Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4p96_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 275.A OE1 no hydrogen 3.486 N/A LYS 3.A NZ ASP 276.A O no hydrogen 3.103 N/A GLY 9.A N SER 6.A OG no hydrogen 2.800 N/A PHE 10.A N SER 6.A O no hydrogen 2.751 N/A ALA 11.A N PRO 7.A O no hydrogen 2.762 N/A GLU 12.A N ALA 8.A O no hydrogen 2.934 N/A LYS 13.A N GLY 9.A O no hydrogen 3.167 N/A LYS 13.A NZ LYS 3.A O no hydrogen 2.746 N/A LYS 13.A NZ ASP 276.A OD2 no hydrogen 3.139 N/A TYR 14.A N PHE 10.A O no hydrogen 2.802 N/A ILE 15.A N ALA 11.A O no hydrogen 3.139 N/A ILE 16.A N GLU 12.A O no hydrogen 3.193 N/A GLU 17.A N LYS 13.A O no hydrogen 2.920 N/A SER 18.A N TYR 14.A O no hydrogen 3.055 N/A SER 18.A OG TYR 14.A O no hydrogen 2.897 N/A ILE 19.A N ILE 15.A O no hydrogen 2.886 N/A TRP 20.A N ILE 16.A O no hydrogen 2.942 N/A ASN 21.A N GLU 17.A O no hydrogen 2.974 N/A ARG 23.A N ASN 21.A OD1 no hydrogen 3.083 N/A PHE 24.A N SER 18.A O no hydrogen 2.730 N/A GLY 27.A N VAL 70.A O no hydrogen 2.646 N/A SER 28.A N PRO 25.A O no hydrogen 2.910 N/A SER 28.A OG PRO 25.A O no hydrogen 2.366 N/A LEU 30.A N THR 68.A O no hydrogen 2.762 N/A LEU 36.A N ALA 32.A O no hydrogen 2.761 N/A SER 37.A N GLU 33.A O no hydrogen 2.813 N/A SER 37.A OG VAL 42.A O no hydrogen 2.630 N/A LEU 39.A N GLU 35.A O no hydrogen 3.064 N/A ILE 40.A N LEU 36.A O no hydrogen 2.980 N/A GLY 41.A N SER 37.A O no hydrogen 2.826 N/A THR 43.A OG1 THR 45.A OG1 no hydrogen 3.418 N/A THR 45.A OG1 THR 43.A OG1 no hydrogen 3.418 N/A THR 46.A N THR 43.A OG1 no hydrogen 3.382 N/A THR 46.A OG1 THR 43.A OG1 no hydrogen 3.095 N/A LEU 47.A N THR 43.A O no hydrogen 2.813 N/A ARG 48.A N ARG 44.A O no hydrogen 3.023 N/A VAL 50.A N THR 46.A O no hydrogen 3.226 N/A LEU 51.A N LEU 47.A O no hydrogen 2.888 N/A GLN 52.A N ARG 48.A O no hydrogen 3.104 N/A ARG 53.A N GLU 49.A O no hydrogen 2.976 N/A ARG 53.A NH1 ASP 57.A OD1 no hydrogen 3.533 N/A LEU 54.A N VAL 50.A O no hydrogen 2.891 N/A ALA 55.A N LEU 51.A O no hydrogen 2.930 N/A ARG 56.A N GLN 52.A O no hydrogen 2.928 N/A ASP 57.A N ARG 53.A O no hydrogen 2.932 N/A GLY 58.A N ALA 55.A O no hydrogen 3.031 N/A TRP 59.A N LEU 54.A O no hydrogen 2.802 N/A LEU 60.A N LEU 54.A O no hydrogen 3.427 N/A THR 61.A N LYS 69.A O no hydrogen 2.926 N/A THR 61.A OG1 ASN 71.A OD1 no hydrogen 2.452 N/A LYS 66.A NZ GLN 63.A OE1 no hydrogen 3.180 N/A LYS 69.A N THR 61.A O no hydrogen 3.306 N/A VAL 70.A N SER 28.A O no hydrogen 2.892 N/A ASN 71.A N TRP 59.A O no hydrogen 3.043 N/A ASN 71.A ND2 GLY 58.A O no hydrogen 3.068 N/A ASN 71.A ND2 THR 76.A OG1 no hydrogen 3.333 N/A GLU 75.A N GLN 72.A O no hydrogen 3.071 N/A THR 76.A OG1 GLY 58.A O no hydrogen 2.772 N/A SER 77.A OG ASP 57.A O no hydrogen 2.845 N/A HIS 80.A NE2 ASP 57.A O no hydrogen 3.015 N/A ILE 81.A N GLY 78.A O no hydrogen 3.223 N/A LEU 82.A N LEU 79.A O no hydrogen 3.310 N/A LEU 85.A N ILE 81.A O no hydrogen 2.820 N/A MET 86.A N LEU 82.A O no hydrogen 3.081 N/A THR 87.A N ASP 83.A O no hydrogen 3.454 N/A THR 87.A OG1 ASP 83.A O no hydrogen 3.364 N/A THR 87.A OG1 THR 274.A O no hydrogen 3.364 N/A LEU 88.A N THR 84.A O no hydrogen 3.086 N/A ASP 89.A N LEU 85.A O no hydrogen 2.904 N/A GLU 91.A N ASP 89.A OD1 no hydrogen 3.372 N/A ASN 92.A N ASP 89.A O no hydrogen 3.022 N/A ALA 93.A N ALA 90.A O no hydrogen 2.991 N/A SER 95.A OG ASN 92.A O no hydrogen 3.051 N/A ILE 96.A N ASN 92.A O no hydrogen 3.264 N/A VAL 97.A N ALA 93.A O no hydrogen 3.037 N/A GLU 98.A N THR 94.A O no hydrogen 3.102 N/A ASP 99.A N SER 95.A O no hydrogen 3.093 N/A LEU 100.A N ILE 96.A O no hydrogen 3.146 N/A LEU 101.A N VAL 97.A O no hydrogen 2.880 N/A ALA 102.A N GLU 98.A O no hydrogen 2.923 N/A ALA 103.A N ASP 99.A O no hydrogen 2.887 N/A ARG 104.A N LEU 100.A O no hydrogen 2.964 N/A ARG 104.A NH1 TYR 211.A OH no hydrogen 2.929 N/A THR 105.A N LEU 101.A O no hydrogen 3.031 N/A THR 105.A OG1 LEU 101.A O no hydrogen 2.998 N/A ASN 106.A N ALA 102.A O no hydrogen 2.957 N/A ILE 107.A N ALA 103.A O no hydrogen 2.962 N/A SER 108.A N ARG 104.A O no hydrogen 3.009 N/A SER 108.A OG ARG 104.A O no hydrogen 2.875 N/A ILE 110.A N ILE 107.A O no hydrogen 2.992 N/A PHE 111.A N ILE 107.A O no hydrogen 3.284 N/A MET 112.A N SER 108.A O no hydrogen 2.952 N/A TYR 114.A N ILE 110.A O no hydrogen 3.221 N/A ALA 115.A N PHE 111.A O no hydrogen 2.896 N/A PHE 116.A N MET 112.A O no hydrogen 2.941 N/A LYS 117.A N ARG 113.A O no hydrogen 3.183 N/A LYS 117.A N TYR 114.A O no hydrogen 3.216 N/A LEU 118.A N TYR 114.A O no hydrogen 2.833 N/A ASN 119.A N ALA 115.A O no hydrogen 2.864 N/A ASN 119.A ND2 HIS 194.A O no hydrogen 2.667 N/A LYS 120.A NZ GLU 124.A OE2 no hydrogen 2.644 N/A ALA 123.A N ASN 119.A O no hydrogen 2.882 N/A GLU 124.A N LYS 120.A O no hydrogen 3.080 N/A ARG 125.A N GLU 121.A O no hydrogen 3.005 N/A ARG 125.A NH2 GLU 121.A OE2 no hydrogen 3.017 N/A ILE 126.A N SER 122.A O no hydrogen 2.992 N/A MET 127.A N ALA 123.A O no hydrogen 3.030 N/A ILE 128.A N GLU 124.A O no hydrogen 2.862 N/A ASN 129.A N ARG 125.A O no hydrogen 3.030 N/A ASN 129.A ND2 ARG 125.A O no hydrogen 2.394 N/A VAL 130.A N ILE 126.A O no hydrogen 2.916 N/A ILE 131.A N MET 127.A O no hydrogen 2.851 N/A GLU 132.A N ILE 128.A O no hydrogen 3.098 N/A SER 133.A N ASN 129.A O no hydrogen 3.025 N/A SER 133.A OG ASN 129.A O no hydrogen 2.809 N/A CYS 134.A N VAL 130.A O no hydrogen 2.992 N/A CYS 134.A SG VAL 130.A O no hydrogen 3.249 N/A GLU 135.A N ILE 131.A O no hydrogen 2.926 N/A ALA 136.A N GLU 132.A O no hydrogen 2.844 N/A LEU 137.A N SER 133.A O no hydrogen 2.801 N/A VAL 138.A N CYS 134.A O no hydrogen 3.119 N/A ASN 139.A N GLU 135.A O no hydrogen 3.184 N/A ASN 139.A ND2 GLU 135.A O no hydrogen 2.849 N/A TRP 143.A N GLN 172.A OE1 no hydrogen 2.925 N/A TRP 143.A NE1 THR 179.A OG1 no hydrogen 2.652 N/A ALA 145.A N SER 142.A O no hydrogen 3.021 N/A ALA 145.A N SER 142.A OG no hydrogen 2.883 N/A PHE 146.A N SER 142.A O no hydrogen 3.126 N/A ILE 147.A N TRP 143.A O no hydrogen 2.902 N/A ALA 148.A N ASP 144.A O no hydrogen 3.241 N/A ALA 149.A N ALA 145.A O no hydrogen 3.264 N/A ALA 149.A N PHE 146.A O no hydrogen 3.203 N/A TYR 152.A N SER 150.A OG no hydrogen 3.058 N/A ALA 153.A N SER 150.A O no hydrogen 3.066 N/A ILE 156.A N TYR 152.A O no hydrogen 2.968 N/A GLN 157.A N ALA 153.A O no hydrogen 2.968 N/A GLN 158.A N LYS 155.A O no hydrogen 3.347 N/A HIS 159.A N ILE 156.A O no hydrogen 3.292 N/A VAL 160.A N ILE 156.A O no hydrogen 2.878 N/A SER 164.A N GLU 162.A OE2 no hydrogen 3.141 N/A GLU 165.A N GLU 162.A OE2 no hydrogen 2.825 N/A LYS 166.A NZ ASP 163.A O no hydrogen 2.776 N/A ASP 167.A N GLU 165.A OE1 no hydrogen 3.206 N/A LEU 169.A N ASP 167.A OD2 no hydrogen 2.900 N/A LYS 170.A N ASP 167.A OD2 no hydrogen 3.225 N/A ARG 171.A N ASP 167.A O no hydrogen 2.758 N/A ARG 171.A NE GLU 162.A O no hydrogen 3.027 N/A ARG 171.A NH1 ASP 144.A OD1 no hydrogen 3.097 N/A ARG 171.A NH1 GLU 168.A OE1 no hydrogen 2.721 N/A ARG 171.A NH2 ASP 144.A OD2 no hydrogen 3.432 N/A GLN 172.A N GLU 168.A O no hydrogen 2.837 N/A GLN 172.A NE2 ASP 144.A OD1 no hydrogen 3.490 N/A GLN 172.A NE2 GLU 168.A OE1 no hydrogen 2.814 N/A GLU 173.A N LEU 169.A O no hydrogen 2.988 N/A ILE 174.A N LYS 170.A O no hydrogen 2.979 N/A LEU 175.A N ARG 171.A O no hydrogen 2.956 N/A ILE 176.A N GLN 172.A O no hydrogen 2.937 N/A ALA 177.A N GLU 173.A O no hydrogen 3.159 N/A LYS 178.A N ILE 174.A O no hydrogen 2.976 N/A THR 179.A N LEU 175.A O no hydrogen 3.026 N/A THR 179.A OG1 LEU 175.A O no hydrogen 2.629 N/A PHE 180.A N ILE 176.A O no hydrogen 2.864 N/A ASN 181.A N ALA 177.A O no hydrogen 2.965 N/A ASN 181.A ND2 ASP 212.A OD1 no hydrogen 3.008 N/A PHE 182.A N LYS 178.A O no hydrogen 3.027 N/A TYR 183.A N THR 179.A O no hydrogen 3.259 N/A ASP 184.A N PHE 180.A O no hydrogen 2.920 N/A TYR 185.A N ASN 181.A O no hydrogen 2.819 N/A TYR 185.A OH ASN 205.A OD1 no hydrogen 3.009 N/A MET 186.A N PHE 182.A O no hydrogen 3.107 N/A LEU 187.A N TYR 183.A O no hydrogen 2.906 N/A PHE 188.A N ASP 184.A O no hydrogen 3.188 N/A GLN 189.A N TYR 185.A O no hydrogen 2.743 N/A GLN 189.A NE2 ASN 205.A OD1 no hydrogen 2.923 N/A ARG 190.A N MET 186.A O no hydrogen 2.926 N/A LEU 191.A N LEU 187.A O no hydrogen 3.269 N/A ALA 192.A N PHE 188.A O no hydrogen 3.018 N/A PHE 193.A N GLN 189.A O no hydrogen 3.063 N/A HIS 194.A N ARG 190.A O no hydrogen 2.868 N/A HIS 194.A ND1 ARG 190.A O no hydrogen 2.639 N/A SER 195.A N ALA 192.A O no hydrogen 3.215 N/A SER 195.A OG ALA 192.A O no hydrogen 2.554 N/A GLY 196.A N PHE 193.A O no hydrogen 3.371 N/A ASN 197.A N SER 195.A OG no hydrogen 3.138 N/A ILE 199.A N ASN 197.A OD1 no hydrogen 2.978 N/A TYR 200.A N ASN 197.A O no hydrogen 3.239 N/A LEU 202.A N GLN 198.A O no hydrogen 3.073 N/A ILE 203.A N ILE 199.A O no hydrogen 3.075 N/A ASN 205.A N GLY 201.A O no hydrogen 3.073 N/A GLY 206.A N LEU 202.A O no hydrogen 2.978 N/A LEU 207.A N ILE 203.A O no hydrogen 3.132 N/A LYS 208.A N ASN 205.A O no hydrogen 3.431 N/A LYS 208.A NZ ASP 212.A OD2 no hydrogen 2.633 N/A TYR 211.A N LEU 207.A O no hydrogen 2.770 N/A TYR 211.A OH ASP 184.A OD2 no hydrogen 2.553 N/A ASP 212.A N LYS 208.A O no hydrogen 2.681 N/A ARG 213.A N LYS 209.A O no hydrogen 2.982 N/A ARG 213.A NE ASP 83.A OD1 no hydrogen 2.648 N/A ARG 213.A NH1 PHE 273.A O no hydrogen 2.819 N/A ARG 213.A NH2 ASP 83.A OD1 no hydrogen 3.298 N/A ARG 213.A NH2 ASP 83.A OD2 no hydrogen 3.059 N/A VAL 214.A N LEU 210.A O no hydrogen 2.952 N/A GLY 215.A N TYR 211.A O no hydrogen 2.901 N/A SER 216.A N ASP 212.A O no hydrogen 3.040 N/A SER 216.A OG ASP 212.A O no hydrogen 2.695 N/A TYR 217.A N VAL 214.A O no hydrogen 3.258 N/A TYR 217.A OH MET 265.A O no hydrogen 2.224 N/A TYR 218.A N VAL 214.A O no hydrogen 2.921 N/A PHE 219.A N GLY 215.A O no hydrogen 2.854 N/A SER 220.A N TYR 217.A O no hydrogen 3.185 N/A SER 220.A OG TYR 217.A O no hydrogen 2.579 N/A ASN 221.A N TYR 218.A O no hydrogen 3.421 N/A GLN 223.A N ASN 221.A OD1 no hydrogen 2.826 N/A ALA 224.A N ASN 221.A O no hydrogen 3.052 N/A ARG 225.A N ASN 221.A O no hydrogen 3.217 N/A ARG 225.A NH1 PHE 219.A O no hydrogen 2.694 N/A GLU 226.A N PRO 222.A O no hydrogen 3.063 N/A LEU 227.A N GLN 223.A O no hydrogen 2.993 N/A ALA 228.A N ALA 224.A O no hydrogen 2.971 N/A MET 229.A N ARG 225.A O no hydrogen 2.939 N/A GLU 230.A N GLU 226.A O no hydrogen 3.031 N/A PHE 231.A N LEU 227.A O no hydrogen 2.978 N/A TYR 232.A N ALA 228.A O no hydrogen 2.781 N/A TYR 232.A OH ASP 184.A OD1 no hydrogen 2.448 N/A ARG 233.A N MET 229.A O no hydrogen 3.179 N/A ARG 233.A NH2 GLU 135.A OE2 no hydrogen 2.296 N/A GLN 234.A N GLU 230.A O no hydrogen 3.049 N/A LEU 235.A N PHE 231.A O no hydrogen 3.005 N/A LEU 236.A N TYR 232.A O no hydrogen 2.967 N/A ALA 237.A N ARG 233.A O no hydrogen 2.950 N/A VAL 238.A N GLN 234.A O no hydrogen 2.994 N/A CYS 239.A N LEU 235.A O no hydrogen 3.133 N/A CYS 239.A SG GLU 124.A OE2 no hydrogen 3.207 N/A GLN 240.A N LEU 236.A O no hydrogen 2.996 N/A SER 241.A N ALA 237.A O no hydrogen 2.897 N/A SER 241.A OG ALA 237.A O no hydrogen 2.847 N/A SER 241.A OG VAL 238.A O no hydrogen 3.475 N/A GLY 242.A N VAL 238.A O no hydrogen 3.093 N/A GLU 243.A N SER 241.A OG no hydrogen 3.154 N/A ARG 244.A N GLY 242.A O no hydrogen 2.815 N/A GLU 245.A N GLU 245.A OE2 no hydrogen 2.478 N/A HIS 246.A N GLU 243.A O no hydrogen 3.003 N/A LEU 247.A N ARG 244.A O no hydrogen 3.297 N/A VAL 250.A N HIS 246.A O no hydrogen 2.875 N/A ILE 251.A N LEU 247.A O no hydrogen 3.117 N/A ARG 252.A N PRO 248.A O no hydrogen 2.968 N/A GLN 253.A N GLN 249.A O no hydrogen 3.024 N/A TYR 254.A N VAL 250.A O no hydrogen 3.026 N/A GLY 255.A N ILE 251.A O no hydrogen 2.887 N/A ILE 256.A N ARG 252.A O no hydrogen 3.060 N/A ALA 257.A N GLN 253.A O no hydrogen 2.891 N/A SER 258.A N TYR 254.A O no hydrogen 2.853 N/A SER 258.A OG TYR 254.A O no hydrogen 2.601 N/A SER 258.A OG GLY 255.A O no hydrogen 3.418 N/A GLY 259.A N GLY 255.A O no hydrogen 3.052 N/A HIS 260.A N ILE 256.A O no hydrogen 3.132 N/A ILE 261.A N ALA 257.A O no hydrogen 3.333 N/A TRP 262.A N SER 258.A O no hydrogen 3.006 N/A ASN 263.A N GLY 259.A O no hydrogen 2.806 N/A GLN 264.A N HIS 260.A O no hydrogen 3.124 N/A GLN 264.A N ILE 261.A O no hydrogen 3.030 N/A MET 265.A N ILE 261.A O no hydrogen 2.850 N/A LYS 266.A N TRP 262.A O no hydrogen 2.755 N/A LYS 266.A NZ GLU 98.A OE1 no hydrogen 2.690 N/A LYS 266.A NZ ASN 263.A OD1 no hydrogen 3.435 N/A MET 267.A N GLN 264.A O no hydrogen 3.391 N/A THR 268.A N MET 265.A O no hydrogen 3.081 N/A THR 268.A OG1 TYR 217.A OH no hydrogen 3.265 N/A THR 268.A OG1 MET 265.A O no hydrogen 3.330 N/A PHE 273.A N PRO 270.A O no hydrogen 3.023 N/A GLU 275.A N ASN 272.A O no hydrogen 3.303 N/A