Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N GLN 31.A O no hydrogen 2.815 N/A ASP 5.A N GLY 2.A O no hydrogen 3.147 N/A GLY 6.A N GLY 32.A O no hydrogen 3.409 N/A LYS 7.A N LEU 4.A O no hydrogen 2.823 N/A LYS 7.A NZ ASP 247.A OD1 no hydrogen 2.817 N/A ARG 8.A N ASP 88.A OD2 no hydrogen 2.988 N/A ILE 9.A N GLN 34.A O no hydrogen 2.835 N/A LEU 10.A N GLY 89.A O no hydrogen 2.921 N/A VAL 11.A N VAL 36.A O no hydrogen 2.786 N/A SER 12.A N VAL 91.A O no hydrogen 3.051 N/A SER 12.A OG VAL 91.A O no hydrogen 2.613 N/A ILE 15.A N SER 19.A OG no hydrogen 2.980 N/A THR 16.A N SER 19.A OG no hydrogen 2.984 N/A THR 16.A OG1 SER 18.A OG no hydrogen 3.035 N/A SER 18.A N THR 16.A OG1 no hydrogen 3.099 N/A SER 18.A OG THR 16.A OG1 no hydrogen 3.035 N/A SER 19.A N THR 16.A O no hydrogen 3.145 N/A SER 19.A OG THR 16.A O no hydrogen 3.122 N/A PHE 22.A N SER 19.A O no hydrogen 3.024 N/A HIS 23.A ND1 SER 19.A O no hydrogen 3.273 N/A ILE 24.A N ILE 20.A O no hydrogen 3.004 N/A ALA 25.A N ALA 21.A O no hydrogen 2.830 N/A ARG 26.A N PHE 22.A O no hydrogen 2.811 N/A ARG 26.A NH1 GLU 30.A OE2 no hydrogen 3.085 N/A ARG 26.A NH2 THR 235.A OG1 no hydrogen 2.914 N/A VAL 27.A N HIS 23.A O no hydrogen 2.878 N/A ALA 28.A N ILE 24.A O no hydrogen 2.910 N/A GLN 29.A N ALA 25.A O no hydrogen 2.989 N/A GLN 29.A NE2 ALA 55.A O no hydrogen 3.109 N/A GLU 30.A N ARG 26.A O no hydrogen 2.935 N/A GLN 31.A N ALA 28.A O no hydrogen 2.790 N/A GLY 32.A N GLN 29.A O no hydrogen 3.010 N/A ALA 33.A N ALA 28.A O no hydrogen 3.089 N/A GLN 34.A N LYS 7.A O no hydrogen 2.752 N/A VAL 36.A N ILE 9.A O no hydrogen 3.037 N/A LEU 37.A N PRO 58.A O no hydrogen 2.727 N/A THR 38.A N VAL 11.A O no hydrogen 2.960 N/A GLY 39.A N LEU 60.A O no hydrogen 3.056 N/A THR 46.A N ARG 42.A O no hydrogen 2.946 N/A THR 46.A OG1 ILE 14.A O no hydrogen 3.153 N/A THR 46.A OG1 ARG 42.A O no hydrogen 3.244 N/A GLN 47.A N LEU 43.A O no hydrogen 2.931 N/A ARG 48.A N ARG 44.A O no hydrogen 3.032 N/A ILE 49.A N LEU 45.A O no hydrogen 2.765 N/A THR 50.A N THR 46.A O no hydrogen 2.630 N/A THR 50.A OG1 THR 46.A O no hydrogen 2.757 N/A THR 50.A OG1 GLN 47.A O no hydrogen 3.057 N/A THR 50.A OG1 GLN 47.A OE1 no hydrogen 3.560 N/A ASP 51.A N GLN 47.A O no hydrogen 2.897 N/A ARG 52.A N ILE 49.A O no hydrogen 3.147 N/A ARG 52.A NH1 ARG 48.A O no hydrogen 2.913 N/A LEU 53.A N THR 50.A O no hydrogen 2.721 N/A ALA 55.A N GLN 29.A OE1 no hydrogen 3.072 N/A LEU 60.A N LEU 37.A O no hydrogen 2.799 N/A LEU 62.A N GLY 39.A O no hydrogen 2.860 N/A ASP 63.A N HIS 69.A ND1 no hydrogen 2.831 N/A GLN 65.A N ASP 63.A OD1 no hydrogen 2.816 N/A GLN 65.A NE2 HIS 120.A ND1 no hydrogen 3.016 N/A ASN 66.A N ASP 63.A O no hydrogen 2.534 N/A HIS 69.A N ASN 66.A OD1 no hydrogen 3.010 N/A LEU 70.A N ASN 66.A O no hydrogen 3.248 N/A ALA 71.A N GLU 67.A O no hydrogen 2.907 N/A SER 72.A N GLU 68.A O no hydrogen 2.949 N/A SER 72.A OG GLU 68.A O no hydrogen 2.964 N/A SER 72.A OG GLU 68.A OE2 no hydrogen 3.270 N/A SER 72.A OG HIS 69.A O no hydrogen 3.195 N/A LEU 73.A N LEU 70.A O no hydrogen 3.242 N/A ARG 76.A N SER 72.A O no hydrogen 3.002 N/A ARG 76.A NE SER 72.A OG no hydrogen 2.760 N/A ARG 76.A NH1 GLU 61.A O no hydrogen 2.665 N/A ARG 76.A NH2 GLU 61.A O no hydrogen 2.983 N/A ARG 76.A NH2 HIS 69.A O no hydrogen 2.618 N/A ARG 76.A NH2 SER 72.A OG no hydrogen 3.166 N/A VAL 77.A N LEU 73.A O no hydrogen 2.869 N/A THR 78.A N ALA 74.A O no hydrogen 2.806 N/A THR 78.A OG1 ALA 74.A O no hydrogen 2.785 N/A GLU 79.A N GLY 75.A O no hydrogen 2.821 N/A ALA 80.A N ARG 76.A O no hydrogen 2.978 N/A ILE 81.A N VAL 77.A O no hydrogen 2.870 N/A ASN 85.A N GLY 82.A O no hydrogen 2.990 N/A ASN 85.A ND2 ILE 81.A O no hydrogen 2.797 N/A ASN 85.A ND2 GLY 82.A O no hydrogen 3.641 N/A LYS 86.A NZ PRO 135.A O no hydrogen 3.065 N/A LEU 87.A N ILE 136.A O no hydrogen 2.874 N/A ASP 88.A N ARG 8.A O no hydrogen 2.739 N/A GLY 89.A N ARG 8.A O no hydrogen 3.111 N/A VAL 90.A N SER 142.A O no hydrogen 2.852 N/A VAL 91.A N LEU 10.A O no hydrogen 2.753 N/A HIS 92.A N VAL 144.A O no hydrogen 2.693 N/A HIS 92.A NE2 ILE 94.A O no hydrogen 3.160 N/A SER 93.A N SER 12.A OG no hydrogen 3.115 N/A PHE 96.A N SER 122.A OG no hydrogen 2.886 N/A THR 100.A OG1 ASP 114.A OD2 no hydrogen 2.429 N/A GLY 101.A N PRO 98.A O no hydrogen 2.756 N/A MET 102.A N GLN 99.A O no hydrogen 2.972 N/A GLY 103.A N ALA 156.A O no hydrogen 2.668 N/A ILE 104.A N LEU 206.A O no hydrogen 2.872 N/A ASP 109.A N PRO 106.A O no hydrogen 2.780 N/A ASP 114.A N PRO 111.A O no hydrogen 2.922 N/A VAL 115.A N PRO 111.A O no hydrogen 3.223 N/A SER 116.A N TYR 112.A O no hydrogen 2.665 N/A LYS 117.A N ALA 113.A O no hydrogen 2.988 N/A LYS 117.A NZ GLN 65.A OE1 no hydrogen 3.264 N/A GLY 118.A N ASP 114.A O no hydrogen 3.007 N/A ILE 119.A N VAL 115.A O no hydrogen 2.760 N/A HIS 120.A N SER 116.A O no hydrogen 2.842 N/A ILE 121.A N LYS 117.A O no hydrogen 3.115 N/A SER 122.A N GLY 118.A O no hydrogen 2.864 N/A SER 122.A OG PHE 96.A O no hydrogen 2.682 N/A SER 122.A OG GLY 118.A O no hydrogen 2.721 N/A ALA 123.A N ILE 119.A O no hydrogen 2.837 N/A TYR 124.A N ILE 119.A O no hydrogen 2.912 N/A SER 125.A N HIS 120.A O no hydrogen 2.818 N/A SER 125.A OG ILE 121.A O no hydrogen 2.431 N/A TYR 126.A N ALA 123.A O no hydrogen 3.064 N/A TYR 126.A OH SER 185.A OG no hydrogen 2.736 N/A SER 128.A N TYR 124.A O no hydrogen 3.068 N/A MET 129.A N SER 125.A O no hydrogen 2.757 N/A ALA 130.A N TYR 126.A O no hydrogen 3.159 N/A LYS 131.A N ALA 127.A O no hydrogen 2.756 N/A ALA 132.A N SER 128.A O no hydrogen 3.224 N/A LEU 133.A N MET 129.A O no hydrogen 3.039 N/A LEU 134.A N ALA 130.A O no hydrogen 2.982 N/A ILE 136.A N LEU 133.A O no hydrogen 2.988 N/A MET 137.A N LEU 134.A O no hydrogen 2.981 N/A ASN 138.A N LEU 87.A O no hydrogen 2.867 N/A ASN 138.A ND2 ASP 88.A OD1 no hydrogen 2.744 N/A GLY 140.A N GLY 182.A O no hydrogen 2.830 N/A GLY 141.A N ASN 138.A O no hydrogen 2.953 N/A SER 142.A N ASP 88.A O no hydrogen 2.871 N/A SER 142.A OG LEU 244.A O no hydrogen 2.405 N/A ILE 143.A N ARG 184.A O no hydrogen 2.774 N/A VAL 144.A N VAL 90.A O no hydrogen 2.751 N/A GLY 145.A N ASN 186.A O no hydrogen 2.958 N/A ASP 147.A N VAL 188.A O no hydrogen 2.676 N/A SER 151.A N ASP 149.A OD1 no hydrogen 3.007 N/A SER 151.A OG ASP 149.A OD1 no hydrogen 2.562 N/A TYR 157.A N PRO 155.A O no hydrogen 2.759 N/A ASN 158.A ND2 GLY 103.A O no hydrogen 3.171 N/A TRP 159.A N GLY 101.A O no hydrogen 2.978 N/A TRP 159.A NE1 PHE 107.A O no hydrogen 2.747 N/A THR 161.A N TYR 157.A O no hydrogen 3.297 N/A VAL 162.A N ASN 158.A O no hydrogen 3.387 N/A ALA 163.A N TRP 159.A O no hydrogen 2.811 N/A LYS 164.A N MET 160.A O no hydrogen 2.838 N/A LYS 164.A NZ MET 146.A O no hydrogen 2.737 N/A SER 165.A N THR 161.A O no hydrogen 2.896 N/A SER 165.A OG THR 161.A O no hydrogen 3.279 N/A ALA 166.A N VAL 162.A O no hydrogen 2.928 N/A LEU 167.A N ALA 163.A O no hydrogen 2.957 N/A GLU 168.A N LYS 164.A O no hydrogen 2.914 N/A SER 169.A N SER 165.A O no hydrogen 3.302 N/A VAL 170.A N ALA 166.A O no hydrogen 2.786 N/A ASN 171.A N LEU 167.A O no hydrogen 2.807 N/A ASN 171.A ND2 ASP 255.A O no hydrogen 3.065 N/A ARG 172.A N GLU 168.A O no hydrogen 3.310 N/A PHE 173.A N SER 169.A O no hydrogen 3.408 N/A VAL 174.A N VAL 170.A O no hydrogen 2.759 N/A ALA 175.A N ASN 171.A O no hydrogen 2.938 N/A ARG 176.A N PHE 173.A O no hydrogen 2.907 N/A GLU 177.A N PHE 173.A O no hydrogen 3.167 N/A ALA 178.A N VAL 174.A O no hydrogen 2.625 N/A GLY 179.A N ALA 175.A O no hydrogen 3.002 N/A LYS 180.A N GLU 177.A O no hydrogen 3.295 N/A LYS 180.A NZ GLU 177.A OE1 no hydrogen 2.837 N/A TYR 181.A N ALA 178.A O no hydrogen 2.780 N/A GLY 182.A N GLY 179.A O no hydrogen 2.974 N/A VAL 183.A N ALA 178.A O no hydrogen 2.947 N/A ARG 184.A N GLY 141.A O no hydrogen 2.971 N/A ARG 184.A NH1 SER 246.A O no hydrogen 2.851 N/A ARG 184.A NH2 LEU 244.A O no hydrogen 3.088 N/A SER 185.A N THR 253.A OG1 no hydrogen 2.920 N/A SER 185.A OG TYR 126.A OH no hydrogen 2.736 N/A SER 185.A OG ASN 171.A OD1 no hydrogen 2.674 N/A ASN 186.A N ILE 143.A O no hydrogen 2.951 N/A LEU 187.A N ASP 255.A O no hydrogen 2.847 N/A VAL 188.A N GLY 145.A O no hydrogen 2.818 N/A ALA 189.A N ILE 257.A O no hydrogen 2.712 N/A ALA 190.A N ASP 147.A O no hydrogen 3.059 N/A GLY 191.A N ALA 259.A O no hydrogen 2.991 N/A ARG 194.A N MET 231.A O no hydrogen 2.712 N/A ARG 194.A NE GLU 218.A OE1 no hydrogen 2.786 N/A ARG 194.A NH1 GLU 218.A OE2 no hydrogen 3.073 N/A THR 195.A N ILE 193.A O no hydrogen 2.773 N/A THR 195.A OG1 SER 18.A O no hydrogen 3.520 N/A SER 199.A N THR 195.A O no hydrogen 2.815 N/A SER 199.A OG THR 195.A O no hydrogen 3.263 N/A ALA 200.A N LEU 196.A O no hydrogen 2.854 N/A ILE 201.A N ALA 197.A O no hydrogen 2.826 N/A VAL 202.A N MET 198.A O no hydrogen 2.948 N/A GLY 203.A N SER 199.A O no hydrogen 2.872 N/A GLY 204.A N ILE 201.A O no hydrogen 2.894 N/A ALA 205.A N ALA 200.A O no hydrogen 2.892 N/A GLY 207.A N GLY 204.A O no hydrogen 2.881 N/A GLY 211.A N GLY 207.A O no hydrogen 3.096 N/A ALA 212.A N GLU 208.A O no hydrogen 2.799 N/A GLN 213.A N GLU 209.A O no hydrogen 2.858 N/A ILE 214.A N ALA 210.A O no hydrogen 2.937 N/A GLN 215.A N GLY 211.A O no hydrogen 2.951 N/A LEU 216.A N ALA 212.A O no hydrogen 2.962 N/A LEU 217.A N GLN 213.A O no hydrogen 2.755 N/A GLU 218.A N ILE 214.A O no hydrogen 2.905 N/A GLU 219.A N GLN 215.A O no hydrogen 2.989 N/A GLY 220.A N LEU 216.A O no hydrogen 2.838 N/A TRP 221.A N LEU 217.A O no hydrogen 2.884 N/A TRP 221.A NE1 ASP 260.A O no hydrogen 2.788 N/A ASP 222.A N GLU 218.A O no hydrogen 3.228 N/A GLN 223.A N GLU 219.A O no hydrogen 3.014 N/A ARG 224.A N GLY 220.A O no hydrogen 2.949 N/A ARG 224.A NE ALA 263.A O no hydrogen 3.177 N/A ALA 225.A N TRP 221.A O no hydrogen 2.792 N/A ILE 227.A N GLY 261.A O no hydrogen 3.529 N/A GLY 228.A N ALA 225.A O no hydrogen 2.854 N/A TRP 229.A N ASP 222.A OD2 no hydrogen 2.895 N/A TRP 229.A NE1 PRO 192.A O no hydrogen 2.709 N/A LYS 232.A N ASN 230.A OD1 no hydrogen 3.017 N/A ASP 233.A N ASN 230.A O no hydrogen 3.004 N/A THR 235.A N ASP 233.A OD1 no hydrogen 3.054 N/A THR 235.A OG1 ASP 233.A OD1 no hydrogen 3.173 N/A ALA 238.A N ALA 234.A O no hydrogen 2.969 N/A LYS 239.A N THR 235.A O no hydrogen 2.925 N/A THR 240.A N PRO 236.A O no hydrogen 3.290 N/A THR 240.A OG1 PRO 236.A O no hydrogen 2.711 N/A VAL 241.A N VAL 237.A O no hydrogen 2.974 N/A CYS 242.A N ALA 238.A O no hydrogen 2.943 N/A CYS 242.A SG ALA 238.A O no hydrogen 3.303 N/A ALA 243.A N LYS 239.A O no hydrogen 2.669 N/A LEU 244.A N THR 240.A O no hydrogen 3.115 N/A LEU 245.A N VAL 241.A O no hydrogen 2.847 N/A SER 246.A N ALA 243.A O no hydrogen 3.292 N/A SER 246.A OG ALA 243.A O no hydrogen 2.797 N/A TRP 248.A N SER 246.A OG no hydrogen 3.073 N/A THR 252.A N LEU 249.A O no hydrogen 3.466 N/A THR 253.A OG1 SER 185.A O no hydrogen 3.274 N/A GLY 254.A N SER 185.A O no hydrogen 2.589 N/A ILE 256.A N ASP 255.A OD1 no hydrogen 2.721 N/A ILE 257.A N LEU 187.A O no hydrogen 2.802 N/A ALA 259.A N ALA 189.A O no hydrogen 2.754 N/A GLY 262.A N ASP 260.A OD1 no hydrogen 2.943 N/A ALA 263.A N ASP 260.A O no hydrogen 3.331 N/A HIS 264.A N ASP 260.A OD2 no hydrogen 2.868 N/A HIS 264.A ND1 ASP 260.A OD2 no hydrogen 3.050 N/A THR 265.A N GLY 262.A O no hydrogen 2.897 N/A THR 265.A OG1 GLY 262.A O no hydrogen 2.654 N/A GLN 266.A N ALA 263.A O no hydrogen 3.263 N/A GLN 266.A NE2 THR 265.A OG1 no hydrogen 2.995 N/A