Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ayy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N ASP 2.A O no hydrogen 3.216 N/A LEU 6.A N ALA 3.A O no hydrogen 3.452 N/A LEU 9.A N LEU 6.A O no hydrogen 3.080 N/A LEU 10.A N ALA 7.A O no hydrogen 2.871 N/A THR 14.A OG1 PRO 11.A O no hydrogen 3.202 N/A LEU 15.A N PRO 11.A O no hydrogen 3.232 N/A ALA 16.A N PRO 12.A O no hydrogen 3.127 N/A ALA 17.A N VAL 13.A O no hydrogen 3.054 N/A LEU 18.A N THR 14.A O no hydrogen 3.053 N/A VAL 19.A N LEU 15.A O no hydrogen 2.965 N/A ASP 20.A N ALA 16.A O no hydrogen 3.216 N/A SER 21.A N ALA 17.A O no hydrogen 3.158 N/A SER 21.A OG ALA 17.A O no hydrogen 3.417 N/A SER 21.A OG LEU 18.A O no hydrogen 2.465 N/A TRP 22.A N LEU 18.A O no hydrogen 3.073 N/A LEU 23.A N VAL 19.A O no hydrogen 3.072 N/A ARG 24.A N ASP 20.A O no hydrogen 2.795 N/A GLU 25.A N SER 21.A O no hydrogen 3.045 N/A ASP 26.A N TRP 22.A O no hydrogen 3.389 N/A CYS 27.A N LEU 23.A O no hydrogen 3.130 N/A ALA 34.A N ASN 31.A O no hydrogen 2.969 N/A LEU 35.A N TYR 32.A O no hydrogen 3.085 N/A VAL 36.A N ALA 33.A O no hydrogen 3.166 N/A SER 37.A OG GLY 38.A O no hydrogen 3.272 N/A GLY 38.A N ALA 34.A O no hydrogen 2.843 N/A SER 42.A N GLY 92.A O no hydrogen 2.858 N/A SER 42.A OG GLY 40.A O no hydrogen 3.026 N/A ALA 44.A N VAL 90.A O no hydrogen 2.853 N/A ALA 45.A N LYS 284.A O no hydrogen 2.823 N/A LEU 46.A N ALA 88.A O no hydrogen 3.018 N/A TRP 47.A N SER 282.A O no hydrogen 2.848 N/A ALA 48.A N ALA 85.A O no hydrogen 2.792 N/A LYS 49.A N ASP 280.A O no hydrogen 2.750 N/A VAL 53.A N SER 116.A OG no hydrogen 2.811 N/A LEU 54.A N SER 79.A O no hydrogen 2.991 N/A ALA 55.A N SER 112.A OG no hydrogen 3.022 N/A GLY 56.A N GLU 77.A OE2 no hydrogen 2.907 N/A GLN 57.A N GLU 77.A OE1 no hydrogen 3.384 N/A GLN 57.A NE2 LEU 75.A O no hydrogen 2.865 N/A PHE 59.A N GLY 56.A O no hydrogen 3.095 N/A PHE 60.A N GLY 56.A O no hydrogen 3.018 N/A ASP 61.A N GLN 57.A O no hydrogen 2.785 N/A ALA 62.A N PRO 58.A O no hydrogen 3.077 N/A ILE 63.A N PHE 59.A O no hydrogen 2.963 N/A PHE 64.A N PHE 60.A O no hydrogen 3.185 N/A THR 65.A N ASP 61.A O no hydrogen 2.790 N/A THR 65.A OG1 ASP 61.A O no hydrogen 3.027 N/A GLN 66.A N ALA 62.A O no hydrogen 2.943 N/A GLN 66.A NE2 ASP 20.A OD1 no hydrogen 2.726 N/A LEU 67.A N PHE 64.A O no hydrogen 2.756 N/A ASN 68.A N THR 65.A O no hydrogen 2.898 N/A CYS 69.A N PHE 64.A O no hydrogen 3.122 N/A CYS 69.A SG LEU 67.A O no hydrogen 3.425 N/A GLN 70.A N ARG 91.A O no hydrogen 2.783 N/A SER 72.A N GLU 89.A O no hydrogen 2.768 N/A TRP 73.A NE1 ASP 61.A OD1 no hydrogen 2.733 N/A PHE 74.A N VAL 87.A O no hydrogen 2.888 N/A SER 79.A N PRO 76.A O no hydrogen 3.059 N/A SER 79.A OG PRO 76.A O no hydrogen 2.897 N/A LEU 81.A N GLY 52.A O no hydrogen 2.923 N/A ALA 85.A N ALA 48.A O no hydrogen 3.129 N/A VAL 87.A N LEU 46.A O no hydrogen 2.954 N/A GLU 89.A N SER 72.A O no hydrogen 2.982 N/A VAL 90.A N ALA 44.A O no hydrogen 2.896 N/A ARG 91.A N GLN 70.A O no hydrogen 2.839 N/A ARG 91.A NH1 SER 72.A OG no hydrogen 2.756 N/A GLY 92.A N SER 42.A O no hydrogen 3.095 N/A ALA 94.A N GLY 40.A O no hydrogen 2.823 N/A LEU 97.A N PRO 93.A O no hydrogen 3.071 N/A LEU 98.A N ALA 94.A O no hydrogen 3.185 N/A LEU 99.A N HIS 95.A O no hydrogen 3.082 N/A GLY 100.A N CYS 96.A O no hydrogen 3.256 N/A GLU 101.A N LEU 97.A O no hydrogen 2.965 N/A ARG 102.A NE ASN 106.A OD1 no hydrogen 3.224 N/A ALA 104.A N GLY 100.A O no hydrogen 3.137 N/A LEU 105.A N GLU 101.A O no hydrogen 2.917 N/A ASN 106.A N ARG 102.A O no hydrogen 2.785 N/A THR 107.A N VAL 103.A O no hydrogen 3.031 N/A THR 107.A OG1 VAL 103.A O no hydrogen 2.667 N/A LEU 108.A N ALA 104.A O no hydrogen 2.866 N/A ALA 109.A N LEU 105.A O no hydrogen 2.780 N/A ARG 110.A N ASN 106.A O no hydrogen 3.281 N/A CYS 111.A N THR 107.A O no hydrogen 3.049 N/A CYS 111.A SG VAL 147.A O no hydrogen 3.524 N/A SER 112.A N LEU 108.A O no hydrogen 2.853 N/A SER 112.A OG ALA 55.A O no hydrogen 2.896 N/A SER 112.A OG LEU 108.A O no hydrogen 2.747 N/A GLY 113.A N ALA 109.A O no hydrogen 2.720 N/A ILE 114.A N ARG 110.A O no hydrogen 3.291 N/A ALA 115.A N CYS 111.A O no hydrogen 3.048 N/A SER 116.A N SER 112.A O no hydrogen 2.858 N/A SER 116.A OG SER 112.A O no hydrogen 2.721 N/A ALA 117.A N GLY 113.A O no hydrogen 2.886 N/A ALA 118.A N ILE 114.A O no hydrogen 2.851 N/A ALA 119.A N ALA 115.A O no hydrogen 2.894 N/A ALA 120.A N SER 116.A O no hydrogen 2.953 N/A ALA 121.A N ALA 117.A O no hydrogen 3.190 N/A VAL 122.A N ALA 118.A O no hydrogen 2.800 N/A GLU 123.A N ALA 119.A O no hydrogen 2.767 N/A ALA 124.A N ALA 120.A O no hydrogen 3.046 N/A ALA 125.A N ALA 121.A O no hydrogen 3.127 N/A ARG 126.A N VAL 122.A O no hydrogen 2.930 N/A ARG 126.A NE GLU 123.A OE1 no hydrogen 2.949 N/A ARG 126.A NH2 GLU 123.A OE2 no hydrogen 2.823 N/A GLY 127.A N GLU 123.A O no hydrogen 2.781 N/A ALA 128.A N ALA 124.A O no hydrogen 2.717 N/A GLY 129.A N ARG 126.A O no hydrogen 2.892 N/A TRP 130.A N ALA 125.A O no hydrogen 2.818 N/A TRP 130.A NE1 GLY 261.A O no hydrogen 2.947 N/A TRP 130.A NE1 ILE 264.A O no hydrogen 3.075 N/A HIS 133.A N ASP 265.A O no hydrogen 2.903 N/A ALA 135.A N ILE 267.A O no hydrogen 2.637 N/A GLY 136.A N ALA 158.A O no hydrogen 3.254 N/A LYS 139.A N THR 137.A OG1 no hydrogen 2.989 N/A THR 140.A N ARG 138.A O no hydrogen 2.844 N/A THR 140.A OG1 ARG 138.A O no hydrogen 3.319 N/A THR 141.A N GLU 148.A OE1 no hydrogen 2.801 N/A THR 141.A OG1 GLU 148.A OE2 no hydrogen 2.868 N/A PHE 144.A N THR 141.A O no hydrogen 3.157 N/A ARG 145.A NE THR 140.A OG1 no hydrogen 2.854 N/A ARG 145.A NH1 THR 140.A OG1 no hydrogen 3.382 N/A GLU 148.A N PHE 144.A O no hydrogen 3.235 N/A LYS 149.A N ARG 145.A O no hydrogen 2.786 N/A LYS 149.A NZ THR 137.A O no hydrogen 2.898 N/A LYS 149.A NZ SER 159.A O no hydrogen 2.746 N/A LYS 149.A NZ ARG 161.A O no hydrogen 2.747 N/A TYR 150.A N LEU 146.A O no hydrogen 2.888 N/A TYR 150.A OH GLU 77.A OE2 no hydrogen 2.653 N/A GLY 151.A N VAL 147.A O no hydrogen 2.963 N/A LEU 152.A N GLU 148.A O no hydrogen 3.029 N/A LEU 153.A N LYS 149.A O no hydrogen 3.385 N/A VAL 154.A N TYR 150.A O no hydrogen 3.181 N/A GLY 155.A N GLY 151.A O no hydrogen 3.092 N/A GLY 156.A N LEU 153.A O no hydrogen 2.803 N/A ALA 157.A N LEU 152.A O no hydrogen 3.015 N/A ALA 158.A N VAL 134.A O no hydrogen 2.864 N/A SER 159.A OG HIS 160.A O no hydrogen 3.128 N/A HIS 160.A NE2 GLU 246.A OE1 no hydrogen 3.110 N/A ARG 161.A N HIS 160.A ND1 no hydrogen 3.137 N/A ARG 161.A NH2 LEU 167.A O no hydrogen 3.121 N/A GLY 165.A N ASP 163.A OD1 no hydrogen 3.245 N/A GLY 166.A N ASP 163.A O no hydrogen 3.382 N/A VAL 168.A N LYS 197.A O no hydrogen 2.899 N/A VAL 170.A N GLU 199.A O no hydrogen 2.912 N/A LYS 171.A N HIS 174.A ND1 no hydrogen 3.399 N/A ASN 173.A N ASP 172.A OD1 no hydrogen 2.585 N/A VAL 175.A N LYS 171.A O no hydrogen 3.126 N/A VAL 176.A N ASP 172.A O no hydrogen 2.996 N/A ALA 177.A N ASN 173.A O no hydrogen 2.964 N/A ALA 178.A N HIS 174.A O no hydrogen 2.928 N/A GLY 179.A N VAL 176.A O no hydrogen 3.205 N/A GLY 180.A N VAL 175.A O no hydrogen 3.089 N/A ALA 184.A N GLY 180.A O no hydrogen 3.185 N/A VAL 185.A N VAL 181.A O no hydrogen 2.937 N/A ARG 186.A N GLU 182.A O no hydrogen 3.010 N/A ALA 187.A N LYS 183.A O no hydrogen 3.086 N/A ALA 188.A N ALA 184.A O no hydrogen 3.020 N/A ARG 189.A N VAL 185.A O no hydrogen 2.727 N/A ARG 189.A NH1 GLY 215.A O no hydrogen 2.771 N/A ARG 189.A NH1 ASP 217.A OD1 no hydrogen 2.756 N/A GLN 190.A N ARG 186.A O no hydrogen 2.834 N/A ALA 191.A N ALA 187.A O no hydrogen 3.000 N/A ALA 192.A N ARG 189.A O no hydrogen 3.273 N/A VAL 198.A N ASP 217.A OD1 no hydrogen 3.153 N/A GLU 199.A N VAL 168.A O no hydrogen 3.114 N/A VAL 200.A N LEU 218.A O no hydrogen 3.166 N/A GLU 201.A N VAL 170.A O no hydrogen 2.835 N/A CYS 202.A N LEU 220.A O no hydrogen 2.874 N/A CYS 202.A SG VAL 200.A O no hydrogen 3.588 N/A SER 203.A N GLU 207.A OE2 no hydrogen 3.188 N/A SER 203.A OG GLU 207.A OE2 no hydrogen 3.359 N/A ALA 208.A N SER 204.A O no hydrogen 3.084 N/A VAL 209.A N LEU 205.A O no hydrogen 3.136 N/A GLN 210.A N GLN 206.A O no hydrogen 3.021 N/A GLN 210.A NE2 GLU 182.A OE1 no hydrogen 3.461 N/A ALA 211.A N GLU 207.A O no hydrogen 3.072 N/A ALA 212.A N ALA 208.A O no hydrogen 2.855 N/A GLU 213.A N VAL 209.A O no hydrogen 2.727 N/A ALA 214.A N GLN 210.A O no hydrogen 2.927 N/A GLY 215.A N ALA 212.A O no hydrogen 3.088 N/A ALA 216.A N ALA 211.A O no hydrogen 3.168 N/A LEU 218.A N VAL 198.A O no hydrogen 3.116 N/A VAL 219.A N ALA 244.A O no hydrogen 2.944 N/A LEU 220.A N VAL 200.A O no hydrogen 2.731 N/A LEU 221.A N GLU 246.A O no hydrogen 2.764 N/A ASP 222.A N CYS 202.A O no hydrogen 3.129 N/A ASN 223.A N SER 248.A O no hydrogen 2.982 N/A GLU 228.A N LYS 225.A O no hydrogen 2.997 N/A LEU 229.A N LYS 225.A O no hydrogen 2.914 N/A HIS 230.A N PRO 226.A O no hydrogen 3.323 N/A HIS 230.A NE2 GLN 258.A O no hydrogen 2.767 N/A THR 232.A N GLU 228.A O no hydrogen 3.078 N/A THR 232.A OG1 GLU 228.A O no hydrogen 2.770 N/A ALA 233.A N LEU 229.A O no hydrogen 2.848 N/A THR 234.A N HIS 230.A O no hydrogen 2.786 N/A THR 234.A OG1 HIS 230.A O no hydrogen 2.657 N/A VAL 235.A N PRO 231.A O no hydrogen 3.238 N/A LEU 236.A N THR 232.A O no hydrogen 3.110 N/A LYS 237.A N ALA 233.A O no hydrogen 3.085 N/A LYS 237.A NZ VAL 243.A O no hydrogen 2.742 N/A LYS 237.A NZ ASP 265.A OD2 no hydrogen 2.858 N/A ALA 238.A N THR 234.A O no hydrogen 3.275 N/A GLN 239.A N VAL 235.A O no hydrogen 2.962 N/A PHE 240.A N LEU 236.A O no hydrogen 2.661 N/A VAL 243.A N PHE 240.A O no hydrogen 3.217 N/A ALA 244.A N ASP 217.A O no hydrogen 3.069 N/A VAL 245.A N ASP 265.A OD2 no hydrogen 2.937 N/A GLU 246.A N VAL 219.A O no hydrogen 2.985 N/A ALA 247.A N VAL 266.A O no hydrogen 2.937 N/A SER 248.A OG SER 268.A OG no hydrogen 3.021 N/A THR 252.A N ASN 255.A OD1 no hydrogen 3.164 N/A ASN 255.A N THR 252.A OG1 no hydrogen 3.158 N/A ASN 255.A ND2 GLY 250.A O no hydrogen 3.221 N/A GLN 258.A N ASN 255.A O no hydrogen 2.896 N/A PHE 259.A N LEU 256.A O no hydrogen 2.853 N/A CYS 260.A N PRO 257.A O no hydrogen 3.314 N/A CYS 260.A SG LEU 256.A O no hydrogen 3.489 N/A ILE 264.A N GLY 261.A O no hydrogen 3.420 N/A ASP 265.A N VAL 245.A O no hydrogen 2.846 N/A VAL 266.A N VAL 245.A O no hydrogen 3.084 N/A ILE 267.A N HIS 133.A O no hydrogen 2.874 N/A SER 268.A N ALA 247.A O no hydrogen 3.130 N/A SER 268.A OG GLU 246.A OE2 no hydrogen 2.344 N/A SER 268.A OG ALA 247.A O no hydrogen 3.467 N/A SER 268.A OG SER 248.A OG no hydrogen 3.021 N/A MET 269.A N ALA 135.A O no hydrogen 3.156 N/A LEU 272.A N MET 269.A O no hydrogen 3.278 N/A THR 273.A N GLY 270.A O no hydrogen 3.315 N/A THR 273.A OG1 LYS 139.A O no hydrogen 2.653 N/A THR 273.A OG1 GLY 270.A O no hydrogen 3.215 N/A GLN 274.A N GLY 270.A O no hydrogen 3.067 N/A ALA 275.A N MET 271.A O no hydrogen 3.051 N/A LEU 279.A N ALA 109.A O no hydrogen 3.240 N/A ASP 280.A N SER 50.A OG no hydrogen 2.862 N/A SER 282.A N TRP 47.A O no hydrogen 3.165 N/A LYS 284.A N ALA 45.A O no hydrogen 2.996 N/A PHE 286.A N GLN 43.A O no hydrogen 3.207 N/A