Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aly_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N ASP 3.A OD1 no hydrogen 3.218 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.907 N/A LEU 6.A N ASP 3.A O no hydrogen 2.962 N/A LEU 11.A N ALA 9.A O no hydrogen 2.766 N/A HIS 17.A NE2 PHE 251.A O no hydrogen 2.738 N/A ILE 19.A N HIS 17.A ND1 no hydrogen 2.939 N/A LEU 21.A N HIS 17.A O no hydrogen 3.036 N/A MET 22.A N PRO 18.A O no hydrogen 2.835 N/A GLU 23.A N ILE 19.A O no hydrogen 2.833 N/A ARG 24.A N THR 20.A O no hydrogen 2.950 N/A ARG 24.A NH2 LEU 266.A OXT no hydrogen 3.022 N/A GLU 25.A N LEU 21.A O no hydrogen 3.073 N/A LEU 26.A N MET 22.A O no hydrogen 2.996 N/A VAL 27.A N GLU 23.A O no hydrogen 2.880 N/A GLU 28.A N ARG 24.A O no hydrogen 2.873 N/A ILE 29.A N GLU 25.A O no hydrogen 2.948 N/A PHE 30.A N LEU 26.A O no hydrogen 2.987 N/A ARG 31.A N VAL 27.A O no hydrogen 2.828 N/A ARG 31.A NH1 GLU 28.A OE2 no hydrogen 3.448 N/A ALA 32.A N GLU 28.A O no hydrogen 3.234 N/A ALA 32.A N ILE 29.A O no hydrogen 3.275 N/A LEU 33.A N PHE 30.A O no hydrogen 3.031 N/A GLY 34.A N ARG 31.A O no hydrogen 2.993 N/A TYR 35.A N PHE 30.A O no hydrogen 2.963 N/A GLN 36.A N ARG 111.A O no hydrogen 2.844 N/A VAL 38.A N VAL 113.A O no hydrogen 3.126 N/A GLU 44.A N LEU 90.A O no hydrogen 2.842 N/A SER 45.A N GLU 44.A OE1 no hydrogen 2.902 N/A SER 45.A OG GLU 86.A O no hydrogen 2.883 N/A GLU 46.A N ARG 88.A O no hydrogen 3.000 N/A PHE 47.A N SER 45.A OG no hydrogen 3.395 N/A ASN 49.A N SER 45.A O no hydrogen 3.112 N/A ASN 49.A ND2 THR 93.A OG1 no hydrogen 3.122 N/A PHE 50.A N GLU 46.A O no hydrogen 2.898 N/A ASP 51.A N GLU 46.A O no hydrogen 3.275 N/A ALA 52.A N PHE 47.A O no hydrogen 2.691 N/A ASN 54.A N ASP 51.A O no hydrogen 2.978 N/A ASN 54.A ND2 PRO 175.A O no hydrogen 3.143 N/A ILE 55.A N PHE 50.A O no hydrogen 3.030 N/A ARG 62.A N HIS 59.A O no hydrogen 2.781 N/A ARG 62.A NE ILE 55.A O no hydrogen 2.978 N/A ARG 62.A NH1 GLU 46.A OE2 no hydrogen 2.981 N/A ARG 62.A NH2 GLU 46.A OE2 no hydrogen 2.853 N/A ARG 62.A NH2 ASP 51.A OD1 no hydrogen 3.268 N/A ARG 62.A NH2 ILE 55.A O no hydrogen 3.383 N/A ASP 63.A N HIS 59.A O no hydrogen 3.489 N/A MET 64.A N ALA 61.A O no hydrogen 3.106 N/A TRP 65.A N ARG 62.A O no hydrogen 3.017 N/A LEU 70.A N LEU 89.A O no hydrogen 3.239 N/A GLY 79.A N GLU 83.A O no hydrogen 2.543 N/A LEU 81.A N GLU 83.A OE1 no hydrogen 2.728 N/A GLY 82.A N GLY 79.A O no hydrogen 2.883 N/A GLU 83.A N GLU 83.A OE1 no hydrogen 2.543 N/A VAL 85.A N LEU 77.A O no hydrogen 3.160 N/A ARG 88.A NH1 GLU 57.A OE2 no hydrogen 2.805 N/A LEU 90.A N GLU 44.A O no hydrogen 2.915 N/A LEU 91.A N PHE 68.A O no hydrogen 3.169 N/A ARG 92.A N GLU 42.A O no hydrogen 2.981 N/A ARG 92.A NE ARG 117.A O no hydrogen 2.683 N/A ARG 92.A NH2 ARG 117.A O no hydrogen 3.064 N/A THR 93.A N ASN 49.A OD1 no hydrogen 3.137 N/A HIS 94.A NE2 ASN 49.A O no hydrogen 3.131 N/A SER 96.A OG HIS 94.A ND1 no hydrogen 3.360 N/A SER 96.A OG GLU 136.A OE2 no hydrogen 3.093 N/A MET 98.A N THR 95.A O no hydrogen 2.974 N/A GLN 99.A N SER 96.A O no hydrogen 2.772 N/A VAL 100.A N PRO 97.A O no hydrogen 2.763 N/A ARG 101.A N PRO 97.A O no hydrogen 3.003 N/A ARG 101.A NH1 GLU 44.A OE2 no hydrogen 2.737 N/A TYR 102.A N MET 98.A O no hydrogen 3.033 N/A VAL 104.A N VAL 100.A O no hydrogen 3.098 N/A VAL 104.A N ARG 101.A O no hydrogen 3.254 N/A ALA 105.A N ARG 101.A O no hydrogen 3.265 N/A HIS 106.A ND1 TYR 102.A O no hydrogen 2.985 N/A THR 107.A OG1 PRO 108.A O no hydrogen 3.298 N/A PHE 110.A N VAL 140.A O no hydrogen 3.142 N/A ARG 111.A NH1 GLY 34.A O no hydrogen 3.570 N/A ILE 112.A N LEU 138.A O no hydrogen 2.808 N/A VAL 113.A N GLN 36.A O no hydrogen 2.855 N/A VAL 114.A N GLU 136.A O no hydrogen 2.750 N/A GLY 116.A N GLN 134.A O no hydrogen 2.947 N/A VAL 118.A N PHE 132.A O no hydrogen 2.824 N/A PHE 119.A N ARG 92.A O no hydrogen 2.896 N/A ARG 120.A N ALA 130.A O no hydrogen 2.804 N/A ARG 120.A NE THR 93.A O no hydrogen 2.767 N/A ARG 120.A NH2 THR 93.A O no hydrogen 3.067 N/A PHE 121.A N ASP 66.A O no hydrogen 2.771 N/A THR 127.A N ASP 125.A OD1 no hydrogen 2.578 N/A THR 127.A OG1 ASP 125.A OD1 no hydrogen 3.141 N/A THR 127.A OG1 HIS 128.A ND1 no hydrogen 2.818 N/A HIS 128.A ND1 ASP 125.A OD1 no hydrogen 2.647 N/A ALA 130.A N GLU 129.A OE1 no hydrogen 2.781 N/A VAL 131.A N GLU 129.A OE1 no hydrogen 3.244 N/A PHE 132.A N VAL 118.A O no hydrogen 3.197 N/A HIS 133.A N GLU 236.A OE1 no hydrogen 2.749 N/A HIS 133.A ND1 GLU 236.A OE2 no hydrogen 2.584 N/A GLN 134.A N GLY 116.A O no hydrogen 2.980 N/A LEU 135.A N LEU 233.A O no hydrogen 3.004 N/A GLU 136.A N VAL 114.A O no hydrogen 2.981 N/A GLY 137.A N PHE 231.A O no hydrogen 2.907 N/A LEU 138.A N ILE 112.A O no hydrogen 2.997 N/A VAL 139.A N PHE 229.A O no hydrogen 3.004 N/A VAL 140.A N PHE 110.A O no hydrogen 3.209 N/A GLY 141.A N THR 227.A O no hydrogen 2.853 N/A ILE 144.A N GLY 141.A O no hydrogen 3.280 N/A ALA 145.A N HIS 148.A ND1 no hydrogen 2.838 N/A HIS 148.A N ALA 145.A O no hydrogen 2.868 N/A LEU 149.A N ALA 145.A O no hydrogen 3.340 N/A LYS 150.A N MET 146.A O no hydrogen 2.857 N/A GLY 151.A N ALA 147.A O no hydrogen 2.854 N/A ALA 152.A N HIS 148.A O no hydrogen 2.916 N/A ILE 153.A N LEU 149.A O no hydrogen 3.198 N/A TYR 154.A N LYS 150.A O no hydrogen 2.870 N/A GLU 155.A N GLY 151.A O no hydrogen 2.933 N/A LEU 156.A N ALA 152.A O no hydrogen 2.934 N/A ALA 157.A N ILE 153.A O no hydrogen 2.973 N/A GLN 158.A N TYR 154.A O no hydrogen 2.962 N/A GLN 158.A NE2 PRO 163.A O no hydrogen 3.476 N/A ALA 159.A N GLU 155.A O no hydrogen 2.844 N/A LEU 160.A N LEU 156.A O no hydrogen 2.763 N/A PHE 161.A N ALA 157.A O no hydrogen 2.717 N/A GLY 162.A N GLN 158.A O no hydrogen 2.763 N/A SER 165.A N GLY 162.A O no hydrogen 3.047 N/A SER 165.A OG TRP 186.A O no hydrogen 3.147 N/A ARG 168.A N ALA 184.A O no hydrogen 2.845 N/A ARG 168.A NH2 GLU 195.A OE2 no hydrogen 2.756 N/A GLN 170.A N GLN 182.A O no hydrogen 2.932 N/A VAL 172.A N GLY 180.A O no hydrogen 3.501 N/A VAL 177.A N PHE 174.A O no hydrogen 2.943 N/A GLU 178.A N MET 201.A O no hydrogen 2.891 N/A ALA 181.A N ALA 199.A O no hydrogen 2.706 N/A GLN 182.A N GLN 170.A O no hydrogen 2.862 N/A PHE 183.A N GLY 197.A O no hydrogen 2.939 N/A ALA 184.A N ARG 168.A O no hydrogen 2.846 N/A VAL 185.A N LEU 194.A O no hydrogen 3.019 N/A TRP 186.A N LYS 166.A O no hydrogen 2.616 N/A TRP 187.A N LYS 192.A O no hydrogen 3.435 N/A GLY 190.A N TRP 187.A O no hydrogen 3.095 N/A LEU 194.A N VAL 185.A O no hydrogen 3.107 N/A LEU 196.A N PHE 183.A O no hydrogen 3.015 N/A GLY 198.A N GLY 232.A O no hydrogen 3.049 N/A ALA 199.A N ALA 181.A O no hydrogen 2.746 N/A GLY 200.A N ALA 230.A O no hydrogen 3.047 N/A MET 201.A N PRO 179.A O no hydrogen 3.047 N/A VAL 202.A N GLY 228.A O no hydrogen 2.653 N/A HIS 203.A N PHE 176.A O no hydrogen 2.886 N/A LYS 205.A N HIS 203.A ND1 no hydrogen 2.960 N/A VAL 206.A N HIS 203.A O no hydrogen 2.872 N/A PHE 207.A N HIS 203.A O no hydrogen 3.268 N/A GLN 208.A N PRO 204.A O no hydrogen 3.031 N/A ALA 209.A N LYS 205.A O no hydrogen 2.771 N/A VAL 210.A N VAL 206.A O no hydrogen 2.968 N/A ASP 211.A N PHE 207.A O no hydrogen 3.148 N/A ALA 212.A N GLN 208.A O no hydrogen 2.923 N/A TYR 213.A N ALA 209.A O no hydrogen 2.932 N/A TYR 213.A OH GLU 83.A OE2 no hydrogen 2.684 N/A ARG 214.A N VAL 210.A O no hydrogen 2.835 N/A ARG 214.A NE MET 103.A O no hydrogen 3.419 N/A ARG 214.A NH1 PRO 220.A O no hydrogen 2.485 N/A ARG 214.A NH2 HIS 106.A O no hydrogen 2.809 N/A GLU 215.A N ASP 211.A O no hydrogen 2.806 N/A ARG 216.A N ALA 212.A O no hydrogen 3.167 N/A LEU 217.A N TYR 213.A O no hydrogen 3.142 N/A GLY 218.A N GLU 215.A O no hydrogen 2.615 N/A LEU 219.A N ARG 214.A O no hydrogen 2.699 N/A ALA 222.A N ASP 211.A OD1 no hydrogen 2.697 N/A TYR 223.A N ASP 211.A OD2 no hydrogen 2.911 N/A TYR 223.A OH MET 103.A O no hydrogen 2.948 N/A TYR 223.A OH HIS 106.A O no hydrogen 2.875 N/A THR 227.A N GLY 141.A O no hydrogen 3.292 N/A THR 227.A OG1 GLY 141.A O no hydrogen 3.403 N/A THR 227.A OG1 ILE 144.A O no hydrogen 2.728 N/A PHE 229.A N VAL 139.A O no hydrogen 3.036 N/A ALA 230.A N GLY 200.A O no hydrogen 3.040 N/A PHE 231.A N GLY 137.A O no hydrogen 3.087 N/A GLY 232.A N GLY 198.A O no hydrogen 2.843 N/A LEU 233.A N LEU 135.A O no hydrogen 3.171 N/A GLY 234.A N LEU 196.A O no hydrogen 3.231 N/A VAL 235.A N HIS 133.A O no hydrogen 2.907 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.913 N/A ARG 237.A NE THR 127.A O no hydrogen 2.827 N/A ARG 237.A NH2 THR 127.A O no hydrogen 2.852 N/A LEU 238.A N GLY 234.A O no hydrogen 3.292 N/A ALA 239.A N VAL 235.A O no hydrogen 2.861 N/A MET 240.A N GLU 236.A O no hydrogen 2.757 N/A LEU 241.A N ARG 237.A O no hydrogen 3.501 N/A ARG 242.A N LEU 238.A O no hydrogen 2.901 N/A ARG 242.A NE GLU 25.A OE1 no hydrogen 2.905 N/A ARG 242.A NH1 LEU 160.A O no hydrogen 3.273 N/A ARG 242.A NH2 LEU 160.A O no hydrogen 3.338 N/A TYR 243.A N ALA 239.A O no hydrogen 2.626 N/A ILE 245.A N MET 240.A O no hydrogen 2.854 N/A ILE 248.A N ALA 126.A O no hydrogen 2.895 N/A ARG 249.A N ASP 247.A OD1 no hydrogen 2.657 N/A ARG 249.A NE ASP 247.A OD1 no hydrogen 3.015 N/A ARG 249.A NE ASP 247.A OD2 no hydrogen 3.284 N/A ARG 249.A NH2 ASP 247.A OD2 no hydrogen 2.856 N/A TYR 250.A N ASP 247.A O no hydrogen 3.047 N/A GLY 253.A N TYR 250.A O no hydrogen 2.752 N/A PHE 258.A N ARG 255.A O no hydrogen 2.705 N/A LEU 259.A N ARG 255.A O no hydrogen 3.052 N/A GLU 260.A N LEU 256.A O no hydrogen 2.779 N/A GLN 261.A N PHE 258.A O no hydrogen 3.232 N/A PHE 262.A N LEU 259.A O no hydrogen 2.923 N/A LYS 263.A N GLU 260.A O no hydrogen 3.326 N/A LYS 263.A NZ SER 13.A O no hydrogen 3.138 N/A LYS 263.A NZ SER 13.A OG no hydrogen 2.454 N/A