Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mwi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N ILE 76.A O no hydrogen 2.785 N/A LYS 5.A N GLN 8.A OE1 no hydrogen 3.472 N/A GLN 8.A N LYS 5.A O no hydrogen 2.679 N/A LEU 9.A N LYS 6.A O no hydrogen 3.116 N/A SER 10.A N GLU 7.A O no hydrogen 3.458 N/A SER 10.A OG LYS 6.A O no hydrogen 2.884 N/A TRP 14.A NE1 LEU 9.A O no hydrogen 2.918 N/A ILE 15.A N LYS 27.A O no hydrogen 2.837 N/A LEU 17.A N LEU 25.A O no hydrogen 2.777 N/A ARG 18.A N LEU 25.A O no hydrogen 3.428 N/A ARG 18.A NE GLU 101.A OE2 no hydrogen 2.802 N/A ARG 18.A NH2 GLU 101.A OE1 no hydrogen 2.996 N/A ASN 20.A N SER 23.A O no hydrogen 2.821 N/A THR 24.A N VAL 39.A O no hydrogen 2.925 N/A LEU 25.A N ARG 18.A O no hydrogen 2.836 N/A TYR 26.A N ILE 37.A O no hydrogen 2.928 N/A LYS 27.A N ILE 15.A O no hydrogen 2.785 N/A GLY 28.A N VAL 35.A O no hydrogen 2.981 N/A TYR 30.A N ALA 33.A O no hydrogen 2.867 N/A ALA 33.A N TYR 30.A O no hydrogen 3.083 N/A VAL 35.A N GLY 28.A O no hydrogen 2.932 N/A ALA 36.A N MET 91.A O no hydrogen 2.926 N/A ILE 37.A N TYR 26.A O no hydrogen 2.728 N/A LYS 38.A N ILE 89.A O no hydrogen 2.827 N/A LYS 38.A NZ GLU 58.A OE1 no hydrogen 2.971 N/A LYS 38.A NZ GLU 58.A OE2 no hydrogen 2.785 N/A VAL 39.A N THR 24.A O no hydrogen 2.875 N/A PHE 40.A N PHE 87.A O no hydrogen 2.948 N/A LYS 41.A N VAL 22.A O no hydrogen 2.879 N/A LYS 42.A NZ PRO 84.A O no hydrogen 2.894 N/A GLN 44.A N SER 47.A O no hydrogen 2.894 N/A SER 47.A N GLN 44.A O no hydrogen 2.924 N/A ILE 50.A N SER 47.A OG no hydrogen 3.062 N/A ARG 52.A N ILE 48.A O no hydrogen 3.423 N/A ARG 52.A NH1 GLU 80.A OE2 no hydrogen 3.178 N/A ARG 52.A NH2 GLU 80.A OE1 no hydrogen 3.013 N/A GLN 53.A N ALA 49.A O no hydrogen 2.985 N/A THR 54.A N ILE 50.A O no hydrogen 2.851 N/A THR 54.A OG1 GLN 44.A OE1 no hydrogen 2.771 N/A THR 54.A OG1 ILE 50.A O no hydrogen 3.152 N/A PHE 55.A N VAL 51.A O no hydrogen 2.966 N/A ASN 56.A N ARG 52.A O no hydrogen 2.891 N/A LYS 57.A N GLN 53.A O no hydrogen 2.984 N/A LYS 57.A NZ THR 61.A OG1 no hydrogen 3.087 N/A LYS 57.A NZ GLU 135.A OE1 no hydrogen 3.018 N/A GLU 58.A N THR 54.A O no hydrogen 3.008 N/A ILE 59.A N PHE 55.A O no hydrogen 3.046 N/A LYS 60.A N ASN 56.A O no hydrogen 2.969 N/A THR 61.A N LYS 57.A O no hydrogen 3.033 N/A THR 61.A OG1 LYS 57.A O no hydrogen 2.977 N/A THR 61.A OG1 GLU 135.A OE1 no hydrogen 3.282 N/A MET 62.A N GLU 58.A O no hydrogen 2.956 N/A LYS 63.A N ILE 59.A O no hydrogen 3.033 N/A LYS 63.A NZ GLU 66.A OE1 no hydrogen 3.071 N/A LYS 64.A N LYS 60.A O no hydrogen 2.909 N/A LYS 64.A NZ ALA 133.A O no hydrogen 2.814 N/A LYS 64.A NZ GLU 135.A OE2 no hydrogen 2.899 N/A PHE 65.A N THR 61.A O no hydrogen 3.071 N/A GLU 66.A N LYS 63.A O no hydrogen 3.330 N/A SER 67.A OG PHE 65.A O no hydrogen 2.756 N/A ILE 70.A N SER 67.A O no hydrogen 3.230 N/A LEU 71.A N LEU 155.A O no hydrogen 2.921 N/A ARG 72.A N GLU 92.A OE1 no hydrogen 2.848 N/A PHE 74.A N VAL 90.A O no hydrogen 2.768 N/A GLY 75.A N VAL 90.A O no hydrogen 3.280 N/A ILE 76.A N LYS 2.A O no hydrogen 2.898 N/A CYS 77.A N SER 88.A O no hydrogen 2.940 N/A CYS 77.A SG.A ILE 4.A O no hydrogen 3.481 N/A CYS 77.A SG.B ILE 4.A O no hydrogen 3.384 N/A ASP 79.A N GLN 86.A O no hydrogen 2.907 N/A THR 81.A N ASP 79.A OD1 no hydrogen 2.944 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 2.454 N/A GLN 86.A N ASP 79.A O no hydrogen 3.109 N/A GLN 86.A NE2 PHE 40.A O no hydrogen 2.840 N/A GLN 86.A NE2 PHE 87.A O no hydrogen 3.104 N/A SER 88.A N CYS 77.A O no hydrogen 2.850 N/A ILE 89.A N LYS 38.A O no hydrogen 2.864 N/A VAL 90.A N GLY 75.A O no hydrogen 2.847 N/A MET 91.A N ALA 36.A O no hydrogen 2.824 N/A GLU 92.A N ARG 72.A O no hydrogen 3.063 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.775 N/A LEU 96.A N VAL 147.A O no hydrogen 2.982 N/A GLY 97.A N CYS 94.A O no hydrogen 3.014 N/A THR 98.A N GLU 101.A OE1 no hydrogen 3.026 N/A LEU 99.A N PHE 145.A O no hydrogen 2.754 N/A ARG 100.A NE ARG 100.A O no hydrogen 3.096 N/A ARG 100.A NE ASP 104.A OD1 no hydrogen 3.312 N/A ARG 100.A NH1 ASP 104.A OD1 no hydrogen 2.822 N/A ARG 100.A NH1 GLY 204.A O no hydrogen 2.877 N/A ARG 100.A NH2 GLU 200.A OE2 no hydrogen 2.873 N/A ARG 100.A NH2 ASP 205.A O no hydrogen 2.855 N/A GLU 101.A N THR 98.A OG1 no hydrogen 3.010 N/A LEU 102.A N THR 98.A O no hydrogen 2.893 N/A LEU 103.A N LEU 99.A O no hydrogen 2.892 N/A ASP 104.A N ARG 100.A O no hydrogen 3.029 N/A ARG 105.A N GLU 101.A O no hydrogen 3.010 N/A ARG 105.A N LEU 102.A O no hydrogen 3.100 N/A ARG 105.A NH1 LEU 96.A O no hydrogen 3.187 N/A ARG 105.A NH2 LEU 96.A O no hydrogen 2.873 N/A ARG 105.A NH2 GLU 106.A OE2 no hydrogen 3.482 N/A GLU 106.A N LEU 102.A O no hydrogen 2.819 N/A LYS 107.A NZ LEU 103.A O no hydrogen 2.885 N/A LYS 113.A N THR 110.A OG1 no hydrogen 3.123 N/A LYS 113.A NZ.B TYR 151.A OH no hydrogen 2.969 N/A ARG 114.A N THR 110.A O no hydrogen 3.043 N/A ARG 114.A NH1 ILE 201.A O no hydrogen 2.815 N/A MET 115.A N LEU 111.A O no hydrogen 2.925 N/A VAL 116.A N GLY 112.A O no hydrogen 3.074 N/A LEU 117.A N LYS 113.A O no hydrogen 2.998 N/A VAL 118.A N ARG 114.A O no hydrogen 2.941 N/A LEU 119.A N MET 115.A O no hydrogen 3.034 N/A GLY 120.A N VAL 116.A O no hydrogen 2.956 N/A ALA 121.A N LEU 117.A O no hydrogen 2.960 N/A ALA 122.A N VAL 118.A O no hydrogen 3.021 N/A ARG 123.A N LEU 119.A O no hydrogen 2.969 N/A GLY 124.A N GLY 120.A O no hydrogen 3.202 N/A LEU 125.A N ALA 121.A O no hydrogen 3.150 N/A TYR 126.A N ALA 122.A O no hydrogen 2.816 N/A ARG 127.A N ARG 123.A O no hydrogen 3.176 N/A ARG 127.A NE SER 67.A OG no hydrogen 3.286 N/A ARG 127.A NH1 SER 131.A OG no hydrogen 2.728 N/A ARG 127.A NH2 GLU 66.A O no hydrogen 3.138 N/A HIS 129.A N LEU 125.A O no hydrogen 3.013 N/A HIS 129.A NE2 GLU 190.A OE1 no hydrogen 2.804 N/A HIS 130.A N TYR 126.A O no hydrogen 2.792 N/A SER 131.A OG ARG 127.A O no hydrogen 2.577 N/A GLU 135.A N LEU 128.A O no hydrogen 2.959 N/A HIS 137.A N GLU 190.A OE1 no hydrogen 2.776 N/A HIS 137.A NE2 ALA 156.A O no hydrogen 2.710 N/A GLY 138.A N GLU 190.A OE2 no hydrogen 2.901 N/A LYS 139.A N HIS 137.A ND1 no hydrogen 2.939 N/A ARG 141.A NE SER 143.A OG no hydrogen 3.068 N/A ARG 141.A NH1 SER 169.A OG no hydrogen 3.210 N/A ARG 141.A NH2 VAL 167.A O no hydrogen 2.862 N/A SER 142.A N TYR 172.A OH no hydrogen 3.142 N/A SER 142.A OG TYR 172.A OH no hydrogen 3.058 N/A SER 142.A OG GLU 200.A OE1 no hydrogen 3.369 N/A SER 142.A OG GLU 200.A OE2 no hydrogen 2.574 N/A ASN 144.A N ARG 141.A O no hydrogen 2.988 N/A ASN 144.A ND2 LYS 139.A O no hydrogen 2.810 N/A PHE 145.A N SER 142.A O no hydrogen 3.468 N/A LEU 146.A N LYS 154.A O no hydrogen 2.779 N/A VAL 147.A N GLY 97.A O no hydrogen 2.928 N/A THR 148.A N GLN 152.A O no hydrogen 2.928 N/A GLN 149.A N GLU 95.A OE1 no hydrogen 2.957 N/A GLY 150.A N THR 148.A OG1 no hydrogen 3.273 N/A TYR 151.A N THR 148.A O no hydrogen 2.791 N/A TYR 151.A OH GLU 106.A OE1 no hydrogen 2.776 N/A GLN 152.A N THR 148.A OG1 no hydrogen 3.205 N/A LYS 154.A N LEU 146.A O no hydrogen 2.707 N/A LYS 154.A NZ PRO 68.A O no hydrogen 2.709 N/A LYS 154.A NZ GLN 152.A OE1 no hydrogen 3.142 N/A LEU 155.A N ASN 69.A O no hydrogen 2.917 N/A ALA 156.A N ASN 144.A O no hydrogen 2.867 N/A GLU 159.A N HIS 137.A O no hydrogen 3.048 N/A ARG 161.A NH1 GLY 138.A O no hydrogen 2.993 N/A ARG 161.A NH2 GLU 177.A OE2 no hydrogen 2.841 N/A LYS 162.A NZ GLU 159.A OE2 no hydrogen 3.123 N/A LYS 162.A NZ LEU 160.A O no hydrogen 3.331 N/A GLN 164.A NE2 GLU 177.A O no hydrogen 2.837 N/A GLN 164.A NE2 ASP 180.A O no hydrogen 3.507 N/A ARG 166.A NE ASP 104.A OD2 no hydrogen 2.829 N/A ARG 166.A NH2 ASP 104.A OD1 no hydrogen 2.849 N/A THR 170.A OG1 SER 213.A OG no hydrogen 2.981 N/A ALA 171.A N LYS 168.A O no hydrogen 3.106 N/A TYR 172.A N SER 169.A O no hydrogen 3.022 N/A TYR 172.A OH GLU 200.A OE1 no hydrogen 2.529 N/A TYR 172.A OH GLU 200.A OE2 no hydrogen 3.381 N/A LEU 173.A N THR 170.A O no hydrogen 3.205 N/A SER 174.A N GLU 177.A OE1 no hydrogen 3.385 N/A SER 174.A OG GLU 177.A OE1 no hydrogen 2.811 N/A GLN 176.A NE2 HIS 247.A O no hydrogen 2.790 N/A GLU 177.A N SER 174.A OG no hydrogen 3.304 N/A LEU 178.A N SER 174.A O no hydrogen 2.960 N/A GLU 179.A N PRO 175.A O no hydrogen 3.249 N/A PHE 182.A N ASP 180.A OD1 no hydrogen 2.920 N/A TYR 183.A N ASP 180.A O no hydrogen 3.013 N/A TYR 185.A OH GLU 190.A OE2 no hydrogen 2.475 N/A LYS 188.A NZ ARG 252.A O no hydrogen 2.678 N/A SER 189.A N ASP 186.A OD1 no hydrogen 2.961 N/A SER 189.A OG ASP 186.A OD1 no hydrogen 2.871 N/A GLU 190.A N ASP 186.A O no hydrogen 3.086 N/A ILE 191.A N VAL 187.A O no hydrogen 2.924 N/A TYR 192.A N LYS 188.A O no hydrogen 3.046 N/A SER 193.A N SER 189.A O no hydrogen 3.302 N/A SER 193.A OG TYR 172.A O no hydrogen 2.722 N/A SER 193.A OG SER 189.A O no hydrogen 3.412 N/A PHE 194.A N GLU 190.A O no hydrogen 2.977 N/A GLY 195.A N ILE 191.A O no hydrogen 2.847 N/A ILE 196.A N TYR 192.A O no hydrogen 3.207 N/A VAL 197.A N SER 193.A O no hydrogen 3.164 N/A LEU 198.A N PHE 194.A O no hydrogen 2.894 N/A TRP 199.A N GLY 195.A O no hydrogen 3.045 N/A TRP 199.A NE1 PRO 228.A O no hydrogen 2.931 N/A GLU 200.A N ILE 196.A O no hydrogen 2.915 N/A ILE 201.A N VAL 197.A O no hydrogen 2.935 N/A ALA 202.A N LEU 198.A O no hydrogen 2.896 N/A THR 203.A N TRP 199.A O no hydrogen 2.935 N/A THR 203.A OG1 TRP 199.A O no hydrogen 2.877 N/A GLY 204.A N GLU 200.A O no hydrogen 2.621 N/A ASP 205.A N THR 203.A OG1 no hydrogen 3.010 N/A ILE 206.A N ASP 205.A OD1 no hydrogen 2.766 N/A PHE 208.A N GLU 227.A OE1 no hydrogen 2.715 N/A CYS 211.A N PHE 208.A O no hydrogen 2.992 N/A CYS 211.A SG GLN 209.A O no hydrogen 4.037 N/A SER 213.A OG THR 170.A OG1 no hydrogen 2.981 N/A LYS 215.A N ASN 212.A OD1 no hydrogen 2.818 N/A ILE 216.A N ASN 212.A O no hydrogen 3.111 N/A ARG 217.A N SER 213.A O no hydrogen 2.956 N/A ARG 217.A NH1 LEU 178.A O no hydrogen 2.528 N/A LYS 218.A N GLU 214.A O no hydrogen 3.052 N/A LEU 219.A N LYS 215.A O no hydrogen 2.855 N/A VAL 220.A N ILE 216.A O no hydrogen 2.976 N/A ALA 221.A N ARG 217.A O no hydrogen 2.908 N/A VAL 222.A N LYS 218.A O no hydrogen 3.401 N/A LYS 223.A N VAL 220.A O no hydrogen 2.930 N/A ARG 224.A N LEU 219.A O no hydrogen 2.837 N/A GLN 225.A N GLN 225.A OE1 no hydrogen 2.775 N/A GLN 225.A NE2 ARG 245.A O no hydrogen 2.785 N/A GLN 226.A NE2 ASP 242.A O no hydrogen 2.884 N/A CYS 233.A N GLY 230.A O no hydrogen 3.167 N/A CYS 233.A SG PRO 234.A O no hydrogen 3.632 N/A SER 235.A OG GLU 236.A OE1 no hydrogen 3.438 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.826 N/A LEU 237.A N PRO 234.A O no hydrogen 3.013 N/A ARG 238.A N PRO 234.A O no hydrogen 3.024 N/A ARG 238.A NE.A ASP 242.A OD2 no hydrogen 2.880 N/A ARG 238.A NH1.B CYS 233.A O no hydrogen 3.264 N/A ARG 238.A NH2.A ASP 242.A OD2 no hydrogen 3.296 N/A ARG 238.A NH2.B GLY 230.A O no hydrogen 2.609 N/A GLU 239.A N SER 235.A O no hydrogen 2.887 N/A ILE 240.A N GLU 236.A O no hydrogen 3.192 N/A ILE 241.A N LEU 237.A O no hydrogen 2.959 N/A ASP 242.A N ARG 238.A O no hydrogen 2.793 N/A GLU 243.A N GLU 239.A O no hydrogen 3.010 N/A CYS 244.A N ILE 240.A O no hydrogen 2.972 N/A CYS 244.A SG ILE 240.A O no hydrogen 3.424 N/A ARG 245.A N ASP 242.A O no hydrogen 3.080 N/A ARG 245.A NE ILE 241.A O no hydrogen 2.978 N/A ARG 245.A NH1 GLU 227.A O no hydrogen 2.924 N/A ARG 245.A NH2 GLU 227.A O no hydrogen 3.264 N/A ARG 245.A NH2 ASP 242.A OD1 no hydrogen 2.832 N/A ALA 246.A N GLU 243.A O no hydrogen 3.210 N/A SER 250.A N ASP 248.A OD1 no hydrogen 3.065 N/A SER 250.A OG ASP 248.A OD1 no hydrogen 2.800 N/A SER 250.A OG ASP 248.A OD2 no hydrogen 3.178 N/A VAL 251.A N ASP 248.A O no hydrogen 3.171 N/A ARG 252.A N PRO 249.A O no hydrogen 3.138 N/A ARG 252.A NE ALA 246.A O no hydrogen 2.794 N/A ARG 252.A NH1 LYS 188.A O no hydrogen 2.925 N/A ARG 252.A NH2 GLN 176.A OE1 no hydrogen 2.901 N/A ARG 252.A NH2 ALA 246.A O no hydrogen 2.970 N/A SER 254.A N GLU 257.A OE1.A no hydrogen 3.071 N/A SER 254.A OG GLU 257.A OE1.A no hydrogen 3.321 N/A ASP 256.A N HIS 130.A NE2 no hydrogen 3.142 N/A GLU 257.A N SER 254.A OG no hydrogen 3.180 N/A ILE 258.A N SER 254.A O no hydrogen 2.974 N/A LEU 259.A N VAL 255.A O no hydrogen 2.863 N/A LYS 260.A N ASP 256.A O no hydrogen 3.001 N/A LYS 260.A NZ ASP 256.A OD2 no hydrogen 3.049 N/A LYS 261.A N GLU 257.A O no hydrogen 3.101 N/A LYS 261.A NZ GLU 239.A OE1 no hydrogen 2.817 N/A LEU 262.A N ILE 258.A O no hydrogen 2.902 N/A SER 263.A N LEU 259.A O no hydrogen 2.842 N/A SER 263.A OG LEU 259.A O no hydrogen 2.767 N/A THR 264.A N LYS 261.A O no hydrogen 3.051 N/A THR 264.A OG1 LYS 261.A O no hydrogen 2.615 N/A PHE 265.A N LEU 262.A O no hydrogen 3.136 N/A