Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 5.A OD2 no hydrogen 2.944 N/A ASP 5.A N THR 2.A O no hydrogen 2.899 N/A PHE 6.A N ILE 3.A O no hydrogen 3.315 N/A ASP 7.A N ARG 24.A O no hydrogen 2.845 N/A GLY 9.A N LEU 22.A O no hydrogen 2.742 N/A LEU 12.A N VAL 20.A O no hydrogen 2.715 N/A GLY 13.A N VAL 20.A O no hydrogen 3.391 N/A LYS 14.A NZ ASN 19.A OD1 no hydrogen 3.382 N/A GLY 15.A N GLY 18.A O no hydrogen 2.771 N/A ASN 19.A ND2 TYR 21.A OH no hydrogen 3.154 N/A VAL 20.A N GLY 13.A O no hydrogen 2.871 N/A TYR 21.A N LEU 34.A O no hydrogen 2.928 N/A LEU 22.A N ARG 10.A O no hydrogen 2.778 N/A ALA 23.A N MET 32.A O no hydrogen 2.884 N/A ARG 24.A N ASP 7.A O no hydrogen 2.861 N/A ARG 24.A NH2 ASP 7.A OD2 no hydrogen 3.327 N/A GLU 25.A N PHE 30.A O no hydrogen 2.842 N/A LYS 26.A N ASP 5.A O no hydrogen 2.774 N/A LYS 26.A NZ ASP 4.A O no hydrogen 2.939 N/A GLN 27.A N GLU 25.A OE1 no hydrogen 2.782 N/A PHE 30.A N GLU 25.A O no hydrogen 3.316 N/A MET 32.A N ALA 23.A O no hydrogen 2.885 N/A ALA 33.A N LEU 83.A O no hydrogen 2.903 N/A LEU 34.A N TYR 21.A O no hydrogen 2.829 N/A LYS 35.A N LEU 81.A O no hydrogen 2.922 N/A VAL 36.A N ASN 19.A O no hydrogen 2.881 N/A LEU 37.A N ILE 79.A O no hydrogen 2.748 N/A PHE 38.A N PHE 17.A O no hydrogen 3.000 N/A LYS 39.A N LYS 77.A O no hydrogen 2.985 N/A LYS 39.A NZ HIS 74.A ND1 no hydrogen 2.846 N/A LYS 39.A NZ ASP 75.A O no hydrogen 2.922 N/A LEU 42.A N PHE 38.A O no hydrogen 3.010 N/A GLU 43.A N LYS 39.A O no hydrogen 2.967 N/A LYS 44.A N SER 40.A O.A no hydrogen 2.897 N/A LYS 44.A N SER 40.A O.B no hydrogen 2.819 N/A GLU 45.A N GLN 41.A O no hydrogen 3.076 N/A GLY 46.A N GLU 43.A O no hydrogen 2.972 N/A VAL 47.A N LEU 42.A O no hydrogen 3.124 N/A GLU 48.A N GLU 48.A OE1 no hydrogen 2.978 N/A GLN 50.A NE2 GLU 54.A OE1 no hydrogen 2.927 N/A GLN 50.A NE2 GLY 149.A O no hydrogen 3.276 N/A LEU 51.A N VAL 47.A O no hydrogen 2.865 N/A ARG 52.A N GLU 48.A O no hydrogen 2.898 N/A ARG 53.A N HIS 49.A O no hydrogen 3.056 N/A GLU 54.A N GLN 50.A O no hydrogen 2.990 N/A ILE 55.A N LEU 51.A O no hydrogen 2.976 N/A GLU 56.A N ARG 52.A O no hydrogen 2.962 N/A ILE 57.A N ARG 53.A O no hydrogen 2.939 N/A GLN 58.A N GLU 54.A O no hydrogen 2.989 N/A GLN 58.A NE2 LEU 67.A O no hydrogen 3.084 N/A SER 59.A N ILE 55.A O no hydrogen 2.858 N/A SER 59.A OG ILE 55.A O no hydrogen 2.726 N/A SER 59.A OG GLU 56.A O no hydrogen 3.541 N/A HIS 60.A N ILE 57.A O no hydrogen 3.293 N/A LEU 61.A N GLN 58.A O no hydrogen 3.196 N/A ARG 62.A N TYR 119.A OH no hydrogen 2.948 N/A ASN 65.A ND2 HIS 63.A NE2 no hydrogen 3.473 N/A ILE 66.A N HIS 63.A O no hydrogen 3.090 N/A LEU 67.A N ILE 145.A O no hydrogen 2.817 N/A ARG 68.A N GLU 84.A OE1 no hydrogen 3.001 N/A TYR 70.A N MET 82.A O no hydrogen 2.767 N/A TYR 72.A N ASN 71.A OD1 no hydrogen 2.862 N/A PHE 73.A N TYR 80.A O no hydrogen 3.102 N/A ASP 75.A N ARG 78.A O no hydrogen 2.939 N/A LYS 77.A N ASP 75.A OD1 no hydrogen 3.166 N/A ARG 78.A N ASP 75.A OD1 no hydrogen 2.931 N/A ILE 79.A N LEU 37.A O no hydrogen 2.706 N/A TYR 80.A N PHE 73.A O no hydrogen 2.840 N/A TYR 80.A OH ASP 75.A OD2 no hydrogen 2.600 N/A LEU 81.A N LYS 35.A O no hydrogen 2.845 N/A MET 82.A N ASN 71.A O no hydrogen 2.998 N/A LEU 83.A N ALA 33.A O no hydrogen 2.838 N/A GLU 84.A N ARG 68.A O no hydrogen 2.884 N/A ARG 88.A N MET 137.A O no hydrogen 3.046 N/A ARG 88.A NE TYR 139.A O no hydrogen 2.955 N/A GLY 89.A N ALA 86.A O no hydrogen 3.002 N/A LEU 91.A N LEU 135.A O no hydrogen 3.013 N/A LEU 95.A N LEU 91.A O no hydrogen 2.975 N/A GLN 96.A N TYR 92.A O no hydrogen 2.934 N/A LYS 97.A N LYS 93.A O no hydrogen 2.896 N/A HIS 98.A N GLU 94.A O no hydrogen 3.077 N/A GLY 99.A N LEU 95.A O no hydrogen 2.737 N/A PHE 101.A N PHE 194.A O no hydrogen 2.816 N/A ARG 105.A N ASP 102.A OD1 no hydrogen 2.808 N/A ARG 105.A NH1 GLU 94.A OE2 no hydrogen 2.978 N/A ARG 105.A NH2 GLU 94.A OE2 no hydrogen 2.837 N/A SER 106.A N ASP 102.A O no hydrogen 2.981 N/A SER 106.A OG ASP 102.A O no hydrogen 2.879 N/A ALA 107.A N GLU 103.A O no hydrogen 2.827 N/A THR 108.A N GLN 104.A O no hydrogen 2.968 N/A THR 108.A OG1 GLN 104.A O no hydrogen 2.703 N/A PHE 109.A N ARG 105.A O no hydrogen 3.009 N/A MET 110.A N SER 106.A O no hydrogen 2.936 N/A GLU 111.A N ALA 107.A O no hydrogen 2.921 N/A GLU 112.A N THR 108.A O no hydrogen 3.088 N/A LEU 113.A N PHE 109.A O no hydrogen 2.827 N/A ALA 114.A N MET 110.A O no hydrogen 2.954 N/A ASP 115.A N GLU 111.A O no hydrogen 3.000 N/A ALA 116.A N GLU 112.A O no hydrogen 2.984 N/A LEU 117.A N LEU 113.A O no hydrogen 2.848 N/A HIS 118.A N ALA 114.A O no hydrogen 2.883 N/A TYR 119.A N ASP 115.A O no hydrogen 3.040 N/A CYS 120.A N ALA 116.A O no hydrogen 3.001 N/A CYS 120.A SG ALA 116.A O no hydrogen 3.523 N/A HIS 121.A N LEU 117.A O no hydrogen 2.765 N/A HIS 121.A NE2 ASP 183.A OD2 no hydrogen 2.779 N/A GLU 122.A N HIS 118.A O no hydrogen 2.855 N/A ARG 123.A N CYS 120.A O no hydrogen 2.943 N/A ARG 123.A NH1 TYR 119.A O no hydrogen 2.966 N/A ARG 123.A NH1 GLU 122.A OE1 no hydrogen 2.969 N/A LYS 124.A N HIS 121.A O no hydrogen 2.943 N/A VAL 125.A N CYS 120.A O no hydrogen 3.037 N/A ILE 126.A N VAL 152.A O no hydrogen 2.893 N/A HIS 127.A N ASP 183.A OD2 no hydrogen 2.874 N/A HIS 127.A NE2 ASP 147.A O no hydrogen 2.722 N/A ARG 128.A N ASP 183.A OD1 no hydrogen 2.843 N/A ARG 128.A NE TRP 150.A O no hydrogen 2.896 N/A ARG 128.A NH1 HIS 178.A NE2 no hydrogen 3.009 N/A ARG 128.A NH2 TRP 150.A O no hydrogen 3.208 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.017 N/A LYS 131.A NZ THR 164.A OG1 no hydrogen 2.899 N/A GLU 133.A N GLU 133.A OE1 no hydrogen 2.775 N/A ASN 134.A N LYS 131.A O no hydrogen 3.053 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.758 N/A ASN 134.A ND2 ASP 129.A OD2 no hydrogen 2.957 N/A LEU 135.A N PRO 132.A O no hydrogen 3.070 N/A LEU 136.A N LYS 144.A O no hydrogen 2.895 N/A MET 137.A N GLY 89.A O no hydrogen 2.903 N/A GLY 138.A N GLU 142.A O no hydrogen 2.825 N/A LYS 140.A N GLU 142.A OE1 no hydrogen 2.854 N/A GLY 141.A N GLY 138.A O no hydrogen 2.926 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.745 N/A LEU 143.A N GLU 112.A OE1 no hydrogen 2.903 N/A LYS 144.A N LEU 136.A O no hydrogen 2.889 N/A LYS 144.A NZ PRO 64.A O no hydrogen 2.686 N/A LYS 144.A NZ GLU 84.A OE2 no hydrogen 2.788 N/A ILE 145.A N ASN 65.A O no hydrogen 2.882 N/A ALA 146.A N ASN 134.A O no hydrogen 2.965 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 2.928 N/A SER 151.A N.A PHE 148.A O no hydrogen 3.084 N/A SER 151.A N.B PHE 148.A O no hydrogen 3.080 N/A SER 151.A OG.A HIS 127.A O no hydrogen 3.042 N/A SER 151.A OG.B PHE 148.A O no hydrogen 2.535 N/A VAL 152.A N ILE 126.A O no hydrogen 3.015 N/A ALA 154.A N LYS 124.A O no hydrogen 2.890 N/A ARG 158.A NH1 THR 177.A OG1 no hydrogen 3.293 N/A ARG 159.A N HIS 178.A O no hydrogen 2.815 N/A THR 164.A OG1 ASP 129.A OD1 no hydrogen 2.773 N/A TYR 167.A N THR 164.A O no hydrogen 2.829 N/A TYR 167.A OH GLU 193.A OE1 no hydrogen 2.645 N/A LEU 168.A N LEU 165.A O no hydrogen 3.280 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.784 N/A MET 172.A N PRO 169.A O no hydrogen 3.071 N/A ILE 173.A N PRO 169.A O no hydrogen 3.365 N/A GLU 174.A N PRO 170.A O no hydrogen 2.912 N/A GLY 175.A N MET 172.A O no hydrogen 3.108 N/A LYS 176.A N GLU 171.A O no hydrogen 2.996 N/A LYS 176.A NZ TYR 238.A OH no hydrogen 3.093 N/A HIS 178.A N ARG 159.A O no hydrogen 2.741 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.838 N/A LYS 181.A N ASP 179.A OD1 no hydrogen 2.880 N/A LYS 181.A NZ ASP 179.A OD2 no hydrogen 3.119 N/A LYS 181.A NZ GLU 180.A OE2 no hydrogen 2.779 N/A VAL 182.A N ASP 179.A O no hydrogen 3.206 N/A ASP 183.A N GLU 180.A O no hydrogen 3.036 N/A LEU 184.A N.A LYS 181.A O no hydrogen 3.082 N/A LEU 184.A N.B LYS 181.A O no hydrogen 3.112 N/A TRP 185.A N LYS 181.A O no hydrogen 3.340 N/A CYS 186.A N VAL 182.A O no hydrogen 3.061 N/A CYS 186.A SG TYR 167.A O no hydrogen 3.311 N/A CYS 186.A SG VAL 182.A O no hydrogen 3.475 N/A ALA 187.A N ASP 183.A O no hydrogen 2.952 N/A GLY 188.A N LEU 184.A O.A no hydrogen 3.287 N/A GLY 188.A N LEU 184.A O.B no hydrogen 3.114 N/A VAL 189.A N TRP 185.A O no hydrogen 3.113 N/A LEU 190.A N CYS 186.A O no hydrogen 2.856 N/A CYS 191.A N ALA 187.A O no hydrogen 2.981 N/A TYR 192.A N GLY 188.A O no hydrogen 3.110 N/A TYR 192.A OH LYS 219.A O no hydrogen 3.203 N/A GLU 193.A N VAL 189.A O no hydrogen 2.911 N/A PHE 194.A N LEU 190.A O no hydrogen 2.827 N/A LEU 195.A N CYS 191.A O no hydrogen 3.187 N/A VAL 196.A N TYR 192.A O no hydrogen 2.858 N/A GLY 197.A N GLU 193.A O no hydrogen 2.723 N/A SER 203.A OG PHE 201.A O no hydrogen 2.901 N/A GLU 208.A N SER 205.A OG no hydrogen 3.196 N/A THR 209.A N SER 205.A O no hydrogen 2.985 N/A THR 209.A OG1 SER 205.A O no hydrogen 2.959 N/A HIS 210.A N HIS 206.A O no hydrogen 2.913 N/A ARG 211.A N THR 207.A O no hydrogen 2.976 N/A ARG 211.A NH1 GLU 208.A OE2 no hydrogen 3.162 N/A ARG 212.A N GLU 208.A O no hydrogen 2.947 N/A ARG 212.A NE ASP 217.A OD2 no hydrogen 2.879 N/A ARG 212.A NH1 ASP 202.A O no hydrogen 3.103 N/A ARG 212.A NH2 ASP 217.A O no hydrogen 2.900 N/A ILE 213.A N THR 209.A O no hydrogen 2.937 N/A VAL 214.A N HIS 210.A O no hydrogen 2.996 N/A ASN 215.A N ARG 211.A O no hydrogen 3.106 N/A VAL 216.A N ILE 213.A O no hydrogen 2.897 N/A ASP 217.A N ARG 212.A O no hydrogen 2.854 N/A LEU 218.A N VAL 216.A O no hydrogen 2.828 N/A LYS 219.A NZ ASP 217.A OD1 no hydrogen 2.863 N/A LYS 219.A NZ ASP 217.A OD2 no hydrogen 3.126 N/A LEU 224.A N PRO 221.A O no hydrogen 3.378 N/A SER 225.A OG GLU 103.A OE2 no hydrogen 2.678 N/A SER 225.A OG SER 228.A OG no hydrogen 3.199 N/A SER 228.A N SER 225.A OG no hydrogen 3.070 N/A SER 228.A OG SER 225.A O no hydrogen 3.080 N/A SER 228.A OG SER 225.A OG no hydrogen 3.199 N/A LYS 229.A N SER 225.A O no hydrogen 3.075 N/A ASP 230.A N ASP 226.A O no hydrogen 2.936 N/A LEU 231.A N GLY 227.A O no hydrogen 3.095 N/A ILE 232.A N SER 228.A O no hydrogen 3.010 N/A SER 233.A N LYS 229.A O no hydrogen 2.840 N/A SER 233.A OG LYS 229.A O no hydrogen 2.874 N/A LYS 234.A N ASP 230.A O no hydrogen 3.080 N/A LYS 234.A NZ ASP 230.A OD2 no hydrogen 2.979 N/A LEU 235.A N LEU 231.A O no hydrogen 3.095 N/A LEU 235.A N ILE 232.A O no hydrogen 3.122 N/A LEU 236.A N ILE 232.A O no hydrogen 2.929 N/A TYR 238.A OH GLU 174.A OE2 no hydrogen 2.690 N/A GLN 242.A N HIS 239.A O no hydrogen 2.937 N/A ARG 243.A N PRO 240.A O no hydrogen 3.052 N/A ARG 243.A NE ARG 237.A O no hydrogen 2.814 N/A ARG 243.A NH1 GLU 171.A OE2 no hydrogen 2.802 N/A ARG 243.A NH1 LYS 181.A O no hydrogen 3.080 N/A ARG 243.A NH2 GLU 171.A OE1 no hydrogen 2.854 N/A ARG 243.A NH2 ARG 237.A O no hydrogen 3.083 N/A LEU 244.A N LYS 234.A O no hydrogen 2.970 N/A LYS 247.A NZ HIS 118.A NE2 no hydrogen 3.117 N/A VAL 249.A N PRO 245.A O no hydrogen 2.970 N/A MET 250.A N LEU 246.A O no hydrogen 3.118 N/A GLU 251.A N LYS 247.A O no hydrogen 3.093 N/A HIS 252.A N VAL 249.A O no hydrogen 3.089 N/A HIS 252.A NE2 ASP 230.A OD2 no hydrogen 2.802 N/A TRP 254.A N HIS 252.A ND1 no hydrogen 3.009 N/A TRP 254.A NE1 GLU 103.A OE2 no hydrogen 2.721 N/A LYS 256.A N HIS 252.A O no hydrogen 2.946 N/A ALA 257.A N PRO 253.A O no hydrogen 2.890 N/A ASN 258.A N TRP 254.A O no hydrogen 3.157 N/A ASN 258.A N VAL 255.A O no hydrogen 3.361 N/A ASN 258.A ND2 TRP 254.A O no hydrogen 2.926 N/A SER 259.A N VAL 255.A O no hydrogen 2.829 N/A SER 259.A OG GLU 111.A OE1 no hydrogen 2.687 N/A ARG 260.A N THR 108.A OG1 no hydrogen 2.841 N/A ARG 261.A N SER 259.A OG no hydrogen 3.136 N/A ARG 261.A NH1 GLU 111.A OE2 no hydrogen 3.480 N/A ARG 261.A NH1 ASP 115.A OD2 no hydrogen 3.078 N/A ARG 261.A NH2 ASP 115.A OD2 no hydrogen 2.558 N/A