Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i2e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N ALA 2.A O no hydrogen 3.277 N/A ARG 5.A NE ASN 219.A O no hydrogen 2.745 N/A ARG 5.A NH2 ASN 219.A OD1 no hydrogen 3.154 N/A THR 7.A N ILE 272.A O no hydrogen 2.697 N/A THR 7.A OG1 HIS 8.A ND1 no hydrogen 2.540 N/A THR 7.A OG1 ILE 272.A O no hydrogen 3.384 N/A HIS 8.A N ILE 272.A O no hydrogen 2.901 N/A HIS 8.A ND1 THR 7.A OG1 no hydrogen 2.540 N/A ALA 9.A N GLN 54.A O no hydrogen 2.997 N/A VAL 10.A N VAL 270.A O no hydrogen 2.812 N/A VAL 11.A N VAL 56.A O no hydrogen 2.968 N/A ARG 12.A NE PRO 59.A O no hydrogen 2.782 N/A ARG 12.A NH2 PRO 59.A O no hydrogen 3.190 N/A ALA 13.A N LEU 58.A O no hydrogen 3.193 N/A GLU 16.A N GLU 62.A OE2 no hydrogen 2.656 N/A SER 17.A N GLU 62.A OE1 no hydrogen 2.885 N/A SER 17.A OG GLU 62.A O no hydrogen 2.704 N/A SER 17.A OG GLU 62.A OE1 no hydrogen 3.308 N/A LEU 18.A N PRO 15.A O no hydrogen 3.184 N/A HIS 21.A N SER 17.A O no hydrogen 2.863 N/A ALA 22.A N LEU 18.A O no hydrogen 3.082 N/A LEU 23.A N ASP 66.A OD2 no hydrogen 2.703 N/A ARG 24.A NE ALA 22.A O no hydrogen 3.014 N/A ARG 24.A NH1 GLY 19.A O no hydrogen 3.170 N/A ARG 24.A NH2 GLY 19.A O no hydrogen 3.047 N/A ARG 24.A NH2 ALA 22.A O no hydrogen 2.908 N/A SER 25.A N ASP 262.A OD2 no hydrogen 2.600 N/A SER 25.A OG ASP 262.A OD1 no hydrogen 2.613 N/A SER 25.A OG ASP 262.A OD2 no hydrogen 3.014 N/A ASP 32.A N GLU 257.A OE1 no hydrogen 2.763 N/A ARG 35.A N ASP 32.A OD1 no hydrogen 2.861 N/A ALA 36.A N ASP 32.A O no hydrogen 2.880 N/A GLU 37.A N VAL 33.A O no hydrogen 2.822 N/A ARG 38.A N ALA 34.A O no hydrogen 3.016 N/A ARG 38.A NH1 GLN 41.A OE1 no hydrogen 3.490 N/A GLN 39.A N ARG 35.A O no hydrogen 2.865 N/A GLN 39.A NE2 SER 256.A OG no hydrogen 2.743 N/A HIS 40.A N ALA 36.A O no hydrogen 2.874 N/A GLN 41.A N GLU 37.A O no hydrogen 2.933 N/A LEU 42.A N ARG 38.A O no hydrogen 2.952 N/A TYR 43.A N GLN 39.A O no hydrogen 2.940 N/A TYR 43.A OH LEU 265.A O no hydrogen 2.585 N/A TYR 43.A OH SER 269.A OG no hydrogen 2.822 N/A VAL 44.A N HIS 40.A O no hydrogen 2.932 N/A GLY 45.A N GLN 41.A O no hydrogen 2.855 N/A VAL 46.A N LEU 42.A O no hydrogen 2.960 N/A LEU 47.A N TYR 43.A O no hydrogen 3.246 N/A GLY 48.A N VAL 44.A O no hydrogen 2.947 N/A LYS 50.A N GLY 45.A O no hydrogen 2.978 N/A LEU 51.A N VAL 46.A O no hydrogen 2.849 N/A GLY 52.A N GLY 48.A O no hydrogen 2.777 N/A LEU 53.A N LEU 47.A O no hydrogen 3.059 N/A GLN 54.A N THR 7.A O no hydrogen 2.879 N/A VAL 56.A N ALA 9.A O no hydrogen 2.916 N/A LEU 58.A N VAL 11.A O no hydrogen 2.947 N/A SER 63.A N ASP 61.A OD2 no hydrogen 2.973 N/A SER 63.A OG ASP 61.A OD1 no hydrogen 3.394 N/A SER 63.A OG ASP 61.A OD2 no hydrogen 2.809 N/A LEU 64.A N ASP 61.A O no hydrogen 2.709 N/A CYS 67.A N LEU 64.A O no hydrogen 3.073 N/A CYS 67.A SG ALA 13.A O no hydrogen 3.718 N/A CYS 67.A SG LEU 64.A O no hydrogen 3.159 N/A PHE 69.A N ASP 66.A O no hydrogen 2.991 N/A GLU 71.A N CYS 267.A O no hydrogen 3.098 N/A ASP 72.A N PHE 69.A O no hydrogen 3.385 N/A VAL 73.A N VAL 70.A O no hydrogen 3.149 N/A VAL 75.A N LEU 82.A O no hydrogen 2.974 N/A CYS 77.A N THR 80.A O no hydrogen 2.937 N/A THR 80.A N CYS 77.A O no hydrogen 3.007 N/A ALA 81.A N ASN 108.A O no hydrogen 2.751 N/A LEU 82.A N VAL 75.A O no hydrogen 2.779 N/A ILE 83.A N VAL 110.A O no hydrogen 2.780 N/A THR 84.A N VAL 73.A O no hydrogen 3.084 N/A THR 84.A OG1 ASP 72.A O no hydrogen 2.634 N/A ARG 85.A NH1 ALA 117.A O no hydrogen 2.870 N/A GLY 87.A N ASP 120.A OD1 no hydrogen 3.005 N/A ARG 91.A N ALA 88.A O no hydrogen 2.861 N/A ARG 91.A NE GLU 94.A OE1 no hydrogen 3.439 N/A ARG 91.A NE GLU 94.A OE2 no hydrogen 2.711 N/A ARG 91.A NH1 ASP 72.A OD2 no hydrogen 2.970 N/A ARG 91.A NH2 PHE 69.A O no hydrogen 2.868 N/A ARG 91.A NH2 GLU 94.A OE1 no hydrogen 2.858 N/A ARG 92.A N PRO 89.A O no hydrogen 2.989 N/A ARG 92.A NE PRO 86.A O no hydrogen 2.869 N/A ARG 92.A NH2 PRO 86.A O no hydrogen 3.065 N/A GLU 94.A N ARG 91.A O no hydrogen 3.052 N/A LYS 99.A N VAL 95.A O no hydrogen 2.989 N/A LYS 99.A NZ GLU 111.A OE1 no hydrogen 3.421 N/A LYS 99.A NZ GLU 111.A OE2 no hydrogen 2.903 N/A GLU 100.A N ASP 96.A O no hydrogen 3.074 N/A ALA 101.A N MET 97.A O no hydrogen 3.112 N/A LEU 102.A N MET 98.A O no hydrogen 2.819 N/A GLU 103.A N LYS 99.A O no hydrogen 2.884 N/A LYS 104.A N GLU 100.A O no hydrogen 3.108 N/A LEU 105.A N ALA 101.A O no hydrogen 3.296 N/A LEU 105.A N LEU 102.A O no hydrogen 3.044 N/A GLN 106.A N GLU 103.A O no hydrogen 2.892 N/A GLN 106.A NE2 LYS 104.A O no hydrogen 2.927 N/A LEU 107.A N LEU 102.A O no hydrogen 3.308 N/A ASN 108.A N GLU 79.A O no hydrogen 2.758 N/A VAL 110.A N ALA 81.A O no hydrogen 2.988 N/A MET 112.A N ILE 83.A O no hydrogen 2.847 N/A ASN 116.A N ASP 114.A OD1 no hydrogen 2.739 N/A ALA 117.A N ASP 114.A O no hydrogen 2.909 N/A THR 118.A N ASN 140.A OD1 no hydrogen 3.290 N/A THR 118.A OG1 ARG 138.A O no hydrogen 2.648 N/A LEU 119.A N ARG 85.A O no hydrogen 2.820 N/A ASP 120.A N THR 139.A OG1 no hydrogen 2.950 N/A GLY 121.A N ASP 72.A O no hydrogen 2.922 N/A GLY 122.A N ASP 72.A OD1 no hydrogen 2.853 N/A ASP 123.A N ASP 120.A O no hydrogen 2.921 N/A VAL 124.A N GLY 121.A O no hydrogen 3.037 N/A LEU 125.A N PHE 132.A O no hydrogen 2.818 N/A THR 127.A N GLU 130.A O no hydrogen 3.027 N/A THR 127.A OG1 GLU 130.A O no hydrogen 3.430 N/A THR 127.A OG1 TYR 202.A OH no hydrogen 2.500 N/A ARG 129.A N THR 127.A OG1 no hydrogen 3.014 N/A ARG 129.A NH2 HIS 200.A O no hydrogen 3.207 N/A GLU 130.A N THR 127.A OG1 no hydrogen 3.169 N/A PHE 131.A N ALA 155.A O no hydrogen 2.824 N/A PHE 132.A N LEU 125.A O no hydrogen 2.951 N/A VAL 133.A N SER 157.A O no hydrogen 2.794 N/A GLY 134.A N ASP 123.A O no hydrogen 2.665 N/A LEU 135.A N VAL 159.A O no hydrogen 2.927 N/A SER 136.A N THR 139.A O no hydrogen 2.943 N/A SER 136.A OG ASP 123.A OD2 no hydrogen 2.799 N/A ARG 138.A N SER 136.A OG no hydrogen 3.185 N/A ARG 138.A NH1 ASP 120.A OD2 no hydrogen 2.583 N/A THR 139.A N SER 136.A OG no hydrogen 3.264 N/A THR 139.A OG1 ASP 123.A OD2 no hydrogen 2.803 N/A ASN 140.A N THR 118.A O no hydrogen 3.211 N/A ASN 140.A ND2 ASN 116.A O no hydrogen 2.966 N/A ARG 142.A NE ASP 114.A OD2 no hydrogen 3.268 N/A ARG 142.A NH1 ASP 114.A OD2 no hydrogen 2.845 N/A ARG 142.A NH2 GLU 145.A OE1 no hydrogen 3.103 N/A GLY 143.A N ASN 140.A OD1 no hydrogen 2.890 N/A ALA 144.A N ASN 140.A O no hydrogen 3.130 N/A GLU 145.A N GLN 141.A O no hydrogen 2.882 N/A ILE 146.A N ARG 142.A O no hydrogen 2.933 N/A LEU 147.A N GLY 143.A O no hydrogen 3.070 N/A ALA 148.A N ALA 144.A O no hydrogen 2.966 N/A ASP 149.A N GLU 145.A O no hydrogen 2.996 N/A THR 150.A N ILE 146.A O no hydrogen 2.915 N/A THR 150.A N LEU 147.A O no hydrogen 2.988 N/A THR 150.A OG1 ILE 146.A O no hydrogen 2.695 N/A PHE 151.A N LEU 147.A O no hydrogen 3.007 N/A LYS 152.A NZ ASP 149.A O no hydrogen 3.364 N/A LYS 152.A NZ ASP 149.A OD2 no hydrogen 2.770 N/A TYR 154.A N PHE 151.A O no hydrogen 3.084 N/A SER 157.A N PHE 131.A O no hydrogen 2.980 N/A VAL 159.A N VAL 133.A O no hydrogen 2.973 N/A VAL 161.A N LEU 135.A O no hydrogen 3.011 N/A LEU 165.A N ALA 162.A O no hydrogen 3.130 N/A HIS 166.A N SER 169.A OG no hydrogen 2.846 N/A HIS 166.A NE2 ASP 120.A OD2 no hydrogen 2.692 N/A LEU 167.A N ASP 123.A OD1 no hydrogen 2.724 N/A LYS 168.A N GLY 122.A O no hydrogen 3.214 N/A LYS 168.A NZ GLU 71.A OE1 no hydrogen 2.634 N/A LYS 168.A NZ VAL 124.A O no hydrogen 3.001 N/A SER 169.A N HIS 166.A O no hydrogen 3.004 N/A SER 169.A OG HIS 166.A O no hydrogen 3.029 N/A PHE 170.A N LEU 167.A O no hydrogen 3.486 N/A CYS 171.A SG LEU 167.A O no hydrogen 3.421 N/A SER 172.A N ALA 180.A O no hydrogen 3.210 N/A SER 172.A OG ALA 213.A O no hydrogen 2.585 N/A SER 172.A OG CYS 215.A O no hydrogen 3.412 N/A ALA 174.A N LEU 178.A O no hydrogen 2.736 N/A LEU 178.A N GLY 175.A O no hydrogen 2.956 N/A ILE 179.A N ASP 203.A O no hydrogen 2.981 N/A ALA 180.A N SER 172.A O no hydrogen 2.713 N/A ILE 181.A N LEU 205.A O no hydrogen 2.930 N/A GLY 182.A N PHE 170.A O no hydrogen 3.085 N/A SER 183.A OG VAL 207.A O no hydrogen 2.986 N/A SER 184.A N ASP 210.A OD1 no hydrogen 3.133 N/A SER 184.A OG ASP 210.A OD1 no hydrogen 3.450 N/A SER 184.A OG ASP 210.A OD2 no hydrogen 2.518 N/A ALA 187.A N SER 184.A OG no hydrogen 3.066 N/A GLN 188.A N SER 184.A O no hydrogen 2.989 N/A LYS 189.A N GLU 185.A O no hydrogen 2.952 N/A LYS 189.A NZ GLU 185.A OE2 no hydrogen 2.540 N/A ALA 190.A N SER 186.A O no hydrogen 3.008 N/A LEU 191.A N ALA 187.A O no hydrogen 3.004 N/A LYS 192.A N GLN 188.A O no hydrogen 3.051 N/A ILE 193.A N LYS 189.A O no hydrogen 3.231 N/A MET 194.A N ALA 190.A O no hydrogen 2.991 N/A GLN 195.A N LEU 191.A O no hydrogen 2.883 N/A GLN 195.A NE2 TYR 202.A O no hydrogen 3.166 N/A GLN 196.A N LYS 192.A O no hydrogen 2.983 N/A MET 197.A N ILE 193.A O no hydrogen 3.028 N/A SER 198.A N MET 194.A O no hydrogen 3.158 N/A SER 198.A OG GLU 130.A OE2 no hydrogen 2.563 N/A SER 198.A OG HIS 200.A O no hydrogen 2.831 N/A HIS 200.A N SER 198.A OG no hydrogen 3.032 N/A TYR 202.A N GLN 195.A OE1 no hydrogen 2.984 N/A TYR 202.A OH THR 127.A OG1 no hydrogen 2.500 N/A TYR 202.A OH GLU 130.A OE2 no hydrogen 2.655 N/A ASP 203.A N ASN 177.A O no hydrogen 2.880 N/A LEU 205.A N ILE 179.A O no hydrogen 2.965 N/A VAL 207.A N ILE 181.A O no hydrogen 2.953 N/A ASP 209.A N SER 238.A OG no hydrogen 3.137 N/A ALA 212.A N ASP 209.A O no hydrogen 2.836 N/A ALA 213.A N ASP 210.A O no hydrogen 2.835 N/A ASN 214.A N ILE 211.A O no hydrogen 3.187 N/A ASN 214.A ND2 LYS 168.A O no hydrogen 2.750 N/A ASN 214.A ND2 THR 266.A OG1 no hydrogen 2.899 N/A CYS 215.A N SER 172.A OG no hydrogen 2.921 N/A CYS 215.A SG SER 172.A OG no hydrogen 3.534 N/A CYS 215.A SG MET 173.A O no hydrogen 3.477 N/A ILE 216.A N LEU 228.A O no hydrogen 2.991 N/A TYR 217.A OH HIS 225.A ND1 no hydrogen 2.589 N/A LEU 218.A N VAL 226.A O no hydrogen 2.793 N/A ASN 219.A N GLY 4.A O no hydrogen 2.905 N/A ILE 220.A N GLY 224.A O no hydrogen 3.009 N/A LYS 223.A N ILE 220.A O no hydrogen 3.000 N/A GLY 224.A N ILE 220.A O no hydrogen 2.698 N/A HIS 225.A ND1 TYR 217.A OH no hydrogen 2.589 N/A VAL 226.A N LEU 218.A O no hydrogen 2.764 N/A LEU 227.A N MET 249.A O no hydrogen 2.959 N/A LEU 228.A N ILE 216.A O no hydrogen 2.829 N/A HIS 229.A N ILE 251.A O no hydrogen 3.127 N/A ARG 230.A NE GLU 234.A OE1 no hydrogen 2.973 N/A ARG 230.A NE GLU 234.A OE2 no hydrogen 3.225 N/A ARG 230.A NH2 GLU 234.A OE2 no hydrogen 2.606 N/A ARG 230.A NH2 GLU 259.A OE1 no hydrogen 2.584 N/A THR 231.A N GLU 234.A OE1 no hydrogen 3.086 N/A THR 231.A OG1 GLU 234.A OE1 no hydrogen 3.546 N/A GLU 234.A N THR 231.A OG1 no hydrogen 3.161 N/A TYR 235.A N THR 231.A O no hydrogen 2.814 N/A TYR 235.A OH GLU 259.A OE1 no hydrogen 2.900 N/A TYR 235.A OH GLU 259.A OE2 no hydrogen 2.713 N/A SER 238.A N TYR 235.A O no hydrogen 3.168 N/A SER 238.A OG ASP 209.A OD1 no hydrogen 2.516 N/A ALA 239.A N TYR 235.A O no hydrogen 2.825 N/A LYS 240.A N PRO 236.A O no hydrogen 3.088 N/A LYS 240.A NZ GLU 237.A OE1 no hydrogen 3.247 N/A LYS 240.A NZ GLU 237.A OE2 no hydrogen 3.562 N/A VAL 241.A N SER 238.A O no hydrogen 2.971 N/A TYR 242.A N SER 238.A O no hydrogen 3.319 N/A TYR 242.A OH ALA 212.A O no hydrogen 2.648 N/A GLU 243.A N ALA 239.A O no hydrogen 2.990 N/A LYS 244.A N VAL 241.A O no hydrogen 3.139 N/A LEU 245.A N TYR 242.A O no hydrogen 3.009 N/A HIS 248.A N LEU 245.A O no hydrogen 3.177 N/A HIS 248.A NE2 ALA 174.A O no hydrogen 3.116 N/A MET 249.A N HIS 225.A O no hydrogen 2.690 N/A ILE 251.A N LEU 227.A O no hydrogen 2.906 N/A VAL 253.A N HIS 229.A O no hydrogen 2.810 N/A SER 254.A OG GLU 234.A OE2 no hydrogen 3.310 N/A MET 255.A N GLU 234.A OE2 no hydrogen 2.874 N/A SER 256.A N SER 254.A OG no hydrogen 3.367 N/A GLU 257.A N GLN 39.A OE1 no hydrogen 3.059 N/A GLU 259.A N MET 255.A O no hydrogen 2.908 N/A LYS 260.A N GLU 257.A O no hydrogen 2.836 N/A LYS 260.A NZ GLU 30.A O no hydrogen 2.823 N/A LYS 260.A NZ GLU 257.A OE1 no hydrogen 2.872 N/A LYS 260.A NZ GLU 257.A OE2 no hydrogen 3.454 N/A VAL 261.A N LEU 258.A O no hydrogen 2.976 N/A ASP 262.A N GLU 259.A O no hydrogen 2.960 N/A GLY 263.A N LEU 258.A O no hydrogen 2.737 N/A THR 266.A N ASN 214.A OD1 no hydrogen 2.897 N/A THR 266.A OG1 GLU 71.A OE1 no hydrogen 3.484 N/A THR 266.A OG1 GLU 71.A OE2 no hydrogen 2.724 N/A CYS 268.A N LEU 265.A O no hydrogen 3.385 N/A CYS 268.A SG LEU 264.A O no hydrogen 3.781 N/A SER 269.A N THR 266.A O no hydrogen 3.397 N/A SER 269.A OG TYR 43.A OH no hydrogen 2.822 N/A VAL 270.A N VAL 10.A O no hydrogen 2.957 N/A ILE 272.A N HIS 8.A O no hydrogen 2.941 N/A LYS 274.A N THR 7.A OG1 no hydrogen 2.783 N/A