Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wdy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N ALA 1.A O no hydrogen 3.164 N/A ASN 6.A N ALA 2.A O no hydrogen 3.183 N/A HIS 7.A N VAL 3.A O no hydrogen 3.068 N/A LEU 8.A N GLU 4.A O no hydrogen 2.878 N/A LEU 9.A N ASP 5.A O no hydrogen 2.852 N/A ILE 10.A N ASN 6.A O no hydrogen 3.238 N/A LYS 11.A N HIS 7.A O no hydrogen 3.071 N/A LYS 11.A NZ GLN 14.A OE1 no hydrogen 3.083 N/A ALA 12.A N LEU 8.A O no hydrogen 2.877 N/A VAL 13.A N LEU 9.A O no hydrogen 3.064 N/A GLN 14.A N ILE 10.A O no hydrogen 3.040 N/A GLN 14.A NE2 ASN 45.A OD1 no hydrogen 2.803 N/A ASN 15.A N LYS 11.A O no hydrogen 2.811 N/A GLU 16.A N VAL 13.A O no hydrogen 2.941 N/A ASP 17.A N ALA 12.A O no hydrogen 2.955 N/A LEU 20.A N ASP 17.A OD1 no hydrogen 3.358 N/A VAL 21.A N ASP 17.A O no hydrogen 2.935 N/A GLN 22.A N VAL 18.A O no hydrogen 2.928 N/A GLN 23.A N ASP 19.A O no hydrogen 2.970 N/A LEU 24.A N LEU 20.A O no hydrogen 2.945 N/A LEU 25.A N VAL 21.A O no hydrogen 3.010 N/A GLU 26.A N GLN 22.A O no hydrogen 2.929 N/A GLY 27.A N GLN 23.A O no hydrogen 2.897 N/A GLY 28.A N LEU 25.A O no hydrogen 3.071 N/A ALA 29.A N LEU 24.A O no hydrogen 2.984 N/A ASN 30.A N ASN 6.A OD1 no hydrogen 2.974 N/A ASN 32.A N ASN 30.A OD1 no hydrogen 3.013 N/A ASN 32.A ND2 GLY 62.A O no hydrogen 3.534 N/A PHE 33.A N ASN 30.A O no hydrogen 3.124 N/A GLN 34.A NE2 GLY 39.A O no hydrogen 2.877 N/A GLN 34.A NE2 ARG 68.A O no hydrogen 3.039 N/A GLU 35.A N TRP 40.A O no hydrogen 3.035 N/A GLU 37.A N GLU 35.A OE2 no hydrogen 3.146 N/A GLY 38.A N GLU 35.A OE1 no hydrogen 2.915 N/A GLY 38.A N GLU 35.A OE2 no hydrogen 3.433 N/A GLY 39.A N GLU 35.A O no hydrogen 2.925 N/A TRP 40.A N GLU 35.A OE1 no hydrogen 2.971 N/A THR 41.A N HIS 44.A ND1 no hydrogen 2.998 N/A THR 41.A OG1 HIS 44.A ND1 no hydrogen 2.854 N/A HIS 44.A N THR 41.A OG1 no hydrogen 3.013 N/A ASN 45.A N THR 41.A O no hydrogen 3.178 N/A ASN 45.A ND2 THR 41.A O no hydrogen 2.973 N/A ALA 46.A N PRO 42.A O no hydrogen 2.970 N/A VAL 47.A N LEU 43.A O no hydrogen 2.971 N/A GLN 48.A N HIS 44.A O no hydrogen 2.964 N/A MET 49.A N ASN 45.A O no hydrogen 3.181 N/A SER 50.A N VAL 47.A O no hydrogen 2.862 N/A ARG 51.A N ALA 46.A O no hydrogen 3.084 N/A ARG 51.A NE ASP 53.A OD1 no hydrogen 2.923 N/A ARG 51.A NH1 GLU 16.A OE2 no hydrogen 2.916 N/A ARG 51.A NH2 ASP 53.A OD2 no hydrogen 2.981 N/A VAL 55.A N ARG 51.A O no hydrogen 2.914 N/A GLU 56.A N GLU 52.A O no hydrogen 2.974 N/A LEU 57.A N ASP 53.A O no hydrogen 3.042 N/A LEU 58.A N ILE 54.A O no hydrogen 2.968 N/A LEU 59.A N VAL 55.A O no hydrogen 2.973 N/A ARG 60.A N GLU 56.A O no hydrogen 2.990 N/A ARG 60.A NE GLU 56.A OE2 no hydrogen 2.876 N/A ARG 60.A NH2 GLU 56.A OE2 no hydrogen 3.404 N/A HIS 61.A N LEU 57.A O no hydrogen 3.170 N/A GLY 62.A N LEU 59.A O no hydrogen 2.992 N/A ALA 63.A N LEU 58.A O no hydrogen 3.043 N/A ASP 64.A N ASN 32.A OD1 no hydrogen 2.877 N/A VAL 66.A N ASP 64.A OD1 no hydrogen 3.135 N/A LEU 67.A N ASP 64.A O no hydrogen 3.438 N/A ARG 68.A NH1 GLY 72.A O no hydrogen 2.818 N/A ARG 68.A NH1 CYS 101.A O no hydrogen 2.863 N/A LYS 69.A N ALA 73.A O no hydrogen 3.133 N/A LYS 69.A NZ ASN 71.A OD1 no hydrogen 2.787 N/A LYS 70.A N GLY 38.A O no hydrogen 2.988 N/A LYS 70.A NZ GLU 36.A O no hydrogen 3.453 N/A GLY 72.A N LYS 69.A O no hydrogen 2.867 N/A ALA 73.A N ASN 71.A OD1 no hydrogen 3.074 N/A THR 74.A OG1 GLU 100.A OE2 no hydrogen 2.670 N/A LEU 77.A N THR 74.A OG1 no hydrogen 3.305 N/A LEU 78.A N THR 74.A O no hydrogen 3.200 N/A ALA 79.A N PRO 75.A O no hydrogen 2.946 N/A ALA 80.A N PHE 76.A O no hydrogen 3.257 N/A ILE 81.A N LEU 77.A O no hydrogen 3.217 N/A ALA 82.A N LEU 78.A O no hydrogen 2.958 N/A GLY 83.A N ALA 80.A O no hydrogen 3.040 N/A SER 84.A N ALA 79.A O no hydrogen 2.944 N/A LEU 87.A N SER 84.A OG no hydrogen 3.079 N/A LEU 88.A N SER 84.A O no hydrogen 2.950 N/A LYS 89.A N VAL 85.A O no hydrogen 2.880 N/A LEU 90.A N LYS 86.A O no hydrogen 3.027 N/A PHE 91.A N LEU 87.A O no hydrogen 3.004 N/A LEU 92.A N LEU 88.A O no hydrogen 3.062 N/A SER 93.A N LYS 89.A O no hydrogen 3.187 N/A SER 93.A N LEU 90.A O no hydrogen 3.060 N/A SER 93.A OG LEU 90.A O no hydrogen 2.679 N/A LYS 94.A N PHE 91.A O no hydrogen 3.049 N/A ALA 96.A N PHE 91.A O no hydrogen 3.030 N/A ASP 97.A N GLU 100.A OE1 no hydrogen 3.090 N/A ASN 99.A N ASP 97.A OD2 no hydrogen 2.984 N/A ASN 99.A ND2 GLY 128.A O no hydrogen 3.611 N/A GLU 100.A N ASP 97.A O no hydrogen 3.017 N/A CYS 101.A SG ASP 102.A O no hydrogen 3.544 N/A ASP 102.A N PHE 106.A O no hydrogen 3.024 N/A PHE 103.A N ASN 71.A O no hydrogen 2.915 N/A TYR 104.A N ASP 102.A OD1 no hydrogen 2.938 N/A GLY 105.A N ASP 102.A O no hydrogen 3.049 N/A PHE 106.A N ASP 102.A OD1 no hydrogen 3.009 N/A MET 110.A N THR 107.A OG1 no hydrogen 3.125 N/A GLU 111.A N THR 107.A O no hydrogen 2.958 N/A ALA 112.A N ALA 108.A O no hydrogen 2.895 N/A ALA 113.A N PHE 109.A O no hydrogen 3.054 N/A VAL 114.A N MET 110.A O no hydrogen 2.815 N/A TYR 115.A N GLU 111.A O no hydrogen 2.996 N/A GLY 116.A N ALA 113.A O no hydrogen 3.254 N/A LYS 117.A N ALA 112.A O no hydrogen 2.814 N/A LEU 121.A N LYS 117.A O no hydrogen 2.879 N/A LYS 122.A N VAL 118.A O no hydrogen 2.966 N/A PHE 123.A N LYS 119.A O no hydrogen 2.988 N/A LEU 124.A N ALA 120.A O no hydrogen 2.893 N/A TYR 125.A N LEU 121.A O no hydrogen 2.983 N/A LYS 126.A N LYS 122.A O no hydrogen 3.083 N/A ARG 127.A N PHE 123.A O no hydrogen 3.031 N/A ARG 127.A N LEU 124.A O no hydrogen 3.081 N/A GLY 128.A N TYR 125.A O no hydrogen 3.074 N/A ALA 129.A N LEU 124.A O no hydrogen 3.022 N/A ASN 130.A N ASN 99.A OD1 no hydrogen 2.868 N/A ASN 132.A N ASN 130.A OD1 no hydrogen 3.021 N/A ASN 132.A ND2 GLY 172.A O no hydrogen 3.249 N/A ARG 134.A NE CYS 178.A O no hydrogen 3.004 N/A ARG 134.A NH2 CYS 178.A O no hydrogen 2.932 N/A ARG 134.A NH2 ASN 180.A OD1 no hydrogen 3.073 N/A ARG 135.A N ALA 149.A O no hydrogen 2.906 N/A ARG 135.A NH1 ASP 154.A OD1 no hydrogen 3.437 N/A ARG 135.A NH1 ASP 154.A OD2 no hydrogen 2.891 N/A ARG 135.A NH2 ASP 154.A OD1 no hydrogen 2.975 N/A LYS 138.A N THR 137.A OG1 no hydrogen 2.781 N/A LYS 138.A NZ TYR 104.A OH no hydrogen 3.177 N/A GLN 141.A NE2 ASP 140.A OD1 no hydrogen 3.071 N/A GLU 142.A N LYS 138.A O no hydrogen 2.952 N/A ARG 143.A N GLU 139.A O no hydrogen 3.075 N/A LEU 144.A N GLN 141.A O no hydrogen 3.002 N/A ARG 145.A N GLU 142.A O no hydrogen 3.048 N/A LYS 146.A N GLN 141.A O no hydrogen 3.117 N/A GLY 148.A N ARG 135.A O no hydrogen 2.829 N/A MET 153.A N THR 150.A OG1 no hydrogen 3.399 N/A ASP 154.A N THR 150.A O no hydrogen 3.125 N/A ALA 155.A N ALA 151.A O no hydrogen 2.931 N/A ALA 156.A N LEU 152.A O no hydrogen 2.987 N/A GLU 157.A N MET 153.A O no hydrogen 2.909 N/A LYS 158.A N ASP 154.A O no hydrogen 2.968 N/A GLY 159.A N ALA 156.A O no hydrogen 3.364 N/A HIS 160.A N ALA 155.A O no hydrogen 2.997 N/A HIS 160.A NE2 VAL 114.A O no hydrogen 2.996 N/A LEU 164.A N HIS 160.A O no hydrogen 3.009 N/A LYS 165.A N VAL 161.A O no hydrogen 2.943 N/A ILE 166.A N GLU 162.A O no hydrogen 2.949 N/A LEU 167.A N VAL 163.A O no hydrogen 2.856 N/A LEU 168.A N LEU 164.A O no hydrogen 3.001 N/A ASP 169.A N LYS 165.A O no hydrogen 2.875 N/A GLU 170.A N ILE 166.A O no hydrogen 2.944 N/A MET 171.A N ILE 166.A O no hydrogen 3.169 N/A ALA 173.A N LEU 167.A O no hydrogen 3.021 N/A ASP 174.A N ASN 132.A OD1 no hydrogen 2.881 N/A ASN 176.A N ASP 174.A OD1 no hydrogen 3.162 N/A ASN 176.A ND2 GLY 209.A O no hydrogen 2.936 N/A CYS 178.A SG ASN 176.A O no hydrogen 3.742 N/A CYS 178.A SG GLY 182.A O no hydrogen 3.767 N/A ASP 179.A N ARG 183.A O no hydrogen 2.849 N/A ASN 180.A N GLY 147.A O no hydrogen 2.974 N/A ASN 180.A ND2 LYS 146.A O no hydrogen 2.745 N/A MET 181.A N ASP 179.A OD1 no hydrogen 3.022 N/A GLY 182.A N ASP 179.A O no hydrogen 3.035 N/A ARG 183.A N ASP 179.A OD1 no hydrogen 2.932 N/A ARG 183.A NE ASP 179.A OD2 no hydrogen 2.865 N/A ARG 183.A NH2 ASP 179.A OD2 no hydrogen 3.204 N/A ASN 184.A ND2 ASP 211.A O no hydrogen 3.160 N/A ILE 187.A N ASN 184.A OD1 no hydrogen 3.116 N/A HIS 188.A N ASN 184.A O no hydrogen 3.120 N/A HIS 188.A NE2 ASP 179.A OD2 no hydrogen 2.981 N/A ALA 189.A N ALA 185.A O no hydrogen 2.880 N/A LEU 190.A N LEU 186.A O no hydrogen 3.209 N/A LEU 191.A N ILE 187.A O no hydrogen 3.001 N/A LEU 191.A N HIS 188.A O no hydrogen 3.324 N/A SER 192.A N ALA 189.A O no hydrogen 3.387 N/A SER 192.A OG ALA 189.A O no hydrogen 2.864 N/A ILE 201.A N ASP 197.A O no hydrogen 3.107 N/A THR 202.A N VAL 198.A O no hydrogen 2.995 N/A THR 202.A OG1 VAL 198.A O no hydrogen 2.952 N/A HIS 203.A N GLU 199.A O no hydrogen 3.089 N/A LEU 204.A N ALA 200.A O no hydrogen 3.046 N/A LEU 205.A N ILE 201.A O no hydrogen 2.977 N/A LEU 206.A N THR 202.A O no hydrogen 2.962 N/A ASP 207.A N HIS 203.A O no hydrogen 2.974 N/A HIS 208.A N LEU 204.A O no hydrogen 3.242 N/A HIS 208.A N LEU 205.A O no hydrogen 3.041 N/A GLY 209.A N LEU 206.A O no hydrogen 3.059 N/A ALA 210.A N LEU 205.A O no hydrogen 3.096 N/A ASP 211.A N ASN 176.A OD1 no hydrogen 2.804 N/A ASN 213.A N ASP 211.A OD1 no hydrogen 3.201 N/A ASN 213.A ND2 HIS 243.A O no hydrogen 2.544 N/A ARG 215.A NH1 GLY 219.A O no hydrogen 2.949 N/A ARG 215.A NH1 THR 249.A O no hydrogen 2.954 N/A GLY 216.A N LYS 220.A O no hydrogen 2.798 N/A LYS 220.A NZ GLU 228.A OE2 no hydrogen 2.504 N/A LYS 220.A NZ ASP 250.A OD2 no hydrogen 2.893 N/A ILE 224.A N THR 221.A OG1 no hydrogen 3.142 N/A LEU 225.A N THR 221.A O no hydrogen 2.916 N/A ALA 226.A N PRO 222.A O no hydrogen 2.921 N/A VAL 227.A N LEU 223.A O no hydrogen 3.033 N/A GLU 228.A N ILE 224.A O no hydrogen 2.938 N/A LYS 229.A N LEU 225.A O no hydrogen 3.080 N/A LYS 229.A NZ SER 192.A O no hydrogen 3.297 N/A LYS 229.A NZ ASP 195.A OD1 no hydrogen 3.152 N/A LYS 230.A N VAL 227.A O no hydrogen 2.952 N/A HIS 231.A N ALA 226.A O no hydrogen 3.314 N/A VAL 235.A N HIS 231.A O no hydrogen 3.100 N/A GLN 236.A N LEU 232.A O no hydrogen 2.909 N/A ARG 237.A N GLY 233.A O no hydrogen 3.109 N/A ARG 237.A NH1 ASP 207.A OD1 no hydrogen 2.825 N/A ARG 237.A NH2 ASP 207.A OD1 no hydrogen 3.237 N/A LEU 238.A N LEU 234.A O no hydrogen 2.975 N/A LEU 239.A N VAL 235.A O no hydrogen 2.997 N/A GLU 240.A N GLN 236.A O no hydrogen 3.182 N/A GLU 240.A N ARG 237.A O no hydrogen 3.087 N/A GLN 241.A N LEU 238.A O no hydrogen 3.214 N/A GLU 245.A N ASN 213.A OD1 no hydrogen 3.182 N/A ASP 250.A N LYS 254.A O no hydrogen 2.973 N/A SER 251.A N ARG 218.A O no hydrogen 2.935 N/A SER 251.A OG ARG 218.A O no hydrogen 3.263 N/A ASP 252.A N ASP 250.A OD1 no hydrogen 2.946 N/A GLY 253.A N ASP 250.A O no hydrogen 2.973 N/A LYS 254.A N ASP 250.A OD1 no hydrogen 3.073 N/A LYS 254.A NZ GLU 262.A OE1 no hydrogen 2.703 N/A LYS 254.A NZ GLU 262.A OE2 no hydrogen 3.506 N/A LEU 258.A N THR 255.A OG1 no hydrogen 3.124 N/A LEU 259.A N THR 255.A O no hydrogen 3.061 N/A ALA 260.A N ALA 256.A O no hydrogen 2.837 N/A VAL 261.A N LEU 257.A O no hydrogen 2.916 N/A GLU 262.A N LEU 258.A O no hydrogen 3.036 N/A LEU 263.A N LEU 259.A O no hydrogen 2.949 N/A LYS 264.A N VAL 261.A O no hydrogen 3.049 N/A LEU 265.A N ALA 260.A O no hydrogen 2.943 N/A ALA 269.A N LEU 265.A O no hydrogen 2.874 N/A GLU 270.A N LYS 266.A O no hydrogen 3.089 N/A LEU 271.A N LYS 267.A O no hydrogen 3.062 N/A LEU 272.A N ILE 268.A O no hydrogen 2.963 N/A CYS 273.A N ALA 269.A O no hydrogen 2.896 N/A LYS 274.A N GLU 270.A O no hydrogen 2.958 N/A LYS 274.A NZ GLU 270.A OE2 no hydrogen 2.843 N/A ARG 275.A N LEU 271.A O no hydrogen 3.312 N/A ARG 275.A NH2 LEU 239.A O no hydrogen 3.135 N/A GLY 276.A N LEU 272.A O no hydrogen 3.253 N/A GLY 276.A N CYS 273.A O no hydrogen 3.161 N/A ASP 280.A N SER 278.A OG no hydrogen 3.242 N/A CYS 281.A SG SER 278.A O no hydrogen 3.637 N/A