Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a81_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N THR 14.A O no hydrogen 2.820 N/A GLU 5.A N VAL 12.A O no hydrogen 3.043 N/A ASN 6.A ND2 ASP 8.A O no hydrogen 3.166 N/A SER 7.A N VAL 10.A O no hydrogen 2.820 N/A SER 7.A OG HIS 193.A NE2 no hydrogen 3.389 N/A VAL 10.A N SER 7.A O no hydrogen 3.183 N/A ARG 11.A N ALA 47.A O no hydrogen 2.964 N/A ARG 11.A NH2 ASP 42.A OD2 no hydrogen 3.389 N/A VAL 12.A N GLU 5.A O no hydrogen 2.868 N/A ILE 13.A N VAL 49.A O no hydrogen 2.793 N/A THR 14.A N PHE 3.A O no hydrogen 2.887 N/A LEU 15.A N TYR 51.A O no hydrogen 2.830 N/A ASP 16.A N MET 1.A O no hydrogen 2.715 N/A HIS 17.A N ASN 22.A OD1 no hydrogen 3.023 N/A ASN 19.A N HIS 17.A ND1 no hydrogen 3.026 N/A HIS 21.A N ASN 19.A OD1 no hydrogen 3.034 N/A HIS 21.A ND1 SER 57.A OG no hydrogen 2.708 N/A ASN 22.A N ASN 19.A O no hydrogen 2.966 N/A ASN 22.A ND2 LEU 15.A O no hydrogen 3.478 N/A ASN 22.A ND2 GLY 52.A O no hydrogen 2.698 N/A ASN 22.A ND2 SER 57.A O no hydrogen 3.007 N/A PHE 24.A N GLY 61.A O no hydrogen 2.717 N/A SER 25.A N PRO 23.A O no hydrogen 2.957 N/A LEU 28.A N SER 25.A OG no hydrogen 3.218 N/A GLU 29.A N SER 25.A O no hydrogen 3.039 N/A THR 30.A N ARG 26.A O no hydrogen 3.232 N/A THR 30.A OG1 ARG 26.A O no hydrogen 2.690 N/A SER 31.A N THR 27.A O no hydrogen 3.159 N/A SER 31.A OG THR 27.A O no hydrogen 2.940 N/A VAL 32.A N LEU 28.A O no hydrogen 2.929 N/A LYS 33.A N GLU 29.A O no hydrogen 2.807 N/A ASP 34.A N THR 30.A O no hydrogen 2.823 N/A ALA 35.A N SER 31.A O no hydrogen 2.852 N/A LEU 36.A N VAL 32.A O no hydrogen 3.100 N/A ALA 37.A N LYS 33.A O no hydrogen 2.937 N/A ARG 38.A N ASP 34.A O no hydrogen 3.047 N/A ARG 38.A NE GLU 4.A OE2 no hydrogen 3.118 N/A ARG 38.A NH2 GLU 4.A OE2 no hydrogen 2.874 N/A ALA 39.A N ALA 35.A O no hydrogen 2.985 N/A ASN 40.A N LEU 36.A O no hydrogen 2.972 N/A ALA 41.A N ALA 37.A O no hydrogen 2.881 N/A SER 44.A N ASP 42.A OD1 no hydrogen 3.061 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 3.023 N/A SER 44.A OG ASP 42.A OD2 no hydrogen 2.920 N/A VAL 45.A N ASP 42.A O no hydrogen 3.207 N/A ARG 46.A N GLU 9.A O no hydrogen 2.781 N/A VAL 48.A N PRO 96.A O no hydrogen 2.928 N/A VAL 49.A N ARG 11.A O no hydrogen 2.964 N/A VAL 50.A N ILE 98.A O no hydrogen 3.009 N/A TYR 51.A N ILE 13.A O no hydrogen 2.912 N/A ARG 56.A N GLY 53.A O no hydrogen 3.142 N/A ARG 56.A NE GLY 52.A O no hydrogen 3.006 N/A ARG 56.A NH1 HIS 17.A O no hydrogen 3.515 N/A ARG 56.A NH2 LEU 15.A O no hydrogen 3.172 N/A ARG 56.A NH2 HIS 17.A O no hydrogen 3.131 N/A ARG 56.A NH2 ASN 22.A OD1 no hydrogen 2.650 N/A SER 57.A N LYS 20.A O no hydrogen 3.170 N/A SER 57.A OG HIS 21.A ND1 no hydrogen 2.708 N/A PHE 58.A N ASP 102.A O no hydrogen 2.915 N/A SER 59.A N TYR 104.A O no hydrogen 3.230 N/A SER 59.A OG ASN 22.A O no hydrogen 2.861 N/A ALA 60.A N HIS 21.A O no hydrogen 2.855 N/A GLY 61.A N SER 59.A OG no hydrogen 2.984 N/A ASP 63.A N PHE 24.A O no hydrogen 3.185 N/A ASN 65.A N ASP 63.A OD1 no hydrogen 3.086 N/A ASN 65.A ND2 ASP 63.A OD2 no hydrogen 3.387 N/A VAL 67.A N ASP 63.A O no hydrogen 2.961 N/A LYS 68.A N PHE 64.A O no hydrogen 2.992 N/A LEU 70.A N VAL 67.A O no hydrogen 3.148 N/A ILE 76.A N ARG 72.A O no hydrogen 3.256 N/A GLU 77.A N SER 73.A O no hydrogen 2.835 N/A GLU 78.A N GLU 74.A O no hydrogen 3.221 N/A TRP 79.A N ASP 75.A O no hydrogen 3.285 N/A ILE 80.A N ILE 76.A O no hydrogen 3.187 N/A ASP 81.A N GLU 77.A O no hydrogen 3.401 N/A ARG 82.A N GLU 78.A O no hydrogen 3.093 N/A ARG 82.A NE GLU 78.A OE2 no hydrogen 3.018 N/A ARG 82.A NH1 GLU 29.A OE1 no hydrogen 3.453 N/A VAL 83.A N TRP 79.A O no hydrogen 3.042 N/A ILE 84.A N ILE 80.A O no hydrogen 3.064 N/A ASP 85.A N ASP 81.A O no hydrogen 2.949 N/A LEU 86.A N ARG 82.A O no hydrogen 3.059 N/A TYR 87.A N VAL 83.A O no hydrogen 3.240 N/A TYR 87.A OH GLN 111.A OE1 no hydrogen 2.944 N/A GLN 88.A N ILE 84.A O no hydrogen 2.693 N/A GLN 88.A NE2 ILE 215.A O no hydrogen 3.614 N/A ALA 89.A N ASP 85.A O no hydrogen 2.781 N/A VAL 90.A N LEU 86.A O no hydrogen 3.305 N/A VAL 90.A N TYR 87.A O no hydrogen 3.268 N/A LEU 91.A N TYR 87.A O no hydrogen 3.170 N/A ASN 92.A N GLN 88.A O no hydrogen 2.863 N/A ASN 92.A ND2 GLN 88.A O no hydrogen 2.777 N/A VAL 93.A N VAL 90.A O no hydrogen 3.017 N/A ASN 94.A N ASN 40.A OD1 no hydrogen 2.922 N/A LYS 95.A NZ ALA 39.A O no hydrogen 2.678 N/A LYS 95.A NZ ASN 40.A O no hydrogen 3.228 N/A LYS 95.A NZ VAL 45.A O no hydrogen 2.757 N/A THR 97.A N ASP 117.A OD2 no hydrogen 3.202 N/A ILE 98.A N VAL 48.A O no hydrogen 2.863 N/A ALA 99.A N GLN 118.A O no hydrogen 2.968 N/A ALA 100.A N VAL 50.A O no hydrogen 2.939 N/A VAL 101.A N LEU 120.A O no hydrogen 2.812 N/A GLY 103.A N ASP 102.A OD1 no hydrogen 3.070 N/A TYR 104.A N SER 57.A OG no hydrogen 3.238 N/A ALA 105.A N ASN 126.A O no hydrogen 2.888 N/A ILE 106.A N SER 59.A O no hydrogen 3.163 N/A GLY 107.A N VAL 128.A O no hydrogen 2.767 N/A GLY 109.A N ILE 106.A O no hydrogen 2.604 N/A GLN 111.A N GLY 107.A O no hydrogen 3.002 N/A PHE 112.A N MET 108.A O no hydrogen 2.883 N/A ALA 113.A N GLY 109.A O no hydrogen 3.044 N/A LEU 114.A N PHE 110.A O no hydrogen 3.174 N/A MET 115.A N PHE 112.A O no hydrogen 3.119 N/A PHE 116.A N ALA 113.A O no hydrogen 3.167 N/A ASP 117.A N THR 97.A O no hydrogen 2.969 N/A ASP 117.A N THR 97.A OG1 no hydrogen 3.212 N/A GLN 118.A N THR 97.A O no hydrogen 3.184 N/A GLN 118.A NE2 ASP 117.A O no hydrogen 3.186 N/A ARG 119.A N ASN 176.A OD1 no hydrogen 2.838 N/A ARG 119.A NE LEU 174.A O no hydrogen 2.981 N/A ARG 119.A NH1 ALA 113.A O no hydrogen 2.953 N/A ARG 119.A NH1 PHE 116.A O no hydrogen 2.974 N/A LEU 120.A N ALA 99.A O no hydrogen 3.104 N/A MET 121.A N GLN 177.A O no hydrogen 2.985 N/A ALA 122.A N VAL 101.A O no hydrogen 2.864 N/A SER 123.A N VAL 179.A O no hydrogen 2.713 N/A SER 123.A OG GLU 180.A OE1 no hydrogen 2.806 N/A THR 124.A OG1 SER 181.A OG no hydrogen 3.037 N/A ALA 125.A N ALA 122.A O no hydrogen 3.152 N/A ASN 126.A N GLY 103.A O no hydrogen 2.852 N/A PHE 127.A N LEU 164.A O no hydrogen 2.980 N/A VAL 128.A N ALA 105.A O no hydrogen 2.943 N/A HIS 134.A N PRO 130.A O no hydrogen 3.286 N/A HIS 134.A N GLU 131.A O no hydrogen 2.813 N/A GLY 135.A N LEU 132.A O no hydrogen 3.219 N/A ILE 136.A N GLU 131.A O no hydrogen 3.005 N/A CYS 138.A SG GLU 131.A OE1 no hydrogen 3.902 N/A SER 139.A OG SER 225.A OG no hydrogen 2.697 N/A ALA 142.A N CYS 138.A O no hydrogen 2.908 N/A ALA 143.A N SER 139.A O no hydrogen 2.893 N/A ILE 144.A N VAL 140.A O no hydrogen 2.993 N/A LEU 145.A N GLY 141.A O no hydrogen 2.884 N/A GLY 146.A N ALA 142.A O no hydrogen 2.784 N/A PHE 147.A N ALA 143.A O no hydrogen 3.136 N/A THR 148.A N ILE 144.A O no hydrogen 2.927 N/A THR 148.A OG1 ILE 144.A O no hydrogen 3.382 N/A THR 148.A OG1 LEU 145.A O no hydrogen 3.324 N/A THR 148.A OG1 HIS 149.A ND1 no hydrogen 2.727 N/A HIS 149.A N LEU 145.A O no hydrogen 2.884 N/A HIS 149.A ND1 THR 148.A OG1 no hydrogen 2.727 N/A HIS 149.A NE2 ARG 173.A O no hydrogen 2.897 N/A GLY 150.A N GLY 146.A O no hydrogen 2.938 N/A THR 153.A OG1 HIS 149.A O no hydrogen 3.233 N/A MET 154.A N GLY 150.A O no hydrogen 3.243 N/A GLN 155.A N PHE 151.A O no hydrogen 2.922 N/A GLU 156.A N SER 152.A O no hydrogen 3.156 N/A ILE 157.A N THR 153.A O no hydrogen 3.071 N/A ILE 158.A N MET 154.A O no hydrogen 2.961 N/A TYR 159.A N GLN 155.A O no hydrogen 3.056 N/A GLN 160.A N GLU 156.A O no hydrogen 2.906 N/A CYS 161.A N ILE 157.A O no hydrogen 3.016 N/A CYS 161.A SG MET 129.A O no hydrogen 3.833 N/A CYS 161.A SG ILE 158.A O no hydrogen 3.221 N/A LEU 164.A N PHE 127.A O no hydrogen 2.725 N/A ARG 168.A N ASP 165.A OD1 no hydrogen 3.320 N/A ARG 168.A NH1 GLN 162.A OE1 no hydrogen 3.161 N/A ARG 168.A NH2 GLN 160.A OE1 no hydrogen 3.290 N/A ARG 168.A NH2 GLN 162.A OE1 no hydrogen 3.320 N/A CYS 169.A N ASP 165.A O no hydrogen 3.085 N/A CYS 169.A SG LEU 164.A O no hydrogen 3.742 N/A CYS 169.A SG ASP 165.A O no hydrogen 3.191 N/A VAL 170.A N ALA 166.A O no hydrogen 2.873 N/A ASP 171.A N PRO 167.A O no hydrogen 3.050 N/A TYR 172.A N ARG 168.A O no hydrogen 2.919 N/A ARG 173.A N VAL 170.A O no hydrogen 2.887 N/A LEU 174.A N CYS 169.A O no hydrogen 2.777 N/A ASN 176.A N ARG 119.A O no hydrogen 2.665 N/A VAL 179.A N MET 121.A O no hydrogen 3.053 N/A SER 181.A OG ASP 102.A OD1 no hydrogen 3.183 N/A SER 181.A OG ASP 102.A OD2 no hydrogen 2.930 N/A SER 181.A OG THR 124.A OG1 no hydrogen 3.037 N/A ALA 183.A N GLU 180.A O no hydrogen 2.980 N/A LEU 184.A N SER 181.A O no hydrogen 3.229 N/A ALA 187.A N ALA 183.A O no hydrogen 3.089 N/A ALA 188.A N LEU 184.A O no hydrogen 3.000 N/A ILE 189.A N LEU 185.A O no hydrogen 2.930 N/A THR 190.A N ASP 186.A O no hydrogen 2.977 N/A THR 190.A OG1 ASP 186.A O no hydrogen 2.594 N/A GLN 191.A N ALA 187.A O no hydrogen 3.191 N/A ALA 192.A N ALA 188.A O no hydrogen 2.987 N/A HIS 193.A N ILE 189.A O no hydrogen 2.803 N/A VAL 194.A N THR 190.A O no hydrogen 2.899 N/A MET 195.A N GLN 191.A O no hydrogen 3.034 N/A ALA 196.A N ALA 192.A O no hydrogen 2.780 N/A SER 197.A N HIS 193.A O no hydrogen 3.088 N/A SER 197.A N VAL 194.A O no hydrogen 3.231 N/A SER 197.A OG HIS 193.A O no hydrogen 3.419 N/A SER 197.A OG VAL 194.A O no hydrogen 2.323 N/A TYR 198.A N MET 195.A O no hydrogen 3.132 N/A PHE 203.A N PRO 199.A O no hydrogen 3.197 N/A ILE 204.A N ALA 200.A O no hydrogen 2.964 N/A ASN 205.A N SER 201.A O no hydrogen 3.395 N/A THR 206.A N ALA 202.A O no hydrogen 3.137 N/A THR 206.A OG1 ALA 202.A O no hydrogen 2.773 N/A LYS 207.A N PHE 203.A O no hydrogen 2.986 N/A LYS 207.A NZ VAL 93.A O no hydrogen 3.067 N/A LYS 207.A NZ LYS 95.A O no hydrogen 2.651 N/A LYS 207.A NZ THR 97.A OG1 no hydrogen 3.264 N/A LYS 207.A NZ ASP 117.A OD1 no hydrogen 3.157 N/A LYS 207.A NZ ASP 117.A OD2 no hydrogen 2.610 N/A ARG 208.A N ILE 204.A O no hydrogen 2.981 N/A ALA 209.A N ASN 205.A O no hydrogen 3.280 N/A VAL 210.A N THR 206.A O no hydrogen 2.867 N/A ASN 211.A N LYS 207.A O no hydrogen 2.845 N/A ASN 211.A ND2 LEU 91.A O no hydrogen 3.127 N/A ILE 215.A N ASN 211.A O no hydrogen 2.863 N/A HIS 216.A N LYS 212.A O no hydrogen 2.903 N/A LEU 217.A N PRO 213.A O no hydrogen 2.876 N/A LEU 218.A N PHE 214.A O no hydrogen 3.062 N/A GLU 219.A N ILE 215.A O no hydrogen 2.929 N/A GLN 220.A N HIS 216.A O no hydrogen 3.069 N/A THR 221.A N LEU 217.A O no hydrogen 2.890 N/A THR 221.A OG1 LEU 217.A O no hydrogen 3.040 N/A ARG 222.A N LEU 218.A O no hydrogen 3.192 N/A ARG 222.A NH1 ASP 81.A O no hydrogen 3.455 N/A ARG 222.A NH1 ASP 81.A OD1 no hydrogen 3.126 N/A ARG 222.A NH1 ASP 85.A OD1 no hydrogen 3.287 N/A ARG 222.A NH2 ASP 85.A OD1 no hydrogen 3.347 N/A ARG 222.A NH2 GLU 219.A OE1 no hydrogen 3.337 N/A SER 225.A N THR 221.A O no hydrogen 2.992 N/A SER 225.A OG SER 139.A OG no hydrogen 2.697 N/A SER 225.A OG THR 221.A O no hydrogen 3.474 N/A LYS 226.A N ARG 222.A O no hydrogen 3.271 N/A LYS 226.A NZ ASP 81.A OD1 no hydrogen 2.649 N/A LYS 226.A NZ ASP 81.A OD2 no hydrogen 3.124 N/A ALA 227.A N ASP 223.A O no hydrogen 3.365 N/A ALA 227.A N ALA 224.A O no hydrogen 3.071 N/A VAL 228.A N ALA 224.A O no hydrogen 3.358 N/A HIS 229.A N SER 225.A O no hydrogen 3.142 N/A LYS 230.A N LYS 226.A O no hydrogen 3.019 N/A ALA 231.A N ALA 227.A O no hydrogen 3.222 N/A ALA 232.A N VAL 228.A O no hydrogen 2.657 N/A PHE 233.A N HIS 229.A O no hydrogen 2.980 N/A GLN 234.A N ALA 232.A O no hydrogen 2.519 N/A GLN 234.A NE2 LYS 230.A O no hydrogen 3.618 N/A