Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wly_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N GLN 89.A OE1 no hydrogen 2.805 N/A ALA 3.A N GLU 18.A O no hydrogen 2.912 N/A ALA 4.A N TYR 87.A O no hydrogen 3.033 N/A VAL 5.A N VAL 16.A O no hydrogen 2.874 N/A ILE 6.A N ILE 51.A O no hydrogen 2.907 N/A HIS 7.A NE2 GLU 18.A OE1 no hydrogen 2.579 N/A HIS 7.A NE2 GLU 18.A OE2 no hydrogen 3.181 N/A GLY 10.A N ARG 47.A O no hydrogen 2.982 N/A ASN 14.A N GLY 11.A O no hydrogen 3.016 N/A ASN 14.A ND2 LYS 8.A O no hydrogen 2.730 N/A PHE 15.A N PRO 12.A O no hydrogen 3.311 N/A VAL 16.A N VAL 5.A O no hydrogen 2.812 N/A GLU 18.A N ALA 3.A O no hydrogen 3.125 N/A VAL 20.A N VAL 1.A O no hydrogen 2.776 N/A LYS 21.A NZ GLU 19.A OE1 no hydrogen 2.485 N/A SER 24.A OG GLU 63.A OE1 no hydrogen 2.490 N/A GLY 28.A N PRO 66.A O no hydrogen 3.141 N/A GLN 29.A N GLY 26.A O no hydrogen 3.052 N/A GLN 29.A NE2 PRO 27.A O no hydrogen 3.034 N/A VAL 30.A N TYR 93.A O no hydrogen 2.966 N/A ARG 31.A N GLU 63.A O no hydrogen 2.762 N/A ARG 31.A NE GLU 63.A OE2 no hydrogen 2.907 N/A ARG 31.A NH1 GLU 90.A OE1 no hydrogen 2.991 N/A ARG 31.A NH2 GLU 63.A OE2 no hydrogen 3.261 N/A LEU 32.A N ARG 91.A O no hydrogen 2.792 N/A ARG 33.A N VAL 60.A O no hydrogen 2.892 N/A ARG 33.A NE GLU 62.A OE1 no hydrogen 3.056 N/A ASN 34.A N GLN 89.A O no hydrogen 2.991 N/A ASN 34.A ND2 SER 88.A O no hydrogen 2.901 N/A THR 35.A N ALA 58.A O no hydrogen 2.802 N/A ALA 36.A N ALA 58.A O no hydrogen 3.394 N/A ILE 37.A N LEU 318.A O no hydrogen 2.949 N/A GLY 38.A N GLU 56.A O no hydrogen 2.793 N/A VAL 39.A N ILE 316.A O no hydrogen 2.792 N/A ASN 40.A N ASP 43.A OD2 no hydrogen 2.953 N/A ASN 40.A ND2 GLY 38.A O no hydrogen 3.592 N/A ASN 40.A ND2 GLU 56.A OE1 no hydrogen 2.879 N/A ASP 43.A N ASN 40.A O no hydrogen 2.908 N/A THR 44.A N PHE 41.A O no hydrogen 3.018 N/A THR 44.A OG1 PHE 41.A O no hydrogen 2.772 N/A TYR 45.A N LEU 42.A O no hydrogen 2.897 N/A HIS 46.A N LEU 42.A O no hydrogen 3.080 N/A ARG 47.A N ASP 43.A O no hydrogen 3.001 N/A ARG 47.A NE GLY 10.A O no hydrogen 2.820 N/A ARG 47.A NH1 HIS 304.A ND1 no hydrogen 2.857 N/A ARG 47.A NH2 GLY 10.A O no hydrogen 3.428 N/A ALA 48.A N THR 44.A O no hydrogen 3.005 N/A ILE 51.A N ILE 6.A O no hydrogen 2.958 N/A ALA 57.A N THR 79.A O no hydrogen 3.010 N/A ALA 58.A N ALA 36.A O no hydrogen 2.864 N/A ALA 59.A N VAL 77.A O no hydrogen 2.805 N/A VAL 60.A N ARG 33.A O no hydrogen 2.866 N/A VAL 61.A N GLU 75.A O no hydrogen 2.914 N/A GLU 62.A N ARG 31.A O no hydrogen 2.887 N/A GLY 65.A N GLN 29.A O no hydrogen 2.851 N/A VAL 68.A N GLY 65.A O no hydrogen 3.142 N/A THR 72.A N GLU 75.A OE1 no hydrogen 2.996 N/A GLY 74.A N VAL 61.A O no hydrogen 2.776 N/A GLU 75.A N THR 72.A O no hydrogen 3.130 N/A ARG 76.A NH1 LEU 107.A O no hydrogen 3.066 N/A ARG 76.A NH2 LEU 107.A O no hydrogen 2.988 N/A ARG 76.A NH2 ASP 109.A OD1 no hydrogen 2.821 N/A VAL 77.A N ALA 59.A O no hydrogen 3.034 N/A CYS 78.A N ILE 99.A O no hydrogen 2.901 N/A THR 79.A N ALA 57.A O no hydrogen 2.941 N/A THR 79.A OG1 PHE 55.A O no hydrogen 2.932 N/A GLY 85.A N GLY 54.A O no hydrogen 2.920 N/A ALA 86.A N GLY 54.A O no hydrogen 3.015 N/A TYR 87.A N VAL 53.A O no hydrogen 2.957 N/A TYR 87.A OH ASP 43.A OD2 no hydrogen 2.683 N/A TYR 87.A OH HIS 304.A NE2 no hydrogen 2.752 N/A SER 88.A N ALA 86.A O no hydrogen 2.752 N/A SER 88.A OG GLY 85.A O no hydrogen 2.732 N/A SER 88.A OG GLU 90.A O no hydrogen 3.332 N/A GLN 89.A N MET 2.A O no hydrogen 2.880 N/A GLN 89.A NE2 PRO 320.A O no hydrogen 2.992 N/A ARG 91.A N LEU 32.A O no hydrogen 3.006 N/A ARG 91.A NH2 PRO 83.A O no hydrogen 2.807 N/A TYR 93.A N VAL 30.A O no hydrogen 3.060 N/A TYR 93.A OH LEU 81.A O no hydrogen 2.726 N/A ALA 95.A N GLY 28.A O no hydrogen 2.957 N/A LYS 97.A N PRO 94.A O no hydrogen 3.414 N/A LEU 98.A N ALA 95.A O no hydrogen 3.106 N/A ILE 99.A N CYS 78.A O no hydrogen 2.911 N/A LYS 100.A NZ ASP 70.A O no hydrogen 2.514 N/A LYS 100.A NZ GLU 75.A OE2 no hydrogen 2.794 N/A VAL 101.A N ARG 76.A O no hydrogen 3.081 N/A LEU 105.A N PRO 102.A O no hydrogen 3.217 N/A HIS 111.A N ASP 108.A OD1 no hydrogen 2.965 N/A HIS 111.A ND1 ASP 108.A OD1 no hydrogen 2.777 N/A LEU 112.A N ASP 108.A O no hydrogen 2.896 N/A ALA 113.A N ASP 109.A O no hydrogen 2.825 N/A GLY 114.A N VAL 110.A O no hydrogen 3.095 N/A LEU 115.A N HIS 111.A O no hydrogen 3.112 N/A LEU 115.A N LEU 112.A O no hydrogen 3.171 N/A LEU 117.A N GLU 56.A OE2 no hydrogen 2.755 N/A LYS 118.A NZ GLY 114.A O no hydrogen 3.220 N/A GLY 119.A N LEU 115.A O no hydrogen 2.763 N/A MET 120.A N MET 116.A O no hydrogen 2.836 N/A THR 121.A N LEU 117.A O no hydrogen 2.976 N/A THR 121.A OG1 LEU 117.A O no hydrogen 2.750 N/A ALA 122.A N LYS 118.A O no hydrogen 2.826 N/A GLN 123.A N GLY 119.A O no hydrogen 3.015 N/A TYR 124.A N MET 120.A O no hydrogen 3.274 N/A LEU 125.A N THR 121.A O no hydrogen 3.062 N/A LEU 126.A N ALA 122.A O no hydrogen 2.982 N/A HIS 127.A N GLN 123.A O no hydrogen 3.111 N/A HIS 127.A ND1 GLN 123.A O no hydrogen 2.779 N/A GLN 128.A N TYR 124.A O no hydrogen 2.842 N/A THR 129.A N TYR 124.A O no hydrogen 2.926 N/A THR 129.A OG1 TYR 264.A OH no hydrogen 2.909 N/A HIS 130.A N LEU 125.A O no hydrogen 3.327 N/A HIS 130.A NE2 ASP 136.A OD2 no hydrogen 2.933 N/A VAL 132.A N LEU 126.A O no hydrogen 2.986 N/A LYS 133.A N ASP 136.A OD2 no hydrogen 2.860 N/A LYS 133.A NZ ASP 136.A OD1 no hydrogen 2.699 N/A GLY 135.A N GLY 159.A O no hydrogen 2.973 N/A ASP 136.A N LYS 133.A O no hydrogen 2.985 N/A TYR 137.A N ASP 205.A OD2 no hydrogen 2.806 N/A VAL 138.A N THR 161.A O no hydrogen 2.941 N/A LEU 139.A N VAL 206.A O no hydrogen 3.064 N/A ILE 140.A N ILE 163.A O no hydrogen 2.846 N/A HIS 141.A N TYR 208.A O no hydrogen 3.206 N/A HIS 141.A ND1 THR 165.A OG1 no hydrogen 2.829 N/A HIS 141.A NE2 SER 219.A OG no hydrogen 2.842 N/A ALA 142.A N THR 165.A OG1 no hydrogen 3.320 N/A ALA 143.A N THR 165.A O no hydrogen 2.820 N/A GLY 145.A N ALA 142.A O no hydrogen 3.052 N/A HIS 149.A N GLY 145.A O no hydrogen 2.903 N/A HIS 149.A ND1 GLY 145.A O no hydrogen 2.806 N/A ILE 150.A N MET 147.A O no hydrogen 2.959 N/A MET 151.A N MET 147.A O no hydrogen 2.803 N/A VAL 152.A N GLY 148.A O no hydrogen 2.925 N/A TRP 154.A N ILE 150.A O no hydrogen 3.225 N/A ALA 155.A N MET 151.A O no hydrogen 2.875 N/A ARG 156.A N VAL 152.A O no hydrogen 3.023 N/A ARG 156.A NH1 GLY 179.A O no hydrogen 2.838 N/A HIS 157.A N PRO 153.A O no hydrogen 2.976 N/A LEU 158.A N TRP 154.A O no hydrogen 2.962 N/A GLY 159.A N ARG 156.A O no hydrogen 2.931 N/A ALA 160.A N ALA 155.A O no hydrogen 3.242 N/A THR 161.A N ASP 136.A O no hydrogen 2.782 N/A VAL 162.A N HIS 181.A ND1 no hydrogen 2.958 N/A ILE 163.A N VAL 138.A O no hydrogen 2.910 N/A GLY 164.A N HIS 182.A O no hydrogen 2.965 N/A THR 165.A N ILE 140.A O no hydrogen 2.999 N/A THR 165.A OG1 HIS 141.A ND1 no hydrogen 2.829 N/A VAL 166.A N ILE 184.A O no hydrogen 2.878 N/A LYS 171.A N THR 168.A OG1 no hydrogen 2.942 N/A LYS 171.A NZ SER 167.A OG no hydrogen 2.433 N/A ALA 172.A N THR 168.A O no hydrogen 3.007 N/A GLU 173.A N GLU 169.A O no hydrogen 3.084 N/A THR 174.A N GLU 170.A O no hydrogen 3.113 N/A THR 174.A OG1 GLU 170.A O no hydrogen 3.399 N/A ALA 175.A N LYS 171.A O no hydrogen 2.803 N/A ARG 176.A N ALA 172.A O no hydrogen 2.784 N/A ARG 176.A NE GLU 173.A OE2 no hydrogen 2.910 N/A ARG 176.A NH2 GLU 173.A OE1 no hydrogen 2.947 N/A LYS 177.A N GLU 173.A O no hydrogen 2.936 N/A LEU 178.A N THR 174.A O no hydrogen 2.978 N/A GLY 179.A N ALA 175.A O no hydrogen 3.301 N/A GLY 179.A N ARG 176.A O no hydrogen 2.955 N/A CYS 180.A N ALA 175.A O no hydrogen 2.997 N/A CYS 180.A SG ALA 175.A O no hydrogen 3.480 N/A HIS 181.A N VAL 162.A O no hydrogen 2.719 N/A HIS 182.A N VAL 162.A O no hydrogen 3.191 N/A ILE 184.A N GLY 164.A O no hydrogen 2.958 N/A ASN 185.A N GLN 189.A OE1 no hydrogen 2.809 N/A ASN 185.A ND2 GLU 169.A OE2 no hydrogen 3.095 N/A TYR 186.A N VAL 166.A O no hydrogen 2.946 N/A SER 187.A N ASN 185.A OD1 no hydrogen 2.676 N/A SER 187.A OG SER 167.A O no hydrogen 3.217 N/A SER 187.A OG ASN 185.A OD1 no hydrogen 2.623 N/A THR 188.A N ASN 185.A O no hydrogen 3.135 N/A THR 188.A OG1 ASN 185.A O no hydrogen 3.371 N/A GLU 193.A N ASP 190.A OD1 no hydrogen 3.175 N/A VAL 194.A N ASP 190.A O no hydrogen 2.996 N/A VAL 195.A N PHE 191.A O no hydrogen 2.844 N/A ARG 196.A N ALA 192.A O no hydrogen 3.150 N/A ARG 196.A NH1 GLY 201.A O no hydrogen 2.928 N/A ARG 196.A NH2 ASP 221.A O no hydrogen 2.598 N/A ARG 196.A NH2 LEU 223.A O no hydrogen 3.255 N/A GLU 197.A N GLU 193.A O no hydrogen 3.147 N/A ILE 198.A N VAL 194.A O no hydrogen 2.832 N/A THR 199.A N VAL 195.A O no hydrogen 2.939 N/A THR 199.A OG1 VAL 195.A O no hydrogen 2.767 N/A GLY 200.A N GLU 197.A O no hydrogen 3.154 N/A GLY 201.A N ARG 196.A O no hydrogen 2.722 N/A LYS 202.A N THR 199.A O no hydrogen 3.283 N/A GLY 203.A N THR 199.A OG1 no hydrogen 2.928 N/A VAL 204.A N CYS 222.A O no hydrogen 2.853 N/A ASP 205.A N TYR 137.A O no hydrogen 2.932 N/A VAL 207.A N MET 228.A O no hydrogen 3.043 N/A TYR 208.A N LEU 139.A O no hydrogen 2.945 N/A TYR 208.A OH LEU 125.A O no hydrogen 2.781 N/A ASP 209.A N ALA 230.A O no hydrogen 3.028 N/A ILE 211.A N ASP 209.A OD1 no hydrogen 2.899 N/A GLY 212.A N ASP 209.A OD1 no hydrogen 2.781 N/A LYS 213.A N GLY 237.A O no hydrogen 2.998 N/A ASP 214.A N SER 236.A OG no hydrogen 3.048 N/A THR 215.A N GLY 212.A O no hydrogen 3.183 N/A THR 215.A OG1 ASP 209.A OD1 no hydrogen 3.149 N/A THR 215.A OG1 ASP 209.A OD2 no hydrogen 2.666 N/A THR 215.A OG1 GLY 212.A O no hydrogen 3.470 N/A LEU 216.A N GLY 212.A O no hydrogen 2.926 N/A GLN 217.A NE2 ASP 247.A OD2 no hydrogen 3.120 N/A LYS 218.A NZ ASP 190.A OD1 no hydrogen 3.151 N/A LYS 218.A NZ ASP 190.A OD2 no hydrogen 3.217 N/A SER 219.A N THR 215.A O no hydrogen 2.701 N/A SER 219.A OG HIS 141.A NE2 no hydrogen 2.842 N/A SER 219.A OG ASP 209.A OD2 no hydrogen 2.629 N/A SER 219.A OG THR 215.A O no hydrogen 2.953 N/A LEU 220.A N LEU 216.A O no hydrogen 2.934 N/A ASP 221.A N GLN 217.A O no hydrogen 2.856 N/A CYS 222.A N LYS 218.A O no hydrogen 3.135 N/A CYS 222.A N SER 219.A O no hydrogen 3.048 N/A CYS 222.A SG LYS 218.A O no hydrogen 3.443 N/A LEU 223.A N LEU 220.A O no hydrogen 3.060 N/A ARG 224.A N VAL 204.A O no hydrogen 2.962 N/A ARG 226.A N GLY 252.A O no hydrogen 2.858 N/A GLY 227.A N ARG 224.A O no hydrogen 2.892 N/A MET 228.A N ASP 205.A O no hydrogen 3.070 N/A CYS 229.A N PHE 255.A O no hydrogen 2.870 N/A ALA 230.A N VAL 207.A O no hydrogen 2.922 N/A ALA 231.A N THR 257.A O no hydrogen 3.013 N/A TYR 232.A N ASP 209.A O no hydrogen 3.121 N/A ALA 235.A N SER 210.A O no hydrogen 3.025 N/A SER 236.A N ILE 211.A O no hydrogen 2.859 N/A SER 236.A OG ILE 211.A O no hydrogen 2.668 N/A GLY 237.A N HIS 234.A O no hydrogen 2.822 N/A ARG 243.A N ASP 247.A OD2 no hydrogen 2.862 N/A ASP 247.A N ARG 243.A O no hydrogen 2.929 N/A LEU 248.A N VAL 244.A O no hydrogen 3.165 N/A GLY 249.A N VAL 244.A O no hydrogen 3.008 N/A VAL 250.A N VAL 245.A O no hydrogen 2.736 N/A ARG 251.A NE ASP 221.A OD1 no hydrogen 2.855 N/A ARG 251.A NH1 GLN 217.A OE1 no hydrogen 2.859 N/A ARG 251.A NH1 ASP 247.A O no hydrogen 2.926 N/A ARG 251.A NH2 GLN 217.A OE1 no hydrogen 2.713 N/A ARG 251.A NH2 ASP 221.A OD1 no hydrogen 3.177 N/A GLY 252.A N GLY 249.A O no hydrogen 2.885 N/A SER 253.A N GLY 249.A O no hydrogen 3.039 N/A LEU 254.A N LEU 248.A O no hydrogen 2.875 N/A PHE 255.A N GLY 227.A O no hydrogen 2.937 N/A THR 257.A N CYS 229.A O no hydrogen 3.031 N/A HIS 263.A N ALA 260.A O no hydrogen 3.036 N/A TYR 264.A N LEU 261.A O no hydrogen 2.826 N/A MET 265.A N TRP 262.A O no hydrogen 3.236 N/A SER 266.A N GLU 270.A OE1 no hydrogen 2.880 N/A SER 266.A OG GLU 270.A OE1 no hydrogen 2.611 N/A ARG 268.A NH1 GLU 96.A O no hydrogen 3.042 N/A ARG 268.A NH1 LEU 98.A O no hydrogen 2.789 N/A ARG 268.A NH2 LEU 98.A O no hydrogen 2.977 N/A ARG 268.A NH2 ASP 272.A OD1 no hydrogen 2.853 N/A GLU 270.A N ASN 267.A OD1 no hydrogen 2.762 N/A ILE 271.A N ASN 267.A O no hydrogen 3.048 N/A ASP 272.A N ARG 268.A O no hydrogen 2.805 N/A GLU 273.A N SER 269.A O no hydrogen 3.018 N/A GLY 274.A N GLU 270.A O no hydrogen 2.893 N/A SER 275.A N ILE 271.A O no hydrogen 2.912 N/A SER 275.A OG ILE 271.A O no hydrogen 2.992 N/A SER 275.A OG ASP 272.A O no hydrogen 3.324 N/A LYS 276.A N ASP 272.A O no hydrogen 2.951 N/A LYS 276.A NZ ASP 280.A OD2 no hydrogen 2.649 N/A CYS 277.A N GLU 273.A O no hydrogen 3.019 N/A CYS 277.A SG GLN 123.A OE1 no hydrogen 3.461 N/A CYS 277.A SG HIS 127.A NE2 no hydrogen 3.304 N/A LEU 278.A N GLY 274.A O no hydrogen 3.066 N/A PHE 279.A N SER 275.A O no hydrogen 2.787 N/A ASP 280.A N LYS 276.A O no hydrogen 2.789 N/A ALA 281.A N CYS 277.A O no hydrogen 3.055 N/A VAL 282.A N LEU 278.A O no hydrogen 2.998 N/A LYS 283.A N PHE 279.A O no hydrogen 2.800 N/A LYS 283.A NZ ASP 104.A OD1 no hydrogen 3.127 N/A ALA 284.A N ASP 280.A O no hydrogen 2.990 N/A GLY 285.A N VAL 282.A O no hydrogen 3.007 N/A VAL 286.A N ALA 281.A O no hydrogen 2.951 N/A SER 289.A OG HIS 111.A O no hydrogen 2.811 N/A ALA 292.A N SER 315.A O no hydrogen 2.756 N/A LYS 293.A N SER 315.A O no hydrogen 3.490 N/A PHE 295.A N VAL 317.A O no hydrogen 3.041 N/A LEU 297.A N LEU 319.A O no hydrogen 2.836 N/A ARG 298.A NE ALA 322.A O no hydrogen 3.312 N/A ARG 298.A NE ALA 322.A OXT no hydrogen 2.901 N/A ARG 298.A NH2 ALA 322.A O no hydrogen 2.655 N/A GLU 299.A N PRO 296.A O no hydrogen 2.723 N/A ALA 300.A N LEU 297.A O no hydrogen 3.164 N/A ALA 303.A N GLU 299.A O no hydrogen 3.095 N/A HIS 304.A N ALA 300.A O no hydrogen 2.991 N/A HIS 304.A NE2 TYR 87.A OH no hydrogen 2.752 N/A LYS 305.A N ALA 301.A O no hydrogen 2.945 N/A LYS 305.A NZ ASP 13.A OD1 no hydrogen 2.538 N/A LYS 305.A NZ ASP 13.A OD2 no hydrogen 2.833 N/A TYR 306.A N ALA 302.A O no hydrogen 2.765 N/A MET 307.A N ALA 303.A O no hydrogen 2.970 N/A GLY 308.A N HIS 304.A O no hydrogen 3.357 N/A GLY 308.A N LYS 305.A O no hydrogen 3.280 N/A GLY 309.A N TYR 306.A O no hydrogen 3.159 N/A ARG 310.A NH1 THR 312.A OG1 no hydrogen 3.093 N/A ARG 310.A NH1 GLY 314.A O no hydrogen 2.862 N/A ARG 310.A NH2 GLY 314.A O no hydrogen 2.797 N/A THR 312.A OG1 TYR 306.A OH no hydrogen 3.361 N/A SER 315.A N SER 290.A O no hydrogen 2.685 N/A SER 315.A OG GLY 114.A O no hydrogen 2.758 N/A VAL 317.A N LYS 293.A O no hydrogen 3.069 N/A LEU 318.A N ILE 37.A O no hydrogen 2.676 N/A LEU 319.A N PHE 295.A O no hydrogen 2.761 N/A ALA 322.A N LEU 319.A O no hydrogen 3.447 N/A