Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q1h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 1.A O no hydrogen 2.424 N/A ILE 5.A N PHE 1.A O no hydrogen 2.858 N/A LEU 6.A N LEU 2.A O no hydrogen 2.950 N/A GLU 7.A N ILE 3.A O no hydrogen 2.970 N/A ALA 8.A N SER 4.A O no hydrogen 3.165 N/A ILE 9.A N ILE 5.A O no hydrogen 2.971 N/A VAL 13.A N GLU 12.A OE1 no hydrogen 2.991 N/A ALA 16.A N ASP 96.A OD1 no hydrogen 2.845 N/A GLY 17.A N ASP 96.A OD2 no hydrogen 2.685 N/A TYR 18.A N ASP 96.A OD2 no hydrogen 3.196 N/A TYR 18.A OH ASN 20.A OD1 no hydrogen 3.370 N/A TYR 18.A OH ASP 24.A OD1 no hydrogen 2.388 N/A ASP 19.A N TYR 28.A OH no hydrogen 3.033 N/A SER 21.A N ASP 19.A OD1 no hydrogen 2.792 N/A SER 21.A OG ASP 19.A OD1 no hydrogen 2.577 N/A SER 21.A OG ASP 19.A OD2 no hydrogen 3.018 N/A GLN 22.A N ASP 19.A O no hydrogen 3.129 N/A GLN 22.A NE2 ASP 19.A OD2 no hydrogen 3.425 N/A GLN 22.A NE2 SER 21.A OG no hydrogen 3.295 N/A THR 25.A N PRO 23.A O no hydrogen 3.011 N/A THR 26.A OG1 GLN 106.A O no hydrogen 2.566 N/A ASN 27.A ND2 LEU 213.A O no hydrogen 2.767 N/A ASN 27.A ND2 SER 214.A O no hydrogen 3.489 N/A TYR 28.A N THR 25.A OG1 no hydrogen 3.018 N/A LEU 29.A N THR 25.A O no hydrogen 2.929 N/A LEU 30.A N THR 26.A O no hydrogen 2.900 N/A SER 31.A N ASN 27.A O no hydrogen 2.997 N/A SER 31.A OG ASN 27.A O no hydrogen 2.692 N/A SER 32.A N TYR 28.A O no hydrogen 2.852 N/A SER 32.A OG TYR 28.A O no hydrogen 2.781 N/A LEU 33.A N LEU 29.A O no hydrogen 2.966 N/A ASN 34.A N LEU 30.A O no hydrogen 2.889 N/A ASN 34.A ND2 GLU 216.A O no hydrogen 3.045 N/A ARG 35.A N SER 31.A O no hydrogen 2.904 N/A ARG 35.A NH1 GLU 216.A OE1 no hydrogen 3.330 N/A LEU 36.A N SER 32.A O no hydrogen 2.952 N/A ALA 37.A N LEU 33.A O no hydrogen 2.837 N/A GLY 38.A N ASN 34.A O no hydrogen 3.023 N/A LYS 39.A N ARG 35.A O no hydrogen 3.199 N/A LYS 39.A NZ TYR 15.A O no hydrogen 2.695 N/A GLN 40.A N LEU 36.A O no hydrogen 2.835 N/A MET 41.A N ALA 37.A O no hydrogen 2.780 N/A VAL 42.A N GLY 38.A O no hydrogen 3.382 N/A SER 43.A N LYS 39.A O no hydrogen 3.497 N/A VAL 44.A N GLN 40.A O no hydrogen 2.847 N/A VAL 45.A N MET 41.A O no hydrogen 2.955 N/A LYS 46.A N VAL 42.A O no hydrogen 3.161 N/A TRP 47.A N SER 43.A O no hydrogen 2.890 N/A ALA 48.A N VAL 44.A O no hydrogen 2.841 N/A LYS 49.A N VAL 45.A O no hydrogen 3.098 N/A ALA 50.A N LYS 46.A O no hydrogen 3.247 N/A ALA 50.A N TRP 47.A O no hydrogen 3.084 N/A LEU 51.A N ALA 48.A O no hydrogen 2.932 N/A PHE 54.A N LEU 51.A O no hydrogen 2.963 N/A ARG 55.A NE LYS 49.A O no hydrogen 3.390 N/A ASN 56.A N GLY 53.A O no hydrogen 3.021 N/A LEU 57.A N PHE 54.A O no hydrogen 2.994 N/A HIS 58.A N SER 152.A OG no hydrogen 2.951 N/A ASP 60.A N HIS 58.A ND1 no hydrogen 3.136 N/A GLN 62.A N HIS 58.A O no hydrogen 3.029 N/A GLN 62.A NE2 LEU 57.A O no hydrogen 2.787 N/A MET 63.A N LEU 59.A O no hydrogen 3.155 N/A THR 64.A N ASP 60.A O no hydrogen 2.876 N/A THR 64.A OG1 ASP 60.A O no hydrogen 2.687 N/A LEU 65.A N ASP 61.A O no hydrogen 2.900 N/A ILE 66.A N GLN 62.A O no hydrogen 3.138 N/A GLN 67.A N MET 63.A O no hydrogen 2.869 N/A TYR 68.A N THR 64.A O no hydrogen 2.937 N/A SER 69.A N LEU 65.A O no hydrogen 2.994 N/A SER 69.A N ILE 66.A O no hydrogen 3.300 N/A SER 69.A OG LEU 65.A O no hydrogen 2.758 N/A TRP 70.A N ILE 66.A O no hydrogen 2.937 N/A TRP 70.A NE1 GLN 228.A OE1 no hydrogen 2.799 N/A LEU 73.A N SER 69.A O no hydrogen 2.934 N/A MET 74.A N TRP 70.A O no hydrogen 2.970 N/A ALA 75.A N MET 71.A O no hydrogen 2.919 N/A PHE 76.A N SER 72.A O no hydrogen 2.854 N/A SER 77.A N LEU 73.A O no hydrogen 2.987 N/A SER 77.A OG LEU 73.A O no hydrogen 3.282 N/A LEU 78.A N MET 74.A O no hydrogen 2.941 N/A GLY 79.A N ALA 75.A O no hydrogen 2.963 N/A TRP 80.A N PHE 76.A O no hydrogen 3.034 N/A ARG 81.A N SER 77.A O no hydrogen 2.927 N/A ARG 81.A NE TYR 92.A O no hydrogen 2.985 N/A ARG 81.A NH2 PHE 93.A O no hydrogen 2.921 N/A SER 82.A N LEU 78.A O no hydrogen 2.918 N/A SER 82.A OG LEU 78.A O no hydrogen 2.843 N/A SER 82.A OG MET 90.A O no hydrogen 3.263 N/A TYR 83.A N GLY 79.A O no hydrogen 3.035 N/A LYS 84.A N TRP 80.A O no hydrogen 2.882 N/A HIS 85.A N ARG 81.A O no hydrogen 2.904 N/A THR 86.A N SER 82.A O no hydrogen 2.930 N/A THR 86.A OG1 SER 82.A O no hydrogen 2.706 N/A THR 86.A OG1 MET 90.A O no hydrogen 3.048 N/A GLY 88.A N SER 82.A O no hydrogen 2.848 N/A GLN 89.A N THR 86.A O no hydrogen 2.987 N/A GLN 89.A N THR 86.A OG1 no hydrogen 3.219 N/A GLN 89.A NE2 ASN 87.A O no hydrogen 3.385 N/A MET 90.A N THR 86.A OG1 no hydrogen 3.062 N/A LEU 91.A N PHE 99.A O no hydrogen 3.185 N/A TYR 92.A N SER 82.A OG no hydrogen 2.883 N/A ALA 94.A N LEU 97.A O no hydrogen 3.171 N/A LEU 97.A N ALA 94.A O no hydrogen 3.008 N/A PHE 99.A N LEU 91.A O no hydrogen 2.871 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.640 N/A ARG 103.A N ASN 100.A OD1 no hydrogen 2.978 N/A ARG 103.A NE ASP 24.A OD2 no hydrogen 2.901 N/A ARG 103.A NH1 ILE 98.A O no hydrogen 2.927 N/A ARG 103.A NH2 ASP 24.A OD2 no hydrogen 3.520 N/A MET 104.A N ASN 100.A O no hydrogen 3.006 N/A GLN 105.A N GLU 101.A O no hydrogen 2.942 N/A GLN 106.A N GLU 102.A O no hydrogen 2.980 N/A SER 107.A OG MET 104.A O no hydrogen 2.732 N/A ALA 108.A N GLN 105.A O no hydrogen 3.344 N/A MET 109.A N SER 107.A OG no hydrogen 3.090 N/A TYR 110.A OH GLU 101.A OE1 no hydrogen 2.625 N/A CYS 113.A N MET 109.A O no hydrogen 2.969 N/A CYS 113.A SG MET 109.A O no hydrogen 3.461 N/A GLN 114.A N TYR 110.A O no hydrogen 2.857 N/A GLY 115.A N ASP 111.A O no hydrogen 2.918 N/A MET 116.A N LEU 112.A O no hydrogen 2.987 N/A ARG 117.A N CYS 113.A O no hydrogen 2.899 N/A ARG 117.A NE GLN 114.A OE1 no hydrogen 3.134 N/A ARG 117.A NH1 GLY 88.A O no hydrogen 2.663 N/A GLN 118.A N GLN 114.A O no hydrogen 2.863 N/A ILE 119.A N MET 116.A O no hydrogen 3.050 N/A SER 120.A OG GLY 79.A O no hydrogen 2.626 N/A GLN 121.A N ARG 117.A O no hydrogen 2.948 N/A GLU 122.A N GLN 118.A O no hydrogen 3.011 N/A PHE 123.A N ILE 119.A O no hydrogen 3.029 N/A VAL 124.A N SER 120.A O no hydrogen 2.936 N/A ARG 125.A N GLN 121.A O no hydrogen 2.890 N/A ARG 125.A NE GLU 122.A OE2 no hydrogen 2.892 N/A ARG 125.A NH2 GLU 122.A OE1 no hydrogen 2.959 N/A LEU 126.A N GLU 122.A O no hydrogen 2.926 N/A GLN 127.A N VAL 124.A O no hydrogen 3.170 N/A GLN 127.A NE2 VAL 124.A O no hydrogen 2.754 N/A VAL 128.A N PHE 123.A O no hydrogen 3.131 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.907 N/A GLU 132.A N THR 129.A OG1 no hydrogen 2.996 N/A PHE 133.A N THR 129.A O no hydrogen 2.915 N/A LEU 134.A N TYR 130.A O no hydrogen 2.958 N/A CYS 135.A N GLU 131.A O no hydrogen 3.153 N/A CYS 135.A SG GLU 131.A O no hydrogen 3.462 N/A MET 136.A N GLU 132.A O no hydrogen 2.874 N/A LYS 137.A N PHE 133.A O no hydrogen 2.923 N/A LYS 137.A NZ GLU 10.A OE1 no hydrogen 2.799 N/A VAL 138.A N LEU 134.A O no hydrogen 3.359 N/A LEU 139.A N CYS 135.A O no hydrogen 3.184 N/A LEU 140.A N MET 136.A O no hydrogen 3.135 N/A LEU 140.A N LYS 137.A O no hydrogen 3.085 N/A LEU 141.A N LYS 137.A O no hydrogen 3.406 N/A LEU 142.A N VAL 138.A O no hydrogen 3.289 N/A LEU 142.A N LEU 139.A O no hydrogen 3.057 N/A SER 143.A N LEU 140.A O no hydrogen 3.195 N/A SER 143.A OG LEU 139.A O no hydrogen 2.578 N/A VAL 145.A N LYS 238.A O no hydrogen 2.996 N/A LYS 147.A N MET 236.A O no hydrogen 2.730 N/A LYS 147.A NZ GLY 235.A O no hydrogen 3.185 N/A GLY 149.A N PRO 146.A O no hydrogen 2.966 N/A LEU 150.A N GLN 153.A OE1 no hydrogen 3.264 N/A LYS 151.A N ASP 61.A OD1 no hydrogen 2.905 N/A LYS 151.A NZ ASP 60.A OD2 no hydrogen 3.121 N/A SER 152.A N ASP 61.A OD2 no hydrogen 2.725 N/A SER 152.A OG ASP 61.A OD2 no hydrogen 3.513 N/A GLN 153.A NE2 GLN 153.A O no hydrogen 3.666 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 2.881 N/A GLN 153.A NE2 ASP 157.A OD2 no hydrogen 3.564 N/A PHE 156.A N SER 152.A O no hydrogen 2.817 N/A ASP 157.A N GLN 153.A O no hydrogen 2.793 N/A GLU 158.A N ALA 154.A O no hydrogen 3.153 N/A MET 159.A N SER 155.A O no hydrogen 2.889 N/A ARG 160.A N PHE 156.A O no hydrogen 2.839 N/A ARG 160.A NE LEU 142.A O no hydrogen 2.837 N/A ARG 160.A NH2 SER 143.A OG no hydrogen 3.140 N/A MET 161.A N ASP 157.A O no hydrogen 2.982 N/A ASN 162.A N GLU 158.A O no hydrogen 3.022 N/A TYR 163.A N MET 159.A O no hydrogen 3.150 N/A TYR 163.A OH PRO 52.A O no hydrogen 2.829 N/A ILE 164.A N ARG 160.A O no hydrogen 2.973 N/A LYS 165.A N MET 161.A O no hydrogen 2.913 N/A GLU 166.A N ASN 162.A O no hydrogen 2.890 N/A LEU 167.A N TYR 163.A O no hydrogen 2.919 N/A ARG 168.A N ILE 164.A O no hydrogen 3.091 N/A ARG 169.A N LYS 165.A O no hydrogen 2.975 N/A ALA 170.A N GLU 166.A O no hydrogen 2.972 N/A ILE 171.A N LEU 167.A O no hydrogen 2.893 N/A ALA 172.A N ARG 168.A O no hydrogen 2.926 N/A ASN 174.A N GLN 177.A OE1 no hydrogen 2.945 N/A GLN 177.A N ASN 174.A OD1 no hydrogen 2.778 N/A ASN 178.A N ASN 174.A O no hydrogen 3.112 N/A TRP 179.A N SER 175.A O no hydrogen 2.822 N/A GLN 180.A N SER 176.A O no hydrogen 2.936 N/A ARG 181.A N GLN 177.A O no hydrogen 3.089 N/A ARG 181.A NE GLU 132.A OE1 no hydrogen 3.372 N/A ARG 181.A NE GLU 132.A OE2 no hydrogen 2.542 N/A ARG 181.A NH1 LEU 126.A O no hydrogen 3.073 N/A ARG 181.A NH2 LEU 126.A O no hydrogen 2.740 N/A ARG 181.A NH2 GLU 132.A OE1 no hydrogen 2.807 N/A PHE 182.A N ASN 178.A O no hydrogen 2.946 N/A TYR 183.A N TRP 179.A O no hydrogen 2.866 N/A GLN 184.A N GLN 180.A O no hydrogen 2.950 N/A LEU 185.A N ARG 181.A O no hydrogen 2.860 N/A THR 186.A N PHE 182.A O no hydrogen 3.004 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.722 N/A THR 186.A OG1 TYR 183.A O no hydrogen 3.105 N/A THR 186.A OG1 HIS 243.A NE2 no hydrogen 2.807 N/A LYS 187.A N TYR 183.A O no hydrogen 3.004 N/A LEU 188.A N GLN 184.A O no hydrogen 3.110 N/A LEU 189.A N LEU 185.A O no hydrogen 3.069 N/A ASP 190.A N THR 186.A O no hydrogen 2.957 N/A SER 191.A N LYS 187.A O no hydrogen 2.978 N/A SER 191.A OG LEU 188.A O no hydrogen 2.547 N/A MET 192.A N LEU 189.A O no hydrogen 3.078 N/A HIS 193.A N ASP 190.A O no hydrogen 3.245 N/A VAL 196.A N MET 192.A O no hydrogen 2.794 N/A GLY 197.A N HIS 193.A O no hydrogen 2.935 N/A GLY 198.A N ASP 194.A O no hydrogen 3.296 N/A LEU 199.A N LEU 195.A O no hydrogen 2.984 N/A LEU 200.A N VAL 196.A O no hydrogen 2.785 N/A GLN 201.A N GLY 197.A O no hydrogen 3.092 N/A PHE 202.A N GLY 198.A O no hydrogen 3.307 N/A CYS 203.A N LEU 199.A O no hydrogen 2.983 N/A PHE 204.A N LEU 200.A O no hydrogen 2.766 N/A TYR 205.A N GLN 201.A O no hydrogen 3.019 N/A THR 206.A N PHE 202.A O no hydrogen 2.988 N/A THR 206.A OG1 PHE 202.A O no hydrogen 2.918 N/A THR 206.A OG1 CYS 203.A O no hydrogen 3.204 N/A PHE 207.A N CYS 203.A O no hydrogen 2.892 N/A VAL 208.A N PHE 204.A O no hydrogen 2.834 N/A GLN 209.A N TYR 205.A O no hydrogen 3.277 N/A SER 210.A N PHE 207.A O no hydrogen 3.039 N/A SER 210.A OG VAL 215.A O no hydrogen 2.572 N/A LEU 213.A N GLN 209.A O no hydrogen 2.816 N/A SER 214.A N GLN 211.A O no hydrogen 3.098 N/A VAL 215.A N SER 210.A O no hydrogen 2.910 N/A GLU 216.A N SER 31.A OG no hydrogen 2.906 N/A LEU 221.A N PRO 218.A O no hydrogen 2.859 N/A VAL 222.A N PRO 218.A O no hydrogen 2.963 N/A GLU 223.A N GLU 219.A O no hydrogen 3.191 N/A ILE 225.A N LEU 221.A O no hydrogen 2.815 N/A SER 226.A N VAL 222.A O no hydrogen 2.835 N/A ASP 227.A N GLU 223.A O no hydrogen 3.329 N/A GLN 228.A N ILE 224.A O no hydrogen 2.812 N/A LEU 229.A N ILE 225.A O no hydrogen 2.813 N/A LYS 231.A NZ GLN 67.A OE1 no hydrogen 3.189 N/A VAL 232.A N GLN 228.A O no hydrogen 2.907 N/A MET 233.A N LEU 229.A O no hydrogen 2.796 N/A ALA 234.A N PRO 230.A O no hydrogen 2.897 N/A GLY 235.A N VAL 232.A O no hydrogen 2.951 N/A MET 236.A N LYS 231.A O no hydrogen 3.043 N/A LYS 238.A N VAL 145.A O no hydrogen 2.856 N/A LEU 240.A N SER 143.A O no hydrogen 2.860 N/A PHE 242.A N ASP 190.A OD1 no hydrogen 2.978 N/A PHE 242.A N ASP 190.A OD2 no hydrogen 3.137 N/A HIS 243.A N ASP 190.A OD2 no hydrogen 2.941 N/A HIS 243.A NE2 TYR 183.A O no hydrogen 3.085 N/A HIS 243.A NE2 THR 186.A OG1 no hydrogen 2.807 N/A