Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xyw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 1.A O no hydrogen 3.173 N/A PHE 5.A N ASP 1.A O no hydrogen 3.241 N/A SER 6.A N LEU 2.A O no hydrogen 2.836 N/A SER 6.A OG LEU 2.A O no hydrogen 2.914 N/A LYS 7.A N LYS 3.A O no hydrogen 3.027 N/A HIS 8.A N ALA 4.A O no hydrogen 2.989 N/A ILE 9.A N PHE 5.A O no hydrogen 3.138 N/A TYR 10.A N SER 6.A O no hydrogen 2.941 N/A ASN 11.A N LYS 7.A O no hydrogen 2.874 N/A ALA 12.A N HIS 8.A O no hydrogen 2.909 N/A TYR 13.A N ILE 9.A O no hydrogen 2.872 N/A TYR 13.A OH ASP 168.A OD1 no hydrogen 2.719 N/A LEU 14.A N TYR 10.A O no hydrogen 2.943 N/A LYS 15.A N ASN 11.A O no hydrogen 2.878 N/A ASN 16.A N TYR 13.A O no hydrogen 2.853 N/A ASN 16.A ND2 ALA 12.A O no hydrogen 2.838 N/A ASN 16.A ND2 SER 89.A OG no hydrogen 3.128 N/A PHE 17.A N TYR 13.A O no hydrogen 2.853 N/A ASN 18.A N GLU 82.A OE2 no hydrogen 3.244 N/A ASN 18.A ND2 GLU 82.A OE2 no hydrogen 3.226 N/A LYS 21.A N ASP 168.A OD1 no hydrogen 2.633 N/A LYS 21.A NZ LEU 166.A O no hydrogen 3.097 N/A LYS 22.A N ASP 168.A OD2 no hydrogen 3.022 N/A LYS 23.A N THR 20.A OG1 no hydrogen 3.070 N/A LYS 23.A NZ THR 20.A OG1 no hydrogen 3.305 N/A ALA 24.A N THR 20.A O no hydrogen 3.131 N/A ARG 25.A N LYS 21.A O no hydrogen 2.712 N/A SER 26.A N LYS 22.A O no hydrogen 3.063 N/A SER 26.A OG LYS 23.A O no hydrogen 3.082 N/A ILE 27.A N LYS 23.A O no hydrogen 3.193 N/A LEU 28.A N ALA 24.A O no hydrogen 3.032 N/A THR 29.A N SER 26.A O no hydrogen 2.799 N/A THR 29.A OG1 ARG 25.A O no hydrogen 2.736 N/A GLY 30.A N SER 26.A O no hydrogen 2.699 N/A PHE 34.A N SER 132.A O no hydrogen 3.051 N/A ILE 36.A N PHE 134.A O no hydrogen 2.913 N/A HIS 37.A N THR 41.A OG1 no hydrogen 2.999 N/A ASP 38.A N THR 41.A OG1 no hydrogen 2.836 N/A THR 41.A N ASP 38.A OD1 no hydrogen 3.068 N/A THR 41.A OG1 ASP 38.A O no hydrogen 3.121 N/A THR 41.A OG1 ASP 38.A OD1 no hydrogen 2.675 N/A LEU 42.A N ASP 38.A O no hydrogen 3.073 N/A TRP 43.A N ILE 39.A O no hydrogen 2.947 N/A GLN 44.A N GLU 40.A O no hydrogen 2.884 N/A ALA 45.A N THR 41.A O no hydrogen 2.802 N/A GLU 46.A N LEU 42.A O no hydrogen 2.720 N/A LYS 47.A N TRP 43.A O no hydrogen 2.883 N/A GLY 48.A N GLN 44.A O no hydrogen 3.167 N/A LYS 52.A NZ ASN 18.A OD1 no hydrogen 2.953 N/A GLY 57.A N LEU 54.A O no hydrogen 3.100 N/A LEU 58.A N VAL 55.A O no hydrogen 3.327 N/A LYS 62.A NZ GLU 249.A O no hydrogen 3.021 N/A HIS 67.A N GLU 63.A O no hydrogen 2.800 N/A HIS 67.A NE2 GLU 46.A OE1 no hydrogen 2.724 N/A VAL 68.A N ILE 64.A O no hydrogen 3.147 N/A TYR 70.A N VAL 66.A O no hydrogen 2.890 N/A ARG 71.A N HIS 67.A O no hydrogen 3.075 N/A CYS 72.A N VAL 68.A O no hydrogen 3.012 N/A GLN 73.A N PHE 69.A O no hydrogen 2.903 N/A GLN 73.A NE2 SER 251.A O no hydrogen 2.808 N/A CYS 74.A N TYR 70.A O no hydrogen 3.123 N/A CYS 74.A SG TYR 70.A O no hydrogen 3.350 N/A THR 75.A N ARG 71.A O no hydrogen 3.510 N/A THR 75.A OG1 ARG 71.A O no hydrogen 3.458 N/A THR 76.A N CYS 72.A O no hydrogen 3.068 N/A THR 76.A OG1 CYS 72.A O no hydrogen 2.947 N/A VAL 77.A N GLN 73.A O no hydrogen 3.048 N/A GLU 78.A N CYS 74.A O no hydrogen 2.849 N/A THR 79.A N THR 75.A O no hydrogen 2.734 N/A THR 79.A OG1 THR 75.A O no hydrogen 2.634 N/A VAL 80.A N THR 76.A O no hydrogen 2.825 N/A ARG 81.A N VAL 77.A O no hydrogen 3.248 N/A ARG 81.A NE GLU 78.A OE1 no hydrogen 3.219 N/A GLU 82.A N GLU 78.A O no hydrogen 2.983 N/A LEU 83.A N THR 79.A O no hydrogen 2.948 N/A THR 84.A N VAL 80.A O no hydrogen 3.100 N/A THR 84.A OG1 VAL 80.A O no hydrogen 2.862 N/A GLU 85.A N ARG 81.A O no hydrogen 3.212 N/A PHE 86.A N GLU 82.A O no hydrogen 2.719 N/A ALA 87.A N LEU 83.A O no hydrogen 2.824 N/A LYS 88.A N THR 84.A O no hydrogen 2.917 N/A LYS 88.A NZ GLU 85.A OE2 no hydrogen 3.052 N/A SER 89.A N GLU 85.A O no hydrogen 3.133 N/A SER 89.A OG GLU 85.A O no hydrogen 3.049 N/A ILE 90.A N ALA 87.A O no hydrogen 3.007 N/A SER 94.A N ILE 90.A O no hydrogen 3.155 N/A SER 95.A N PHE 93.A O no hydrogen 2.787 N/A SER 95.A OG SER 92.A O no hydrogen 2.648 N/A LEU 96.A N PHE 93.A O no hydrogen 3.192 N/A GLN 101.A N PHE 97.A O no hydrogen 3.107 N/A GLN 101.A NE2 LEU 96.A O no hydrogen 2.992 N/A VAL 102.A N LEU 98.A O no hydrogen 3.071 N/A THR 103.A N ASN 99.A O no hydrogen 2.899 N/A THR 103.A OG1 ASN 99.A O no hydrogen 3.451 N/A LEU 104.A N ASP 100.A O no hydrogen 3.208 N/A LEU 105.A N GLN 101.A O no hydrogen 3.003 N/A LYS 106.A N VAL 102.A O no hydrogen 2.700 N/A LYS 106.A NZ GLU 258.A O no hydrogen 3.024 N/A LYS 106.A NZ GLU 258.A OE2 no hydrogen 3.407 N/A TYR 107.A N THR 103.A O no hydrogen 3.119 N/A GLY 108.A N LEU 104.A O no hydrogen 2.838 N/A VAL 109.A N LEU 105.A O no hydrogen 2.950 N/A ALA 112.A N GLY 108.A O no hydrogen 3.050 N/A ILE 113.A N VAL 109.A O no hydrogen 2.895 N/A PHE 114.A N HIS 110.A O no hydrogen 3.259 N/A ALA 115.A N GLU 111.A O no hydrogen 3.114 N/A MET 116.A N ALA 112.A O no hydrogen 2.959 N/A LEU 117.A N PHE 114.A O no hydrogen 3.242 N/A SER 119.A N MET 116.A O no hydrogen 3.262 N/A SER 119.A OG MET 116.A O no hydrogen 3.508 N/A ILE 120.A N LEU 117.A O no hydrogen 3.191 N/A VAL 121.A N ALA 118.A O no hydrogen 3.480 N/A ASN 122.A N GLY 125.A O no hydrogen 3.102 N/A LYS 123.A NZ ASP 124.A OD1 no hydrogen 2.825 N/A ASP 124.A N ASN 122.A OD1 no hydrogen 2.734 N/A GLY 125.A N ASN 122.A O no hydrogen 3.073 N/A LEU 126.A N VAL 135.A O no hydrogen 2.942 N/A LEU 127.A N ILE 120.A O no hydrogen 2.894 N/A VAL 128.A N GLY 133.A O no hydrogen 2.819 N/A ASN 130.A ND2 ASN 18.A OD1 no hydrogen 3.151 N/A SER 132.A N ALA 129.A O no hydrogen 2.974 N/A SER 132.A OG ALA 129.A O no hydrogen 2.673 N/A GLY 133.A N VAL 128.A O no hydrogen 3.103 N/A PHE 134.A N PHE 34.A O no hydrogen 3.287 N/A VAL 135.A N LEU 126.A O no hydrogen 2.800 N/A THR 136.A N ILE 36.A O no hydrogen 3.039 N/A ARG 137.A N ASP 124.A O no hydrogen 2.944 N/A ARG 137.A NE GLU 152.A OE2 no hydrogen 2.806 N/A ARG 137.A NH1 LYS 123.A O no hydrogen 2.688 N/A ARG 137.A NH2 GLU 152.A OE2 no hydrogen 2.771 N/A PHE 139.A N THR 136.A OG1 no hydrogen 3.147 N/A LEU 140.A N THR 136.A O no hydrogen 3.457 N/A ARG 141.A N ARG 137.A O no hydrogen 2.932 N/A SER 142.A N GLU 138.A O no hydrogen 2.958 N/A SER 142.A N PHE 139.A O no hydrogen 3.123 N/A SER 142.A OG GLU 138.A O no hydrogen 3.521 N/A SER 142.A OG PHE 139.A O no hydrogen 2.428 N/A LEU 143.A N LEU 140.A O no hydrogen 3.333 N/A ARG 144.A N SER 65.A OG no hydrogen 3.153 N/A ARG 144.A NE GLU 63.A OE1 no hydrogen 3.225 N/A ARG 144.A NE GLU 63.A OE2 no hydrogen 2.794 N/A ARG 144.A NH1 LYS 145.A O no hydrogen 3.214 N/A ARG 144.A NH1 GLU 247.A OE1 no hydrogen 3.302 N/A ARG 144.A NH1 GLU 247.A OE2 no hydrogen 3.119 N/A ARG 144.A NH2 GLU 63.A OE2 no hydrogen 2.753 N/A ARG 144.A NH2 GLU 247.A OE1 no hydrogen 2.987 N/A SER 148.A N ARG 144.A O no hydrogen 3.122 N/A ASP 149.A N PRO 146.A O no hydrogen 2.947 N/A LYS 154.A NZ ILE 150.A O no hydrogen 3.303 N/A LYS 154.A NZ HIS 236.A ND1 no hydrogen 3.033 N/A PHE 155.A N ILE 151.A O no hydrogen 3.289 N/A GLU 156.A N GLU 152.A O no hydrogen 3.187 N/A PHE 157.A N PRO 153.A O no hydrogen 3.188 N/A ALA 158.A N LYS 154.A O no hydrogen 2.838 N/A VAL 159.A N PHE 155.A O no hydrogen 3.182 N/A PHE 161.A N PHE 157.A O no hydrogen 2.791 N/A ASN 162.A N ALA 158.A O no hydrogen 2.927 N/A ASN 162.A ND2 ALA 118.A O no hydrogen 2.653 N/A ASN 162.A ND2 VAL 121.A O no hydrogen 3.590 N/A ALA 163.A N LYS 160.A O no hydrogen 3.322 N/A GLU 165.A N ASN 162.A O no hydrogen 3.045 N/A ASP 167.A N ASP 170.A OD2 no hydrogen 2.940 N/A SER 169.A OG ASP 167.A OD1 no hydrogen 2.627 N/A SER 169.A OG ASP 167.A OD2 no hydrogen 3.108 N/A ASP 170.A N ASP 167.A O no hydrogen 3.152 N/A ASP 170.A N ASP 167.A OD1 no hydrogen 3.074 N/A LEU 171.A N ASP 167.A O no hydrogen 3.143 N/A ALA 172.A N ASP 168.A O no hydrogen 3.132 N/A PHE 174.A N ASP 170.A O no hydrogen 2.886 N/A ILE 175.A N LEU 171.A O no hydrogen 2.752 N/A ALA 176.A N ALA 172.A O no hydrogen 3.176 N/A ALA 177.A N LEU 173.A O no hydrogen 3.040 N/A ILE 178.A N PHE 174.A O no hydrogen 3.076 N/A ILE 179.A N ILE 175.A O no hydrogen 2.971 N/A LEU 180.A N ALA 176.A O no hydrogen 3.071 N/A CYS 181.A SG ASP 183.A OD1 no hydrogen 3.523 N/A ARG 184.A NH1 GLU 111.A OE2 no hydrogen 3.254 N/A ARG 184.A NH2 GLU 111.A OE1 no hydrogen 2.972 N/A ARG 184.A NH2 ILE 178.A O no hydrogen 3.086 N/A MET 188.A N ASP 100.A OD1 no hydrogen 2.667 N/A MET 188.A N ASP 100.A OD2 no hydrogen 3.305 N/A ASN 189.A N ASP 100.A OD2 no hydrogen 2.900 N/A ARG 192.A N ASN 189.A OD1 no hydrogen 3.382 N/A VAL 193.A N ASN 189.A O no hydrogen 3.176 N/A GLU 194.A N VAL 190.A O no hydrogen 2.829 N/A ALA 195.A N PRO 191.A O no hydrogen 2.813 N/A ILE 196.A N ARG 192.A O no hydrogen 3.225 N/A GLN 197.A N VAL 193.A O no hydrogen 2.849 N/A GLN 197.A NE2 ALA 177.A O no hydrogen 3.450 N/A ASP 198.A N GLU 194.A O no hydrogen 3.108 N/A THR 199.A N ALA 195.A O no hydrogen 3.215 N/A THR 199.A OG1 ALA 195.A O no hydrogen 3.206 N/A ILE 200.A N ILE 196.A O no hydrogen 3.036 N/A LEU 201.A N GLN 197.A O no hydrogen 2.847 N/A ARG 202.A N ASP 198.A O no hydrogen 2.814 N/A ARG 202.A NE ASP 198.A OD2 no hydrogen 2.945 N/A ALA 203.A N THR 199.A O no hydrogen 2.831 N/A LEU 204.A N ILE 200.A O no hydrogen 2.669 N/A GLU 205.A N LEU 201.A O no hydrogen 3.139 N/A PHE 206.A N ARG 202.A O no hydrogen 3.176 N/A HIS 207.A N ALA 203.A O no hydrogen 3.051 N/A LEU 208.A N LEU 204.A O no hydrogen 3.029 N/A GLN 209.A N GLU 205.A O no hydrogen 3.210 N/A ASN 211.A N HIS 207.A O no hydrogen 2.860 N/A ASN 211.A ND2 ASP 167.A OD2 no hydrogen 3.452 N/A HIS 212.A N LEU 208.A O no hydrogen 2.943 N/A HIS 212.A NE2 ASP 170.A OD2 no hydrogen 2.652 N/A ALA 215.A N HIS 212.A O no hydrogen 3.460 N/A LYS 221.A N TYR 217.A O no hydrogen 3.193 N/A LYS 221.A NZ GLN 216.A O no hydrogen 3.352 N/A LEU 222.A N LEU 218.A O no hydrogen 2.913 N/A LEU 223.A N PHE 219.A O no hydrogen 2.998 N/A GLN 224.A N PRO 220.A O no hydrogen 3.164 N/A GLN 224.A N LYS 221.A O no hydrogen 3.168 N/A GLN 224.A NE2 ASP 228.A OD1 no hydrogen 2.623 N/A LYS 225.A N LYS 221.A O no hydrogen 2.926 N/A MET 226.A N LEU 222.A O no hydrogen 2.937 N/A ASP 228.A N GLN 224.A O no hydrogen 2.886 N/A LEU 229.A N LYS 225.A O no hydrogen 2.925 N/A ARG 230.A N MET 226.A O no hydrogen 3.299 N/A ARG 230.A NH2 ASP 183.A O no hydrogen 3.234 N/A GLN 231.A N ALA 227.A O no hydrogen 3.359 N/A GLN 231.A N ASP 228.A O no hydrogen 3.143 N/A LEU 232.A N ASP 228.A O no hydrogen 3.122 N/A VAL 233.A N LEU 229.A O no hydrogen 3.176 N/A THR 234.A N ARG 230.A O no hydrogen 3.230 N/A THR 234.A OG1 ARG 230.A O no hydrogen 2.790 N/A GLU 235.A N GLN 231.A O no hydrogen 2.854 N/A HIS 236.A N LEU 232.A O no hydrogen 2.896 N/A ALA 237.A N VAL 233.A O no hydrogen 2.799 N/A GLN 238.A N THR 234.A O no hydrogen 3.106 N/A MET 239.A N GLU 235.A O no hydrogen 3.099 N/A MET 240.A N HIS 236.A O no hydrogen 3.071 N/A GLN 241.A N ALA 237.A O no hydrogen 2.962 N/A GLN 241.A NE2 MET 263.A O no hydrogen 3.601 N/A ARG 242.A N GLN 238.A O no hydrogen 3.286 N/A ILE 243.A N MET 239.A O no hydrogen 2.982 N/A LYS 244.A N MET 240.A O no hydrogen 2.898 N/A LYS 245.A N GLN 241.A O no hydrogen 3.315 N/A LYS 245.A NZ GLN 241.A O no hydrogen 2.900 N/A THR 246.A N ARG 242.A O no hydrogen 2.925 N/A THR 246.A OG1 ARG 242.A O no hydrogen 2.939 N/A GLU 247.A N ILE 243.A O no hydrogen 2.904 N/A THR 248.A OG1 LYS 245.A O no hydrogen 3.254 N/A THR 250.A OG1 GLU 247.A O no hydrogen 3.177 N/A SER 251.A N TYR 70.A OH no hydrogen 2.913 N/A SER 251.A OG TYR 70.A OH no hydrogen 2.940 N/A LEU 255.A N HIS 253.A ND1 no hydrogen 3.060 N/A GLN 257.A N HIS 253.A O no hydrogen 2.774 N/A GLU 258.A N PRO 254.A O no hydrogen 2.846 N/A ILE 259.A N LEU 255.A O no hydrogen 3.106 N/A TYR 260.A N LEU 256.A O no hydrogen 2.978 N/A TYR 260.A OH HIS 110.A NE2 no hydrogen 3.389 N/A TYR 260.A OH HIS 236.A NE2 no hydrogen 3.375 N/A LYS 261.A N GLU 258.A O no hydrogen 3.381 N/A