Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wsa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ASN 34.A O no hydrogen 2.890 N/A VAL 4.A N THR 38.A O no hydrogen 2.844 N/A THR 5.A N ALA 75.A O no hydrogen 3.443 N/A ILE 6.A N LYS 40.A O no hydrogen 2.961 N/A LEU 7.A N ILE 77.A O no hydrogen 2.801 N/A ALA 8.A N GLU 42.A O no hydrogen 2.800 N/A THR 9.A N THR 79.A O no hydrogen 3.339 N/A THR 9.A OG1 THR 79.A O no hydrogen 2.669 N/A TYR 16.A OH ILE 39.A O no hydrogen 2.975 N/A SER 17.A OG ASP 24.A OD2 no hydrogen 3.091 N/A ALA 18.A N ASP 24.A OD1 no hydrogen 2.860 N/A GLY 19.A N SER 17.A OG no hydrogen 3.261 N/A THR 22.A OG1 GLN 43.A OE1 no hydrogen 3.230 N/A ASP 24.A N ALA 20.A O no hydrogen 3.115 N/A LYS 25.A N VAL 21.A O no hydrogen 2.946 N/A LEU 26.A N THR 22.A O no hydrogen 3.236 N/A LEU 27.A N VAL 23.A O no hydrogen 3.165 N/A ALA 28.A N ASP 24.A O no hydrogen 3.065 N/A ALA 28.A N LYS 25.A O no hydrogen 2.891 N/A ALA 29.A N LYS 25.A O no hydrogen 2.835 N/A VAL 30.A N LEU 26.A O no hydrogen 2.713 N/A ILE 33.A N VAL 30.A O no hydrogen 3.045 N/A ASP 35.A N ALA 32.A O no hydrogen 3.225 N/A LEU 36.A N ILE 33.A O no hydrogen 2.687 N/A ALA 37.A N ILE 33.A O no hydrogen 2.941 N/A THR 38.A N PRO 2.A O no hydrogen 2.729 N/A LYS 40.A N VAL 4.A O no hydrogen 3.036 N/A GLY 41.A N ALA 18.A O no hydrogen 2.619 N/A GLU 42.A N ILE 6.A O no hydrogen 2.942 N/A GLN 43.A NE2 GLY 10.A O no hydrogen 2.816 N/A GLN 43.A NE2 SER 45.A O no hydrogen 2.674 N/A SER 45.A N ALA 8.A O no hydrogen 3.424 N/A SER 45.A OG THR 9.A O no hydrogen 2.782 N/A ILE 47.A N THR 9.A O no hydrogen 3.048 N/A GLY 48.A N GLU 51.A OE1 no hydrogen 3.024 N/A GLN 50.A N GLN 50.A OE1 no hydrogen 2.818 N/A GLU 51.A N GLY 48.A O no hydrogen 3.102 N/A MET 52.A N SER 49.A O no hydrogen 3.455 N/A TRP 57.A N THR 53.A O no hydrogen 3.227 N/A LEU 58.A N GLY 54.A O no hydrogen 2.961 N/A LYS 59.A N LYS 55.A O no hydrogen 3.068 N/A LEU 60.A N VAL 56.A O no hydrogen 2.882 N/A ALA 61.A N TRP 57.A O no hydrogen 2.875 N/A LYS 62.A N LEU 58.A O no hydrogen 2.803 N/A LYS 62.A NZ ILE 198.A O no hydrogen 2.587 N/A LYS 62.A NZ ILE 201.A O no hydrogen 2.910 N/A ARG 63.A N LYS 59.A O no hydrogen 2.936 N/A ARG 63.A NE GLU 42.A OE1 no hydrogen 3.100 N/A ARG 63.A NE GLU 42.A OE2 no hydrogen 3.004 N/A ARG 63.A NH1 GLU 66.A OE1 no hydrogen 3.506 N/A ARG 63.A NH2 GLU 42.A OE2 no hydrogen 2.785 N/A VAL 64.A N LEU 60.A O no hydrogen 2.702 N/A ASN 65.A N ALA 61.A O no hydrogen 2.919 N/A ASN 65.A ND2 ALA 61.A O no hydrogen 3.344 N/A ASN 65.A ND2 THR 95.A O no hydrogen 3.162 N/A GLU 66.A N LYS 62.A O no hydrogen 3.108 N/A LEU 67.A N ARG 63.A O no hydrogen 3.073 N/A LEU 68.A N VAL 64.A O no hydrogen 3.015 N/A ALA 69.A N ASN 65.A O no hydrogen 3.148 N/A ALA 69.A N GLU 66.A O no hydrogen 2.918 N/A GLN 70.A N LEU 67.A O no hydrogen 3.252 N/A THR 73.A N GLN 70.A O no hydrogen 3.180 N/A THR 73.A OG1 GLN 3.A OE1 no hydrogen 3.373 N/A THR 73.A OG1 GLU 72.A OE1 no hydrogen 3.457 N/A GLU 74.A N GLN 3.A O no hydrogen 3.120 N/A VAL 76.A N PRO 101.A O no hydrogen 3.163 N/A ILE 77.A N THR 5.A O no hydrogen 3.025 N/A ILE 78.A N VAL 103.A O no hydrogen 2.900 N/A THR 79.A N LEU 7.A O no hydrogen 3.157 N/A HIS 80.A N VAL 105.A O no hydrogen 2.958 N/A HIS 80.A ND1 GLY 81.A O no hydrogen 2.734 N/A HIS 80.A NE2 THR 88.A OG1 no hydrogen 2.714 N/A THR 84.A OG1 SER 49.A O no hydrogen 2.580 N/A MET 85.A N THR 82.A O no hydrogen 3.285 N/A GLU 87.A N THR 84.A O no hydrogen 2.939 N/A THR 88.A N THR 84.A O no hydrogen 3.359 N/A THR 88.A OG1 HIS 80.A NE2 no hydrogen 2.714 N/A ALA 89.A N MET 85.A O no hydrogen 3.075 N/A PHE 90.A N GLU 86.A O no hydrogen 3.191 N/A PHE 91.A N GLU 87.A O no hydrogen 2.984 N/A LEU 92.A N THR 88.A O no hydrogen 2.973 N/A ASN 93.A N ALA 89.A O no hydrogen 2.886 N/A LEU 94.A N PHE 91.A O no hydrogen 3.017 N/A THR 95.A N LEU 92.A O no hydrogen 3.171 N/A VAL 96.A N LEU 92.A O no hydrogen 2.860 N/A LYS 97.A N ASN 65.A OD1 no hydrogen 2.799 N/A LYS 97.A NZ SER 194.A O no hydrogen 3.051 N/A LYS 97.A NZ PHE 196.A O no hydrogen 3.033 N/A LYS 100.A N SER 98.A OG no hydrogen 3.085 N/A LYS 100.A NZ LEU 68.A O no hydrogen 3.402 N/A LYS 100.A NZ THR 73.A O no hydrogen 2.554 N/A VAL 103.A N VAL 76.A O no hydrogen 2.912 N/A LEU 104.A N VAL 140.A O no hydrogen 2.965 N/A VAL 105.A N ILE 78.A O no hydrogen 2.983 N/A MET 108.A N ASP 117.A OD2 no hydrogen 2.635 N/A ARG 109.A N ASP 117.A OD1 no hydrogen 2.856 N/A SER 113.A N PRO 110.A O no hydrogen 3.033 N/A SER 113.A OG MET 114.A O no hydrogen 2.889 N/A ASP 117.A N ASP 117.A OD1 no hydrogen 2.466 N/A ASN 121.A N ASP 117.A O no hydrogen 3.006 N/A ASN 121.A ND2 GLY 106.A O no hydrogen 2.902 N/A LEU 122.A N GLY 118.A O no hydrogen 2.943 N/A TYR 123.A N PRO 119.A O no hydrogen 3.028 N/A ASN 124.A N MET 120.A O no hydrogen 2.957 N/A ALA 125.A N ASN 121.A O no hydrogen 2.731 N/A VAL 126.A N LEU 122.A O no hydrogen 3.015 N/A ASN 127.A N TYR 123.A O no hydrogen 3.300 N/A ASN 127.A ND2 TYR 123.A O no hydrogen 2.690 N/A VAL 128.A N ASN 124.A O no hydrogen 3.057 N/A ALA 129.A N ALA 125.A O no hydrogen 3.000 N/A ILE 130.A N VAL 126.A O no hydrogen 3.294 N/A ASN 131.A N VAL 128.A O no hydrogen 2.895 N/A ALA 133.A N ASN 131.A OD1 no hydrogen 3.000 N/A SER 134.A N ASN 131.A O no hydrogen 2.894 N/A SER 134.A OG VAL 128.A O no hydrogen 2.597 N/A SER 134.A OG ASN 131.A O no hydrogen 3.413 N/A SER 134.A OG TYR 182.A OH no hydrogen 2.655 N/A ASN 136.A N GLN 99.A O no hydrogen 2.969 N/A ASN 136.A ND2 GLN 99.A OE1 no hydrogen 3.230 N/A LYS 137.A N SER 134.A O no hydrogen 3.419 N/A LYS 137.A NZ ALA 133.A O no hydrogen 2.777 N/A VAL 140.A N VAL 102.A O no hydrogen 3.156 N/A ILE 141.A N HIS 148.A O no hydrogen 2.912 N/A VAL 142.A N LEU 104.A O no hydrogen 3.050 N/A MET 143.A N GLU 146.A O no hydrogen 3.321 N/A ASN 144.A N ASN 121.A OD1 no hydrogen 2.916 N/A GLU 146.A N MET 143.A O no hydrogen 2.862 N/A ILE 147.A N GLY 173.A O no hydrogen 2.841 N/A HIS 148.A N ILE 141.A O no hydrogen 2.993 N/A HIS 148.A ND1 SER 166.A OG no hydrogen 2.713 N/A HIS 148.A NE2 GLU 146.A OE1 no hydrogen 2.941 N/A ALA 150.A N VAL 139.A O no hydrogen 3.074 N/A ARG 151.A NE TYR 319.A O no hydrogen 3.180 N/A ARG 151.A NE TYR 319.A OXT no hydrogen 2.869 N/A ARG 151.A NH1 GLU 152.A OE2 no hydrogen 3.356 N/A ARG 151.A NH1 SER 289.A O no hydrogen 3.246 N/A ARG 151.A NH2 TYR 319.A O no hydrogen 2.719 N/A GLU 152.A N ALA 149.A O no hydrogen 3.151 N/A ALA 153.A N ALA 149.A O no hydrogen 3.133 N/A THR 154.A N ALA 165.A O no hydrogen 2.910 N/A THR 154.A OG1 GLU 86.A OE1 no hydrogen 3.404 N/A THR 154.A OG1 GLU 86.A OE2 no hydrogen 2.845 N/A LYS 155.A N GLU 86.A OE1 no hydrogen 3.097 N/A LYS 155.A NZ THR 82.A OG1 no hydrogen 2.821 N/A LYS 155.A NZ ASP 83.A OD1 no hydrogen 3.039 N/A LEU 156.A N ALA 163.A O no hydrogen 2.862 N/A THR 159.A N ASN 157.A OD1 no hydrogen 3.102 N/A ALA 160.A N ASN 157.A OD1 no hydrogen 2.748 N/A ALA 163.A N ALA 160.A O no hydrogen 3.065 N/A ALA 165.A N THR 154.A O no hydrogen 3.163 N/A SER 166.A OG HIS 148.A ND1 no hydrogen 2.713 N/A SER 166.A OG GLY 170.A O no hydrogen 3.439 N/A THR 169.A N SER 166.A O no hydrogen 3.121 N/A THR 169.A OG1 GLY 170.A O no hydrogen 3.379 N/A ILE 172.A N ILE 147.A O no hydrogen 2.634 N/A GLY 173.A N ILE 147.A O no hydrogen 3.225 N/A THR 174.A N GLU 181.A O no hydrogen 2.740 N/A VAL 175.A N ASP 145.A O no hydrogen 2.893 N/A TYR 176.A N LYS 179.A O no hydrogen 2.912 N/A GLY 178.A N ASN 124.A OD1 no hydrogen 2.714 N/A LYS 179.A N TYR 176.A O no hydrogen 2.986 N/A GLU 181.A N THR 174.A O no hydrogen 2.865 N/A TYR 182.A OH SER 134.A OG no hydrogen 2.655 N/A PHE 183.A N ILE 172.A O no hydrogen 2.663 N/A THR 184.A N ILE 172.A O no hydrogen 3.176 N/A SER 186.A OG ARG 188.A O no hydrogen 3.493 N/A ARG 188.A N SER 186.A OG no hydrogen 3.125 N/A THR 191.A N ASN 93.A O no hydrogen 2.656 N/A THR 191.A OG1 HIS 190.A O no hydrogen 2.657 N/A ALA 193.A N HIS 190.A O no hydrogen 2.970 N/A SER 194.A N THR 191.A O no hydrogen 2.654 N/A SER 194.A OG LEU 94.A O no hydrogen 2.665 N/A GLU 195.A N TYR 319.A OH no hydrogen 2.929 N/A PHE 196.A N SER 194.A OG no hydrogen 3.143 N/A SER 199.A N ASP 197.A OD1 no hydrogen 3.170 N/A SER 199.A OG ASP 197.A OD1 no hydrogen 2.517 N/A LYS 200.A NZ ASP 197.A O no hydrogen 2.969 N/A LYS 200.A NZ SER 199.A O no hydrogen 2.419 N/A ILE 201.A N ILE 198.A O no hydrogen 3.256 N/A ARG 206.A NE ASP 208.A OD2 no hydrogen 3.171 N/A ARG 206.A NH2 ASP 208.A OD1 no hydrogen 2.734 N/A ASP 208.A N GLY 231.A O no hydrogen 3.111 N/A LEU 210.A N ILE 233.A O no hydrogen 2.817 N/A ALA 212.A N ALA 235.A O no hydrogen 2.916 N/A HIS 213.A N ASP 216.A OD2 no hydrogen 3.115 N/A HIS 213.A ND1 PRO 214.A O no hydrogen 2.811 N/A THR 217.A N ASP 216.A OD1 no hydrogen 2.659 N/A VAL 219.A N THR 217.A OG1 no hydrogen 3.294 N/A ASN 222.A N ASP 218.A O no hydrogen 3.286 N/A ALA 223.A N VAL 219.A O no hydrogen 2.974 N/A ALA 224.A N LEU 220.A O no hydrogen 3.085 N/A LEU 225.A N VAL 221.A O no hydrogen 2.951 N/A GLN 226.A N ASN 222.A O no hydrogen 2.831 N/A ALA 227.A N ALA 223.A O no hydrogen 2.917 N/A GLY 228.A N LEU 225.A O no hydrogen 3.065 N/A ALA 229.A N ALA 224.A O no hydrogen 3.008 N/A LYS 230.A N ARG 206.A O no hydrogen 2.685 N/A GLY 231.A N ARG 206.A O no hydrogen 3.267 N/A ILE 232.A N VAL 259.A O no hydrogen 2.887 N/A ILE 233.A N ASP 208.A O no hydrogen 2.718 N/A HIS 234.A N ALA 261.A O no hydrogen 2.965 N/A ALA 235.A N LEU 210.A O no hydrogen 2.659 N/A GLY 236.A N SER 263.A O no hydrogen 3.092 N/A MET 237.A N ASN 241.A O no hydrogen 2.808 N/A ASN 239.A ND2 THR 272.A OG1 no hydrogen 2.878 N/A GLY 240.A N GLY 238.A O no hydrogen 2.761 N/A ASN 241.A N MET 237.A O no hydrogen 2.874 N/A ASN 241.A ND2 MET 237.A O no hydrogen 3.615 N/A GLN 247.A N PHE 243.A O no hydrogen 3.052 N/A ASN 248.A N PRO 244.A O no hydrogen 3.261 N/A ALA 249.A N LEU 245.A O no hydrogen 3.227 N/A LEU 250.A N THR 246.A O no hydrogen 2.674 N/A GLU 251.A N GLN 247.A O no hydrogen 2.828 N/A LYS 252.A N ASN 248.A O no hydrogen 3.080 N/A ALA 253.A N ALA 249.A O no hydrogen 3.230 N/A ALA 254.A N LEU 250.A O no hydrogen 3.271 N/A LYS 255.A N GLU 251.A O no hydrogen 3.355 N/A LYS 255.A N LYS 252.A O no hydrogen 3.200 N/A LYS 255.A NZ GLU 251.A OE2 no hydrogen 3.380 N/A SER 256.A N LYS 252.A O no hydrogen 3.004 N/A SER 256.A OG LYS 252.A O no hydrogen 2.955 N/A GLY 257.A N ALA 254.A O no hydrogen 3.221 N/A VAL 258.A N ALA 253.A O no hydrogen 2.853 N/A VAL 259.A N LYS 230.A O no hydrogen 2.762 N/A ALA 261.A N ILE 232.A O no hydrogen 3.046 N/A ARG 262.A N VAL 285.A O no hydrogen 2.691 N/A ARG 262.A NE ASP 279.A OD1 no hydrogen 2.906 N/A ARG 262.A NH1 ASN 239.A O no hydrogen 3.322 N/A ARG 262.A NH1 GLY 240.A O no hydrogen 2.888 N/A ARG 262.A NH2 THR 272.A O no hydrogen 2.951 N/A ARG 262.A NH2 ASP 279.A OD2 no hydrogen 2.988 N/A SER 263.A N HIS 234.A O no hydrogen 2.806 N/A SER 263.A OG THR 287.A OG1 no hydrogen 3.402 N/A SER 263.A OG LEU 290.A O no hydrogen 3.218 N/A SER 264.A OG GLY 236.A O no hydrogen 3.317 N/A SER 264.A OG GLY 238.A O no hydrogen 2.496 N/A ARG 265.A N GLY 236.A O no hydrogen 2.842 N/A ARG 265.A NE ALA 212.A O no hydrogen 3.151 N/A ARG 265.A NH2 ALA 212.A O no hydrogen 3.125 N/A VAL 266.A N SER 264.A OG no hydrogen 3.255 N/A GLY 269.A N ASN 168.A OD1 no hydrogen 2.853 N/A THR 271.A N GLU 288.A O no hydrogen 3.041 N/A THR 272.A N ASN 239.A OD1 no hydrogen 3.135 N/A GLN 273.A NE2 GLU 288.A OE2 no hydrogen 3.180 N/A LYS 281.A N ASP 278.A OD1 no hydrogen 3.474 N/A LEU 282.A N ASP 278.A O no hydrogen 3.118 N/A GLY 283.A N ASP 279.A O no hydrogen 2.582 N/A PHE 284.A N ASP 279.A O no hydrogen 2.994 N/A VAL 285.A N VAL 260.A O no hydrogen 2.853 N/A ALA 286.A N GLN 313.A OE1 no hydrogen 2.838 N/A THR 287.A N ARG 262.A O no hydrogen 2.922 N/A THR 287.A OG1 ARG 262.A O no hydrogen 2.890 N/A LEU 290.A N GLU 288.A O no hydrogen 2.735 N/A ASN 291.A ND2 GLU 86.A OE2 no hydrogen 3.155 N/A GLN 293.A N GLN 293.A OE1 no hydrogen 2.881 N/A LYS 294.A N ASN 291.A O no hydrogen 3.277 N/A LYS 294.A N ASN 291.A OD1 no hydrogen 2.814 N/A LYS 294.A NZ ARG 151.A O no hydrogen 2.651 N/A LYS 294.A NZ ALA 153.A O no hydrogen 2.781 N/A ALA 295.A N ASN 291.A O no hydrogen 2.787 N/A ARG 296.A N PRO 292.A O no hydrogen 3.097 N/A ARG 296.A NE VAL 207.A O no hydrogen 2.930 N/A LEU 298.A N LYS 294.A O no hydrogen 3.183 N/A LEU 299.A N ALA 295.A O no hydrogen 2.964 N/A MET 300.A N ARG 296.A O no hydrogen 2.902 N/A LEU 301.A N VAL 297.A O no hydrogen 3.112 N/A ALA 302.A N LEU 298.A O no hydrogen 2.770 N/A LEU 303.A N LEU 299.A O no hydrogen 2.832 N/A THR 304.A N LEU 301.A O no hydrogen 3.152 N/A THR 304.A OG1 LEU 301.A O no hydrogen 2.740 N/A LYS 305.A N ALA 302.A O no hydrogen 3.108 N/A LYS 305.A NZ GLU 195.A OE2 no hydrogen 3.357 N/A ASP 308.A N THR 306.A OG1 no hydrogen 3.337 N/A ARG 309.A NH1 PHE 284.A O no hydrogen 2.906 N/A ARG 309.A NH2 GLU 310.A OE2 no hydrogen 3.129 N/A ALA 311.A N ASP 308.A OD2 no hydrogen 3.402 N/A ILE 312.A N ASP 308.A O no hydrogen 2.897 N/A GLN 313.A N ARG 309.A O no hydrogen 3.048 N/A GLN 313.A NE2 ALA 286.A O no hydrogen 2.955 N/A GLN 313.A NE2 GLN 313.A O no hydrogen 2.873 N/A GLN 313.A NE2 SER 317.A OG no hydrogen 3.254 N/A LYS 314.A N GLU 310.A O no hydrogen 3.121 N/A ILE 315.A N ALA 311.A O no hydrogen 3.171 N/A PHE 316.A N ILE 312.A O no hydrogen 3.060 N/A SER 317.A N GLN 313.A O no hydrogen 2.895 N/A SER 317.A OG GLN 313.A O no hydrogen 2.769 N/A THR 318.A N ILE 315.A O no hydrogen 2.859 N/A THR 318.A OG1 LYS 314.A O no hydrogen 2.344 N/A TYR 319.A N ILE 315.A O no hydrogen 2.873 N/A TYR 319.A OH GLU 195.A OE1 no hydrogen 2.837 N/A