 212.A N PHE 223.A O no hydrogen 2.960 N/A TYR 213.A N TYR 193.A O no hydrogen 3.002 N/A VAL 214.A N TYR 221.A O no hydrogen 2.744 N/A ILE 215.A N GLU 191.A O no hydrogen 2.868 N/A THR 216.A N ASP 219.A O no hydrogen 3.002 N/A THR 216.A OG1 ASP 219.A O no hydrogen 3.519 N/A ASN 217.A ND2 GLU 188.A O no hydrogen 3.683 N/A HIS 218.A N THR 216.A OG1 no hydrogen 3.037 N/A ASP 219.A N THR 216.A OG1 no hydrogen 3.206 N/A LYS 220.A N ASP 219.A OD2 no hydrogen 2.705 N/A LYS 220.A NZ GLU 165.A OE2 no hydrogen 2.743 N/A TYR 221.A N VAL 214.A O no hydrogen 2.805 N/A TYR 222.A N TYR 35.A O no hydrogen 3.010 N/A TYR 222.A OH GLU 165.A OE2 no hydrogen 2.272 N/A PHE 223.A N GLY 212.A O no hydrogen 2.888 N/A ALA 224.A N VAL 33.A O no hydrogen 2.823 N/A THR 225.A N PHE 210.A O no hydrogen 2.999 N/A THR 225.A OG1 SER 241.A OG no hydrogen 2.719 N/A HIS 226.A N SER 31.A O no hydrogen 2.970 N/A HIS 226.A NE2 ASN 207.A OD1 no hydrogen 3.024 N/A LEU 227.A N GLY 208.A O no hydrogen 2.801 N/A SER 228.A N SER 29.A O no hydrogen 2.900 N/A SER 228.A OG GLU 49.A OE1 no hydrogen 3.460 N/A ASP 229.A N SER 29.A O no hydrogen 3.436 N/A LYS 231.A N ASN 28.A OD1 no hydrogen 2.928 N/A SER 233.A N LYS 231.A O no hydrogen 2.767 N/A GLY 234.A N THR 198.A OG1 no hydrogen 3.066 N/A ASN 236.A N SER 233.A OG no hydrogen 3.101 N/A ASN 236.A ND2 LYS 231.A O no hydrogen 3.084 N/A ALA 237.A N SER 233.A O no hydrogen 2.918 N/A GLU 238.A N GLY 234.A O no hydrogen 2.896 N/A LEU 239.A N LYS 235.A O no hydrogen 3.040 N/A ILE 240.A N ASN 236.A O no hydrogen 3.004 N/A SER 241.A N ALA 237.A O no hydrogen 3.038 N/A SER 241.A OG THR 225.A OG1 no hydrogen 2.719 N/A SER 241.A OG ALA 237.A O no hydrogen 2.652 N/A GLU 242.A N GLU 238.A O no hydrogen 3.032 N/A LYS 243.A N LEU 239.A O no hydrogen 3.068 N/A ILE 244.A N ILE 240.A O no hydrogen 2.962 N/A LEU 245.A N SER 241.A O no hydrogen 2.857 N/A LYS 246.A N GLU 242.A O no hydrogen 3.036 N/A GLU 247.A N LYS 243.A O no hydrogen 3.153 N/A MET 248.A N ILE 244.A O no hydrogen 2.973 N/A GLY 249.A N LYS 246.A O no hydrogen 3.238 N/A VAL 250.A N LEU 245.A O no hydrogen 3.032 N/A