Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2nw8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE GLY 8.A O no hydrogen 2.940 N/A ARG 3.A NH2 TYR 9.A O no hydrogen 2.829 N/A THR 5.A N GLY 2.A O no hydrogen 3.290 N/A THR 5.A OG1 GLY 2.A O no hydrogen 3.035 N/A GLY 8.A N THR 5.A OG1 no hydrogen 2.914 N/A TYR 9.A N THR 5.A O no hydrogen 2.857 N/A LEU 10.A N TYR 6.A O no hydrogen 3.231 N/A ARG 11.A N GLY 8.A O no hydrogen 3.240 N/A LEU 12.A N GLY 7.A O no hydrogen 2.979 N/A GLN 14.A N ARG 11.A O no hydrogen 3.184 N/A LEU 15.A N ARG 11.A O no hydrogen 2.967 N/A LEU 16.A N LEU 12.A O no hydrogen 2.742 N/A SER 17.A OG ASP 13.A O no hydrogen 2.685 N/A SER 17.A OG GLN 14.A O no hydrogen 3.166 N/A GLN 19.A NE2 LEU 15.A O no hydrogen 3.590 N/A LEU 22.A N GLU 30.A OE2 no hydrogen 2.779 N/A SER 23.A N GLU 30.A OE1 no hydrogen 2.932 N/A SER 23.A OG PRO 25.A O no hydrogen 3.356 N/A SER 23.A OG GLU 30.A OE1 no hydrogen 2.583 N/A HIS 27.A N SER 23.A OG no hydrogen 2.677 N/A ASP 29.A N HIS 27.A ND1 no hydrogen 3.015 N/A GLU 30.A N HIS 27.A O no hydrogen 3.112 N/A PHE 33.A N ASP 29.A O no hydrogen 3.267 N/A ILE 34.A N GLU 30.A O no hydrogen 3.003 N/A ILE 35.A N MET 31.A O no hydrogen 2.880 N/A GLN 36.A N LEU 32.A O no hydrogen 2.801 N/A GLN 36.A NE2 GLN 83.A O no hydrogen 2.879 N/A HIS 37.A N PHE 33.A O no hydrogen 3.467 N/A HIS 37.A ND1 PHE 33.A O no hydrogen 2.698 N/A GLN 38.A N ILE 34.A O no hydrogen 2.888 N/A GLN 38.A NE2 ALA 18.A O no hydrogen 2.959 N/A THR 39.A N ILE 35.A O no hydrogen 2.880 N/A THR 39.A OG1 ILE 35.A O no hydrogen 2.900 N/A THR 39.A OG1 GLN 36.A O no hydrogen 3.090 N/A SER 40.A N GLN 36.A O no hydrogen 3.304 N/A SER 40.A OG GLN 36.A O no hydrogen 2.948 N/A GLU 41.A N HIS 37.A O no hydrogen 2.772 N/A LEU 42.A N GLN 38.A O no hydrogen 3.012 N/A TRP 43.A N THR 39.A O no hydrogen 2.992 N/A LEU 44.A N SER 40.A O no hydrogen 2.829 N/A LYS 45.A N GLU 41.A O no hydrogen 2.942 N/A LEU 46.A N LEU 42.A O no hydrogen 3.046 N/A LEU 47.A N TRP 43.A O no hydrogen 2.749 N/A ALA 48.A N LEU 44.A O no hydrogen 2.944 N/A HIS 49.A N LYS 45.A O no hydrogen 3.060 N/A GLU 50.A N LEU 46.A O no hydrogen 2.846 N/A LEU 51.A N LEU 47.A O no hydrogen 2.774 N/A ARG 52.A N ALA 48.A O no hydrogen 2.956 N/A ALA 53.A N HIS 49.A O no hydrogen 3.445 N/A ALA 54.A N GLU 50.A O no hydrogen 2.927 N/A ILE 55.A N LEU 51.A O no hydrogen 3.014 N/A VAL 56.A N ARG 52.A O no hydrogen 3.174 N/A HIS 57.A N ALA 53.A O no hydrogen 2.942 N/A HIS 57.A ND1 GLU 62.A OE2 no hydrogen 2.656 N/A LEU 58.A N ALA 54.A O no hydrogen 3.023 N/A GLN 59.A N ILE 55.A O no hydrogen 2.967 N/A GLN 59.A NE2 GLU 153.A OE1 no hydrogen 3.076 N/A ARG 60.A N VAL 56.A O no hydrogen 3.120 N/A ARG 60.A N HIS 57.A O no hydrogen 3.093 N/A ASP 61.A N LEU 58.A O no hydrogen 3.028 N/A GLU 62.A N HIS 57.A O no hydrogen 2.775 N/A CYS 66.A N GLU 62.A O no hydrogen 2.970 N/A CYS 66.A SG ALA 54.A O no hydrogen 3.707 N/A ARG 67.A N VAL 63.A O no hydrogen 2.868 N/A ARG 67.A NE ASP 207.A OD2 no hydrogen 2.715 N/A ARG 67.A NH2 ASP 207.A OD1 no hydrogen 3.196 N/A LYS 68.A N TRP 64.A O no hydrogen 2.879 N/A VAL 69.A N GLN 65.A O no hydrogen 3.018 N/A LEU 70.A N CYS 66.A O no hydrogen 2.857 N/A ALA 71.A N ARG 67.A O no hydrogen 2.846 N/A ARG 72.A N LYS 68.A O no hydrogen 3.191 N/A ARG 72.A NH1 GLU 50.A OE2 no hydrogen 3.054 N/A SER 73.A N VAL 69.A O no hydrogen 2.981 N/A SER 73.A OG VAL 69.A O no hydrogen 2.971 N/A LYS 74.A N LEU 70.A O no hydrogen 2.855 N/A LYS 74.A NZ ASP 207.A OD1 no hydrogen 2.752 N/A LYS 74.A NZ ASP 210.A OD2 no hydrogen 2.819 N/A GLN 75.A N ALA 71.A O no hydrogen 3.126 N/A VAL 76.A N ARG 72.A O no hydrogen 2.914 N/A LEU 77.A N SER 73.A O no hydrogen 2.958 N/A ARG 78.A N LYS 74.A O no hydrogen 2.860 N/A GLN 79.A N GLN 75.A O no hydrogen 3.089 N/A GLN 79.A NE2 GLN 75.A O no hydrogen 3.294 N/A LEU 80.A N VAL 76.A O no hydrogen 3.005 N/A THR 81.A N LEU 77.A O no hydrogen 2.920 N/A THR 81.A OG1 LEU 77.A O no hydrogen 2.806 N/A GLU 82.A N ARG 78.A O no hydrogen 2.745 N/A GLN 83.A N GLN 79.A O no hydrogen 3.007 N/A GLN 83.A NE2 THR 39.A OG1 no hydrogen 2.973 N/A TRP 84.A N THR 81.A O no hydrogen 3.408 N/A SER 85.A N GLU 82.A O no hydrogen 3.063 N/A SER 85.A OG GLU 82.A O no hydrogen 3.345 N/A VAL 86.A N GLN 83.A O no hydrogen 2.915 N/A GLU 88.A N TRP 84.A O no hydrogen 3.012 N/A THR 89.A N VAL 86.A O no hydrogen 3.046 N/A THR 89.A OG1 VAL 86.A O no hydrogen 2.675 N/A LEU 90.A N LEU 87.A O no hydrogen 2.911 N/A THR 91.A N GLU 94.A OE1 no hydrogen 3.162 N/A THR 91.A OG1 SER 93.A OG no hydrogen 2.907 N/A SER 93.A OG THR 91.A OG1 no hydrogen 2.907 N/A GLU 94.A N THR 91.A O no hydrogen 3.036 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.352 N/A TYR 95.A N THR 91.A O no hydrogen 2.918 N/A MET 96.A N PRO 92.A O no hydrogen 2.926 N/A GLY 97.A N GLU 94.A O no hydrogen 2.944 N/A PHE 98.A N TYR 95.A O no hydrogen 2.987 N/A ARG 99.A N TYR 95.A O no hydrogen 2.911 N/A ARG 99.A NH1 ARG 234.A O no hydrogen 3.078 N/A VAL 101.A N PHE 98.A O no hydrogen 3.029 N/A LEU 102.A N ARG 99.A O no hydrogen 3.267 N/A PHE 108.A N SER 106.A OG no hydrogen 3.257 N/A GLN 109.A N SER 106.A O no hydrogen 2.904 N/A SER 110.A N GLY 107.A O no hydrogen 2.954 N/A SER 110.A OG GLU 41.A OE2 no hydrogen 2.687 N/A TYR 113.A N SER 110.A OG no hydrogen 3.225 N/A TYR 113.A OH GLU 117.A OE2 no hydrogen 2.636 N/A ARG 114.A N SER 110.A O no hydrogen 3.166 N/A TYR 115.A N LEU 111.A O no hydrogen 2.938 N/A ILE 116.A N GLN 112.A O no hydrogen 3.172 N/A GLU 117.A N TYR 113.A O no hydrogen 3.023 N/A PHE 118.A N ARG 114.A O no hydrogen 2.918 N/A LEU 119.A N TYR 115.A O no hydrogen 2.884 N/A LEU 120.A N ILE 116.A O no hydrogen 2.901 N/A GLY 121.A N PHE 118.A O no hydrogen 2.952 N/A ASN 122.A N GLU 117.A O no hydrogen 2.894 N/A ASN 122.A ND2 GLU 117.A OE1 no hydrogen 2.999 N/A LYS 123.A N GLY 121.A O no hydrogen 2.702 N/A LYS 123.A NZ VAL 144.A O no hydrogen 3.129 N/A LYS 123.A NZ LEU 145.A O no hydrogen 2.887 N/A LYS 123.A NZ ALA 147.A O no hydrogen 2.740 N/A LYS 123.A NZ TRP 174.A O no hydrogen 2.994 N/A MET 127.A N ASN 124.A O no hydrogen 2.744 N/A LEU 128.A N PRO 125.A O no hydrogen 3.016 N/A ALA 132.A N GLN 129.A O no hydrogen 2.824 N/A ASP 134.A N PHE 131.A O no hydrogen 2.989 N/A GLY 137.A N ASP 134.A OD2 no hydrogen 2.901 N/A GLN 138.A N ASP 134.A O no hydrogen 3.014 N/A GLN 138.A NE2 LEU 128.A O no hydrogen 2.724 N/A ALA 139.A N PRO 135.A O no hydrogen 2.866 N/A ALA 139.A N ALA 136.A O no hydrogen 3.132 N/A ARG 140.A N ALA 136.A O no hydrogen 3.406 N/A LEU 141.A N GLY 137.A O no hydrogen 3.078 N/A ARG 142.A N GLN 138.A O no hydrogen 3.076 N/A GLU 143.A N ALA 139.A O no hydrogen 3.162 N/A LEU 145.A N LEU 141.A O no hydrogen 2.947 N/A GLU 146.A N ARG 142.A O no hydrogen 2.849 N/A GLU 146.A N GLU 143.A O no hydrogen 3.116 N/A ALA 147.A N VAL 144.A O no hydrogen 3.195 N/A SER 149.A N GLU 152.A OE1 no hydrogen 2.789 N/A LEU 150.A N LEU 119.A O no hydrogen 2.877 N/A TYR 151.A OH GLU 256.A OE1 no hydrogen 2.634 N/A GLU 152.A N SER 149.A OG no hydrogen 3.083 N/A GLU 153.A N SER 149.A O no hydrogen 2.909 N/A PHE 154.A N LEU 150.A O no hydrogen 3.072 N/A LEU 155.A N TYR 151.A O no hydrogen 3.008 N/A ARG 156.A N GLU 152.A O no hydrogen 2.926 N/A ARG 156.A NE GLU 153.A OE2 no hydrogen 3.119 N/A ARG 156.A NH1 TYR 169.A O no hydrogen 2.965 N/A ARG 156.A NH1 GLN 170.A O no hydrogen 3.055 N/A TYR 157.A N GLU 153.A O no hydrogen 2.910 N/A LEU 158.A N PHE 154.A O no hydrogen 2.966 N/A ALA 159.A N LEU 155.A O no hydrogen 2.943 N/A ARG 160.A N ARG 156.A O no hydrogen 3.079 N/A ARG 160.A NE ASP 61.A OD2 no hydrogen 2.862 N/A ARG 160.A NH2 ASP 61.A OD2 no hydrogen 3.032 N/A PHE 161.A N LEU 158.A O no hydrogen 3.118 N/A GLY 162.A N ALA 159.A O no hydrogen 3.188 N/A HIS 163.A N LEU 158.A O no hydrogen 3.130 N/A HIS 163.A NE2 GLU 201.A OE2 no hydrogen 2.808 N/A ILE 165.A N HIS 163.A O no hydrogen 2.759 N/A TYR 169.A N PRO 166.A O no hydrogen 3.153 N/A TYR 169.A OH ASP 181.A OD2 no hydrogen 2.645 N/A GLN 170.A N GLN 167.A O no hydrogen 2.937 N/A ALA 171.A N GLN 168.A O no hydrogen 3.194 N/A ARG 172.A NH2 ALA 176.A O no hydrogen 2.613 N/A THR 175.A N ASP 173.A OD2 no hydrogen 3.245 N/A THR 175.A OG1 ASP 173.A OD1 no hydrogen 3.308 N/A THR 175.A OG1 ASP 173.A OD2 no hydrogen 2.619 N/A ALA 176.A N ASP 173.A O no hydrogen 3.196 N/A HIS 178.A NE2 GLU 256.A OE2 no hydrogen 2.686 N/A ASP 181.A N GLU 256.A OE2 no hydrogen 2.663 N/A THR 183.A N ASP 181.A OD1 no hydrogen 2.956 N/A THR 183.A OG1 ASP 181.A OD1 no hydrogen 2.579 N/A THR 183.A OG1 ASP 181.A OD2 no hydrogen 3.277 N/A LEU 184.A N ASP 181.A O no hydrogen 3.149 N/A ARG 185.A N ASP 182.A O no hydrogen 3.134 N/A ARG 185.A NH1 ASP 259.A O no hydrogen 3.352 N/A ARG 185.A NH2 ASP 259.A O no hydrogen 3.096 N/A ARG 185.A NH2 THR 262.A OG1 no hydrogen 3.348 N/A ARG 185.A NH2 SER 263.A OG no hydrogen 2.750 N/A PHE 188.A N LEU 184.A O no hydrogen 3.164 N/A GLU 189.A N ARG 185.A O no hydrogen 2.878 N/A ARG 190.A N PRO 186.A O no hydrogen 3.147 N/A ILE 191.A N VAL 187.A O no hydrogen 3.385 N/A TYR 192.A N PHE 188.A O no hydrogen 3.026 N/A TYR 192.A OH GLU 206.A OE2 no hydrogen 2.600 N/A GLU 193.A N GLU 189.A O no hydrogen 2.876 N/A ASN 194.A N ILE 191.A O no hydrogen 3.367 N/A ARG 197.A N ASN 194.A OD1 no hydrogen 3.386 N/A TYR 198.A N ASN 194.A O no hydrogen 3.002 N/A GLU 201.A N GLU 201.A OE1 no hydrogen 2.679 N/A TYR 202.A N TYR 198.A O no hydrogen 2.757 N/A SER 203.A N TRP 199.A O no hydrogen 2.884 N/A SER 203.A OG TRP 199.A O no hydrogen 3.237 N/A SER 203.A OG ARG 200.A O no hydrogen 2.814 N/A LEU 204.A N ARG 200.A O no hydrogen 3.111 N/A CYS 205.A N GLU 201.A O no hydrogen 2.864 N/A CYS 205.A SG GLU 201.A O no hydrogen 3.349 N/A GLU 206.A N TYR 202.A O no hydrogen 3.081 N/A ASP 207.A N SER 203.A O no hydrogen 2.951 N/A LEU 208.A N LEU 204.A O no hydrogen 2.965 N/A VAL 209.A N CYS 205.A O no hydrogen 2.947 N/A ASP 210.A N GLU 206.A O no hydrogen 2.860 N/A VAL 211.A N ASP 207.A O no hydrogen 2.895 N/A GLU 212.A N LEU 208.A O no hydrogen 2.929 N/A THR 213.A N VAL 209.A O no hydrogen 2.912 N/A THR 213.A OG1 VAL 209.A O no hydrogen 2.877 N/A GLN 214.A N ASP 210.A O no hydrogen 2.919 N/A GLN 214.A NE2 THR 81.A OG1 no hydrogen 2.979 N/A GLN 214.A NE2 GLN 214.A O no hydrogen 3.618 N/A PHE 215.A N VAL 211.A O no hydrogen 2.923 N/A GLN 216.A N GLU 212.A O no hydrogen 2.864 N/A LEU 217.A N THR 213.A O no hydrogen 2.939 N/A TRP 218.A N GLN 214.A O no hydrogen 3.015 N/A ARG 219.A N PHE 215.A O no hydrogen 2.958 N/A ARG 219.A NH1 GLU 117.A OE2 no hydrogen 2.776 N/A PHE 220.A N GLN 216.A O no hydrogen 2.821 N/A ARG 221.A N LEU 217.A O no hydrogen 2.926 N/A ARG 221.A NH1 SER 85.A OG no hydrogen 3.129 N/A ARG 221.A NH2 SER 85.A OG no hydrogen 2.963 N/A ARG 221.A NH2 GLU 88.A OE2 no hydrogen 2.593 N/A HIS 222.A N TRP 218.A O no hydrogen 2.906 N/A MET 223.A N ARG 219.A O no hydrogen 2.960 N/A ARG 224.A N PHE 220.A O no hydrogen 2.837 N/A THR 225.A N ARG 221.A O no hydrogen 2.911 N/A THR 225.A OG1 ARG 221.A O no hydrogen 2.756 N/A VAL 226.A N HIS 222.A O no hydrogen 2.941 N/A MET 227.A N MET 223.A O no hydrogen 2.886 N/A ARG 228.A N ARG 224.A O no hydrogen 3.123 N/A ARG 228.A NH1 GLU 88.A OE1 no hydrogen 2.726 N/A VAL 229.A N THR 225.A O no hydrogen 2.994 N/A VAL 229.A N VAL 226.A O no hydrogen 3.086 N/A ILE 230.A N VAL 226.A O no hydrogen 2.835 N/A LYS 233.A N ILE 230.A O no hydrogen 3.240 N/A ARG 234.A NH2 GLY 238.A O no hydrogen 2.958 N/A GLY 235.A N SER 239.A O no hydrogen 2.953 N/A THR 236.A OG1 SER 105.A O no hydrogen 2.595 N/A GLY 238.A N GLY 235.A O no hydrogen 3.153 N/A GLY 241.A N SER 239.A OG no hydrogen 3.015 N/A LEU 245.A N GLY 241.A O no hydrogen 3.043 N/A GLN 246.A N VAL 242.A O no hydrogen 2.719 N/A GLN 247.A N GLY 243.A O no hydrogen 3.223 N/A ALA 248.A N PHE 244.A O no hydrogen 3.218 N/A LEU 249.A N GLN 246.A O no hydrogen 3.298 N/A ALA 250.A N GLN 247.A O no hydrogen 2.975 N/A LEU 251.A N ALA 248.A O no hydrogen 3.151 N/A THR 252.A OG1 GLU 212.A OE1 no hydrogen 2.955 N/A PHE 253.A N GLU 212.A OE1 no hydrogen 3.068 N/A PHE 253.A N GLU 212.A OE2 no hydrogen 3.168 N/A PHE 254.A N GLU 212.A OE2 no hydrogen 2.812 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.759 N/A LEU 257.A N PHE 254.A O no hydrogen 3.086 N/A PHE 258.A N PRO 255.A O no hydrogen 3.051 N/A ASP 259.A N PRO 255.A O no hydrogen 2.839 N/A VAL 260.A N GLU 256.A O no hydrogen 3.047 N/A ARG 261.A N PHE 258.A O no hydrogen 3.294 N/A ARG 261.A NH1 GLU 206.A OE2 no hydrogen 2.749 N/A ARG 261.A NH2 TYR 192.A OH no hydrogen 2.976 N/A ARG 261.A NH2 LEU 257.A O no hydrogen 2.831 N/A THR 262.A N ASP 259.A O no hydrogen 3.139 N/A THR 262.A OG1 ASP 259.A O no hydrogen 2.864 N/A SER 263.A N VAL 260.A O no hydrogen 2.980 N/A SER 263.A OG GLU 189.A OE2 no hydrogen 2.609 N/A SER 263.A OG VAL 260.A O no hydrogen 3.288 N/A VAL 264.A N VAL 260.A O no hydrogen 3.023 N/A VAL 266.A N SER 263.A O no hydrogen 3.157 N/A