Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kba_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N LEU 9.A O no hydrogen 3.360 N/A VAL 3.A N TYR 7.A O no hydrogen 2.744 N/A ARG 6.A NE ASP 26.A OD1 no hydrogen 2.906 N/A ARG 6.A NH2 ASP 26.A OD1 no hydrogen 3.262 N/A ARG 6.A NH2 ASP 26.A OD2 no hydrogen 2.797 N/A TYR 7.A N VAL 3.A O no hydrogen 2.882 N/A ARG 8.A N THR 25.A O no hydrogen 2.891 N/A LEU 9.A N LEU 1.A O no hydrogen 2.678 N/A GLY 10.A N LEU 23.A O no hydrogen 2.806 N/A LYS 12.A NZ GLY 14.A O no hydrogen 3.026 N/A LYS 12.A NZ ASP 20.A OD2 no hydrogen 3.302 N/A ILE 13.A N ILE 21.A O no hydrogen 2.861 N/A GLY 14.A N ILE 21.A O no hydrogen 3.304 N/A SER 15.A OG ASP 20.A OD1 no hydrogen 2.721 N/A GLY 16.A N GLY 19.A O no hydrogen 2.700 N/A SER 17.A N ASP 147.A OD2 no hydrogen 2.955 N/A SER 17.A OG ASP 147.A OD1 no hydrogen 2.572 N/A SER 17.A OG ASP 147.A OD2 no hydrogen 3.518 N/A ILE 21.A N GLY 14.A O no hydrogen 2.945 N/A TYR 22.A N ILE 35.A O no hydrogen 2.782 N/A LEU 23.A N ARG 11.A O no hydrogen 2.981 N/A GLY 24.A N VAL 33.A O no hydrogen 2.958 N/A THR 25.A N ARG 8.A O no hydrogen 2.940 N/A THR 25.A OG1 GLU 32.A OE2 no hydrogen 2.575 N/A ASP 26.A N GLU 31.A O no hydrogen 2.612 N/A ILE 27.A N ARG 6.A O no hydrogen 2.807 N/A ALA 29.A N ASP 26.A OD1 no hydrogen 3.267 N/A GLU 31.A N ASP 26.A O no hydrogen 3.107 N/A VAL 33.A N GLY 24.A O no hydrogen 2.747 N/A ALA 34.A N MET 80.A O no hydrogen 2.910 N/A ILE 35.A N TYR 22.A O no hydrogen 2.816 N/A LYS 36.A N MET 78.A O no hydrogen 2.823 N/A LYS 36.A NZ GLU 50.A OE2 no hydrogen 2.814 N/A LEU 37.A N ASP 20.A O no hydrogen 3.041 N/A GLU 38.A N ASN 76.A O no hydrogen 3.091 N/A VAL 40.A N ASP 74.A O no hydrogen 2.928 N/A THR 42.A N CYS 39.A O no hydrogen 3.242 N/A GLN 46.A N GLU 38.A OE2 no hydrogen 2.651 N/A GLN 46.A NE2 GLU 50.A OE2 no hydrogen 3.182 N/A LEU 47.A N GLU 38.A OE2 no hydrogen 2.916 N/A GLU 50.A N GLN 46.A O no hydrogen 2.953 N/A SER 51.A N LEU 47.A O no hydrogen 3.049 N/A SER 51.A OG LEU 47.A O no hydrogen 2.811 N/A LYS 52.A N HIS 48.A O no hydrogen 3.119 N/A ILE 53.A N ILE 49.A O no hydrogen 3.144 N/A TYR 54.A N GLU 50.A O no hydrogen 2.910 N/A LYS 55.A N SER 51.A O no hydrogen 2.840 N/A MET 56.A N LYS 52.A O no hydrogen 2.911 N/A MET 57.A N ILE 53.A O no hydrogen 2.970 N/A GLN 58.A N LYS 55.A O no hydrogen 3.322 N/A GLN 58.A NE2 TYR 54.A O no hydrogen 2.926 N/A GLN 58.A NE2 PRO 64.A O no hydrogen 2.822 N/A GLY 60.A N MET 57.A O no hydrogen 3.378 N/A ILE 63.A N GLY 60.A O no hydrogen 3.318 N/A THR 65.A N GLU 81.A OE1 no hydrogen 2.879 N/A THR 65.A OG1 GLU 81.A OE1 no hydrogen 3.247 N/A ILE 66.A N GLN 58.A OE1 no hydrogen 3.293 N/A ARG 67.A N VAL 79.A O no hydrogen 2.729 N/A ARG 67.A NH1 GLU 31.A OE1 no hydrogen 3.376 N/A TRP 68.A N VAL 79.A O no hydrogen 3.320 N/A CYS 69.A SG SER 51.A OG no hydrogen 3.457 N/A GLY 70.A N VAL 77.A O no hydrogen 2.951 N/A GLU 72.A N TYR 75.A O no hydrogen 2.793 N/A TYR 75.A N GLU 72.A O no hydrogen 2.903 N/A VAL 77.A N GLY 70.A O no hydrogen 2.736 N/A MET 78.A N LYS 36.A O no hydrogen 2.945 N/A VAL 79.A N TRP 68.A O no hydrogen 2.762 N/A MET 80.A N ALA 34.A O no hydrogen 2.828 N/A GLU 81.A N THR 65.A O no hydrogen 2.996 N/A GLY 84.A N MET 134.A O no hydrogen 2.680 N/A SER 86.A N ASP 89.A OD2 no hydrogen 3.519 N/A LEU 87.A N PHE 132.A O no hydrogen 2.947 N/A ASP 89.A N SER 86.A OG no hydrogen 2.982 N/A LEU 90.A N SER 86.A O no hydrogen 2.814 N/A PHE 91.A N LEU 87.A O no hydrogen 2.772 N/A ASN 92.A N GLU 88.A O no hydrogen 3.086 N/A ASN 92.A ND2 GLU 88.A OE1 no hydrogen 3.434 N/A PHE 93.A N ASP 89.A O no hydrogen 2.987 N/A CYS 94.A N LEU 90.A O no hydrogen 3.033 N/A CYS 94.A N PHE 91.A O no hydrogen 3.102 N/A CYS 94.A SG LEU 90.A O no hydrogen 3.237 N/A SER 95.A N ASN 92.A O no hydrogen 3.181 N/A ARG 96.A N PHE 91.A O no hydrogen 2.801 N/A ARG 96.A NH1 GLU 88.A OE1 no hydrogen 3.250 N/A ARG 96.A NH1 ASN 92.A OD1 no hydrogen 2.703 N/A ARG 96.A NH2 TYR 185.A OH no hydrogen 2.714 N/A ARG 96.A NH2 GLY 189.A O no hydrogen 3.255 N/A SER 99.A N ASP 259.A OD2 no hydrogen 2.653 N/A SER 99.A OG ASP 259.A OD1 no hydrogen 2.690 N/A SER 99.A OG ASP 259.A OD2 no hydrogen 3.458 N/A LYS 101.A NZ SER 253.A O no hydrogen 3.547 N/A LYS 101.A NZ ASP 255.A OD1 no hydrogen 2.800 N/A LYS 101.A NZ ASP 255.A OD2 no hydrogen 3.412 N/A THR 102.A N SER 99.A OG no hydrogen 3.261 N/A VAL 103.A N SER 99.A O no hydrogen 3.078 N/A LEU 104.A N LEU 100.A O no hydrogen 2.923 N/A LEU 105.A N LYS 101.A O no hydrogen 2.905 N/A LEU 106.A N THR 102.A O no hydrogen 2.924 N/A ALA 107.A N VAL 103.A O no hydrogen 2.842 N/A ASP 108.A N LEU 104.A O no hydrogen 3.089 N/A GLN 109.A NE2 ASN 141.A O no hydrogen 2.906 N/A MET 110.A N LEU 106.A O no hydrogen 2.897 N/A ILE 111.A N ALA 107.A O no hydrogen 3.010 N/A SER 112.A N ASP 108.A O no hydrogen 3.466 N/A SER 112.A OG ASP 108.A O no hydrogen 3.276 N/A ARG 113.A N GLN 109.A O no hydrogen 2.934 N/A ARG 113.A NE VAL 143.A O no hydrogen 2.691 N/A ARG 113.A NH2 GLN 109.A OE1 no hydrogen 2.911 N/A ILE 114.A N MET 110.A O no hydrogen 3.154 N/A GLU 115.A N ILE 111.A O no hydrogen 2.900 N/A TYR 116.A N SER 112.A O no hydrogen 2.984 N/A TYR 116.A OH MET 57.A O no hydrogen 3.257 N/A ILE 117.A N ARG 113.A O no hydrogen 3.188 N/A HIS 118.A N ILE 114.A O no hydrogen 3.027 N/A HIS 118.A ND1 TYR 236.A OH no hydrogen 2.635 N/A HIS 118.A NE2 ASP 175.A OD2 no hydrogen 2.632 N/A SER 119.A N GLU 115.A O no hydrogen 2.855 N/A SER 119.A OG TYR 116.A O no hydrogen 2.556 N/A LYS 120.A N TYR 116.A O no hydrogen 3.162 N/A LYS 120.A N ILE 117.A O no hydrogen 3.140 N/A ASN 121.A N HIS 118.A O no hydrogen 3.036 N/A PHE 122.A N ILE 117.A O no hydrogen 3.206 N/A ILE 123.A N LYS 152.A O no hydrogen 2.918 N/A HIS 124.A N ASP 175.A OD2 no hydrogen 2.796 N/A HIS 124.A NE2 ILE 146.A O no hydrogen 2.914 N/A ARG 125.A N ASP 175.A OD1 no hydrogen 2.873 N/A ARG 125.A NE LEU 150.A O no hydrogen 2.726 N/A ARG 125.A NH2 LEU 150.A O no hydrogen 2.943 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.083 N/A ASN 131.A N LYS 128.A O no hydrogen 3.081 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.952 N/A PHE 132.A N PRO 129.A O no hydrogen 3.285 N/A LEU 133.A N TYR 144.A O no hydrogen 2.882 N/A MET 134.A N PRO 85.A O no hydrogen 3.050 N/A GLY 135.A N LEU 142.A O no hydrogen 3.001 N/A LYS 139.A N LEU 136.A O no hydrogen 2.975 N/A GLY 140.A N GLY 137.A O no hydrogen 3.125 N/A LEU 142.A N LYS 139.A O no hydrogen 3.047 N/A VAL 143.A N GLN 109.A OE1 no hydrogen 2.756 N/A TYR 144.A N LEU 133.A O no hydrogen 2.613 N/A ILE 145.A N GLY 62.A O no hydrogen 3.022 N/A ILE 146.A N ASN 131.A O no hydrogen 2.912 N/A ASP 147.A N TYR 54.A OH no hydrogen 2.931 N/A PHE 148.A N GLU 50.A OE1 no hydrogen 2.781 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 3.178 N/A ALA 151.A N PHE 148.A O no hydrogen 3.254 N/A LYS 152.A N ILE 123.A O no hydrogen 3.140 N/A LYS 152.A NZ GLU 169.A OE1 no hydrogen 3.395 N/A LYS 152.A NZ GLU 169.A OE2 no hydrogen 3.246 N/A TYR 154.A N ASN 121.A O no hydrogen 2.995 N/A TYR 154.A OH HIS 118.A O no hydrogen 2.616 N/A THR 156.A OG1 ASP 126.A OD1 no hydrogen 2.940 N/A ARG 158.A NH1 TYR 159.A OH no hydrogen 2.990 N/A TYR 159.A N THR 156.A O no hydrogen 3.256 N/A SER 161.A OG THR 164.A OG1 no hydrogen 2.946 N/A SER 161.A OG ASP 174.A OD1 no hydrogen 2.587 N/A ILE 162.A N GLU 177.A OE2 no hydrogen 3.048 N/A ASN 163.A ND2 ASP 174.A OD1 no hydrogen 3.153 N/A THR 164.A N SER 161.A O no hydrogen 3.109 N/A THR 164.A N SER 161.A OG no hydrogen 3.093 N/A THR 164.A OG1 SER 161.A OG no hydrogen 2.946 N/A HIS 165.A N SER 161.A O no hydrogen 3.170 N/A LEU 166.A N ILE 162.A O no hydrogen 3.020 N/A GLY 167.A N THR 164.A O no hydrogen 2.879 N/A ILE 168.A N ASN 163.A O no hydrogen 2.910 N/A GLN 170.A NE2 ARG 125.A O no hydrogen 3.381 N/A SER 171.A N ASP 174.A OD2 no hydrogen 2.683 N/A SER 171.A OG ASP 174.A OD2 no hydrogen 3.364 N/A SER 171.A OG PHE 230.A O no hydrogen 2.948 N/A ARG 172.A NH2 ASP 231.A O no hydrogen 2.855 N/A ARG 173.A NH1 LEU 228.A O no hydrogen 3.060 N/A ASP 174.A N SER 171.A O no hydrogen 3.137 N/A LEU 176.A N ARG 172.A O no hydrogen 3.436 N/A GLU 177.A N ARG 173.A O no hydrogen 2.819 N/A SER 178.A N ASP 174.A O no hydrogen 2.990 N/A SER 178.A OG TYR 159.A O no hydrogen 2.669 N/A SER 178.A OG ASP 174.A O no hydrogen 3.174 N/A LEU 179.A N ASP 175.A O no hydrogen 3.119 N/A GLY 180.A N LEU 176.A O no hydrogen 3.045 N/A TYR 181.A N GLU 177.A O no hydrogen 3.161 N/A TYR 181.A OH GLU 177.A OE2 no hydrogen 2.651 N/A VAL 182.A N SER 178.A O no hydrogen 2.991 N/A LEU 183.A N LEU 179.A O no hydrogen 2.910 N/A MET 184.A N GLY 180.A O no hydrogen 3.213 N/A TYR 185.A N TYR 181.A O no hydrogen 2.896 N/A TYR 185.A OH GLU 88.A OE1 no hydrogen 3.097 N/A TYR 185.A OH GLU 88.A OE2 no hydrogen 2.929 N/A PHE 186.A N VAL 182.A O no hydrogen 2.956 N/A ASN 187.A N LEU 183.A O no hydrogen 3.089 N/A LEU 188.A N MET 184.A O no hydrogen 2.838 N/A GLY 189.A N TYR 185.A O no hydrogen 2.827 N/A LEU 191.A N GLN 194.A OE1 no hydrogen 3.061 N/A TRP 193.A NE1 ARG 158.A O no hydrogen 2.768 N/A GLN 194.A N LEU 191.A O no hydrogen 3.069 N/A LYS 201.A N ARG 197.A O no hydrogen 3.153 N/A LYS 202.A N ILE 198.A O no hydrogen 2.859 N/A LYS 202.A NZ ALA 157.A O no hydrogen 2.651 N/A LYS 202.A NZ ARG 158.A O no hydrogen 3.400 N/A LYS 202.A NZ ALA 160.A O no hydrogen 2.771 N/A LYS 202.A NZ HIS 165.A NE2 no hydrogen 2.789 N/A MET 203.A N SER 199.A O no hydrogen 3.028 N/A SER 204.A N GLU 200.A O no hydrogen 2.978 N/A SER 204.A OG GLU 200.A O no hydrogen 3.048 N/A SER 204.A OG LYS 201.A O no hydrogen 3.375 N/A THR 205.A N LYS 202.A O no hydrogen 3.453 N/A THR 205.A OG1 LYS 201.A O no hydrogen 2.611 N/A VAL 209.A N PRO 206.A O no hydrogen 2.867 N/A LEU 210.A N PRO 206.A O no hydrogen 3.011 N/A CYS 211.A N ILE 207.A O no hydrogen 2.904 N/A CYS 211.A SG ILE 207.A O no hydrogen 3.374 N/A LYS 212.A N VAL 209.A O no hydrogen 3.327 N/A TYR 214.A N CYS 211.A O no hydrogen 3.035 N/A GLU 217.A N GLU 217.A OE1 no hydrogen 2.852 N/A PHE 218.A N PRO 215.A O no hydrogen 3.264 N/A THR 220.A N SER 216.A O no hydrogen 2.899 N/A THR 220.A OG1 SER 216.A O no hydrogen 3.145 N/A TYR 221.A N GLU 217.A O no hydrogen 2.822 N/A TYR 221.A OH LEU 176.A O no hydrogen 2.668 N/A LEU 222.A N PHE 218.A O no hydrogen 3.213 N/A ASN 223.A N ALA 219.A O no hydrogen 2.764 N/A PHE 224.A N THR 220.A O no hydrogen 2.912 N/A CYS 225.A N TYR 221.A O no hydrogen 3.088 N/A CYS 225.A SG TYR 221.A O no hydrogen 3.441 N/A ARG 226.A N LEU 222.A O no hydrogen 2.950 N/A ARG 226.A NE GLU 177.A OE1 no hydrogen 3.403 N/A ARG 226.A NH2 ASN 163.A OD1 no hydrogen 3.267 N/A SER 227.A N PHE 224.A O no hydrogen 3.109 N/A SER 227.A OG ASN 223.A O no hydrogen 3.533 N/A SER 227.A OG PHE 224.A O no hydrogen 2.809 N/A LEU 228.A N PHE 224.A O no hydrogen 3.189 N/A LEU 228.A N CYS 225.A O no hydrogen 3.370 N/A ARG 229.A N ASP 232.A OD2 no hydrogen 2.814 N/A ARG 229.A NE ASP 232.A OD1 no hydrogen 2.940 N/A ARG 229.A NE ASP 232.A OD2 no hydrogen 3.276 N/A ARG 229.A NH2 ASP 232.A OD1 no hydrogen 3.055 N/A ASP 232.A N ARG 229.A O no hydrogen 3.230 N/A TYR 236.A N PRO 234.A O no hydrogen 3.078 N/A TYR 236.A OH HIS 118.A ND1 no hydrogen 2.635 N/A TYR 238.A N ASP 235.A OD1 no hydrogen 3.205 N/A LEU 239.A N ASP 235.A O no hydrogen 3.294 N/A ARG 240.A N TYR 236.A O no hydrogen 3.007 N/A ARG 240.A NH1 GLU 115.A OE1 no hydrogen 2.742 N/A ARG 240.A NH2 GLU 115.A OE1 no hydrogen 2.822 N/A GLN 241.A N SER 237.A O no hydrogen 2.949 N/A LEU 242.A N TYR 238.A O no hydrogen 2.914 N/A PHE 243.A N LEU 239.A O no hydrogen 3.486 N/A ARG 244.A N ARG 240.A O no hydrogen 2.798 N/A ARG 244.A NH1 GLN 241.A OE1 no hydrogen 2.805 N/A ARG 244.A NH2 ASP 108.A OD1 no hydrogen 3.133 N/A ASN 245.A N GLN 241.A O no hydrogen 2.836 N/A LEU 246.A N LEU 242.A O no hydrogen 3.373 N/A PHE 247.A N PHE 243.A O no hydrogen 2.888 N/A HIS 248.A N ARG 244.A O no hydrogen 3.048 N/A ARG 249.A N ASN 245.A O no hydrogen 2.989 N/A ARG 249.A NH1 GLU 217.A OE2 no hydrogen 3.100 N/A GLN 250.A N LEU 246.A O no hydrogen 2.910 N/A GLY 251.A N HIS 248.A O no hydrogen 3.123 N/A PHE 252.A N PHE 247.A O no hydrogen 3.231 N/A TYR 254.A OH ASP 108.A OD2 no hydrogen 2.848 N/A ASP 255.A N SER 253.A O no hydrogen 2.904 N/A VAL 257.A N ASP 255.A OD1 no hydrogen 3.024 N/A ASP 259.A N THR 102.A OG1 no hydrogen 2.924 N/A ASN 261.A N PHE 258.A O no hydrogen 3.027 N/A ASN 261.A ND2 PHE 258.A O no hydrogen 3.644 N/A MET 262.A N ASP 259.A O no hydrogen 3.169 N/A LEU 263.A N TRP 260.A O no hydrogen 3.339 N/A