Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 1.A O no hydrogen 2.401 N/A ILE 5.A N PHE 1.A O no hydrogen 3.113 N/A LEU 6.A N LEU 2.A O no hydrogen 3.089 N/A GLU 7.A N ILE 3.A O no hydrogen 2.738 N/A ALA 8.A N SER 4.A O no hydrogen 3.095 N/A ILE 9.A N ILE 5.A O no hydrogen 2.877 N/A ALA 16.A N ASP 96.A OD1 no hydrogen 2.841 N/A GLY 17.A N ASP 96.A OD2 no hydrogen 2.718 N/A TYR 18.A N ASP 96.A OD2 no hydrogen 3.197 N/A TYR 18.A OH ASN 20.A OD1 no hydrogen 3.413 N/A TYR 18.A OH ASP 24.A OD1 no hydrogen 2.468 N/A ASP 19.A N TYR 28.A OH no hydrogen 2.879 N/A SER 21.A N ASP 19.A OD1 no hydrogen 2.911 N/A SER 21.A OG ASP 19.A OD1 no hydrogen 2.585 N/A SER 21.A OG ASP 19.A OD2 no hydrogen 3.038 N/A GLN 22.A N ASP 19.A O no hydrogen 3.002 N/A GLN 22.A NE2 ASP 19.A OD2 no hydrogen 3.419 N/A THR 25.A N PRO 23.A O no hydrogen 3.001 N/A THR 26.A OG1 GLN 106.A O no hydrogen 2.628 N/A ASN 27.A ND2 LEU 213.A O no hydrogen 2.792 N/A TYR 28.A N THR 25.A OG1 no hydrogen 2.927 N/A TYR 28.A OH ASP 19.A O no hydrogen 3.296 N/A LEU 29.A N THR 25.A O no hydrogen 2.934 N/A LEU 30.A N THR 26.A O no hydrogen 2.936 N/A SER 31.A N ASN 27.A O no hydrogen 3.005 N/A SER 31.A OG ASN 27.A O no hydrogen 2.859 N/A SER 32.A N TYR 28.A O no hydrogen 2.864 N/A SER 32.A OG TYR 28.A O no hydrogen 2.835 N/A LEU 33.A N LEU 29.A O no hydrogen 3.013 N/A ASN 34.A N LEU 30.A O no hydrogen 2.890 N/A ASN 34.A ND2 GLU 216.A O no hydrogen 2.872 N/A ARG 35.A N SER 31.A O no hydrogen 3.017 N/A LEU 36.A N SER 32.A O no hydrogen 2.976 N/A ALA 37.A N LEU 33.A O no hydrogen 2.793 N/A GLY 38.A N ASN 34.A O no hydrogen 3.007 N/A LYS 39.A N ARG 35.A O no hydrogen 3.100 N/A LYS 39.A NZ TYR 15.A O no hydrogen 3.126 N/A GLN 40.A N LEU 36.A O no hydrogen 2.712 N/A MET 41.A N ALA 37.A O no hydrogen 2.757 N/A VAL 42.A N GLY 38.A O no hydrogen 3.371 N/A VAL 44.A N GLN 40.A O no hydrogen 2.866 N/A VAL 45.A N MET 41.A O no hydrogen 2.988 N/A LYS 46.A N VAL 42.A O no hydrogen 3.065 N/A TRP 47.A N SER 43.A O no hydrogen 2.995 N/A ALA 48.A N VAL 44.A O no hydrogen 2.783 N/A LYS 49.A N VAL 45.A O no hydrogen 3.102 N/A ALA 50.A N TRP 47.A O no hydrogen 3.142 N/A LEU 51.A N ALA 48.A O no hydrogen 2.917 N/A PHE 54.A N LEU 51.A O no hydrogen 2.840 N/A ASN 56.A N GLY 53.A O no hydrogen 3.281 N/A LEU 57.A N PHE 54.A O no hydrogen 3.148 N/A HIS 58.A N SER 152.A OG no hydrogen 2.814 N/A ASP 60.A N HIS 58.A ND1 no hydrogen 3.343 N/A GLN 62.A N HIS 58.A O no hydrogen 3.034 N/A GLN 62.A NE2 LEU 57.A O no hydrogen 2.795 N/A MET 63.A N LEU 59.A O no hydrogen 2.919 N/A THR 64.A N ASP 60.A O no hydrogen 2.921 N/A THR 64.A OG1 ASP 60.A O no hydrogen 3.019 N/A LEU 65.A N ASP 61.A O no hydrogen 2.657 N/A ILE 66.A N GLN 62.A O no hydrogen 3.246 N/A GLN 67.A N MET 63.A O no hydrogen 2.934 N/A GLN 67.A NE2 ASP 227.A OD1 no hydrogen 2.961 N/A TYR 68.A N THR 64.A O no hydrogen 2.909 N/A SER 69.A N LEU 65.A O no hydrogen 2.935 N/A SER 69.A OG LEU 65.A O no hydrogen 2.998 N/A TRP 70.A N ILE 66.A O no hydrogen 2.999 N/A TRP 70.A NE1 GLN 228.A OE1 no hydrogen 3.025 N/A LEU 73.A N SER 69.A O no hydrogen 2.961 N/A MET 74.A N TRP 70.A O no hydrogen 3.078 N/A ALA 75.A N MET 71.A O no hydrogen 3.012 N/A PHE 76.A N SER 72.A O no hydrogen 2.963 N/A SER 77.A N LEU 73.A O no hydrogen 2.970 N/A SER 77.A OG LEU 73.A O no hydrogen 3.002 N/A LEU 78.A N MET 74.A O no hydrogen 2.897 N/A GLY 79.A N ALA 75.A O no hydrogen 2.924 N/A TRP 80.A N PHE 76.A O no hydrogen 3.082 N/A ARG 81.A N SER 77.A O no hydrogen 2.892 N/A ARG 81.A NE TYR 92.A O no hydrogen 3.035 N/A ARG 81.A NH2 PHE 93.A O no hydrogen 3.009 N/A SER 82.A N LEU 78.A O no hydrogen 2.996 N/A SER 82.A OG LEU 78.A O no hydrogen 2.830 N/A SER 82.A OG MET 90.A O no hydrogen 3.153 N/A TYR 83.A N GLY 79.A O no hydrogen 3.062 N/A TYR 83.A N TRP 80.A O no hydrogen 2.856 N/A LYS 84.A N TRP 80.A O no hydrogen 2.951 N/A HIS 85.A N ARG 81.A O no hydrogen 2.979 N/A THR 86.A N SER 82.A O no hydrogen 3.058 N/A THR 86.A OG1 SER 82.A O no hydrogen 2.763 N/A THR 86.A OG1 MET 90.A O no hydrogen 3.118 N/A GLY 88.A N SER 82.A O no hydrogen 2.802 N/A GLN 89.A N THR 86.A O no hydrogen 3.034 N/A GLN 89.A N THR 86.A OG1 no hydrogen 3.068 N/A MET 90.A N THR 86.A OG1 no hydrogen 3.020 N/A LEU 91.A N PHE 99.A O no hydrogen 3.240 N/A TYR 92.A N SER 82.A OG no hydrogen 2.831 N/A PHE 93.A N LEU 91.A O no hydrogen 2.951 N/A ALA 94.A N LEU 97.A O no hydrogen 3.292 N/A LEU 97.A N ALA 94.A O no hydrogen 2.918 N/A PHE 99.A N LEU 91.A O no hydrogen 2.902 N/A GLU 102.A N GLU 102.A OE1 no hydrogen 2.703 N/A ARG 103.A N ASN 100.A OD1 no hydrogen 2.955 N/A ARG 103.A NE ASP 24.A OD2 no hydrogen 2.980 N/A ARG 103.A NH1 ILE 98.A O no hydrogen 2.843 N/A MET 104.A N ASN 100.A O no hydrogen 3.162 N/A GLN 105.A N GLU 101.A O no hydrogen 3.157 N/A GLN 106.A N GLU 102.A O no hydrogen 3.047 N/A SER 107.A OG MET 104.A O no hydrogen 2.626 N/A ALA 108.A N GLN 105.A O no hydrogen 3.272 N/A MET 109.A N SER 107.A OG no hydrogen 3.041 N/A TYR 110.A OH GLU 101.A OE1 no hydrogen 2.411 N/A CYS 113.A N MET 109.A O no hydrogen 2.983 N/A CYS 113.A SG MET 109.A O no hydrogen 3.438 N/A GLN 114.A N TYR 110.A O no hydrogen 2.891 N/A GLY 115.A N ASP 111.A O no hydrogen 2.889 N/A MET 116.A N LEU 112.A O no hydrogen 2.931 N/A ARG 117.A N CYS 113.A O no hydrogen 2.776 N/A ARG 117.A NE GLN 114.A OE1 no hydrogen 3.221 N/A ARG 117.A NH1 GLY 88.A O no hydrogen 2.788 N/A GLN 118.A N GLN 114.A O no hydrogen 2.788 N/A ILE 119.A N MET 116.A O no hydrogen 3.082 N/A SER 120.A N MET 116.A O no hydrogen 3.381 N/A SER 120.A OG GLY 79.A O no hydrogen 2.860 N/A GLN 121.A N ARG 117.A O no hydrogen 2.845 N/A GLU 122.A N GLN 118.A O no hydrogen 3.030 N/A PHE 123.A N ILE 119.A O no hydrogen 3.167 N/A VAL 124.A N SER 120.A O no hydrogen 3.171 N/A ARG 125.A N GLN 121.A O no hydrogen 2.796 N/A ARG 125.A NE GLU 122.A OE1 no hydrogen 3.017 N/A ARG 125.A NH2 GLU 122.A OE2 no hydrogen 2.882 N/A LEU 126.A N GLU 122.A O no hydrogen 2.837 N/A GLN 127.A N VAL 124.A O no hydrogen 3.056 N/A GLN 127.A NE2 VAL 124.A O no hydrogen 3.003 N/A VAL 128.A N PHE 123.A O no hydrogen 3.155 N/A THR 129.A N GLU 132.A OE1 no hydrogen 2.813 N/A GLU 132.A N THR 129.A OG1 no hydrogen 3.121 N/A PHE 133.A N THR 129.A O no hydrogen 2.945 N/A LEU 134.A N TYR 130.A O no hydrogen 3.004 N/A CYS 135.A N GLU 131.A O no hydrogen 3.109 N/A CYS 135.A SG GLU 131.A O no hydrogen 3.456 N/A MET 136.A N GLU 132.A O no hydrogen 2.920 N/A LYS 137.A N PHE 133.A O no hydrogen 2.936 N/A LYS 137.A NZ GLU 10.A OE1 no hydrogen 2.823 N/A VAL 138.A N LEU 134.A O no hydrogen 3.374 N/A LEU 139.A N CYS 135.A O no hydrogen 3.159 N/A LEU 140.A N MET 136.A O no hydrogen 3.031 N/A LEU 141.A N LYS 137.A O no hydrogen 3.376 N/A LEU 142.A N VAL 138.A O no hydrogen 3.272 N/A LEU 142.A N LEU 139.A O no hydrogen 2.864 N/A SER 143.A N LEU 140.A O no hydrogen 3.151 N/A SER 143.A OG LEU 139.A O no hydrogen 2.684 N/A VAL 145.A N LYS 238.A O no hydrogen 2.898 N/A LYS 147.A N MET 236.A O no hydrogen 2.740 N/A LYS 147.A NZ GLY 235.A O no hydrogen 2.892 N/A GLY 149.A N PRO 146.A O no hydrogen 2.923 N/A LEU 150.A N GLN 153.A OE1 no hydrogen 3.199 N/A LYS 151.A N ASP 61.A OD1 no hydrogen 2.930 N/A LYS 151.A NZ ASP 60.A OD2 no hydrogen 3.017 N/A SER 152.A N ASP 61.A OD2 no hydrogen 2.767 N/A SER 152.A OG ASP 61.A OD2 no hydrogen 3.469 N/A GLN 153.A NE2 ASP 157.A OD1 no hydrogen 3.444 N/A GLN 153.A NE2 ASP 157.A OD2 no hydrogen 2.645 N/A PHE 156.A N SER 152.A O no hydrogen 2.690 N/A ASP 157.A N GLN 153.A O no hydrogen 2.851 N/A GLU 158.A N ALA 154.A O no hydrogen 3.135 N/A MET 159.A N SER 155.A O no hydrogen 3.215 N/A ARG 160.A N PHE 156.A O no hydrogen 2.960 N/A ARG 160.A NE LEU 142.A O no hydrogen 2.828 N/A ARG 160.A NH2 SER 143.A OG no hydrogen 3.208 N/A MET 161.A N ASP 157.A O no hydrogen 3.167 N/A ASN 162.A N GLU 158.A O no hydrogen 2.978 N/A TYR 163.A N MET 159.A O no hydrogen 3.054 N/A TYR 163.A OH PRO 52.A O no hydrogen 2.609 N/A ILE 164.A N ARG 160.A O no hydrogen 2.958 N/A LYS 165.A N MET 161.A O no hydrogen 2.868 N/A GLU 166.A N ASN 162.A O no hydrogen 2.852 N/A LEU 167.A N TYR 163.A O no hydrogen 2.943 N/A ARG 168.A N ILE 164.A O no hydrogen 3.086 N/A ARG 169.A N LYS 165.A O no hydrogen 2.892 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 2.876 N/A ASN 174.A N ASN 173.A OD1 no hydrogen 3.180 N/A ASN 174.A N GLN 177.A OE1 no hydrogen 3.293 N/A SER 176.A N ASN 174.A OD1 no hydrogen 2.873 N/A GLN 177.A N ASN 174.A OD1 no hydrogen 3.308 N/A ASN 178.A N ASN 174.A O no hydrogen 2.938 N/A TRP 179.A N SER 175.A O no hydrogen 2.944 N/A GLN 180.A N SER 176.A O no hydrogen 2.906 N/A ARG 181.A N GLN 177.A O no hydrogen 3.074 N/A ARG 181.A NE GLU 132.A OE2 no hydrogen 2.925 N/A ARG 181.A NH1 LEU 126.A O no hydrogen 2.769 N/A ARG 181.A NH2 LEU 126.A O no hydrogen 3.156 N/A ARG 181.A NH2 GLN 127.A O no hydrogen 3.500 N/A ARG 181.A NH2 GLU 132.A OE1 no hydrogen 2.565 N/A ARG 181.A NH2 GLU 132.A OE2 no hydrogen 3.313 N/A PHE 182.A N ASN 178.A O no hydrogen 2.981 N/A TYR 183.A N TRP 179.A O no hydrogen 2.917 N/A GLN 184.A N GLN 180.A O no hydrogen 3.010 N/A LEU 185.A N ARG 181.A O no hydrogen 2.838 N/A THR 186.A N PHE 182.A O no hydrogen 2.851 N/A THR 186.A OG1 PHE 182.A O no hydrogen 2.765 N/A THR 186.A OG1 TYR 183.A O no hydrogen 3.034 N/A THR 186.A OG1 HIS 243.A NE2 no hydrogen 2.685 N/A LYS 187.A N TYR 183.A O no hydrogen 2.904 N/A LEU 188.A N GLN 184.A O no hydrogen 3.160 N/A LEU 189.A N LEU 185.A O no hydrogen 3.178 N/A ASP 190.A N THR 186.A O no hydrogen 2.975 N/A SER 191.A N LYS 187.A O no hydrogen 3.004 N/A SER 191.A OG LEU 188.A O no hydrogen 2.671 N/A MET 192.A N LEU 189.A O no hydrogen 3.210 N/A HIS 193.A N ASP 190.A O no hydrogen 3.208 N/A LEU 195.A N SER 191.A O no hydrogen 3.511 N/A VAL 196.A N MET 192.A O no hydrogen 2.711 N/A GLY 197.A N HIS 193.A O no hydrogen 2.911 N/A GLY 198.A N ASP 194.A O no hydrogen 3.217 N/A LEU 199.A N LEU 195.A O no hydrogen 2.884 N/A LEU 200.A N VAL 196.A O no hydrogen 2.702 N/A GLN 201.A N GLY 197.A O no hydrogen 2.986 N/A PHE 202.A N GLY 198.A O no hydrogen 3.312 N/A CYS 203.A N LEU 199.A O no hydrogen 2.982 N/A PHE 204.A N LEU 200.A O no hydrogen 2.806 N/A TYR 205.A N GLN 201.A O no hydrogen 2.975 N/A THR 206.A N PHE 202.A O no hydrogen 2.853 N/A THR 206.A OG1 PHE 202.A O no hydrogen 3.102 N/A THR 206.A OG1 CYS 203.A O no hydrogen 2.993 N/A PHE 207.A N CYS 203.A O no hydrogen 2.833 N/A VAL 208.A N PHE 204.A O no hydrogen 2.986 N/A GLN 209.A NE2 TYR 205.A OH no hydrogen 3.393 N/A SER 210.A N PHE 207.A O no hydrogen 3.265 N/A SER 210.A OG VAL 215.A O no hydrogen 2.623 N/A LEU 213.A N GLN 209.A O no hydrogen 2.679 N/A LEU 213.A N SER 210.A O no hydrogen 3.224 N/A SER 214.A N GLN 211.A O no hydrogen 3.304 N/A VAL 215.A N SER 210.A O no hydrogen 2.998 N/A GLU 216.A N SER 31.A OG no hydrogen 2.735 N/A LEU 221.A N PRO 218.A O no hydrogen 2.828 N/A VAL 222.A N PRO 218.A O no hydrogen 3.081 N/A GLU 223.A N GLU 219.A O no hydrogen 3.145 N/A ILE 224.A N MET 220.A O no hydrogen 3.289 N/A ILE 225.A N LEU 221.A O no hydrogen 2.843 N/A SER 226.A N VAL 222.A O no hydrogen 2.959 N/A ASP 227.A N GLU 223.A O no hydrogen 3.152 N/A ASP 227.A N ILE 224.A O no hydrogen 3.187 N/A GLN 228.A N ILE 224.A O no hydrogen 2.773 N/A LEU 229.A N ILE 225.A O no hydrogen 2.743 N/A LYS 231.A NZ ASP 227.A OD1 no hydrogen 3.389 N/A VAL 232.A N GLN 228.A O no hydrogen 3.021 N/A MET 233.A N LEU 229.A O no hydrogen 2.950 N/A ALA 234.A N PRO 230.A O no hydrogen 3.019 N/A GLY 235.A N VAL 232.A O no hydrogen 3.085 N/A MET 236.A N LYS 231.A O no hydrogen 3.016 N/A LYS 238.A N VAL 145.A O no hydrogen 2.738 N/A LEU 240.A N SER 143.A O no hydrogen 2.788 N/A PHE 242.A N ASP 190.A OD1 no hydrogen 2.958 N/A PHE 242.A N ASP 190.A OD2 no hydrogen 3.041 N/A HIS 243.A N ASP 190.A OD2 no hydrogen 2.827 N/A HIS 243.A NE2 TYR 183.A O no hydrogen 2.904 N/A HIS 243.A NE2 THR 186.A OG1 no hydrogen 2.685 N/A