Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wxd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N SER 32.A O no hydrogen 2.742 N/A VAL 6.A N GLU 34.A O no hydrogen 3.154 N/A LEU 7.A N ASN 58.A O no hydrogen 2.770 N/A HIS 9.A N LEU 61.A O no hydrogen 2.863 N/A HIS 9.A ND1 ASP 37.A OD2 no hydrogen 3.267 N/A SER 14.A N VAL 11.A O no hydrogen 2.883 N/A SER 16.A N SER 14.A OG no hydrogen 3.230 N/A MET 19.A N LEU 15.A O no hydrogen 3.063 N/A HIS 20.A N SER 16.A O no hydrogen 2.860 N/A ALA 21.A N PRO 17.A O no hydrogen 2.954 N/A PHE 22.A N ALA 18.A O no hydrogen 3.208 N/A ALA 23.A N MET 19.A O no hydrogen 2.920 N/A LEU 24.A N HIS 20.A O no hydrogen 2.927 N/A GLU 25.A N ALA 21.A O no hydrogen 3.132 N/A SER 26.A N PHE 22.A O no hydrogen 2.785 N/A SER 26.A OG PHE 22.A O no hydrogen 2.934 N/A SER 26.A OG ALA 23.A O no hydrogen 2.842 N/A LEU 27.A N ALA 23.A O no hydrogen 3.050 N/A LEU 27.A N LEU 24.A O no hydrogen 3.134 N/A GLY 28.A N GLU 25.A O no hydrogen 2.856 N/A LEU 29.A N LEU 24.A O no hydrogen 2.777 N/A SER 32.A N LEU 2.A O no hydrogen 3.153 N/A GLU 34.A N PHE 4.A O no hydrogen 3.278 N/A TRP 36.A N VAL 6.A O no hydrogen 3.082 N/A THR 38.A N GLY 8.A O no hydrogen 2.663 N/A THR 38.A OG1 TRP 36.A O no hydrogen 2.650 N/A ALA 42.A N PRO 39.A O no hydrogen 2.934 N/A LEU 43.A N LEU 40.A O no hydrogen 3.193 N/A ARG 46.A N ALA 42.A O no hydrogen 3.088 N/A ARG 46.A NE GLU 49.A OE1 no hydrogen 3.091 N/A ARG 46.A NH2 GLU 49.A OE1 no hydrogen 3.357 N/A LEU 47.A N LEU 43.A O no hydrogen 3.065 N/A LYS 48.A N GLY 45.A O no hydrogen 3.102 N/A GLU 49.A N GLY 45.A O no hydrogen 3.228 N/A VAL 50.A N ARG 46.A O no hydrogen 2.881 N/A ARG 51.A N LEU 47.A O no hydrogen 3.073 N/A ARG 52.A N GLU 49.A O no hydrogen 2.954 N/A ALA 53.A N VAL 50.A O no hydrogen 3.217 N/A PHE 54.A N VAL 50.A O no hydrogen 2.849 N/A ARG 55.A N ARG 3.A O no hydrogen 3.118 N/A ARG 55.A NE TRP 243.A O no hydrogen 2.779 N/A ARG 55.A NH2 TRP 243.A O no hydrogen 2.791 N/A VAL 57.A N VAL 87.A O no hydrogen 3.010 N/A ASN 58.A N ALA 5.A O no hydrogen 2.998 N/A ASN 58.A ND2 TYR 33.A OH no hydrogen 2.723 N/A LEU 59.A N ASN 85.A O no hydrogen 2.888 N/A THR 60.A N LEU 7.A O no hydrogen 2.963 N/A THR 60.A OG1 LEU 7.A O no hydrogen 3.391 N/A LEU 63.A N THR 60.A O no hydrogen 2.786 N/A LYS 64.A NZ ASP 100.A OD2 no hydrogen 2.638 N/A ALA 67.A N LEU 63.A O no hydrogen 2.965 N/A HIS 70.A N ALA 67.A O no hydrogen 2.851 N/A LEU 71.A N LEU 68.A O no hydrogen 3.306 N/A ASP 72.A N LEU 94.A O no hydrogen 2.925 N/A TRP 73.A N LEU 94.A O no hydrogen 3.354 N/A SER 75.A N GLY 96.A O no hydrogen 2.944 N/A SER 75.A OG GLU 77.A OE1 no hydrogen 3.478 N/A GLU 77.A N GLU 77.A OE1 no hydrogen 2.544 N/A ALA 78.A N SER 75.A OG no hydrogen 2.940 N/A GLN 79.A N SER 75.A O no hydrogen 2.811 N/A ARG 80.A N PRO 76.A O no hydrogen 2.982 N/A ILE 81.A N GLU 77.A O no hydrogen 2.859 N/A GLY 82.A N ALA 78.A O no hydrogen 2.726 N/A VAL 84.A N LYS 64.A O no hydrogen 2.837 N/A ASN 85.A N PHE 97.A O no hydrogen 3.174 N/A ASN 85.A ND2 PHE 97.A O no hydrogen 3.317 N/A THR 86.A N PHE 97.A O no hydrogen 3.143 N/A THR 86.A OG1 ASN 58.A OD1 no hydrogen 3.097 N/A THR 86.A OG1 THR 99.A OG1 no hydrogen 3.159 N/A VAL 87.A N VAL 57.A O no hydrogen 2.814 N/A LEU 88.A N PHE 95.A O no hydrogen 2.890 N/A GLN 89.A N ARG 55.A O no hydrogen 2.861 N/A GLN 89.A NE2 PHE 54.A O no hydrogen 2.918 N/A VAL 90.A N ARG 93.A O no hydrogen 3.045 N/A GLY 92.A N GLN 89.A OE1 no hydrogen 2.836 N/A ARG 93.A N VAL 90.A O no hydrogen 2.697 N/A LEU 94.A N ASP 72.A OD2 no hydrogen 2.630 N/A PHE 95.A N LEU 88.A O no hydrogen 2.949 N/A GLY 96.A N TRP 73.A O no hydrogen 2.809 N/A PHE 97.A N THR 86.A O no hydrogen 2.751 N/A ASN 98.A ND2 ALA 83.A O no hydrogen 2.949 N/A THR 99.A OG1 ASN 85.A OD1 no hydrogen 2.784 N/A THR 99.A OG1 THR 86.A OG1 no hydrogen 3.159 N/A THR 99.A OG1 GLN 235.A O no hydrogen 2.765 N/A ALA 101.A N ASN 98.A OD1 no hydrogen 2.994 N/A GLY 103.A N THR 99.A O no hydrogen 2.827 N/A PHE 104.A N ASP 100.A O no hydrogen 2.786 N/A LEU 105.A N ALA 101.A O no hydrogen 3.401 N/A GLU 106.A N PRO 102.A O no hydrogen 3.110 N/A ALA 107.A N GLY 103.A O no hydrogen 2.978 N/A LEU 108.A N PHE 104.A O no hydrogen 3.092 N/A LYS 109.A N LEU 105.A O no hydrogen 3.049 N/A ALA 110.A N GLU 106.A O no hydrogen 2.780 N/A GLY 111.A N ALA 107.A O no hydrogen 2.868 N/A GLY 112.A N LYS 109.A O no hydrogen 2.963 N/A ILE 113.A N LEU 108.A O no hydrogen 2.837 N/A ALA 119.A N GLU 141.A O no hydrogen 2.879 N/A LEU 120.A N LEU 174.A O no hydrogen 2.772 N/A VAL 121.A N TRP 143.A O no hydrogen 2.990 N/A LEU 122.A N VAL 176.A O no hydrogen 2.829 N/A GLY 123.A N TRP 145.A O no hydrogen 2.847 N/A ALA 124.A N ASN 146.A OD1 no hydrogen 2.762 N/A ARG 129.A N GLY 125.A O no hydrogen 2.945 N/A ARG 129.A NE ILE 81.A O no hydrogen 2.752 N/A ARG 129.A NH1 GLU 158.A OE1 no hydrogen 2.923 N/A ARG 129.A NH2 ARG 80.A O no hydrogen 3.209 N/A ARG 129.A NH2 ILE 81.A O no hydrogen 3.279 N/A ARG 129.A NH2 GLU 158.A OE1 no hydrogen 3.550 N/A ARG 129.A NH2 GLU 158.A OE2 no hydrogen 2.685 N/A ALA 130.A N GLY 126.A O no hydrogen 3.127 N/A VAL 131.A N ALA 127.A O no hydrogen 3.150 N/A ALA 132.A N GLY 128.A O no hydrogen 2.807 N/A PHE 133.A N ARG 129.A O no hydrogen 2.902 N/A ALA 134.A N ALA 130.A O no hydrogen 3.129 N/A LEU 135.A N VAL 131.A O no hydrogen 2.971 N/A ARG 136.A N ALA 132.A O no hydrogen 2.947 N/A ARG 136.A NH1 PHE 159.A O no hydrogen 2.873 N/A GLU 137.A N PHE 133.A O no hydrogen 2.947 N/A ALA 138.A N ALA 134.A O no hydrogen 2.935 N/A GLY 139.A N ARG 136.A O no hydrogen 2.896 N/A LEU 140.A N LEU 135.A O no hydrogen 3.171 N/A TRP 143.A N ALA 119.A O no hydrogen 2.766 N/A TRP 143.A NE1 GLU 141.A OE1 no hydrogen 3.053 N/A VAL 144.A N ARG 162.A O no hydrogen 2.966 N/A TRP 145.A N VAL 121.A O no hydrogen 3.107 N/A ASN 146.A ND2 THR 148.A O no hydrogen 2.965 N/A LEU 153.A N PRO 149.A O no hydrogen 3.001 N/A ALA 154.A N GLN 150.A O no hydrogen 2.830 N/A LEU 155.A N ARG 151.A O no hydrogen 2.983 N/A ALA 156.A N ALA 152.A O no hydrogen 2.965 N/A GLU 157.A N LEU 153.A O no hydrogen 3.148 N/A GLU 158.A N ALA 154.A O no hydrogen 2.887 N/A PHE 159.A N LEU 155.A O no hydrogen 2.850 N/A LEU 161.A N ALA 156.A O no hydrogen 2.617 N/A ARG 162.A N VAL 142.A O no hydrogen 3.229 N/A VAL 164.A N VAL 144.A O no hydrogen 2.993 N/A LYS 168.A N PRO 165.A O no hydrogen 2.967 N/A LYS 168.A NZ GLU 171.A OE2 no hydrogen 2.685 N/A ALA 169.A N LEU 166.A O no hydrogen 2.947 N/A ARG 170.A N GLU 167.A O no hydrogen 3.251 N/A GLU 171.A N LYS 168.A O no hydrogen 2.998 N/A ALA 172.A N ALA 169.A O no hydrogen 3.159 N/A ARG 173.A N PRO 118.A O no hydrogen 2.787 N/A ARG 173.A NH1 ARG 170.A O no hydrogen 3.195 N/A ARG 173.A NH1 ALA 172.A O no hydrogen 3.170 N/A LEU 174.A N PRO 118.A O no hydrogen 3.296 N/A LEU 175.A N ALA 201.A O no hydrogen 2.903 N/A VAL 176.A N LEU 120.A O no hydrogen 3.016 N/A ASN 177.A N VAL 203.A O no hydrogen 2.961 N/A ASN 177.A ND2 THR 179.A O no hydrogen 3.677 N/A ASN 177.A ND2 VAL 181.A O no hydrogen 3.657 N/A ASN 177.A ND2 ASP 204.A OD2 no hydrogen 2.821 N/A ALA 178.A N LEU 122.A O no hydrogen 2.693 N/A THR 179.A N ASN 177.A OD1 no hydrogen 3.086 N/A THR 179.A OG1 ASN 177.A OD1 no hydrogen 2.515 N/A VAL 181.A N THR 179.A OG1 no hydrogen 3.200 N/A LEU 183.A N ARG 180.A O no hydrogen 2.952 N/A GLU 184.A N ARG 208.A O no hydrogen 2.610 N/A ASP 185.A N GLY 182.A O no hydrogen 3.026 N/A SER 187.A N ASP 185.A OD1 no hydrogen 3.094 N/A SER 187.A OG ASP 185.A OD1 no hydrogen 2.679 N/A ALA 188.A N ASP 185.A O no hydrogen 3.042 N/A SER 189.A OG LEU 191.A O no hydrogen 3.162 N/A SER 189.A OG GLU 217.A OE1 no hydrogen 2.770 N/A LEU 191.A N SER 189.A OG no hydrogen 3.307 N/A LEU 195.A N PRO 192.A O no hydrogen 2.957 N/A PHE 196.A N ALA 193.A O no hydrogen 3.246 N/A ALA 201.A N ARG 173.A O no hydrogen 2.789 N/A ALA 202.A N LYS 224.A O no hydrogen 2.811 N/A VAL 203.A N LEU 175.A O no hydrogen 2.733 N/A ASP 204.A N GLN 226.A O no hydrogen 3.236 N/A LEU 205.A N ASN 177.A O no hydrogen 3.241 N/A VAL 206.A N ASP 204.A OD2 no hydrogen 2.898 N/A ARG 208.A NH1 HIS 13.A O no hydrogen 3.201 N/A ARG 208.A NH2 HIS 13.A O no hydrogen 2.341 N/A THR 212.A OG1 ASP 204.A OD1 no hydrogen 2.586 N/A ARG 213.A NH1 SER 187.A O no hydrogen 2.720 N/A LEU 215.A N THR 212.A OG1 no hydrogen 3.161 N/A ARG 216.A N THR 212.A O no hydrogen 3.029 N/A ARG 216.A NE TRP 211.A O no hydrogen 3.034 N/A GLU 217.A N ARG 213.A O no hydrogen 2.927 N/A ALA 218.A N PHE 214.A O no hydrogen 3.040 N/A LYS 219.A N LEU 215.A O no hydrogen 2.791 N/A ALA 220.A N ARG 216.A O no hydrogen 2.941 N/A LYS 221.A N GLU 217.A O no hydrogen 3.081 N/A LYS 221.A N ALA 218.A O no hydrogen 2.957 N/A GLY 222.A N LYS 219.A O no hydrogen 2.937 N/A LEU 223.A N ALA 218.A O no hydrogen 3.062 N/A LYS 224.A N GLY 200.A O no hydrogen 3.067 N/A LYS 224.A NZ GLY 111.A O no hydrogen 3.329 N/A GLN 226.A N ALA 202.A O no hydrogen 2.973 N/A GLN 226.A NE2 ALA 107.A O no hydrogen 3.050 N/A LEU 229.A N THR 227.A OG1 no hydrogen 3.410 N/A LEU 232.A N GLY 228.A O no hydrogen 3.163 N/A ALA 233.A N LEU 229.A O no hydrogen 2.800 N/A TRP 234.A N PRO 230.A O no hydrogen 2.888 N/A GLN 235.A N MET 231.A O no hydrogen 2.937 N/A GLN 235.A NE2 LEU 232.A O no hydrogen 2.847 N/A GLY 236.A N LEU 232.A O no hydrogen 3.246 N/A ALA 237.A N ALA 233.A O no hydrogen 2.795 N/A LEU 238.A N TRP 234.A O no hydrogen 2.879 N/A ALA 239.A N GLN 235.A O no hydrogen 3.154 N/A PHE 240.A N GLY 236.A O no hydrogen 2.869 N/A ARG 241.A N ALA 237.A O no hydrogen 3.022 N/A LEU 242.A N LEU 238.A O no hydrogen 2.914 N/A TRP 243.A N ALA 239.A O no hydrogen 2.904 N/A TRP 243.A NE1 VAL 87.A O no hydrogen 2.803 N/A THR 244.A N PHE 240.A O no hydrogen 2.883 N/A THR 244.A OG1 PHE 240.A O no hydrogen 3.009 N/A GLY 245.A N ARG 241.A O no hydrogen 2.593 N/A LEU 246.A N THR 244.A OG1 no hydrogen 3.086 N/A GLY 252.A N ASP 249.A OD2 no hydrogen 2.709 N/A MET 253.A N ASP 249.A O no hydrogen 3.006 N/A GLU 254.A N PRO 250.A O no hydrogen 2.893 N/A GLU 255.A N SER 251.A O no hydrogen 2.894 N/A ALA 256.A N GLY 252.A O no hydrogen 2.951 N/A ALA 257.A N MET 253.A O no hydrogen 2.897 N/A ARG 258.A N GLU 254.A O no hydrogen 2.804 N/A ARG 259.A N GLU 255.A O no hydrogen 2.977 N/A ALA 260.A N ALA 256.A O no hydrogen 3.107 N/A ALA 260.A N ALA 257.A O no hydrogen 2.980 N/A LEU 261.A N ARG 258.A O no hydrogen 2.796 N/A