Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mwe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 128.A OD1 no hydrogen 2.771 N/A LYS 2.A NZ VAL 132.A O no hydrogen 2.718 N/A SER 3.A OG THR 5.A O no hydrogen 3.274 N/A SER 8.A N THR 11.A OG1 no hydrogen 2.773 N/A ARG 9.A NH1 CYS 33.A O no hydrogen 3.558 N/A ARG 9.A NH2 SER 34.A O no hydrogen 2.784 N/A HIS 10.A N SER 8.A OG no hydrogen 3.171 N/A THR 11.A N SER 8.A O no hydrogen 2.977 N/A THR 11.A OG1 SER 8.A O no hydrogen 3.238 N/A LYS 12.A NZ GLU 37.A OE1 no hydrogen 3.139 N/A LYS 12.A NZ PRO 38.A O no hydrogen 2.738 N/A ALA 13.A N SER 39.A O no hydrogen 2.682 N/A ILE 14.A N VAL 82.A O no hydrogen 2.858 N/A VAL 15.A N ALA 42.A O no hydrogen 3.127 N/A TRP 16.A N ILE 84.A O no hydrogen 2.917 N/A GLY 17.A N VAL 44.A O no hydrogen 2.829 N/A VAL 23.A N GLN 19.A O no hydrogen 3.167 N/A GLN 24.A N THR 20.A O no hydrogen 2.971 N/A GLN 24.A NE2 ASP 28.A OD1 no hydrogen 2.766 N/A GLN 24.A NE2 TYR 56.A O no hydrogen 2.989 N/A GLY 25.A N ARG 21.A O no hydrogen 3.124 N/A MET 26.A N ALA 22.A O no hydrogen 3.033 N/A LEU 27.A N VAL 23.A O no hydrogen 2.935 N/A ASP 28.A N GLN 24.A O no hydrogen 2.852 N/A PHE 29.A N GLY 25.A O no hydrogen 2.863 N/A ASP 30.A N MET 26.A O no hydrogen 2.659 N/A TYR 31.A N LEU 27.A O no hydrogen 2.747 N/A TYR 31.A OH THR 319.A OG1 no hydrogen 3.128 N/A VAL 32.A N ASP 28.A O no hydrogen 3.100 N/A CYS 33.A N PHE 29.A O no hydrogen 3.017 N/A CYS 33.A SG PHE 29.A O no hydrogen 3.256 N/A CYS 33.A SG TYR 166.A O no hydrogen 3.661 N/A SER 34.A N TYR 31.A O no hydrogen 3.024 N/A ARG 35.A N ASP 30.A O no hydrogen 3.105 N/A ARG 35.A NE GLU 37.A O no hydrogen 2.929 N/A ARG 35.A NH1 THR 11.A O no hydrogen 3.413 N/A ARG 35.A NH1 CYS 147.A O no hydrogen 2.831 N/A ARG 35.A NH2 THR 11.A O no hydrogen 2.912 N/A ARG 35.A NH2 GLU 37.A O no hydrogen 3.124 N/A ARG 35.A NH2 PRO 38.A O no hydrogen 3.332 N/A SER 39.A N ASP 30.A OD2 no hydrogen 2.938 N/A SER 39.A OG ASP 30.A OD1 no hydrogen 3.053 N/A SER 39.A OG ASP 30.A OD2 no hydrogen 2.534 N/A ALA 41.A N ALA 13.A O no hydrogen 3.005 N/A MET 43.A N PRO 65.A O no hydrogen 2.968 N/A VAL 44.A N VAL 15.A O no hydrogen 2.943 N/A TYR 45.A N PHE 67.A O no hydrogen 2.903 N/A HIS 51.A N VAL 66.A O no hydrogen 3.100 N/A HIS 51.A ND1 GLY 49.A O no hydrogen 2.970 N/A GLN 53.A N ILE 64.A O no hydrogen 2.828 N/A PHE 55.A N ILE 62.A O no hydrogen 3.115 N/A TYR 56.A N GLN 24.A OE1 no hydrogen 2.941 N/A TYR 56.A OH GLU 61.A OE1 no hydrogen 3.273 N/A TRP 57.A N LYS 60.A O no hydrogen 2.792 N/A ILE 62.A N PHE 55.A O no hydrogen 2.890 N/A ILE 64.A N GLN 53.A O no hydrogen 2.858 N/A VAL 66.A N HIS 51.A O no hydrogen 2.712 N/A PHE 67.A N MET 43.A O no hydrogen 2.809 N/A LYS 68.A N ASP 50.A OD1 no hydrogen 2.902 N/A LYS 68.A NZ PRO 46.A O no hydrogen 3.378 N/A MET 74.A N MET 70.A O no hydrogen 2.949 N/A ARG 75.A N ALA 71.A O no hydrogen 2.730 N/A LYS 76.A N ASP 72.A O no hydrogen 2.969 N/A HIS 77.A N MET 74.A O no hydrogen 3.062 N/A HIS 77.A ND1 GLU 79.A OE2 no hydrogen 2.899 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.625 N/A VAL 80.A N HIS 77.A O no hydrogen 2.967 N/A ASP 81.A N LYS 12.A O no hydrogen 3.180 N/A LEU 83.A N THR 107.A O no hydrogen 3.046 N/A ILE 84.A N ILE 14.A O no hydrogen 2.819 N/A ASN 85.A N ALA 109.A O no hydrogen 2.795 N/A ASN 85.A ND2 SER 95.A OG no hydrogen 3.110 N/A ASN 85.A ND2 THR 96.A OG1 no hydrogen 2.982 N/A PHE 86.A N TRP 16.A O no hydrogen 2.939 N/A ALA 87.A N ASN 85.A OD1 no hydrogen 2.924 N/A ARG 90.A N SER 88.A OG no hydrogen 3.373 N/A SER 91.A N SER 88.A O no hydrogen 2.861 N/A SER 95.A N SER 91.A O no hydrogen 3.107 N/A SER 95.A OG SER 91.A O no hydrogen 2.521 N/A SER 95.A OG ALA 92.A O no hydrogen 3.185 N/A THR 96.A N ALA 92.A O no hydrogen 3.044 N/A THR 96.A OG1 ALA 92.A O no hydrogen 2.685 N/A MET 97.A N TYR 93.A O no hydrogen 2.911 N/A GLU 98.A N ASP 94.A O no hydrogen 2.909 N/A THR 99.A N SER 95.A O no hydrogen 3.012 N/A THR 99.A OG1 SER 95.A O no hydrogen 2.797 N/A MET 100.A N MET 97.A O no hydrogen 3.228 N/A ASN 101.A N GLU 98.A O no hydrogen 2.914 N/A TYR 102.A N THR 99.A O no hydrogen 3.061 N/A GLN 104.A NE2 MET 74.A O no hydrogen 3.581 N/A GLN 104.A NE2 HIS 77.A O no hydrogen 2.947 N/A GLN 104.A NE2 VAL 80.A O no hydrogen 3.051 N/A ILE 105.A N TYR 102.A O no hydrogen 3.119 N/A ARG 106.A N ASP 81.A O no hydrogen 2.938 N/A ARG 106.A NH1 ALA 103.A O no hydrogen 2.913 N/A ARG 106.A NH2 LYS 130.A O no hydrogen 3.050 N/A THR 107.A N ASP 81.A O no hydrogen 3.342 N/A ILE 108.A N THR 133.A O no hydrogen 2.911 N/A ALA 109.A N LEU 83.A O no hydrogen 2.987 N/A ILE 110.A N ILE 135.A O no hydrogen 2.876 N/A ILE 111.A N ASN 85.A O no hydrogen 3.027 N/A THR 120.A N PRO 116.A O no hydrogen 3.046 N/A THR 120.A OG1 PRO 116.A O no hydrogen 3.478 N/A ARG 121.A N GLU 117.A O no hydrogen 2.963 N/A LEU 123.A N LEU 119.A O no hydrogen 3.044 N/A ILE 124.A N THR 120.A O no hydrogen 2.971 N/A LYS 125.A N ARG 121.A O no hydrogen 2.916 N/A LYS 126.A N LYS 122.A O no hydrogen 3.122 N/A LYS 126.A NZ MET 97.A O no hydrogen 2.866 N/A LYS 126.A NZ ASN 101.A OD1 no hydrogen 2.791 N/A ALA 127.A N LEU 123.A O no hydrogen 2.852 N/A ASP 128.A N ILE 124.A O no hydrogen 2.787 N/A GLN 129.A N LYS 125.A O no hydrogen 2.992 N/A LYS 130.A N LYS 126.A O no hydrogen 2.826 N/A GLY 131.A N ASP 128.A O no hydrogen 3.447 N/A VAL 132.A N ALA 127.A O no hydrogen 2.976 N/A THR 133.A N ARG 106.A O no hydrogen 2.973 N/A ILE 135.A N ILE 108.A O no hydrogen 2.861 N/A ALA 138.A N ALA 112.A O no hydrogen 2.766 N/A THR 139.A OG1 ALA 200.A O no hydrogen 2.618 N/A GLY 141.A N THR 139.A OG1 no hydrogen 2.898 N/A GLY 142.A N THR 153.A OG1 no hydrogen 2.970 N/A ILE 143.A N GLY 198.A O no hydrogen 2.798 N/A LYS 144.A N PHE 148.A O no hydrogen 2.651 N/A LYS 144.A NZ PHE 7.A O no hydrogen 3.040 N/A LYS 144.A NZ TYR 196.A OH no hydrogen 3.464 N/A CYS 147.A N LYS 144.A O no hydrogen 2.817 N/A CYS 147.A SG PRO 145.A O no hydrogen 3.801 N/A PHE 148.A N LYS 144.A O no hydrogen 2.981 N/A LYS 149.A NZ THR 153.A O no hydrogen 2.957 N/A ILE 150.A N GLY 142.A O no hydrogen 2.985 N/A THR 153.A N ILE 150.A O no hydrogen 2.944 N/A THR 153.A OG1 VAL 140.A O no hydrogen 2.806 N/A THR 153.A OG1 GLY 142.A O no hydrogen 3.248 N/A THR 153.A OG1 ILE 150.A O no hydrogen 2.742 N/A GLY 155.A N ASN 152.A O no hydrogen 2.985 N/A ASN 159.A N MET 156.A O no hydrogen 2.739 N/A ASN 159.A ND2 GLY 154.A O no hydrogen 2.716 N/A ASN 159.A ND2 ASN 182.A OD1 no hydrogen 3.050 N/A ILE 160.A N MET 156.A O no hydrogen 3.155 N/A LEU 161.A N LEU 157.A O no hydrogen 2.868 N/A ALA 162.A N ASP 158.A O no hydrogen 3.092 N/A SER 163.A N ASN 159.A O no hydrogen 2.929 N/A LYS 164.A N LEU 161.A O no hydrogen 3.159 N/A LEU 165.A N ILE 160.A O no hydrogen 2.840 N/A ARG 167.A NE GLU 314.A OE1 no hydrogen 3.180 N/A ARG 167.A NH1 ARG 167.A O no hydrogen 2.784 N/A ARG 167.A NH1 ASP 193.A O no hydrogen 3.246 N/A ARG 167.A NH2 ASP 193.A O no hydrogen 3.288 N/A ARG 167.A NH2 GLU 314.A OE2 no hydrogen 2.838 N/A GLY 169.A N VAL 195.A O no hydrogen 3.021 N/A SER 170.A N ASP 193.A OD1 no hydrogen 2.911 N/A SER 170.A OG ASP 193.A OD1 no hydrogen 3.462 N/A SER 170.A OG ASP 193.A OD2 no hydrogen 2.469 N/A VAL 171.A N GLY 194.A O no hydrogen 3.243 N/A ALA 172.A N MET 226.A O no hydrogen 2.885 N/A TYR 173.A N GLU 197.A O no hydrogen 3.067 N/A TYR 173.A OH ASN 185.A OD1 no hydrogen 2.578 N/A VAL 174.A N VAL 228.A O no hydrogen 3.027 N/A SER 175.A N VAL 199.A O no hydrogen 3.174 N/A SER 175.A OG SER 177.A O no hydrogen 3.159 N/A SER 175.A OG SER 181.A OG no hydrogen 2.710 N/A MET 180.A N SER 177.A OG no hydrogen 2.869 N/A SER 181.A N SER 177.A O no hydrogen 2.920 N/A SER 181.A OG SER 175.A OG no hydrogen 2.710 N/A SER 181.A OG SER 177.A O no hydrogen 3.236 N/A ASN 182.A N GLY 178.A O no hydrogen 3.226 N/A GLU 183.A N GLY 179.A O no hydrogen 3.308 N/A LEU 184.A N MET 180.A O no hydrogen 2.696 N/A ASN 185.A N SER 181.A O no hydrogen 2.848 N/A ASN 185.A ND2 ASN 182.A OD1 no hydrogen 3.109 N/A ASN 186.A N ASN 182.A O no hydrogen 3.133 N/A ASN 186.A ND2 GLU 183.A OE2 no hydrogen 3.325 N/A ILE 187.A N GLU 183.A O no hydrogen 2.792 N/A ILE 188.A N LEU 184.A O no hydrogen 2.751 N/A SER 189.A N ASN 185.A O no hydrogen 2.988 N/A SER 189.A OG ASN 185.A O no hydrogen 3.513 N/A SER 189.A OG ASN 186.A O no hydrogen 3.247 N/A ARG 190.A N ASN 186.A O no hydrogen 3.181 N/A ARG 190.A NE ASN 186.A OD1 no hydrogen 2.921 N/A THR 191.A N ILE 188.A O no hydrogen 3.232 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.799 N/A THR 191.A OG1 ILE 188.A O no hydrogen 3.511 N/A THR 192.A N ILE 188.A O no hydrogen 2.904 N/A THR 192.A OG1 ILE 188.A O no hydrogen 2.671 N/A GLY 194.A N THR 192.A OG1 no hydrogen 2.982 N/A TYR 196.A N VAL 171.A O no hydrogen 2.727 N/A GLY 198.A N ILE 143.A O no hydrogen 2.890 N/A VAL 199.A N TYR 173.A O no hydrogen 3.266 N/A ALA 200.A N GLY 141.A O no hydrogen 2.908 N/A ILE 201.A N SER 175.A O no hydrogen 2.821 N/A GLY 202.A N ARG 176.A O no hydrogen 3.014 N/A GLY 208.A N GLY 136.A O no hydrogen 2.704 N/A SER 209.A OG ILE 134.A O no hydrogen 2.531 N/A SER 209.A OG HIS 214.A NE2 no hydrogen 2.817 N/A THR 210.A N ASP 213.A OD2 no hydrogen 3.058 N/A THR 210.A OG1 GLU 237.A OE2 no hydrogen 3.224 N/A MET 212.A N GLU 237.A OE2 no hydrogen 2.942 N/A ASP 213.A N THR 210.A OG1 no hydrogen 3.189 N/A HIS 214.A N THR 210.A O no hydrogen 3.377 N/A HIS 214.A NE2 SER 209.A OG no hydrogen 2.817 N/A VAL 215.A N PHE 211.A O no hydrogen 2.898 N/A LEU 216.A N MET 212.A O no hydrogen 2.920 N/A ARG 217.A N ASP 213.A O no hydrogen 3.268 N/A ARG 217.A NE HIS 214.A ND1 no hydrogen 3.245 N/A ARG 217.A NH1 THR 4.A O no hydrogen 3.002 N/A ARG 217.A NH1 GLU 197.A OE1 no hydrogen 3.296 N/A ARG 217.A NH1 GLU 197.A OE2 no hydrogen 3.242 N/A ARG 217.A NH2 GLU 197.A OE2 no hydrogen 2.917 N/A ARG 217.A NH2 HIS 214.A ND1 no hydrogen 3.089 N/A TYR 218.A N HIS 214.A O no hydrogen 2.895 N/A TYR 218.A OH TYR 173.A O no hydrogen 2.846 N/A GLN 219.A N VAL 215.A O no hydrogen 2.817 N/A GLN 219.A NE2 THR 251.A OG1 no hydrogen 3.339 N/A ASP 220.A N LEU 216.A O no hydrogen 3.009 N/A THR 221.A N TYR 218.A O no hydrogen 3.009 N/A THR 221.A OG1 ARG 217.A O no hydrogen 2.746 N/A VAL 224.A N THR 221.A O no hydrogen 2.794 N/A LYS 225.A N SER 170.A O no hydrogen 3.014 N/A LYS 225.A NZ VAL 308.A O no hydrogen 3.313 N/A ILE 227.A N PRO 253.A O no hydrogen 2.980 N/A VAL 228.A N ALA 172.A O no hydrogen 2.684 N/A VAL 229.A N VAL 255.A O no hydrogen 2.753 N/A LEU 230.A N VAL 174.A O no hydrogen 3.106 N/A GLY 231.A N TRP 257.A O no hydrogen 2.900 N/A GLU 232.A N GLU 238.A OE2 no hydrogen 2.996 N/A ILE 233.A N ILE 259.A O no hydrogen 3.015 N/A GLY 234.A N GLU 269.A O no hydrogen 2.850 N/A GLY 235.A N GLU 269.A OE1 no hydrogen 2.835 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.628 N/A TYR 239.A N THR 236.A O no hydrogen 3.117 N/A TYR 239.A OH SER 268.A O no hydrogen 2.700 N/A LYS 240.A N GLU 237.A O no hydrogen 3.006 N/A LYS 240.A NZ GLU 237.A OE1 no hydrogen 2.718 N/A LYS 240.A NZ GLU 237.A OE2 no hydrogen 3.475 N/A ILE 241.A N GLU 238.A O no hydrogen 3.136 N/A CYS 242.A N GLU 238.A O no hydrogen 3.399 N/A CYS 242.A SG GLU 238.A O no hydrogen 3.866 N/A ARG 243.A N TYR 239.A O no hydrogen 2.918 N/A GLY 244.A N LYS 240.A O no hydrogen 2.894 N/A ILE 245.A N ILE 241.A O no hydrogen 3.199 N/A LYS 246.A N CYS 242.A O no hydrogen 3.090 N/A GLU 247.A N ARG 243.A O no hydrogen 2.877 N/A GLY 248.A N ILE 245.A O no hydrogen 3.200 N/A ARG 249.A NH1 ASP 220.A OD1 no hydrogen 2.815 N/A ARG 249.A NH1 ARG 249.A O no hydrogen 3.570 N/A ARG 249.A NH2 ASP 220.A OD1 no hydrogen 3.512 N/A ARG 249.A NH2 ASP 220.A OD2 no hydrogen 2.841 N/A LEU 250.A N GLY 244.A O no hydrogen 3.060 N/A THR 251.A N GLN 219.A OE1 no hydrogen 2.967 N/A LYS 252.A N GLN 219.A OE1 no hydrogen 3.418 N/A LYS 252.A NZ TYR 218.A O no hydrogen 2.822 N/A LYS 252.A NZ GLN 219.A O no hydrogen 2.965 N/A LYS 252.A NZ THR 221.A O no hydrogen 2.820 N/A LYS 252.A NZ VAL 224.A O no hydrogen 2.766 N/A VAL 255.A N ILE 227.A O no hydrogen 2.664 N/A CYS 256.A N PHE 284.A O no hydrogen 2.995 N/A CYS 256.A SG VAL 229.A O no hydrogen 3.415 N/A TRP 257.A N VAL 229.A O no hydrogen 3.269 N/A CYS 258.A N ASN 275.A OD1 no hydrogen 2.739 N/A ILE 259.A N GLY 231.A O no hydrogen 3.065 N/A ALA 263.A N GLY 260.A O no hydrogen 3.288 N/A THR 264.A N CYS 262.A O no hydrogen 2.486 N/A SER 268.A OG GLN 266.A OE1 no hydrogen 2.564 N/A GLU 269.A N GLN 266.A O no hydrogen 2.851 N/A THR 270.A N ALA 267.A O no hydrogen 3.389 N/A THR 270.A OG1 ALA 267.A O no hydrogen 3.218 N/A ALA 273.A N THR 270.A OG1 no hydrogen 3.161 N/A LYS 274.A N THR 270.A O no hydrogen 3.100 N/A LYS 274.A NZ GLU 232.A O no hydrogen 2.786 N/A LYS 274.A NZ GLY 234.A O no hydrogen 2.952 N/A LYS 274.A NZ GLY 235.A O no hydrogen 2.704 N/A LYS 274.A NZ GLU 238.A OE1 no hydrogen 2.745 N/A ASN 275.A N ALA 271.A O no hydrogen 2.793 N/A ASN 275.A ND2 CYS 258.A O no hydrogen 3.227 N/A GLN 276.A N VAL 272.A O no hydrogen 3.125 N/A ALA 277.A N ALA 273.A O no hydrogen 2.912 N/A LEU 278.A N LYS 274.A O no hydrogen 2.871 N/A LYS 279.A N ASN 275.A O no hydrogen 3.034 N/A GLU 280.A N GLN 276.A O no hydrogen 3.012 N/A ALA 281.A N ALA 277.A O no hydrogen 3.095 N/A ALA 281.A N LEU 278.A O no hydrogen 2.935 N/A GLY 282.A N LYS 279.A O no hydrogen 3.217 N/A VAL 283.A N LEU 278.A O no hydrogen 3.115 N/A PHE 284.A N ILE 254.A O no hydrogen 2.795 N/A GLU 291.A N SER 288.A O no hydrogen 2.875 N/A LEU 292.A N PHE 289.A O no hydrogen 2.878 N/A ILE 295.A N GLU 291.A O no hydrogen 3.048 N/A ILE 296.A N LEU 292.A O no hydrogen 2.950 N/A GLN 297.A N GLY 293.A O no hydrogen 2.953 N/A GLN 297.A NE2 GLU 301.A OE2 no hydrogen 2.919 N/A SER 298.A N GLU 294.A O no hydrogen 2.978 N/A VAL 299.A N ILE 295.A O no hydrogen 2.900 N/A TYR 300.A N ILE 296.A O no hydrogen 2.919 N/A GLU 301.A N GLN 297.A O no hydrogen 2.877 N/A ASP 302.A N SER 298.A O no hydrogen 3.207 N/A LEU 303.A N VAL 299.A O no hydrogen 3.205 N/A VAL 304.A N TYR 300.A O no hydrogen 2.865 N/A ALA 305.A N GLU 301.A O no hydrogen 2.856 N/A GLY 307.A N VAL 304.A O no hydrogen 2.951 N/A VAL 308.A N ASN 306.A OD1 no hydrogen 3.432 N/A ILE 309.A N LEU 303.A O no hydrogen 3.059 N/A THR 319.A OG1 TYR 31.A OH no hydrogen 3.128 N/A