Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4nwd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NH1 ASP 81.A OD2 no hydrogen 3.015 N/A ARG 2.A NH2 ASP 81.A OD1 no hydrogen 2.570 N/A ARG 2.A NH2 ASP 81.A OD2 no hydrogen 2.794 N/A SER 3.A OG SER 48.A OG no hydrogen 2.522 N/A LEU 4.A N SER 48.A O no hydrogen 2.982 N/A ILE 5.A N ASP 81.A OD2 no hydrogen 2.952 N/A VAL 6.A N GLU 50.A O no hydrogen 2.908 N/A THR 7.A N LEU 82.A O no hydrogen 2.815 N/A THR 8.A N ARG 52.A O no hydrogen 3.093 N/A THR 8.A OG1 LEU 9.A O no hydrogen 3.429 N/A THR 8.A OG1 VAL 84.A O no hydrogen 2.876 N/A GLU 11.A N VAL 15.A O no hydrogen 2.838 N/A PHE 14.A N GLU 11.A O no hydrogen 2.625 N/A VAL 15.A N GLU 11.A O no hydrogen 2.968 N/A MET 16.A N GLU 31.A O no hydrogen 2.830 N/A ARG 18.A N ARG 29.A O no hydrogen 2.703 N/A ARG 18.A NE ASP 28.A O no hydrogen 2.842 N/A ARG 18.A NH2 ASP 28.A OD2 no hydrogen 2.978 N/A ARG 22.A N SER 20.A OG no hydrogen 3.084 N/A ARG 22.A NH2 ASP 28.A OD2 no hydrogen 3.224 N/A ASN 27.A ND2 TYR 49.A O no hydrogen 2.940 N/A ARG 29.A N GLY 26.A O no hydrogen 3.320 N/A ARG 29.A NE GLY 26.A O no hydrogen 2.851 N/A ARG 29.A NH2 GLY 26.A O no hydrogen 3.406 N/A PHE 30.A N ASN 27.A O no hydrogen 3.156 N/A GLU 31.A N MET 16.A O no hydrogen 2.931 N/A TYR 33.A N PRO 13.A O no hydrogen 3.024 N/A CYS 34.A N PHE 14.A O no hydrogen 2.999 N/A ASP 36.A N GLY 32.A O no hydrogen 2.908 N/A LEU 37.A N TYR 33.A O no hydrogen 2.893 N/A LEU 38.A N CYS 34.A O no hydrogen 2.908 N/A LYS 39.A N ILE 35.A O no hydrogen 2.859 N/A GLU 40.A N ASP 36.A O no hydrogen 3.143 N/A LEU 41.A N LEU 37.A O no hydrogen 3.019 N/A ALA 42.A N LEU 38.A O no hydrogen 2.923 N/A HIS 43.A N LYS 39.A O no hydrogen 2.956 N/A ILE 44.A N GLU 40.A O no hydrogen 2.884 N/A LEU 45.A N LEU 41.A O no hydrogen 2.810 N/A GLY 46.A N ALA 42.A O no hydrogen 2.777 N/A PHE 47.A N ALA 42.A O no hydrogen 3.271 N/A SER 48.A OG SER 3.A OG no hydrogen 2.522 N/A GLU 50.A N LEU 4.A O no hydrogen 2.864 N/A ILE 51.A N ASN 27.A OD1 no hydrogen 2.904 N/A ARG 52.A N VAL 6.A O no hydrogen 2.807 N/A ARG 52.A NE GLU 50.A OE2 no hydrogen 2.989 N/A ARG 52.A NH2 GLU 50.A OE1 no hydrogen 3.012 N/A ARG 52.A NH2 GLU 50.A OE2 no hydrogen 3.271 N/A VAL 54.A N THR 8.A O no hydrogen 2.784 N/A GLY 57.A N VAL 54.A O no hydrogen 3.135 N/A LYS 58.A N ASP 56.A OD1 no hydrogen 2.855 N/A LYS 58.A NZ ASP 137.A OD2 no hydrogen 2.790 N/A TYR 59.A OH GLU 11.A OE1 no hydrogen 2.416 N/A GLY 60.A N ASP 137.A O no hydrogen 3.307 N/A ALA 61.A N ASN 69.A OD1 no hydrogen 2.815 N/A GLN 62.A NE2 GLY 66.A O no hydrogen 2.827 N/A ASP 63.A N GLN 67.A O no hydrogen 2.780 N/A GLY 66.A N ASP 63.A O no hydrogen 2.875 N/A GLN 67.A N ASP 63.A OD1 no hydrogen 2.936 N/A ASN 69.A N ALA 61.A O no hydrogen 3.176 N/A ASN 69.A ND2 ASP 137.A OD2 no hydrogen 3.073 N/A GLY 70.A N ASP 56.A OD2 no hydrogen 2.731 N/A MET 71.A N LYS 58.A O no hydrogen 3.090 N/A VAL 72.A N TYR 59.A O no hydrogen 3.147 N/A LYS 73.A N ASN 69.A O no hydrogen 3.207 N/A GLU 74.A N GLY 70.A O no hydrogen 3.336 N/A LEU 75.A N MET 71.A O no hydrogen 3.109 N/A ILE 76.A N VAL 72.A O no hydrogen 2.982 N/A ASP 77.A N LYS 73.A O no hydrogen 2.870 N/A HIS 78.A N LEU 75.A O no hydrogen 2.974 N/A LYS 79.A N GLU 74.A O no hydrogen 2.924 N/A ASP 81.A N ILE 5.A O no hydrogen 2.834 N/A LEU 82.A N ILE 5.A O no hydrogen 3.209 N/A ALA 83.A N GLY 216.A O no hydrogen 2.934 N/A VAL 84.A N THR 7.A O no hydrogen 3.056 N/A LEU 87.A N ALA 85.A O no hydrogen 2.630 N/A THR 88.A OG1 GLU 187.A OE2 no hydrogen 2.648 N/A ILE 89.A N GLY 212.A O no hydrogen 2.984 N/A HIS 91.A ND1 GLU 94.A OE1 no hydrogen 2.461 N/A ARG 93.A N THR 90.A OG1 no hydrogen 3.278 N/A ARG 93.A NH1 THR 88.A O no hydrogen 2.875 N/A ARG 93.A NH2 GLY 60.A O no hydrogen 2.843 N/A GLU 94.A N THR 90.A O no hydrogen 3.081 N/A ALA 96.A N ARG 93.A O no hydrogen 2.782 N/A ILE 97.A N ARG 93.A O no hydrogen 2.996 N/A ASP 98.A N THR 217.A O no hydrogen 3.005 N/A SER 100.A N ILE 215.A O no hydrogen 2.773 N/A SER 100.A OG LYS 101.A O no hydrogen 2.714 N/A LYS 101.A N THR 228.A OG1 no hydrogen 3.117 N/A PHE 103.A N TYR 213.A O no hydrogen 2.765 N/A LEU 106.A N LYS 211.A O no hydrogen 2.826 N/A GLY 107.A N SER 188.A OG no hydrogen 2.969 N/A VAL 108.A N ASP 209.A OD1 no hydrogen 2.816 N/A SER 109.A N MET 186.A O no hydrogen 2.932 N/A SER 109.A OG ILE 204.A O no hydrogen 3.446 N/A SER 109.A OG GLY 206.A O no hydrogen 3.001 N/A LEU 111.A N LEU 184.A O no hydrogen 2.836 N/A TYR 112.A N THR 202.A O no hydrogen 3.104 N/A TYR 112.A OH ASP 181.A OD1 no hydrogen 2.537 N/A ARG 113.A NH1 LEU 178.A O no hydrogen 3.165 N/A LYS 114.A N ASN 200.A O no hydrogen 2.869 N/A LYS 114.A NZ CYS 199.A O no hydrogen 3.322 N/A ILE 118.A N THR 116.A O no hydrogen 2.810 N/A ASP 119.A N ASP 123.A OD2 no hydrogen 3.276 N/A SER 120.A OG ASP 123.A OD2 no hydrogen 3.560 N/A ASP 123.A N SER 120.A O no hydrogen 3.264 N/A LEU 124.A N ALA 121.A O no hydrogen 2.980 N/A ALA 125.A N ALA 121.A O no hydrogen 3.061 N/A LYS 126.A NZ ASP 123.A OD1 no hydrogen 3.393 N/A GLN 127.A N LEU 124.A O no hydrogen 3.299 N/A GLN 127.A NE2 LEU 124.A O no hydrogen 2.970 N/A GLN 127.A NE2 ILE 130.A O no hydrogen 2.966 N/A ILE 130.A N GLN 127.A OE1 no hydrogen 2.907 N/A GLU 131.A N ASP 181.A O no hydrogen 3.310 N/A GLY 133.A N ALA 183.A O no hydrogen 3.187 N/A LYS 136.A N VAL 167.A O no hydrogen 2.636 N/A GLY 138.A N VAL 135.A O no hydrogen 3.393 N/A THR 142.A N GLY 138.A O no hydrogen 3.225 N/A THR 142.A OG1 GLY 138.A O no hydrogen 3.209 N/A PHE 143.A N ALA 139.A O no hydrogen 2.923 N/A PHE 144.A N THR 140.A O no hydrogen 3.260 N/A LYS 145.A N MET 141.A O no hydrogen 2.920 N/A LYS 146.A N THR 142.A O no hydrogen 2.953 N/A SER 147.A N PHE 144.A O no hydrogen 3.276 N/A ILE 149.A N SER 147.A OG no hydrogen 3.083 N/A THR 151.A OG1 ASP 122.A OD1 no hydrogen 3.126 N/A GLU 153.A N ILE 149.A O no hydrogen 2.988 N/A LYS 154.A N SER 150.A O no hydrogen 3.047 N/A MET 155.A N THR 151.A O no hydrogen 3.037 N/A TRP 156.A N PHE 152.A O no hydrogen 2.885 N/A ALA 157.A N GLU 153.A O no hydrogen 3.187 N/A PHE 158.A N LYS 154.A O no hydrogen 3.268 N/A MET 159.A N MET 155.A O no hydrogen 2.878 N/A SER 160.A N TRP 156.A O no hydrogen 2.991 N/A SER 160.A OG TRP 156.A O no hydrogen 2.571 N/A SER 160.A OG ALA 157.A O no hydrogen 3.345 N/A SER 161.A N PHE 158.A O no hydrogen 3.249 N/A LYS 162.A NZ GLU 131.A OE1 no hydrogen 2.999 N/A ALA 165.A N LYS 162.A O no hydrogen 3.332 N/A VAL 167.A N ALA 134.A O no hydrogen 2.920 N/A LYS 168.A N GLU 172.A OE2 no hydrogen 3.344 N/A GLU 172.A N ASN 169.A OD1 no hydrogen 2.991 N/A GLY 173.A N ASN 169.A O no hydrogen 2.961 N/A ILE 174.A N ASN 170.A O no hydrogen 2.681 N/A GLN 175.A N GLU 171.A O no hydrogen 3.114 N/A ARG 176.A N GLU 172.A O no hydrogen 3.039 N/A THR 177.A N GLY 173.A O no hydrogen 3.139 N/A THR 177.A OG1 ILE 174.A O no hydrogen 2.552 N/A LEU 178.A N ILE 174.A O no hydrogen 3.203 N/A LEU 178.A N GLN 175.A O no hydrogen 3.083 N/A THR 179.A N ARG 176.A O no hydrogen 3.336 N/A THR 179.A OG1 GLN 175.A O no hydrogen 2.960 N/A ALA 180.A N ARG 176.A O no hydrogen 2.864 N/A TYR 182.A OH ALA 165.A O no hydrogen 2.636 N/A ALA 183.A N GLU 131.A O no hydrogen 2.875 N/A LEU 184.A N LEU 111.A O no hydrogen 2.864 N/A LEU 185.A N GLY 133.A O no hydrogen 2.782 N/A MET 186.A N SER 109.A O no hydrogen 3.166 N/A SER 188.A N GLY 107.A O no hydrogen 2.722 N/A SER 188.A OG GLY 107.A O no hydrogen 3.273 N/A ILE 191.A N GLU 187.A O no hydrogen 3.058 N/A GLU 192.A N SER 188.A O no hydrogen 2.833 N/A TYR 193.A N THR 189.A O no hydrogen 3.355 N/A ILE 194.A N THR 190.A O no hydrogen 2.967 N/A THR 195.A N ILE 191.A O no hydrogen 2.911 N/A THR 195.A OG1 ILE 191.A O no hydrogen 2.943 N/A THR 195.A OG1 GLU 192.A O no hydrogen 3.380 N/A GLN 196.A N GLU 192.A O no hydrogen 3.313 N/A ARG 197.A N ILE 194.A O no hydrogen 3.062 N/A ARG 197.A NH1 TYR 193.A O no hydrogen 2.738 N/A ARG 197.A NH1 GLN 196.A OE1 no hydrogen 3.001 N/A ARG 197.A NH2 TRP 248.A O no hydrogen 3.007 N/A ASN 198.A N ILE 194.A O no hydrogen 2.763 N/A ASN 198.A ND2 ILE 194.A O no hydrogen 3.175 N/A LEU 201.A N ASN 198.A O no hydrogen 3.030 N/A THR 202.A N TYR 112.A O no hydrogen 2.791 N/A THR 202.A OG1 GLN 203.A O no hydrogen 3.471 N/A GLN 203.A NE2 GLY 205.A O no hydrogen 2.764 N/A ILE 204.A N ILE 110.A O no hydrogen 2.913 N/A ILE 208.A N VAL 108.A O no hydrogen 2.816 N/A LYS 211.A N LEU 106.A O no hydrogen 2.875 N/A LYS 211.A NZ ASP 209.A OD2 no hydrogen 3.048 N/A TYR 213.A N MET 104.A O no hydrogen 2.835 N/A TYR 213.A OH GLU 187.A OE1 no hydrogen 2.365 N/A GLY 214.A N LEU 87.A O no hydrogen 3.066 N/A ILE 215.A N SER 100.A OG no hydrogen 2.948 N/A GLY 216.A N ALA 83.A O no hydrogen 3.207 N/A THR 217.A N ASP 98.A O no hydrogen 3.053 N/A THR 217.A OG1 PRO 218.A O no hydrogen 2.985 N/A GLY 220.A N ASP 98.A OD2 no hydrogen 3.004 N/A SER 221.A N PRO 218.A O no hydrogen 3.040 N/A TYR 223.A N SER 221.A OG no hydrogen 2.942 N/A ARG 224.A NE PHE 99.A O no hydrogen 3.131 N/A ILE 227.A N TYR 223.A O no hydrogen 2.964 N/A THR 228.A N ARG 224.A O no hydrogen 2.981 N/A THR 228.A OG1 ARG 224.A O no hydrogen 3.346 N/A ILE 229.A N ASP 225.A O no hydrogen 3.135 N/A ALA 230.A N LYS 226.A O no hydrogen 3.236 N/A ILE 231.A N ILE 227.A O no hydrogen 2.863 N/A LEU 232.A N THR 228.A O no hydrogen 2.879 N/A GLN 233.A N ILE 229.A O no hydrogen 3.039 N/A LEU 234.A N ALA 230.A O no hydrogen 2.971 N/A GLN 235.A N ILE 231.A O no hydrogen 3.070 N/A GLN 235.A NE2 PRO 102.A O no hydrogen 3.166 N/A GLU 236.A N LEU 232.A O no hydrogen 3.141 N/A ASP 238.A N GLN 235.A O no hydrogen 2.955 N/A LYS 239.A N LEU 234.A O no hydrogen 3.094 N/A ILE 242.A N ASP 238.A O no hydrogen 3.072 N/A MET 243.A N LYS 239.A O no hydrogen 2.932 N/A LYS 244.A N LEU 240.A O no hydrogen 3.029 N/A LYS 244.A NZ GLU 192.A OE1 no hydrogen 3.079 N/A LYS 244.A NZ GLU 192.A OE2 no hydrogen 3.492 N/A GLU 245.A N HIS 241.A O no hydrogen 3.092 N/A LYS 246.A N ILE 242.A O no hydrogen 3.045 N/A LYS 246.A NZ ASP 36.A OD2 no hydrogen 2.803 N/A TRP 247.A N LYS 244.A O no hydrogen 2.993 N/A TRP 247.A NE1 ASP 36.A OD2 no hydrogen 2.982 N/A TRP 248.A N LYS 244.A O no hydrogen 2.822 N/A TRP 248.A NE1 THR 189.A O no hydrogen 2.794 N/A ARG 249.A N GLU 245.A O no hydrogen 2.897 N/A CYS 253.A SG THR 195.A O no hydrogen 3.446 N/A CYS 253.A SG GLN 196.A O no hydrogen 3.242 N/A