Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N ASP 71.A OD2 no hydrogen 2.728 N/A LYS 2.A NZ GLU 68.A O no hydrogen 2.769 N/A VAL 3.A N GLU 29.A O no hydrogen 2.984 N/A ALA 4.A N VAL 72.A O no hydrogen 2.940 N/A VAL 5.A N SER 31.A O no hydrogen 3.018 N/A LEU 6.A N LEU 74.A O no hydrogen 2.901 N/A GLY 7.A N TYR 33.A O no hydrogen 2.784 N/A ALA 8.A N TYR 33.A O no hydrogen 3.245 N/A ALA 9.A N ASP 34.A OD2 no hydrogen 3.149 N/A GLY 10.A N GLY 7.A O no hydrogen 3.410 N/A GLN 14.A N GLY 10.A O no hydrogen 2.957 N/A GLN 14.A NE2 ALA 9.A O no hydrogen 2.949 N/A ALA 15.A N GLY 11.A O no hydrogen 3.251 N/A LEU 16.A N ILE 12.A O no hydrogen 2.827 N/A ALA 17.A N GLY 13.A O no hydrogen 2.781 N/A LEU 18.A N GLN 14.A O no hydrogen 3.043 N/A LEU 19.A N ALA 15.A O no hydrogen 3.050 N/A LEU 20.A N LEU 16.A O no hydrogen 2.865 N/A LYS 21.A N ALA 17.A O no hydrogen 2.917 N/A LYS 21.A NZ ILE 49.A O no hydrogen 2.954 N/A LYS 21.A NZ THR 51.A OG1 no hydrogen 3.125 N/A LYS 21.A NZ VAL 53.A O no hydrogen 2.864 N/A THR 22.A OG1 LEU 18.A O no hydrogen 3.270 N/A THR 22.A OG1 LEU 19.A O no hydrogen 3.388 N/A GLN 23.A N LEU 19.A O no hydrogen 2.975 N/A LEU 24.A N LEU 20.A O no hydrogen 2.887 N/A GLY 27.A N ALA 52.A O no hydrogen 2.727 N/A SER 28.A N PRO 25.A O no hydrogen 3.077 N/A SER 28.A OG PRO 25.A O no hydrogen 2.638 N/A GLU 29.A N MET 1.A O no hydrogen 2.943 N/A LEU 30.A N LYS 54.A O no hydrogen 2.692 N/A SER 31.A N VAL 3.A O no hydrogen 2.885 N/A SER 31.A OG ALA 66.A O no hydrogen 2.552 N/A LEU 32.A N LYS 56.A O no hydrogen 2.764 N/A TYR 33.A N VAL 5.A O no hydrogen 2.851 N/A TYR 33.A OH GLY 60.A O no hydrogen 2.581 N/A ASP 34.A N PHE 58.A O no hydrogen 3.219 N/A ALA 36.A N ASP 34.A OD1 no hydrogen 2.889 N/A THR 39.A N ALA 36.A O no hydrogen 3.240 N/A THR 39.A OG1 ASP 34.A O no hydrogen 3.451 N/A THR 39.A OG1 ALA 36.A O no hydrogen 2.707 N/A GLY 41.A N VAL 38.A O no hydrogen 2.871 N/A VAL 42.A N VAL 38.A O no hydrogen 3.203 N/A ALA 43.A N THR 39.A O no hydrogen 3.270 N/A VAL 44.A N PRO 40.A O no hydrogen 3.088 N/A ASP 45.A N GLY 41.A O no hydrogen 2.767 N/A LEU 46.A N VAL 42.A O no hydrogen 2.981 N/A SER 47.A N ALA 43.A O no hydrogen 2.763 N/A SER 47.A OG VAL 44.A O no hydrogen 2.536 N/A HIS 48.A N ASP 45.A O no hydrogen 3.320 N/A ILE 49.A N LEU 46.A O no hydrogen 2.904 N/A THR 51.A N ILE 49.A O no hydrogen 2.814 N/A THR 51.A OG1 LYS 21.A O no hydrogen 2.626 N/A LYS 54.A N SER 28.A O no hydrogen 3.215 N/A LYS 56.A N LEU 30.A O no hydrogen 3.018 N/A PHE 58.A N LEU 32.A O no hydrogen 2.763 N/A SER 59.A OG ASP 34.A O no hydrogen 2.927 N/A SER 59.A OG ALA 36.A O no hydrogen 3.030 N/A GLY 60.A N SER 59.A OG no hydrogen 2.685 N/A ALA 63.A N GLN 104.A OE1 no hydrogen 2.639 N/A THR 64.A N ASP 62.A OD1 no hydrogen 3.238 N/A THR 64.A OG1 ASP 62.A OD1 no hydrogen 2.506 N/A LEU 67.A N ALA 63.A O no hydrogen 3.101 N/A LEU 67.A N THR 64.A O no hydrogen 3.058 N/A GLU 68.A N THR 64.A O no hydrogen 3.036 N/A ALA 70.A N LEU 67.A O no hydrogen 3.021 N/A ASP 71.A N LYS 2.A O no hydrogen 2.772 N/A VAL 72.A N LYS 2.A O no hydrogen 3.189 N/A VAL 73.A N CYS 113.A O no hydrogen 2.674 N/A LEU 74.A N ALA 4.A O no hydrogen 2.819 N/A ILE 75.A N GLY 115.A O no hydrogen 2.813 N/A SER 76.A N LEU 6.A O no hydrogen 2.877 N/A ALA 77.A N LEU 6.A O no hydrogen 2.978 N/A VAL 79.A N ASN 94.A OD1 no hydrogen 2.923 N/A MET 85.A N LYS 82.A O no hydrogen 3.133 N/A ASP 86.A N ASP 89.A OD2 no hydrogen 3.228 N/A ASP 89.A N ASP 86.A OD1 no hydrogen 2.988 N/A LEU 90.A N ASP 86.A O no hydrogen 2.901 N/A PHE 91.A N ARG 87.A O no hydrogen 2.894 N/A ASN 92.A N SER 88.A O no hydrogen 3.279 N/A VAL 93.A N ASP 89.A O no hydrogen 3.134 N/A ASN 94.A N LEU 90.A O no hydrogen 2.920 N/A ASN 94.A ND2 VAL 79.A O no hydrogen 3.166 N/A ASN 94.A ND2 ASN 119.A O no hydrogen 3.359 N/A ALA 95.A N PHE 91.A O no hydrogen 2.786 N/A GLY 96.A N ASN 92.A O no hydrogen 3.067 N/A ILE 97.A N VAL 93.A O no hydrogen 2.896 N/A VAL 98.A N ASN 94.A O no hydrogen 2.976 N/A LYS 99.A N ALA 95.A O no hydrogen 2.938 N/A ASN 100.A N GLY 96.A O no hydrogen 2.978 N/A LEU 101.A N ILE 97.A O no hydrogen 2.851 N/A VAL 102.A N VAL 98.A O no hydrogen 2.892 N/A GLN 103.A N LYS 99.A O no hydrogen 3.128 N/A GLN 104.A N ASN 100.A O no hydrogen 3.125 N/A GLN 104.A NE2 GLU 61.A O no hydrogen 3.035 N/A VAL 105.A N LEU 101.A O no hydrogen 2.974 N/A ALA 106.A N VAL 102.A O no hydrogen 2.827 N/A LYS 107.A N GLN 103.A O no hydrogen 3.137 N/A THR 108.A N GLN 104.A O no hydrogen 3.177 N/A CYS 109.A N VAL 105.A O no hydrogen 2.875 N/A CYS 109.A SG LEU 67.A O no hydrogen 3.565 N/A CYS 109.A SG VAL 105.A O no hydrogen 3.973 N/A ALA 112.A N CYS 109.A O no hydrogen 3.107 N/A CYS 113.A N ASP 71.A O no hydrogen 2.883 N/A ILE 114.A N LYS 142.A O no hydrogen 2.763 N/A GLY 115.A N VAL 73.A O no hydrogen 2.659 N/A ILE 116.A N PHE 144.A O no hydrogen 2.751 N/A ILE 117.A N ILE 75.A O no hydrogen 2.835 N/A THR 118.A N ILE 75.A O no hydrogen 3.196 N/A THR 118.A OG1 ILE 75.A O no hydrogen 3.248 N/A THR 118.A OG1 ALA 77.A O no hydrogen 2.615 N/A VAL 121.A N ASN 119.A OD1 no hydrogen 3.238 N/A ASN 122.A ND2 THR 181.A OG1 no hydrogen 3.038 N/A ASN 122.A ND2 ASP 302.A OD2 no hydrogen 3.173 N/A THR 123.A N PRO 120.A O no hydrogen 2.866 N/A THR 123.A OG1 ASP 302.A O no hydrogen 2.435 N/A THR 124.A N PRO 120.A O no hydrogen 2.780 N/A THR 124.A OG1 THR 118.A O no hydrogen 2.864 N/A THR 124.A OG1 PRO 120.A O no hydrogen 3.033 N/A VAL 125.A N VAL 121.A O no hydrogen 3.175 N/A ILE 127.A N THR 123.A O no hydrogen 3.005 N/A ALA 128.A N THR 124.A O no hydrogen 3.053 N/A ALA 129.A N VAL 125.A O no hydrogen 2.954 N/A GLU 130.A N ALA 126.A O no hydrogen 3.112 N/A VAL 131.A N ILE 127.A O no hydrogen 2.841 N/A LEU 132.A N ALA 128.A O no hydrogen 2.973 N/A LYS 133.A N ALA 129.A O no hydrogen 2.927 N/A LYS 133.A NZ ALA 129.A O no hydrogen 2.763 N/A LYS 134.A N GLU 130.A O no hydrogen 3.079 N/A ALA 135.A N VAL 131.A O no hydrogen 3.168 N/A GLY 136.A N LYS 133.A O no hydrogen 2.855 N/A VAL 137.A N LEU 132.A O no hydrogen 2.865 N/A LYS 140.A NZ GLY 256.A O no hydrogen 2.845 N/A ASN 141.A N ASP 139.A OD1 no hydrogen 2.936 N/A LYS 142.A N ASP 139.A O no hydrogen 2.984 N/A LYS 142.A NZ LYS 111.A O no hydrogen 2.812 N/A PHE 144.A N ILE 114.A O no hydrogen 2.934 N/A GLY 145.A N TYR 253.A O no hydrogen 2.773 N/A VAL 146.A N ILE 116.A O no hydrogen 2.948 N/A THR 147.A OG1 SER 265.A OG no hydrogen 3.421 N/A ASP 150.A N THR 147.A O no hydrogen 2.900 N/A ILE 152.A N THR 148.A O no hydrogen 2.970 N/A ARG 153.A N LEU 149.A O no hydrogen 3.031 N/A SER 154.A N ASP 150.A O no hydrogen 2.952 N/A SER 154.A OG ASP 150.A O no hydrogen 2.764 N/A ASN 155.A N ILE 151.A O no hydrogen 2.740 N/A ASN 155.A ND2 GLU 170.A OE1 no hydrogen 3.072 N/A THR 156.A N ILE 152.A O no hydrogen 2.936 N/A THR 156.A OG1 ILE 152.A O no hydrogen 2.788 N/A PHE 157.A N ARG 153.A O no hydrogen 2.908 N/A VAL 158.A N SER 154.A O no hydrogen 2.963 N/A ALA 159.A N ASN 155.A O no hydrogen 3.028 N/A GLU 160.A N THR 156.A O no hydrogen 3.222 N/A LEU 161.A N PHE 157.A O no hydrogen 3.087 N/A LYS 162.A N VAL 158.A O no hydrogen 2.935 N/A LYS 162.A NZ SER 193.A O no hydrogen 2.568 N/A LYS 164.A N ALA 159.A O no hydrogen 2.834 N/A LYS 164.A NZ LYS 162.A O no hydrogen 2.727 N/A LYS 164.A NZ GLY 163.A O no hydrogen 3.502 N/A GLU 168.A N GLN 165.A O no hydrogen 2.782 N/A VAL 171.A N ASN 155.A OD1 no hydrogen 2.794 N/A ILE 174.A N LEU 183.A O no hydrogen 2.979 N/A GLY 175.A N SER 265.A O no hydrogen 2.893 N/A GLY 176.A N THR 181.A O no hydrogen 2.706 N/A HIS 177.A N ASN 122.A OD1 no hydrogen 2.805 N/A HIS 177.A ND1 ASP 150.A OD2 no hydrogen 2.532 N/A SER 178.A N THR 181.A OG1 no hydrogen 3.181 N/A THR 181.A N SER 178.A O no hydrogen 3.124 N/A THR 181.A OG1 SER 178.A O no hydrogen 2.697 N/A ILE 182.A N GLY 179.A O no hydrogen 3.188 N/A LEU 183.A N ILE 174.A O no hydrogen 3.087 N/A LEU 185.A N PRO 172.A O no hydrogen 2.665 N/A SER 187.A N GLU 288.A OE2 no hydrogen 2.964 N/A SER 187.A OG GLU 288.A OE1 no hydrogen 2.721 N/A SER 187.A OG GLU 288.A OE2 no hydrogen 3.192 N/A GLN 188.A N LEU 185.A O no hydrogen 3.042 N/A GLN 188.A NE2 ILE 281.A O no hydrogen 2.905 N/A GLN 188.A NE2 THR 283.A O no hydrogen 2.931 N/A VAL 189.A N LEU 186.A O no hydrogen 3.440 N/A VAL 192.A N PRO 190.A O no hydrogen 2.466 N/A THR 195.A N GLU 198.A OE1 no hydrogen 2.967 N/A GLN 197.A NE2 ASP 201.A OD2 no hydrogen 3.080 N/A GLU 198.A N THR 195.A OG1 no hydrogen 3.115 N/A VAL 199.A N THR 195.A O no hydrogen 2.872 N/A ALA 200.A N GLU 196.A O no hydrogen 2.890 N/A ASP 201.A N GLN 197.A O no hydrogen 2.870 N/A LEU 202.A N GLU 198.A O no hydrogen 2.682 N/A THR 203.A N VAL 199.A O no hydrogen 2.805 N/A THR 203.A OG1 VAL 199.A O no hydrogen 2.695 N/A LYS 204.A N ALA 200.A O no hydrogen 3.141 N/A ARG 205.A N ASP 201.A O no hydrogen 2.872 N/A ARG 205.A NE GLU 212.A OE1 no hydrogen 3.374 N/A ARG 205.A NH2 GLU 212.A OE2 no hydrogen 2.967 N/A ILE 206.A N LEU 202.A O no hydrogen 2.811 N/A GLN 207.A N THR 203.A O no hydrogen 2.866 N/A GLN 207.A NE2 ILE 182.A O no hydrogen 2.994 N/A ASN 208.A N LYS 204.A O no hydrogen 3.106 N/A ASN 208.A N ARG 205.A O no hydrogen 3.377 N/A ASN 208.A ND2 LYS 204.A O no hydrogen 2.932 N/A VAL 213.A N GLY 210.A O no hydrogen 2.931 N/A VAL 214.A N GLY 210.A O no hydrogen 3.058 N/A GLU 215.A N THR 211.A O no hydrogen 2.796 N/A ALA 216.A N GLU 212.A O no hydrogen 3.326 N/A LYS 217.A N VAL 213.A O no hydrogen 2.949 N/A LYS 217.A NZ SER 222.A O no hydrogen 2.857 N/A ALA 218.A N GLU 215.A O no hydrogen 3.200 N/A GLY 219.A N VAL 214.A O no hydrogen 2.948 N/A GLY 220.A N LYS 217.A O no hydrogen 2.792 N/A GLY 228.A N THR 224.A O no hydrogen 2.881 N/A GLN 229.A N LEU 225.A O no hydrogen 3.015 N/A ALA 230.A N SER 226.A O no hydrogen 2.907 N/A ALA 231.A N MET 227.A O no hydrogen 2.868 N/A ALA 232.A N GLY 228.A O no hydrogen 3.046 N/A ARG 233.A N GLN 229.A O no hydrogen 3.129 N/A ARG 233.A NE GLU 250.A OE2 no hydrogen 2.965 N/A ARG 233.A NH1 GLU 170.A OE1 no hydrogen 3.104 N/A ARG 233.A NH2 GLU 170.A OE1 no hydrogen 3.557 N/A ARG 233.A NH2 GLU 170.A OE2 no hydrogen 2.857 N/A ARG 233.A NH2 GLU 250.A OE2 no hydrogen 2.626 N/A PHE 234.A N ALA 230.A O no hydrogen 3.058 N/A GLY 235.A N ALA 231.A O no hydrogen 2.839 N/A LEU 236.A N ALA 232.A O no hydrogen 2.833 N/A SER 237.A N ARG 233.A O no hydrogen 3.072 N/A SER 237.A OG ARG 233.A O no hydrogen 3.187 N/A SER 237.A OG GLU 250.A OE1 no hydrogen 2.786 N/A LEU 238.A N PHE 234.A O no hydrogen 2.934 N/A VAL 239.A N GLY 235.A O no hydrogen 2.905 N/A ARG 240.A N LEU 236.A O no hydrogen 2.987 N/A ARG 240.A NE GLU 245.A OE1 no hydrogen 3.405 N/A ARG 240.A NE GLU 245.A OE2 no hydrogen 3.058 N/A ARG 240.A NH2 GLU 245.A OE2 no hydrogen 2.696 N/A ALA 241.A N SER 237.A O no hydrogen 3.130 N/A LEU 242.A N LEU 238.A O no hydrogen 2.911 N/A GLN 243.A N VAL 239.A O no hydrogen 2.916 N/A GLY 244.A N ALA 241.A O no hydrogen 2.988 N/A GLU 245.A N ARG 240.A O no hydrogen 2.931 N/A GLU 250.A N LEU 268.A O no hydrogen 2.897 N/A CYS 251.A SG VAL 173.A O no hydrogen 3.692 N/A ALA 252.A N GLN 266.A O no hydrogen 3.484 N/A TYR 253.A N GLY 145.A O no hydrogen 3.089 N/A TYR 253.A OH ASN 122.A O no hydrogen 2.941 N/A VAL 254.A N PHE 264.A O no hydrogen 3.220 N/A GLY 256.A N ARG 262.A O no hydrogen 3.382 N/A GLN 259.A N ASP 257.A O no hydrogen 2.294 N/A ARG 262.A NE GLU 307.A OE2 no hydrogen 2.981 N/A ARG 262.A NH1 GLU 255.A OE2 no hydrogen 2.522 N/A ARG 262.A NH2 GLU 307.A OE2 no hydrogen 2.781 N/A PHE 264.A N VAL 254.A O no hydrogen 3.008 N/A SER 265.A N GLY 175.A O no hydrogen 2.648 N/A SER 265.A OG THR 147.A OG1 no hydrogen 3.421 N/A GLN 266.A N ALA 252.A O no hydrogen 3.398 N/A GLN 266.A NE2 LYS 279.A O no hydrogen 2.796 N/A LEU 268.A N GLU 250.A O no hydrogen 2.673 N/A LEU 269.A N GLU 277.A O no hydrogen 2.901 N/A LEU 270.A N VAL 248.A O no hydrogen 2.756 N/A GLY 271.A N GLY 274.A O no hydrogen 2.827 N/A GLY 274.A N GLY 271.A O no hydrogen 3.338 N/A VAL 275.A N ASN 141.A O no hydrogen 2.649 N/A GLU 276.A N LEU 269.A O no hydrogen 2.776 N/A GLU 277.A N LEU 269.A O no hydrogen 3.118 N/A ARG 278.A NE GLU 255.A O no hydrogen 2.709 N/A ARG 278.A NH1 ASN 141.A OD1 no hydrogen 2.896 N/A ARG 278.A NH2 ASN 141.A OD1 no hydrogen 3.042 N/A ARG 278.A NH2 GLU 255.A O no hydrogen 2.671 N/A LYS 279.A N PRO 267.A O no hydrogen 2.803 N/A GLY 282.A N SER 280.A OG no hydrogen 3.097 N/A SER 285.A N GLU 288.A OE1 no hydrogen 2.858 N/A GLU 288.A N SER 285.A OG no hydrogen 3.126 N/A GLN 289.A N SER 285.A O no hydrogen 2.982 N/A GLN 289.A NE2 GLU 293.A OE2 no hydrogen 2.577 N/A ASN 290.A N ALA 286.A O no hydrogen 3.066 N/A ALA 291.A N PHE 287.A O no hydrogen 2.929 N/A LEU 292.A N GLU 288.A O no hydrogen 2.865 N/A GLU 293.A N GLN 289.A O no hydrogen 3.036 N/A GLY 294.A N ASN 290.A O no hydrogen 2.958 N/A MET 295.A N LEU 292.A O no hydrogen 3.237 N/A LEU 296.A N GLU 293.A O no hydrogen 3.474 N/A LEU 299.A N MET 295.A O no hydrogen 3.009 N/A LYS 300.A N LEU 296.A O no hydrogen 3.002 N/A LYS 301.A N ASP 297.A O no hydrogen 2.932 N/A ASP 302.A N THR 298.A O no hydrogen 2.855 N/A ILE 303.A N LEU 299.A O no hydrogen 3.032 N/A ALA 304.A N LYS 300.A O no hydrogen 3.013 N/A LEU 305.A N LYS 301.A O no hydrogen 3.010 N/A GLY 306.A N ILE 303.A O no hydrogen 3.050 N/A GLU 307.A N ILE 303.A O no hydrogen 3.462 N/A GLU 308.A N ALA 304.A O no hydrogen 2.991 N/A PHE 309.A N LEU 305.A O no hydrogen 3.186 N/A VAL 310.A N GLY 306.A O no hydrogen 3.355 N/A ASN 311.A N GLU 307.A O no hydrogen 2.994 N/A LYS 312.A NZ PHE 309.A O no hydrogen 3.458 N/A