Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ai1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 7.A N GLY 31.A O no hydrogen 3.011 N/A LYS 8.A N ILE 5.A O no hydrogen 2.975 N/A LYS 8.A NZ GLY 4.A O no hydrogen 3.078 N/A VAL 9.A N ASP 87.A OD2 no hydrogen 2.933 N/A ALA 10.A N HIS 33.A O no hydrogen 2.743 N/A VAL 11.A N ILE 88.A O no hydrogen 2.778 N/A ILE 12.A N VAL 35.A O no hydrogen 3.041 N/A THR 13.A N VAL 90.A O no hydrogen 3.148 N/A THR 13.A OG1 VAL 90.A O no hydrogen 3.543 N/A SER 15.A N VAL 37.A O no hydrogen 3.161 N/A SER 15.A OG ILE 12.A O no hydrogen 2.745 N/A SER 15.A OG VAL 37.A O no hydrogen 3.254 N/A LEU 21.A N SER 17.A O no hydrogen 3.268 N/A ALA 22.A N GLY 18.A O no hydrogen 3.029 N/A ILE 23.A N ILE 19.A O no hydrogen 2.791 N/A ALA 24.A N GLY 20.A O no hydrogen 3.024 N/A GLU 25.A N LEU 21.A O no hydrogen 2.922 N/A GLY 26.A N ALA 22.A O no hydrogen 3.083 N/A PHE 27.A N ILE 23.A O no hydrogen 3.054 N/A ALA 28.A N ALA 24.A O no hydrogen 2.931 N/A LYS 29.A N GLU 25.A O no hydrogen 2.899 N/A GLU 30.A N PHE 27.A O no hydrogen 2.962 N/A GLY 31.A N ALA 28.A O no hydrogen 3.038 N/A ALA 32.A N PHE 27.A O no hydrogen 3.144 N/A HIS 33.A N LYS 8.A O no hydrogen 2.750 N/A ILE 34.A N ARG 58.A O no hydrogen 2.923 N/A VAL 35.A N ALA 10.A O no hydrogen 2.773 N/A LEU 36.A N LEU 60.A O no hydrogen 2.702 N/A VAL 37.A N ILE 12.A O no hydrogen 3.066 N/A VAL 37.A N SER 15.A OG no hydrogen 3.192 N/A ALA 38.A N VAL 62.A O no hydrogen 3.278 N/A ARG 43.A NE GLN 40.A OE1 no hydrogen 3.177 N/A LEU 44.A N GLN 40.A O no hydrogen 3.237 N/A HIS 45.A N VAL 41.A O no hydrogen 3.140 N/A GLU 46.A N ASP 42.A O no hydrogen 3.233 N/A ALA 47.A N ARG 43.A O no hydrogen 3.085 N/A ALA 48.A N LEU 44.A O no hydrogen 2.926 N/A ARG 49.A N HIS 45.A O no hydrogen 3.168 N/A SER 50.A N GLU 46.A O no hydrogen 3.199 N/A SER 50.A OG GLU 46.A O no hydrogen 3.216 N/A LEU 51.A N ALA 47.A O no hydrogen 3.113 N/A LYS 52.A N ALA 48.A O no hydrogen 3.133 N/A GLU 53.A N ARG 49.A O no hydrogen 3.123 N/A LYS 54.A N SER 50.A O no hydrogen 2.855 N/A LYS 54.A NZ GLU 25.A OE1 no hydrogen 3.339 N/A PHE 55.A N LEU 51.A O no hydrogen 3.133 N/A ARG 58.A N HIS 33.A ND1 no hydrogen 3.072 N/A LEU 60.A N ILE 34.A O no hydrogen 2.819 N/A VAL 62.A N LEU 36.A O no hydrogen 2.831 N/A VAL 64.A N ALA 38.A O no hydrogen 2.942 N/A ALA 67.A N ASP 65.A OD1 no hydrogen 3.279 N/A THR 68.A N ASP 65.A O no hydrogen 3.298 N/A THR 68.A OG1 ASP 65.A O no hydrogen 2.817 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.828 N/A GLY 71.A N THR 68.A OG1 no hydrogen 3.204 N/A VAL 72.A N THR 68.A O no hydrogen 3.382 N/A ASP 73.A N PRO 69.A O no hydrogen 3.021 N/A ALA 74.A N GLU 70.A O no hydrogen 3.094 N/A VAL 75.A N GLY 71.A O no hydrogen 3.269 N/A VAL 76.A N VAL 72.A O no hydrogen 3.019 N/A GLU 77.A N ASP 73.A O no hydrogen 3.053 N/A SER 78.A N ALA 74.A O no hydrogen 3.016 N/A VAL 79.A N VAL 75.A O no hydrogen 2.989 N/A ARG 80.A N VAL 76.A O no hydrogen 2.906 N/A SER 81.A N GLU 77.A O no hydrogen 2.961 N/A SER 81.A OG GLU 77.A O no hydrogen 2.976 N/A SER 82.A N SER 78.A O no hydrogen 3.105 N/A PHE 83.A N VAL 79.A O no hydrogen 2.780 N/A GLY 84.A N VAL 79.A O no hydrogen 2.882 N/A ASP 87.A N VAL 9.A O no hydrogen 3.006 N/A ILE 88.A N VAL 9.A O no hydrogen 2.959 N/A LEU 89.A N ALA 138.A O no hydrogen 2.955 N/A VAL 90.A N VAL 11.A O no hydrogen 2.793 N/A ASN 91.A N ILE 140.A O no hydrogen 2.881 N/A ASN 92.A N THR 13.A OG1 no hydrogen 2.892 N/A ASN 92.A ND2 ASN 142.A OD1 no hydrogen 2.755 N/A ALA 93.A N THR 13.A OG1 no hydrogen 2.944 N/A THR 95.A N HIS 116.A NE2 no hydrogen 3.252 N/A THR 95.A OG1 GLY 96.A O no hydrogen 3.355 N/A SER 97.A N GLU 154.A OE2 no hydrogen 3.205 N/A SER 97.A OG GLU 99.A OE1 no hydrogen 3.195 N/A SER 97.A OG GLU 99.A OE2 no hydrogen 2.828 N/A ASN 98.A N GLU 99.A OE1 no hydrogen 2.947 N/A GLU 99.A N TYR 153.A O no hydrogen 2.918 N/A GLU 103.A N THR 100.A O no hydrogen 3.183 N/A GLU 103.A N THR 100.A OG1 no hydrogen 3.165 N/A ALA 104.A N THR 100.A O no hydrogen 2.941 N/A LYS 108.A N ALA 105.A O no hydrogen 3.090 N/A LYS 108.A NZ GLU 99.A OE1 no hydrogen 2.862 N/A TRP 109.A N ALA 105.A O no hydrogen 3.393 N/A GLN 110.A N ASP 106.A O no hydrogen 2.973 N/A PHE 111.A N GLU 107.A O no hydrogen 2.931 N/A TYR 112.A N LYS 108.A O no hydrogen 3.338 N/A TYR 112.A OH GLY 96.A O no hydrogen 3.289 N/A TRP 113.A N TRP 109.A O no hydrogen 3.247 N/A GLU 114.A N GLN 110.A O no hydrogen 2.861 N/A LEU 115.A N PHE 111.A O no hydrogen 2.833 N/A HIS 116.A N TYR 112.A O no hydrogen 2.819 N/A HIS 116.A ND1 THR 160.A OG1 no hydrogen 3.078 N/A VAL 117.A N TRP 113.A O no hydrogen 3.082 N/A MET 118.A N TRP 113.A O no hydrogen 2.921 N/A ALA 119.A N GLU 114.A O no hydrogen 2.941 N/A VAL 121.A N VAL 117.A O no hydrogen 3.067 N/A ARG 122.A N MET 118.A O no hydrogen 2.868 N/A ARG 122.A NH1 GLU 114.A OE1 no hydrogen 3.108 N/A ARG 122.A NH1 GLU 114.A OE2 no hydrogen 3.375 N/A ARG 122.A NH2 GLU 114.A OE2 no hydrogen 3.505 N/A LEU 123.A N ALA 119.A O no hydrogen 2.913 N/A ALA 124.A N ALA 120.A O no hydrogen 2.843 N/A ARG 125.A N VAL 121.A O no hydrogen 3.115 N/A GLY 126.A N ARG 122.A O no hydrogen 3.061 N/A LEU 127.A N LEU 123.A O no hydrogen 2.831 N/A LEU 127.A N ALA 124.A O no hydrogen 3.176 N/A VAL 128.A N ALA 124.A O no hydrogen 2.816 N/A MET 131.A N LEU 127.A O no hydrogen 3.014 N/A ARG 132.A N VAL 128.A O no hydrogen 2.842 N/A ALA 133.A N PRO 129.A O no hydrogen 3.206 N/A ARG 134.A N MET 131.A O no hydrogen 3.282 N/A ARG 134.A NE ASP 87.A OD1 no hydrogen 2.846 N/A ARG 134.A NH2 ASP 87.A OD1 no hydrogen 3.548 N/A ARG 134.A NH2 ASP 87.A OD2 no hydrogen 2.735 N/A GLY 135.A N ARG 132.A O no hydrogen 3.046 N/A GLY 136.A N MET 131.A O no hydrogen 2.936 N/A GLY 137.A N ASN 179.A O no hydrogen 3.085 N/A ALA 138.A N ASP 87.A O no hydrogen 2.956 N/A ILE 139.A N ARG 181.A O no hydrogen 2.847 N/A ILE 140.A N LEU 89.A O no hydrogen 2.916 N/A HIS 141.A N ASN 183.A O no hydrogen 3.007 N/A HIS 141.A ND1 SER 168.A OG no hydrogen 3.198 N/A ASN 142.A N ASN 91.A O no hydrogen 2.958 N/A ASN 142.A ND2 ILE 185.A O no hydrogen 3.683 N/A ALA 143.A N ILE 185.A O no hydrogen 3.005 N/A SER 144.A OG TYR 157.A OH no hydrogen 3.189 N/A ILE 145.A N PRO 187.A O no hydrogen 3.030 N/A CYS 146.A N SER 144.A OG no hydrogen 2.999 N/A CYS 146.A SG GLU 154.A OE1 no hydrogen 3.578 N/A ALA 147.A N SER 144.A O no hydrogen 3.066 N/A VAL 148.A N ILE 145.A O no hydrogen 3.188 N/A GLN 149.A N ILE 145.A O no hydrogen 2.760 N/A GLN 149.A NE2 MET 259.A O no hydrogen 3.321 N/A LEU 151.A N ASN 158.A OD1 no hydrogen 3.348 N/A GLU 154.A N LEU 151.A O no hydrogen 3.296 N/A ILE 156.A N GLU 99.A OE2 no hydrogen 3.049 N/A TYR 157.A N SER 97.A OG no hydrogen 3.259 N/A ASN 158.A N GLU 154.A O no hydrogen 3.104 N/A ASN 158.A ND2 LEU 151.A O no hydrogen 2.856 N/A VAL 159.A N PRO 155.A O no hydrogen 3.007 N/A THR 160.A N ILE 156.A O no hydrogen 3.035 N/A THR 160.A OG1 HIS 116.A ND1 no hydrogen 3.078 N/A THR 160.A OG1 ILE 156.A O no hydrogen 2.694 N/A THR 160.A OG1 TYR 157.A O no hydrogen 3.381 N/A LYS 161.A N TYR 157.A O no hydrogen 2.970 N/A LYS 161.A NZ ASN 142.A O no hydrogen 2.662 N/A LYS 161.A NZ ALA 143.A O no hydrogen 2.813 N/A ALA 162.A N ASN 158.A O no hydrogen 3.021 N/A ALA 163.A N VAL 159.A O no hydrogen 2.994 N/A LEU 164.A N THR 160.A O no hydrogen 3.022 N/A MET 165.A N LYS 161.A O no hydrogen 3.029 N/A MET 166.A N ALA 162.A O no hydrogen 3.230 N/A PHE 167.A N ALA 163.A O no hydrogen 2.806 N/A SER 168.A N LEU 164.A O no hydrogen 2.818 N/A SER 168.A OG HIS 141.A ND1 no hydrogen 3.198 N/A LYS 169.A N MET 165.A O no hydrogen 3.352 N/A LYS 169.A NZ GLY 250.A O no hydrogen 3.132 N/A THR 170.A N MET 166.A O no hydrogen 3.026 N/A THR 170.A OG1 MET 166.A O no hydrogen 3.365 N/A THR 170.A OG1 PHE 167.A O no hydrogen 2.785 N/A LEU 171.A N PHE 167.A O no hydrogen 2.871 N/A ALA 172.A N SER 168.A O no hydrogen 3.002 N/A THR 173.A N LYS 169.A O no hydrogen 3.236 N/A THR 173.A OG1 LYS 169.A O no hydrogen 3.480 N/A GLU 174.A N LEU 171.A O no hydrogen 3.020 N/A VAL 175.A N LEU 171.A O no hydrogen 2.966 N/A ILE 176.A N ALA 172.A O no hydrogen 3.303 N/A LYS 177.A NZ GLU 174.A O no hydrogen 3.054 N/A ASP 178.A N VAL 175.A O no hydrogen 2.921 N/A ASN 179.A N ILE 176.A O no hydrogen 3.002 N/A ASN 179.A ND2 GLY 135.A O no hydrogen 3.143 N/A ILE 180.A N VAL 175.A O no hydrogen 3.357 N/A ARG 181.A N GLY 137.A O no hydrogen 2.974 N/A ARG 181.A NH2 LEU 240.A O no hydrogen 2.969 N/A ARG 181.A NH2 SER 242.A O no hydrogen 2.779 N/A ASN 183.A N ILE 139.A O no hydrogen 2.901 N/A ASN 183.A ND2 SER 248.A O no hydrogen 2.769 N/A CYS 184.A N SER 251.A O no hydrogen 2.815 N/A CYS 184.A SG HIS 141.A O no hydrogen 3.609 N/A CYS 184.A SG ASN 186.A OD1 no hydrogen 3.943 N/A ILE 185.A N HIS 141.A O no hydrogen 2.834 N/A ASN 186.A N TYR 253.A O no hydrogen 2.754 N/A ASN 186.A ND2 SER 144.A O no hydrogen 2.828 N/A GLY 188.A N VAL 255.A O no hydrogen 2.760 N/A LEU 191.A N ALA 228.A O no hydrogen 2.754 N/A ILE 196.A N THR 192.A O no hydrogen 3.087 N/A LYS 197.A N PRO 193.A O no hydrogen 2.794 N/A THR 198.A N ASP 194.A O no hydrogen 2.786 N/A THR 198.A OG1 ASP 194.A O no hydrogen 2.606 N/A ALA 199.A N TRP 195.A O no hydrogen 2.843 N/A LYS 200.A N ILE 196.A O no hydrogen 3.016 N/A GLU 201.A N LYS 197.A O no hydrogen 3.092 N/A LEU 202.A N THR 198.A O no hydrogen 2.926 N/A THR 203.A N ALA 199.A O no hydrogen 3.256 N/A THR 203.A OG1 ALA 199.A O no hydrogen 2.841 N/A LYS 204.A N GLU 201.A O no hydrogen 3.416 N/A ASN 206.A N THR 203.A O no hydrogen 3.232 N/A GLY 208.A N THR 203.A O no hydrogen 2.791 N/A GLY 212.A N ASP 209.A OD2 no hydrogen 3.286 N/A TYR 213.A N ASP 209.A O no hydrogen 3.131 N/A LEU 214.A N TRP 210.A O no hydrogen 3.056 N/A GLN 215.A N LYS 211.A O no hydrogen 2.918 N/A GLN 215.A NE2 ASP 219.A OD2 no hydrogen 2.674 N/A GLN 215.A NE2 LYS 225.A O no hydrogen 2.734 N/A SER 216.A N GLY 212.A O no hydrogen 3.127 N/A SER 216.A OG TYR 213.A O no hydrogen 2.788 N/A VAL 217.A N TYR 213.A O no hydrogen 3.080 N/A ALA 218.A N LEU 214.A O no hydrogen 3.065 N/A ASP 219.A N GLN 215.A O no hydrogen 2.895 N/A GLU 220.A N SER 216.A O no hydrogen 3.183 N/A HIS 221.A N VAL 217.A O no hydrogen 3.114 N/A HIS 221.A N ALA 218.A O no hydrogen 3.215 N/A ALA 222.A N ALA 218.A O no hydrogen 2.733 N/A ILE 224.A N GLY 257.A O no hydrogen 3.344 N/A LYS 225.A N ALA 222.A O no hydrogen 2.814 N/A LYS 225.A NZ ASP 219.A O no hydrogen 3.077 N/A LYS 225.A NZ ALA 222.A O no hydrogen 3.116 N/A ARG 226.A NH1 PHE 227.A O no hydrogen 3.133 N/A ARG 226.A NH1 GLU 232.A OE1 no hydrogen 2.900 N/A ARG 226.A NH2 GLU 232.A OE2 no hydrogen 3.329 N/A ALA 228.A N LEU 189.A O no hydrogen 2.916 N/A SER 229.A N GLU 232.A OE1 no hydrogen 2.839 N/A SER 229.A OG GLU 232.A OE1 no hydrogen 3.442 N/A GLU 232.A N SER 229.A O no hydrogen 3.159 N/A GLU 232.A N SER 229.A OG no hydrogen 3.196 N/A LEU 233.A N PRO 230.A O no hydrogen 3.153 N/A ALA 234.A N PRO 230.A O no hydrogen 2.981 N/A ASN 235.A N GLU 231.A O no hydrogen 3.353 N/A PHE 236.A N LEU 233.A O no hydrogen 2.986 N/A VAL 238.A N ALA 234.A O no hydrogen 2.971 N/A PHE 239.A N ASN 235.A O no hydrogen 3.024 N/A LEU 240.A N PHE 236.A O no hydrogen 3.074 N/A CYS 241.A N PHE 237.A O no hydrogen 3.169 N/A CYS 241.A N VAL 238.A O no hydrogen 3.126 N/A CYS 241.A SG PHE 237.A O no hydrogen 3.337 N/A SER 242.A N PHE 239.A O no hydrogen 3.183 N/A SER 242.A OG PHE 239.A O no hydrogen 2.573 N/A GLU 243.A N MET 3.A O no hydrogen 2.866 N/A ARG 244.A N SER 242.A OG no hydrogen 3.102 N/A ARG 244.A NE ASP 2.A O no hydrogen 2.905 N/A SER 248.A N ALA 245.A O no hydrogen 3.191 N/A SER 248.A OG TYR 253.A OH no hydrogen 2.631 N/A GLY 250.A N VAL 182.A O no hydrogen 2.669 N/A SER 251.A N ASN 183.A OD1 no hydrogen 3.123 N/A TYR 253.A N CYS 184.A O no hydrogen 2.762 N/A VAL 255.A N ASN 186.A O no hydrogen 3.032 N/A GLY 258.A N ASP 256.A OD1 no hydrogen 2.955 N/A MET 259.A N ASP 256.A O no hydrogen 2.919 N/A LEU 260.A N ASP 256.A OD2 no hydrogen 3.404 N/A LYS 261.A N GLN 149.A OE1 no hydrogen 2.858 N/A