Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4w8k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N LEU 3.A O no hydrogen 2.958 N/A LYS 7.A N THR 4.A O no hydrogen 3.306 N/A ARG 8.A N ASN 41.A OD1 no hydrogen 3.335 N/A ARG 8.A NH2 ASP 273.A OD1 no hydrogen 2.602 N/A ASN 9.A N ASN 41.A O no hydrogen 3.133 N/A TYR 11.A N PHE 44.A O no hydrogen 3.174 N/A LEU 13.A N GLY 46.A O no hydrogen 2.815 N/A ARG 15.A N GLU 49.A O no hydrogen 2.850 N/A CYS 16.A SG SER 14.A O no hydrogen 3.574 N/A LYS 17.A N LEU 28.A O no hydrogen 2.937 N/A VAL 18.A N SER 52.A O no hydrogen 2.760 N/A LEU 19.A N CYS 26.A O no hydrogen 2.982 N/A LYS 21.A N GLN 24.A O no hydrogen 2.946 N/A GLN 24.A N LYS 21.A O no hydrogen 2.953 N/A CYS 26.A N LEU 19.A O no hydrogen 2.954 N/A CYS 26.A SG LEU 19.A O no hydrogen 3.692 N/A CYS 26.A SG GLN 24.A O no hydrogen 3.615 N/A HIS 27.A N TYR 35.A O no hydrogen 2.808 N/A HIS 27.A ND1 HIS 29.A NE2 no hydrogen 2.979 N/A LEU 28.A N LYS 17.A O no hydrogen 2.808 N/A HIS 29.A N ASN 33.A O no hydrogen 3.042 N/A HIS 29.A NE2 HIS 27.A ND1 no hydrogen 2.979 N/A GLY 32.A N HIS 29.A O no hydrogen 3.163 N/A ASN 33.A N ASP 31.A OD1 no hydrogen 3.039 N/A ASN 33.A ND2 ASP 31.A OD2 no hydrogen 3.161 N/A TYR 35.A N HIS 27.A O no hydrogen 3.114 N/A VAL 37.A N VAL 25.A O no hydrogen 2.726 N/A ASN 41.A N PRO 38.A O no hydrogen 2.930 N/A THR 42.A OG1 PRO 38.A O no hydrogen 2.521 N/A VAL 43.A N ASN 9.A O no hydrogen 2.741 N/A ILE 45.A N ILE 67.A O no hydrogen 2.994 N/A GLY 46.A N TYR 11.A O no hydrogen 2.722 N/A LEU 47.A N PHE 69.A O no hydrogen 2.743 N/A ALA 48.A N LEU 13.A O no hydrogen 2.850 N/A GLU 49.A N GLU 49.A OE1 no hydrogen 2.640 N/A THR 51.A OG1 ALA 48.A O no hydrogen 2.569 N/A SER 52.A N CYS 16.A O no hydrogen 3.251 N/A THR 54.A N VAL 18.A O no hydrogen 3.168 N/A ALA 57.A N THR 54.A OG1 no hydrogen 3.270 N/A MET 58.A N THR 54.A O no hydrogen 3.049 N/A SER 59.A N ASN 55.A O no hydrogen 2.838 N/A MET 60.A N GLU 56.A O no hydrogen 3.241 N/A LEU 61.A N ALA 57.A O no hydrogen 2.963 N/A ALA 62.A N MET 58.A O no hydrogen 2.820 N/A ALA 63.A N SER 59.A O no hydrogen 3.007 N/A ASN 64.A N MET 60.A O no hydrogen 3.265 N/A ASN 64.A N LEU 61.A O no hydrogen 3.151 N/A ASN 64.A ND2 MET 60.A O no hydrogen 2.675 N/A GLY 65.A N ALA 62.A O no hydrogen 3.181 N/A VAL 66.A N LEU 61.A O no hydrogen 2.915 N/A ILE 67.A N VAL 43.A O no hydrogen 3.374 N/A VAL 68.A N HIS 82.A O no hydrogen 3.226 N/A PHE 69.A N ILE 45.A O no hydrogen 3.059 N/A TRP 70.A N ILE 80.A O no hydrogen 2.839 N/A THR 71.A N LEU 47.A O no hydrogen 3.076 N/A THR 71.A OG1 LEU 47.A O no hydrogen 3.435 N/A CYS 81.A SG VAL 68.A O no hydrogen 3.975 N/A HIS 82.A N VAL 68.A O no hydrogen 2.634 N/A GLN 85.A NE2 LEU 83.A O no hydrogen 3.700 N/A ARG 89.A NE TRP 211.A O no hydrogen 2.878 N/A ARG 89.A NH1 ASP 87.A O no hydrogen 3.469 N/A ARG 89.A NH2 ALA 212.A O no hydrogen 3.246 N/A GLN 95.A N THR 91.A O no hydrogen 3.211 N/A ASN 96.A N LYS 92.A O no hydrogen 3.173 N/A ASN 96.A ND2 CYS 286.A O no hydrogen 3.369 N/A TRP 97.A N TYR 93.A O no hydrogen 2.810 N/A TRP 97.A NE1 PHE 219.A O no hydrogen 3.073 N/A VAL 98.A N MET 94.A O no hydrogen 2.976 N/A LEU 100.A N ASN 96.A O no hydrogen 3.012 N/A TRP 101.A N TRP 97.A O no hydrogen 2.765 N/A TRP 101.A NE1 PRO 220.A O no hydrogen 2.958 N/A LEU 102.A N VAL 98.A O no hydrogen 3.064 N/A GLU 105.A N ASP 103.A OD1 no hydrogen 3.255 N/A LYS 106.A N ASP 103.A OD1 no hydrogen 3.488 N/A LYS 107.A N ASP 103.A O no hydrogen 2.737 N/A LEU 108.A N GLU 104.A O no hydrogen 3.250 N/A SER 109.A N GLU 105.A O no hydrogen 3.071 N/A ALA 110.A N LYS 106.A O no hydrogen 2.920 N/A ALA 111.A N LYS 107.A O no hydrogen 2.910 N/A LYS 112.A N LEU 108.A O no hydrogen 3.037 N/A LYS 112.A NZ ALA 152.A O no hydrogen 2.869 N/A GLU 113.A N SER 109.A O no hydrogen 3.165 N/A ILE 114.A N ALA 110.A O no hydrogen 2.962 N/A LEU 115.A N ALA 111.A O no hydrogen 3.114 N/A LYS 116.A N LYS 112.A O no hydrogen 3.015 N/A MET 117.A N GLU 113.A O no hydrogen 3.127 N/A ARG 118.A N LEU 115.A O no hydrogen 3.078 N/A ARG 118.A NH1 GLU 162.A OE2 no hydrogen 2.895 N/A ARG 118.A NH2 GLU 162.A OE2 no hydrogen 3.409 N/A VAL 119.A N LYS 116.A O no hydrogen 3.028 N/A ASP 120.A N LYS 116.A O no hydrogen 3.176 N/A SER 121.A N MET 117.A O no hydrogen 2.882 N/A SER 121.A OG HIS 125.A ND1 no hydrogen 2.579 N/A SER 121.A OG ILE 238.A O no hydrogen 3.499 N/A SER 121.A OG SER 242.A OG no hydrogen 2.691 N/A LEU 122.A N ARG 118.A O no hydrogen 3.029 N/A SER 123.A N VAL 119.A O no hydrogen 3.231 N/A SER 123.A OG ASP 120.A O no hydrogen 3.223 N/A THR 124.A N ASP 120.A O no hydrogen 3.034 N/A THR 124.A OG1 ASP 120.A O no hydrogen 2.942 N/A HIS 125.A N SER 121.A O no hydrogen 2.769 N/A HIS 125.A ND1 SER 121.A OG no hydrogen 2.579 N/A HIS 127.A NE2 SER 242.A O no hydrogen 2.929 N/A GLU 134.A N ASP 132.A OD1 no hydrogen 3.088 N/A ASN 135.A N ASP 132.A O no hydrogen 3.149 N/A VAL 138.A N ASN 135.A OD1 no hydrogen 2.780 N/A SER 139.A N ASN 135.A O no hydrogen 2.979 N/A SER 139.A OG GLU 134.A O no hydrogen 3.455 N/A SER 139.A OG ASN 135.A O no hydrogen 2.615 N/A SER 140.A N LYS 136.A O no hydrogen 2.915 N/A ILE 141.A N ARG 137.A O no hydrogen 3.031 N/A VAL 142.A N VAL 138.A O no hydrogen 2.864 N/A ASN 143.A N SER 139.A O no hydrogen 2.963 N/A LYS 144.A N SER 140.A O no hydrogen 3.010 N/A PHE 145.A N ILE 141.A O no hydrogen 3.087 N/A ASP 146.A N VAL 142.A O no hydrogen 2.809 N/A LYS 147.A N ASN 143.A O no hydrogen 2.987 N/A GLY 148.A N LYS 144.A O no hydrogen 3.190 N/A VAL 149.A N PHE 145.A O no hydrogen 2.967 N/A THR 150.A N ASP 146.A O no hydrogen 2.942 N/A THR 150.A OG1 ASP 146.A O no hydrogen 2.617 N/A SER 157.A N SER 154.A OG no hydrogen 3.235 N/A LEU 158.A N SER 154.A O no hydrogen 3.296 N/A LEU 159.A N PHE 155.A O no hydrogen 3.025 N/A GLY 160.A N SER 157.A O no hydrogen 3.184 N/A HIS 161.A N SER 157.A O no hydrogen 3.382 N/A HIS 161.A ND1 SER 157.A O no hydrogen 2.847 N/A GLU 162.A N LEU 158.A O no hydrogen 2.945 N/A GLY 163.A N LEU 159.A O no hydrogen 3.037 N/A THR 164.A N GLY 160.A O no hydrogen 3.193 N/A THR 164.A OG1 GLY 160.A O no hydrogen 2.974 N/A PHE 165.A N HIS 161.A O no hydrogen 2.971 N/A VAL 166.A N GLU 162.A O no hydrogen 3.164 N/A LYS 167.A N GLY 163.A O no hydrogen 3.078 N/A SER 168.A N THR 164.A O no hydrogen 2.977 N/A SER 168.A OG THR 164.A O no hydrogen 2.816 N/A LEU 169.A N PHE 165.A O no hydrogen 3.202 N/A TYR 170.A N VAL 166.A O no hydrogen 3.018 N/A LYS 171.A N LYS 167.A O no hydrogen 3.238 N/A GLU 172.A N SER 168.A O no hydrogen 3.151 N/A TYR 173.A N LEU 169.A O no hydrogen 3.044 N/A ALA 174.A N TYR 170.A O no hydrogen 2.914 N/A LEU 175.A N LYS 171.A O no hydrogen 2.962 N/A GLU 176.A N GLU 172.A O no hydrogen 3.089 N/A TYR 177.A N TYR 173.A O no hydrogen 3.193 N/A GLU 178.A N LEU 175.A O no hydrogen 3.194 N/A ILE 179.A N ALA 174.A O no hydrogen 2.948 N/A ARG 183.A NH1 ASN 192.A O no hydrogen 3.249 N/A ARG 183.A NH1 ASN 192.A OD1 no hydrogen 2.814 N/A ARG 183.A NH2 THR 196.A OG1 no hydrogen 3.158 N/A ASP 184.A N ASN 192.A OD1 no hydrogen 2.773 N/A LYS 186.A N ASP 184.A OD1 no hydrogen 2.663 N/A SER 187.A N ASP 184.A OD1 no hydrogen 3.353 N/A SER 187.A OG ASP 189.A OD2 no hydrogen 2.256 N/A TYR 191.A OH ASP 253.A OD1 no hydrogen 3.280 N/A ASN 192.A N ASP 189.A OD1 no hydrogen 2.798 N/A ASN 192.A ND2 LYS 182.A O no hydrogen 3.003 N/A ASN 192.A ND2 ASP 189.A OD1 no hydrogen 3.481 N/A ASN 192.A ND2 ASP 189.A OD2 no hydrogen 3.017 N/A LYS 193.A N ASP 189.A O no hydrogen 3.027 N/A LYS 193.A NZ ASN 190.A OD1 no hydrogen 3.356 N/A LYS 193.A NZ ASN 258.A OD1 no hydrogen 3.058 N/A PHE 194.A N ASN 190.A O no hydrogen 2.872 N/A LEU 195.A N TYR 191.A O no hydrogen 3.148 N/A THR 196.A N ASN 192.A O no hydrogen 2.935 N/A THR 196.A OG1 ASN 192.A O no hydrogen 3.066 N/A LEU 197.A N LYS 193.A O no hydrogen 2.999 N/A GLY 198.A N PHE 194.A O no hydrogen 2.827 N/A ASN 199.A N LEU 195.A O no hydrogen 2.898 N/A TYR 200.A N LEU 197.A O no hydrogen 3.175 N/A ALA 202.A N GLY 198.A O no hydrogen 3.136 N/A TYR 203.A N ASN 199.A O no hydrogen 2.860 N/A GLY 204.A N TYR 200.A O no hydrogen 2.858 N/A ILE 205.A N TYR 201.A O no hydrogen 3.107 N/A ALA 206.A N ALA 202.A O no hydrogen 3.008 N/A ARG 207.A N TYR 203.A O no hydrogen 2.824 N/A SER 208.A N GLY 204.A O no hydrogen 3.149 N/A SER 209.A N ILE 205.A O no hydrogen 3.049 N/A SER 209.A OG ALA 206.A O no hydrogen 2.656 N/A LEU 210.A N ALA 206.A O no hydrogen 3.040 N/A TRP 211.A N ARG 207.A O no hydrogen 2.774 N/A ALA 212.A N SER 208.A O no hydrogen 2.871 N/A LEU 213.A N SER 209.A O no hydrogen 3.315 N/A GLY 214.A N TRP 211.A O no hydrogen 3.011 N/A ILE 215.A N LEU 210.A O no hydrogen 3.005 N/A ASN 217.A ND2 GLY 229.A O no hydrogen 3.189 N/A PHE 219.A N ASP 216.A O no hydrogen 3.390 N/A LEU 221.A N ASP 234.A OD2 no hydrogen 2.964 N/A LEU 222.A N ASP 234.A OD2 no hydrogen 3.037 N/A ARG 227.A NE ASP 234.A OD1 no hydrogen 3.376 N/A ARG 227.A NH1 ASP 237.A OD2 no hydrogen 3.011 N/A ARG 227.A NH2 ASP 234.A OD1 no hydrogen 2.747 N/A ARG 227.A NH2 ASP 237.A OD2 no hydrogen 3.012 N/A LEU 231.A N ASN 217.A O no hydrogen 2.867 N/A VAL 232.A N ASN 217.A OD1 no hydrogen 2.759 N/A PHE 233.A N GLY 230.A O no hydrogen 3.299 N/A ASP 234.A N LEU 231.A O no hydrogen 2.944 N/A VAL 235.A N LEU 231.A O no hydrogen 3.247 N/A ALA 236.A N VAL 232.A O no hydrogen 2.796 N/A ASP 237.A N PHE 233.A O no hydrogen 3.036 N/A ILE 238.A N VAL 235.A O no hydrogen 3.157 N/A ILE 239.A N ALA 236.A O no hydrogen 3.184 N/A LYS 240.A N ASP 237.A O no hydrogen 3.406 N/A SER 242.A OG SER 121.A OG no hydrogen 2.691 N/A SER 242.A OG ILE 238.A O no hydrogen 3.434 N/A ILE 243.A N ILE 239.A O no hydrogen 2.905 N/A ILE 244.A N ILE 239.A O no hydrogen 3.225 N/A LEU 245.A N LYS 240.A O no hydrogen 3.022 N/A LEU 247.A N ILE 243.A O no hydrogen 3.082 N/A ALA 248.A N ILE 244.A O no hydrogen 2.791 N/A PHE 249.A N LEU 245.A O no hydrogen 3.095 N/A HIS 250.A N PRO 246.A O no hydrogen 3.075 N/A ALA 251.A N LEU 247.A O no hydrogen 3.009 N/A ALA 252.A N ALA 248.A O no hydrogen 2.847 N/A ASP 253.A N PHE 249.A O no hydrogen 3.040 N/A GLN 254.A N HIS 250.A O no hydrogen 3.252 N/A GLN 254.A N ALA 251.A O no hydrogen 3.240 N/A GLY 255.A N ALA 252.A O no hydrogen 3.318 N/A MET 256.A N ALA 251.A O no hydrogen 2.920 N/A SER 257.A N GLU 260.A OE1 no hydrogen 3.354 N/A GLU 260.A N SER 257.A OG no hydrogen 3.219 N/A PHE 261.A N SER 257.A O no hydrogen 2.928 N/A LYS 262.A N ASN 258.A O no hydrogen 2.898 N/A LYS 262.A NZ ILE 12.A O no hydrogen 3.197 N/A ARG 263.A N THR 259.A O no hydrogen 3.118 N/A SER 264.A N GLU 260.A O no hydrogen 3.122 N/A SER 264.A OG PHE 261.A O no hydrogen 2.523 N/A CYS 265.A N PHE 261.A O no hydrogen 3.226 N/A CYS 265.A SG PHE 261.A O no hydrogen 3.721 N/A VAL 266.A N LYS 262.A O no hydrogen 3.152 N/A ALA 267.A N ARG 263.A O no hydrogen 2.874 N/A TYR 268.A N SER 264.A O no hydrogen 3.049 N/A TYR 268.A OH VAL 126.A O no hydrogen 2.840 N/A PHE 269.A N CYS 265.A O no hydrogen 2.975 N/A ASP 270.A N VAL 266.A O no hydrogen 3.027 N/A LYS 271.A N ALA 267.A O no hydrogen 2.933 N/A ASN 272.A N TYR 268.A O no hydrogen 3.028 N/A ASP 273.A N ASP 270.A O no hydrogen 3.409 N/A ILE 274.A N PHE 269.A O no hydrogen 3.068 N/A TYR 277.A N ASP 273.A O no hydrogen 3.025 N/A TYR 277.A OH ASP 120.A OD2 no hydrogen 2.281 N/A LEU 278.A N ILE 274.A O no hydrogen 2.878 N/A ILE 279.A N LEU 275.A O no hydrogen 3.041 N/A ASN 280.A N ALA 276.A O no hydrogen 3.048 N/A ASN 281.A N TYR 277.A O no hydrogen 3.129 N/A ASN 281.A ND2 TYR 277.A O no hydrogen 2.804 N/A ILE 282.A N LEU 278.A O no hydrogen 2.961 N/A LYS 283.A N ILE 279.A O no hydrogen 2.944 N/A ARG 284.A N ASN 280.A O no hydrogen 3.166 N/A LEU 285.A N ASN 281.A O no hydrogen 3.165 N/A CYS 286.A N ILE 282.A O no hydrogen 3.077 N/A CYS 286.A N LYS 283.A O no hydrogen 3.097 N/A CYS 286.A SG TYR 93.A O no hydrogen 2.966 N/A MET 287.A N LYS 283.A O no hydrogen 3.040 N/A GLU 288.A N ARG 284.A O no hydrogen 3.414 N/A ASN 289.A N MET 287.A O no hydrogen 2.544 N/A