Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wy2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 LYS 2.A O no hydrogen 3.122 N/A GLN 4.A NE2 ASN 30.A O no hydrogen 2.829 N/A ASN 5.A N ASP 109.A OD2 no hydrogen 2.952 N/A ASN 5.A ND2 ASP 106.A O no hydrogen 2.884 N/A ASN 5.A ND2 LYS 107.A O no hydrogen 3.507 N/A LEU 6.A N ARG 33.A O no hydrogen 3.002 N/A LEU 7.A N LEU 110.A O no hydrogen 3.037 N/A VAL 8.A N LYS 35.A O no hydrogen 2.818 N/A VAL 9.A N ILE 112.A O no hydrogen 2.963 N/A ILE 10.A N PHE 37.A O no hydrogen 3.076 N/A ASP 11.A N GLN 17.A OE1 no hydrogen 2.858 N/A ASN 13.A N ASP 11.A OD1 no hydrogen 2.922 N/A GLN 14.A NE2 ASP 16.A O no hydrogen 2.884 N/A GLN 17.A NE2 ASP 11.A O no hydrogen 2.887 N/A GLN 17.A NE2 ASP 15.A O no hydrogen 3.122 N/A ARG 21.A N GLN 17.A O no hydrogen 3.036 N/A ARG 21.A NH1 ASP 16.A OD1 no hydrogen 2.839 N/A ARG 21.A NH2 ASP 16.A OD1 no hydrogen 3.424 N/A ARG 21.A NH2 ASP 16.A OD2 no hydrogen 3.021 N/A ARG 22.A N PRO 18.A O no hydrogen 3.076 N/A ARG 22.A NH2 ASP 293.A OD2 no hydrogen 2.647 N/A ALA 23.A N ALA 19.A O no hydrogen 3.117 N/A VAL 24.A N LEU 20.A O no hydrogen 2.938 N/A TYR 25.A N ARG 21.A O no hydrogen 2.919 N/A ILE 26.A N ARG 22.A O no hydrogen 3.053 N/A VAL 27.A N ALA 23.A O no hydrogen 2.952 N/A GLN 28.A N VAL 24.A O no hydrogen 2.920 N/A ARG 29.A N ILE 26.A O no hydrogen 2.956 N/A ARG 29.A NH1 TYR 25.A O no hydrogen 2.998 N/A ARG 29.A NH1 GLN 28.A OE1 no hydrogen 2.986 N/A ASN 30.A N ILE 26.A O no hydrogen 2.865 N/A ASN 30.A ND2 LYS 2.A O no hydrogen 2.910 N/A GLY 31.A N VAL 27.A O no hydrogen 2.756 N/A ARG 33.A N GLN 4.A O no hydrogen 2.864 N/A ILE 34.A N GLN 84.A O no hydrogen 2.929 N/A LYS 35.A N LEU 6.A O no hydrogen 2.863 N/A LYS 35.A NZ GLU 102.A OE2 no hydrogen 2.675 N/A LYS 35.A NZ ASP 106.A OD2 no hydrogen 2.569 N/A LYS 35.A NZ HIS 108.A NE2 no hydrogen 3.070 N/A ALA 36.A N ASP 86.A O no hydrogen 2.903 N/A PHE 37.A N VAL 8.A O no hydrogen 2.896 N/A LEU 38.A N LYS 88.A O no hydrogen 3.030 N/A VAL 40.A N ILE 90.A O no hydrogen 2.865 N/A TYR 41.A OH ASP 46.A OD1 no hydrogen 2.568 N/A SER 44.A N ASP 42.A OD1 no hydrogen 3.007 N/A SER 44.A OG ASP 42.A OD1 no hydrogen 2.634 N/A TYR 45.A N ASP 42.A O no hydrogen 3.018 N/A ASP 46.A N LEU 43.A O no hydrogen 2.886 N/A MET 47.A N SER 44.A O no hydrogen 3.057 N/A LEU 51.A N MET 47.A O no hydrogen 2.979 N/A SER 52.A N GLU 55.A OE1 no hydrogen 2.929 N/A GLU 55.A N SER 52.A OG no hydrogen 3.056 N/A ARG 56.A N SER 52.A O no hydrogen 2.949 N/A ARG 56.A NE LEU 51.A O no hydrogen 3.538 N/A ARG 56.A NH1 TYR 45.A O no hydrogen 3.061 N/A ASN 57.A N PRO 53.A O no hydrogen 2.818 N/A ALA 58.A N ASP 54.A O no hydrogen 2.944 N/A MET 59.A N GLU 55.A O no hydrogen 3.135 N/A ARG 60.A N ARG 56.A O no hydrogen 2.931 N/A LYS 61.A N ASN 57.A O no hydrogen 2.940 N/A GLY 62.A N ALA 58.A O no hydrogen 2.984 N/A VAL 63.A N MET 59.A O no hydrogen 3.060 N/A ILE 64.A N ARG 60.A O no hydrogen 3.010 N/A ASN 65.A N LYS 61.A O no hydrogen 2.835 N/A GLN 66.A N GLY 62.A O no hydrogen 3.020 N/A LYS 67.A N VAL 63.A O no hydrogen 2.894 N/A THR 68.A N ILE 64.A O no hydrogen 2.884 N/A THR 68.A OG1 ILE 64.A O no hydrogen 2.658 N/A ALA 69.A N ASN 65.A O no hydrogen 3.141 N/A TRP 70.A N GLN 66.A O no hydrogen 2.996 N/A TRP 70.A NE1 ASP 15.A OD1 no hydrogen 2.834 N/A ILE 71.A N LYS 67.A O no hydrogen 2.963 N/A LYS 72.A N THR 68.A O no hydrogen 3.047 N/A GLN 73.A N ALA 69.A O no hydrogen 2.983 N/A GLN 74.A N TRP 70.A O no hydrogen 3.180 N/A ALA 75.A N ILE 71.A O no hydrogen 2.939 N/A ARG 76.A N GLN 73.A O no hydrogen 3.447 N/A ARG 76.A NE GLN 73.A O no hydrogen 3.229 N/A LEU 79.A N ALA 75.A O no hydrogen 2.943 N/A GLU 80.A N ARG 76.A O no hydrogen 3.074 N/A ALA 81.A N TYR 77.A O no hydrogen 3.123 N/A GLY 82.A N LEU 79.A O no hydrogen 3.017 N/A ILE 83.A N TYR 78.A O no hydrogen 3.167 N/A GLN 84.A NE2 ASP 86.A OD2 no hydrogen 3.235 N/A ASP 86.A N ILE 34.A O no hydrogen 2.804 N/A LYS 88.A N ALA 36.A O no hydrogen 2.834 N/A LYS 88.A NZ GLU 102.A OE1 no hydrogen 3.460 N/A LYS 88.A NZ GLU 102.A OE2 no hydrogen 2.676 N/A ILE 90.A N LEU 38.A O no hydrogen 3.099 N/A HIS 92.A N VAL 40.A O no hydrogen 2.863 N/A ARG 94.A N HIS 92.A ND1 no hydrogen 3.115 N/A ARG 94.A NH1 GLU 97.A OE1 no hydrogen 3.209 N/A ALA 98.A N ARG 94.A O no hydrogen 3.110 N/A ILE 99.A N PRO 95.A O no hydrogen 2.908 N/A ILE 100.A N TYR 96.A O no hydrogen 3.080 N/A GLU 101.A N GLU 97.A O no hydrogen 2.951 N/A GLU 102.A N ALA 98.A O no hydrogen 3.129 N/A VAL 103.A N ILE 99.A O no hydrogen 3.017 N/A ILE 104.A N ILE 100.A O no hydrogen 2.953 N/A THR 105.A N GLU 101.A O no hydrogen 2.901 N/A THR 105.A OG1 GLU 101.A O no hydrogen 2.959 N/A ASP 106.A N GLU 102.A O no hydrogen 3.030 N/A HIS 108.A N VAL 103.A O no hydrogen 3.291 N/A HIS 108.A ND1 ASN 5.A O no hydrogen 3.210 N/A ASP 109.A N ASN 5.A O no hydrogen 3.018 N/A LEU 111.A N PRO 140.A O no hydrogen 2.995 N/A ILE 112.A N LEU 7.A O no hydrogen 2.798 N/A LYS 113.A N TRP 142.A O no hydrogen 2.976 N/A LYS 113.A NZ ASP 130.A OD1 no hydrogen 2.701 N/A ALA 115.A N VAL 144.A O no hydrogen 2.854 N/A HIS 116.A ND1 ASP 146.A OD2 no hydrogen 2.799 N/A GLN 117.A N ASP 146.A OD1 no hydrogen 2.929 N/A GLN 117.A NE2 GLY 122.A O no hydrogen 2.617 N/A GLY 122.A N ASP 119.A O no hydrogen 3.339 N/A LEU 124.A N ILE 290.A O no hydrogen 2.928 N/A ILE 125.A N HIS 116.A O no hydrogen 2.776 N/A THR 127.A N ASP 130.A OD2 no hydrogen 2.960 N/A ASP 130.A N THR 127.A OG1 no hydrogen 3.120 N/A TRP 131.A N THR 127.A O no hydrogen 3.125 N/A GLN 132.A N PRO 128.A O no hydrogen 2.969 N/A LEU 133.A N LEU 129.A O no hydrogen 3.001 N/A LEU 134.A N ASP 130.A O no hydrogen 2.957 N/A ARG 135.A N TRP 131.A O no hydrogen 2.952 N/A LYS 136.A N GLN 132.A O no hydrogen 2.899 N/A LYS 136.A NZ GLN 132.A OE1 no hydrogen 2.839 N/A CYS 137.A N LEU 133.A O no hydrogen 2.852 N/A CYS 137.A SG ALA 139.A O no hydrogen 3.551 N/A VAL 141.A N ALA 296.A O no hydrogen 2.954 N/A TRP 142.A N LEU 111.A O no hydrogen 2.786 N/A TRP 142.A NE1 ASP 293.A OD2 no hydrogen 3.016 N/A MET 143.A N LEU 294.A O no hydrogen 2.740 N/A VAL 144.A N LYS 113.A O no hydrogen 2.819 N/A LYS 145.A N ASP 293.A OD1 no hydrogen 2.867 N/A LYS 145.A NZ GLN 117.A OE1 no hydrogen 3.288 N/A LYS 145.A NZ LYS 291.A O no hydrogen 2.729 N/A ASP 146.A N ALA 115.A O no hydrogen 3.130 N/A LYS 147.A NZ GLN 117.A O no hydrogen 3.131 N/A LYS 147.A NZ ASP 146.A O no hydrogen 3.271 N/A LYS 147.A NZ ASP 146.A OD1 no hydrogen 3.418 N/A GLY 153.A N PRO 150.A O no hydrogen 2.972 N/A THR 154.A N ASN 262.A O no hydrogen 2.940 N/A THR 154.A OG1 LEU 261.A O no hydrogen 2.778 N/A ILE 155.A N ASP 191.A O no hydrogen 2.916 N/A VAL 156.A N ILE 265.A O no hydrogen 3.023 N/A VAL 157.A N HIS 193.A O no hydrogen 2.863 N/A ALA 158.A N VAL 267.A O no hydrogen 2.850 N/A ALA 159.A N LEU 195.A O no hydrogen 2.903 N/A ASN 160.A N ASN 172.A OD1 no hydrogen 3.010 N/A ASN 160.A ND2 ASN 163.A OD1 no hydrogen 2.929 N/A SER 162.A N ASN 160.A OD1 no hydrogen 2.988 N/A SER 162.A OG HIS 225.A NE2 no hydrogen 2.812 N/A ASN 163.A N ASN 160.A OD1 no hydrogen 3.054 N/A HIS 168.A N GLU 165.A O no hydrogen 3.221 N/A ALA 170.A N SER 166.A O no hydrogen 3.486 N/A LEU 171.A N TYR 167.A O no hydrogen 3.083 N/A ASN 172.A N HIS 168.A O no hydrogen 2.802 N/A ASN 172.A ND2 ASN 160.A O no hydrogen 2.814 N/A LEU 173.A N ASP 169.A O no hydrogen 3.029 N/A LYS 174.A N ALA 170.A O no hydrogen 3.004 N/A LYS 174.A NZ LYS 298.A O no hydrogen 2.741 N/A LYS 174.A NZ ASP 300.A OD1 no hydrogen 2.844 N/A LEU 175.A N LEU 171.A O no hydrogen 2.921 N/A ILE 176.A N ASN 172.A O no hydrogen 3.222 N/A GLU 177.A N LEU 173.A O no hydrogen 2.962 N/A LEU 178.A N LYS 174.A O no hydrogen 3.086 N/A THR 179.A N LEU 175.A O no hydrogen 2.909 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.699 N/A ASN 180.A N ILE 176.A O no hydrogen 2.809 N/A ASN 180.A ND2 PHE 236.A O no hydrogen 3.253 N/A ASP 181.A N GLU 177.A O no hydrogen 3.055 N/A LEU 182.A N LEU 178.A O no hydrogen 2.863 N/A SER 183.A N THR 179.A O no hydrogen 2.969 N/A SER 183.A OG THR 179.A O no hydrogen 2.707 N/A SER 183.A OG ASN 180.A O no hydrogen 3.416 N/A HIS 184.A N ASN 180.A O no hydrogen 3.297 N/A HIS 184.A ND1 ASN 180.A O no hydrogen 2.786 N/A ARG 185.A N ASP 181.A O no hydrogen 3.206 N/A ARG 185.A N LEU 182.A O no hydrogen 3.105 N/A ARG 185.A NE ASP 181.A OD1 no hydrogen 2.832 N/A ARG 185.A NH1 ASN 30.A OD1 no hydrogen 2.786 N/A ILE 186.A N LEU 182.A O no hydrogen 3.243 N/A ILE 186.A N SER 183.A O no hydrogen 3.281 N/A GLN 187.A N SER 183.A O no hydrogen 2.793 N/A HIS 193.A N ILE 155.A O no hydrogen 2.829 N/A HIS 193.A ND1 HIS 244.A NE2 no hydrogen 2.999 N/A LEU 194.A N LYS 242.A O no hydrogen 2.901 N/A LEU 195.A N VAL 157.A O no hydrogen 2.852 N/A SER 196.A N HIS 244.A O no hydrogen 2.892 N/A SER 196.A OG HIS 225.A ND1 no hydrogen 2.799 N/A TYR 198.A N LYS 246.A O no hydrogen 2.971 N/A ALA 201.A N ASN 218.A OD1 no hydrogen 2.800 N/A LEU 209.A N ALA 206.A O no hydrogen 3.123 N/A PHE 212.A N LEU 209.A O no hydrogen 2.966 N/A ASN 215.A N ASP 213.A OD1 no hydrogen 2.897 N/A ASN 215.A ND2 ASP 213.A OD1 no hydrogen 2.778 N/A LEU 216.A N ASP 213.A O no hydrogen 2.911 N/A ASN 218.A N PRO 214.A O no hydrogen 3.158 N/A ASN 219.A N ASN 215.A O no hydrogen 3.076 N/A ALA 220.A N LEU 216.A O no hydrogen 2.975 N/A LEU 221.A N TYR 217.A O no hydrogen 2.906 N/A ARG 222.A N ASN 218.A O no hydrogen 3.039 N/A ARG 222.A NH1 TYR 198.A OH no hydrogen 3.097 N/A ARG 222.A NH1 VAL 245.A O no hydrogen 3.351 N/A ARG 222.A NH2 VAL 245.A O no hydrogen 3.493 N/A GLY 223.A N ASN 219.A O no hydrogen 2.909 N/A GLN 224.A N ALA 220.A O no hydrogen 2.864 N/A GLN 224.A NE2 LEU 161.A O no hydrogen 2.980 N/A GLN 224.A NE2 SER 162.A O no hydrogen 2.869 N/A HIS 225.A N LEU 221.A O no hydrogen 2.994 N/A HIS 225.A ND1 SER 196.A OG no hydrogen 2.799 N/A HIS 225.A NE2 SER 162.A OG no hydrogen 2.812 N/A LEU 226.A N ARG 222.A O no hydrogen 2.952 N/A ILE 227.A N GLY 223.A O no hydrogen 3.092 N/A ALA 228.A N GLN 224.A O no hydrogen 3.115 N/A MET 229.A N HIS 225.A O no hydrogen 2.755 N/A LYS 230.A N LEU 226.A O no hydrogen 3.050 N/A GLU 231.A N ILE 227.A O no hydrogen 3.147 N/A LEU 232.A N ALA 228.A O no hydrogen 2.973 N/A ARG 233.A N MET 229.A O no hydrogen 2.943 N/A GLN 234.A N LYS 230.A O no hydrogen 3.027 N/A LYS 235.A N GLU 231.A O no hydrogen 3.011 N/A LYS 235.A NZ GLU 231.A OE2 no hydrogen 3.275 N/A PHE 236.A N LEU 232.A O no hydrogen 2.978 N/A ILE 238.A N ARG 233.A O no hydrogen 2.924 N/A GLU 241.A N GLU 241.A OE2 no hydrogen 2.754 N/A LYS 242.A N PRO 239.A O no hydrogen 2.822 N/A LYS 242.A NZ ASP 191.A OD1 no hydrogen 2.761 N/A THR 243.A N GLU 240.A O no hydrogen 3.046 N/A THR 243.A OG1 GLU 240.A O no hydrogen 2.831 N/A HIS 244.A N LEU 194.A O no hydrogen 2.906 N/A HIS 244.A NE2 HIS 193.A ND1 no hydrogen 2.999 N/A LYS 246.A N SER 196.A O no hydrogen 2.926 N/A GLY 248.A N TYR 198.A O no hydrogen 2.740 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.779 N/A GLN 252.A N LEU 249.A O no hydrogen 2.944 N/A VAL 253.A N LEU 249.A O no hydrogen 2.798 N/A ILE 254.A N PRO 250.A O no hydrogen 2.959 N/A GLN 256.A N GLN 252.A O no hydrogen 3.295 N/A GLN 256.A NE2 GLU 260.A OE2 no hydrogen 3.161 N/A VAL 257.A N VAL 253.A O no hydrogen 2.887 N/A CYS 258.A N ILE 254.A O no hydrogen 2.945 N/A CYS 258.A SG ILE 254.A O no hydrogen 3.280 N/A GLU 259.A N PRO 255.A O no hydrogen 3.124 N/A GLU 260.A N GLN 256.A O no hydrogen 2.978 N/A LEU 261.A N VAL 257.A O no hydrogen 2.848 N/A ASN 262.A N GLU 259.A O no hydrogen 3.173 N/A ASN 262.A ND2 GLU 151.A O no hydrogen 3.276 N/A ASN 262.A ND2 TYR 152.A O no hydrogen 3.659 N/A ALA 263.A N CYS 258.A O no hydrogen 2.949 N/A GLY 264.A N THR 154.A O no hydrogen 2.775 N/A VAL 266.A N ASP 293.A O no hydrogen 2.917 N/A VAL 267.A N VAL 156.A O no hydrogen 2.751 N/A LEU 268.A N LEU 295.A O no hydrogen 2.965 N/A ILE 270.A N ILE 297.A O no hydrogen 2.931 N/A LEU 279.A N ALA 276.A O no hydrogen 3.229 N/A ASN 281.A N ALA 277.A O no hydrogen 3.315 N/A THR 282.A N PHE 278.A O no hydrogen 2.968 N/A THR 282.A OG1 PHE 278.A O no hydrogen 3.158 N/A ALA 283.A N LEU 279.A O no hydrogen 2.865 N/A GLU 284.A N GLY 280.A O no hydrogen 2.967 N/A GLN 285.A N ASN 281.A O no hydrogen 3.194 N/A GLN 285.A NE2 ASN 281.A O no hydrogen 3.516 N/A GLN 285.A NE2 ASN 281.A OD1 no hydrogen 3.398 N/A LEU 286.A N THR 282.A O no hydrogen 2.897 N/A ILE 287.A N ALA 283.A O no hydrogen 2.910 N/A ASP 288.A N GLU 284.A O no hydrogen 2.956 N/A HIS 289.A N LEU 286.A O no hydrogen 3.005 N/A HIS 289.A ND1 GLN 285.A O no hydrogen 2.698 N/A ILE 290.A N ILE 287.A O no hydrogen 3.171 N/A LYS 291.A NZ HIS 289.A O no hydrogen 3.174 N/A CYS 292.A SG ASP 293.A O no hydrogen 3.540 N/A ASP 293.A N GLY 264.A O no hydrogen 3.202 N/A LEU 294.A N MET 143.A O no hydrogen 3.074 N/A LEU 295.A N VAL 266.A O no hydrogen 2.885 N/A ALA 296.A N VAL 141.A O no hydrogen 2.842 N/A ILE 297.A N LEU 268.A O no hydrogen 2.962 N/A LYS 298.A NZ LEU 134.A O no hydrogen 2.780 N/A LYS 298.A NZ CYS 137.A O no hydrogen 2.644 N/A PHE 302.A N PRO 299.A O no hydrogen 2.979 N/A CYS 304.A SG LYS 136.A O no hydrogen 3.288 N/A CYS 304.A SG ILE 306.A O no hydrogen 3.320 N/A