Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5b1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N GLU 8.A OE1 no hydrogen 3.366 N/A GLN 4.A N GLU 8.A OE2 no hydrogen 3.031 N/A HIS 5.A N GLU 8.A OE2 no hydrogen 3.187 N/A GLN 7.A N GLN 7.A OE1 no hydrogen 2.910 N/A GLU 8.A N HIS 5.A O no hydrogen 3.341 N/A LEU 9.A N VAL 6.A O no hydrogen 3.067 N/A ILE 10.A N GLN 7.A O no hydrogen 3.257 N/A GLY 11.A N ASN 36.A OD1 no hydrogen 2.956 N/A HIS 12.A N GLU 159.A OE2 no hydrogen 2.896 N/A THR 13.A N GLU 159.A OE1 no hydrogen 3.083 N/A THR 13.A OG1 GLU 33.A OE2 no hydrogen 2.550 N/A THR 13.A OG1 GLU 159.A OE1 no hydrogen 3.560 N/A MET 16.A N ALA 30.A O no hydrogen 2.789 N/A LEU 18.A N MET 16.A O no hydrogen 3.042 N/A ILE 20.A N LEU 18.A O no hydrogen 2.688 N/A ASN 24.A ND2 ALA 275.A O no hydrogen 3.063 N/A ASN 24.A ND2 THR 276.A O no hydrogen 3.162 N/A ASN 24.A ND2 LEU 278.A O no hydrogen 3.111 N/A HIS 25.A N VAL 22.A O no hydrogen 3.099 N/A SER 26.A N PRO 23.A O no hydrogen 3.278 N/A SER 26.A OG PRO 23.A O no hydrogen 3.446 N/A SER 26.A OG ASN 24.A O no hydrogen 3.553 N/A SER 26.A OG PRO 279.A O no hydrogen 3.426 N/A HIS 27.A N SER 282.A O no hydrogen 3.239 N/A TYR 29.A N ILE 284.A O no hydrogen 2.595 N/A TYR 29.A OH HIS 283.A ND1 no hydrogen 3.273 N/A ALA 30.A N MET 16.A O no hydrogen 3.054 N/A LYS 31.A N THR 286.A O no hydrogen 3.129 N/A LYS 31.A NZ THR 13.A O no hydrogen 2.611 N/A LYS 31.A NZ THR 13.A OG1 no hydrogen 3.188 N/A LYS 31.A NZ GLU 159.A OE1 no hydrogen 2.846 N/A LEU 32.A N PRO 14.A O no hydrogen 3.025 N/A GLU 33.A N LYS 31.A O no hydrogen 2.933 N/A GLU 33.A N PHE 288.A O no hydrogen 3.023 N/A PHE 35.A N LEU 32.A O no hydrogen 3.319 N/A ASN 36.A N GLU 33.A O no hydrogen 3.202 N/A ASN 36.A ND2 GLU 33.A O no hydrogen 2.453 N/A ASN 36.A ND2 GLU 33.A OE1 no hydrogen 3.259 N/A GLY 38.A N ASP 43.A OD2 no hydrogen 2.422 N/A GLY 39.A N ASN 36.A O no hydrogen 2.799 N/A ILE 41.A N PRO 289.A O no hydrogen 2.949 N/A ASP 43.A N SER 40.A O no hydrogen 3.061 N/A ARG 44.A N ILE 41.A O no hydrogen 3.219 N/A ARG 44.A NE GLU 33.A OE1 no hydrogen 3.103 N/A ARG 44.A NH1 GLU 159.A OE2 no hydrogen 3.158 N/A ARG 44.A NH2 GLU 33.A OE2 no hydrogen 3.095 N/A ARG 44.A NH2 GLU 159.A OE1 no hydrogen 2.816 N/A GLY 46.A N ALA 42.A O no hydrogen 2.919 N/A ALA 47.A N ASP 43.A O no hydrogen 3.184 N/A TYR 48.A N ARG 44.A O no hydrogen 3.074 N/A LEU 49.A N LEU 45.A O no hydrogen 2.772 N/A ILE 50.A N GLY 46.A O no hydrogen 3.177 N/A GLU 51.A N ALA 47.A O no hydrogen 2.905 N/A ASP 52.A N TYR 48.A O no hydrogen 2.739 N/A GLY 53.A N LEU 49.A O no hydrogen 2.722 N/A LEU 54.A N ILE 50.A O no hydrogen 2.934 N/A LEU 54.A N GLU 51.A O no hydrogen 2.964 N/A GLN 55.A N GLU 51.A O no hydrogen 2.931 N/A ARG 56.A N ASP 52.A O no hydrogen 2.952 N/A ARG 56.A NE ASP 52.A OD2 no hydrogen 3.513 N/A ARG 56.A NH2 TYR 138.A OH no hydrogen 3.493 N/A GLY 57.A N LEU 54.A O no hydrogen 2.851 N/A ARG 58.A N GLY 53.A O no hydrogen 3.082 N/A ASN 60.A N THR 63.A OG1 no hydrogen 2.643 N/A LYS 62.A N ASN 60.A OD1 no hydrogen 2.979 N/A THR 63.A N ASN 60.A O no hydrogen 2.916 N/A THR 63.A OG1 ASN 60.A O no hydrogen 3.174 N/A THR 63.A OG1 ASN 136.A OD1 no hydrogen 2.697 N/A THR 64.A N ASN 136.A O no hydrogen 2.901 N/A ILE 65.A N ARG 87.A O no hydrogen 2.911 N/A ILE 66.A N TYR 138.A O no hydrogen 3.020 N/A GLU 67.A N ILE 89.A O no hydrogen 3.145 N/A THR 69.A N VAL 91.A O no hydrogen 3.037 N/A GLY 71.A N THR 69.A OG1 no hydrogen 2.696 N/A ASN 72.A ND2 ASP 290.A OD2 no hydrogen 2.875 N/A THR 73.A OG1 GLN 142.A OE1 no hydrogen 2.744 N/A GLY 74.A N THR 69.A OG1 no hydrogen 2.958 N/A ILE 75.A N GLY 71.A O no hydrogen 2.850 N/A GLY 76.A N ASN 72.A O no hydrogen 2.932 N/A LEU 77.A N THR 73.A O no hydrogen 2.638 N/A ALA 78.A N GLY 74.A O no hydrogen 2.878 N/A LEU 79.A N ILE 75.A O no hydrogen 2.990 N/A ALA 80.A N GLY 76.A O no hydrogen 3.283 N/A THR 81.A N LEU 77.A O no hydrogen 2.808 N/A THR 81.A OG1 LEU 77.A O no hydrogen 3.112 N/A THR 81.A OG1 ALA 78.A O no hydrogen 3.025 N/A THR 81.A OG1 THR 88.A OG1 no hydrogen 2.633 N/A GLN 82.A N ALA 78.A O no hydrogen 2.901 N/A GLN 82.A NE2 LEU 107.A O no hydrogen 3.412 N/A ALA 83.A N LEU 79.A O no hydrogen 3.223 N/A ALA 83.A N ALA 80.A O no hydrogen 2.818 N/A HIS 84.A N ALA 80.A O no hydrogen 3.273 N/A HIS 84.A N THR 81.A O no hydrogen 3.065 N/A HIS 85.A N GLN 82.A O no hydrogen 3.345 N/A LEU 86.A N THR 81.A O no hydrogen 2.935 N/A THR 88.A OG1 THR 81.A OG1 no hydrogen 2.633 N/A THR 88.A OG1 LEU 86.A O no hydrogen 3.034 N/A ILE 89.A N ILE 65.A O no hydrogen 2.710 N/A LEU 90.A N GLU 110.A O no hydrogen 2.825 N/A VAL 91.A N GLU 67.A O no hydrogen 2.926 N/A VAL 92.A N VAL 112.A O no hydrogen 2.944 N/A GLU 94.A N THR 114.A O no hydrogen 2.791 N/A PHE 96.A N PRO 93.A O no hydrogen 3.286 N/A SER 97.A N GLU 218.A OE1 no hydrogen 2.960 N/A SER 97.A OG ARG 294.A O no hydrogen 3.051 N/A LYS 100.A N SER 97.A OG no hydrogen 3.289 N/A LYS 100.A NZ TYR 295.A OH no hydrogen 2.937 N/A VAL 102.A N MET 98.A O no hydrogen 2.997 N/A LEU 103.A N GLU 99.A O no hydrogen 2.853 N/A MET 104.A N LYS 100.A O no hydrogen 2.756 N/A GLN 105.A N GLN 101.A O no hydrogen 2.817 N/A ALA 106.A N VAL 102.A O no hydrogen 2.740 N/A LEU 107.A N LEU 103.A O no hydrogen 2.861 N/A LEU 107.A N MET 104.A O no hydrogen 3.096 N/A GLY 108.A N GLN 105.A O no hydrogen 2.736 N/A ALA 109.A N MET 104.A O no hydrogen 3.277 N/A GLU 110.A N THR 88.A O no hydrogen 3.026 N/A VAL 112.A N LEU 90.A O no hydrogen 2.835 N/A SER 116.A OG GLU 117.A OE2 no hydrogen 3.498 N/A GLU 118.A N PRO 115.A O no hydrogen 2.942 N/A GLY 119.A N SER 116.A O no hydrogen 3.100 N/A ILE 120.A N GLU 223.A OE1 no hydrogen 2.781 N/A LYS 121.A N GLU 223.A OE2 no hydrogen 3.404 N/A GLY 122.A N GLU 118.A O no hydrogen 2.811 N/A ALA 123.A N GLY 119.A O no hydrogen 3.181 N/A ILE 124.A N ILE 120.A O no hydrogen 2.763 N/A ARG 125.A N LYS 121.A O no hydrogen 2.910 N/A LYS 126.A N GLY 122.A O no hydrogen 2.802 N/A ALA 127.A N ALA 123.A O no hydrogen 2.855 N/A GLU 128.A N ILE 124.A O no hydrogen 3.111 N/A ALA 129.A N ARG 125.A O no hydrogen 2.981 N/A LEU 130.A N LYS 126.A O no hydrogen 2.999 N/A ALA 131.A N ALA 127.A O no hydrogen 2.811 N/A ALA 132.A N GLU 128.A O no hydrogen 2.953 N/A ALA 132.A N ALA 129.A O no hydrogen 3.184 N/A THR 133.A N LEU 130.A O no hydrogen 2.920 N/A THR 133.A OG1 ALA 129.A O no hydrogen 2.825 N/A THR 133.A OG1 LEU 130.A O no hydrogen 3.390 N/A ILE 134.A N LEU 130.A O no hydrogen 3.171 N/A ASN 136.A ND2 ASN 60.A OD1 no hydrogen 3.090 N/A SER 137.A OG ALA 131.A O no hydrogen 2.941 N/A SER 137.A OG ILE 134.A O no hydrogen 2.460 N/A TYR 138.A N THR 64.A O no hydrogen 3.373 N/A GLN 142.A N GLU 67.A OE2 no hydrogen 2.455 N/A GLN 142.A NE2 PRO 68.A O no hydrogen 3.077 N/A LYS 144.A N MET 141.A O no hydrogen 3.152 N/A ASN 145.A N MET 141.A O no hydrogen 2.876 N/A ASN 145.A ND2 PRO 140.A O no hydrogen 3.229 N/A ALA 147.A N ASN 145.A OD1 no hydrogen 2.681 N/A ASN 148.A N ASN 145.A O no hydrogen 3.242 N/A ASN 148.A ND2 GLN 142.A O no hydrogen 2.550 N/A ASN 148.A ND2 SER 177.A OG no hydrogen 3.047 N/A ALA 150.A N PRO 146.A O no hydrogen 3.271 N/A ALA 151.A N ALA 147.A O no hydrogen 2.836 N/A ALA 151.A N ASN 148.A O no hydrogen 2.987 N/A TYR 153.A N PRO 149.A O no hydrogen 2.952 N/A ALA 157.A N TYR 152.A O no hydrogen 3.036 N/A GLU 159.A N THR 155.A O no hydrogen 3.194 N/A ILE 160.A N LEU 156.A O no hydrogen 2.957 N/A ILE 160.A N ALA 157.A O no hydrogen 2.955 N/A LEU 161.A N ALA 157.A O no hydrogen 3.257 N/A ALA 162.A N PRO 158.A O no hydrogen 3.015 N/A ASP 163.A N ILE 160.A O no hydrogen 3.317 N/A MET 164.A N ILE 160.A O no hydrogen 2.991 N/A THR 169.A N HIS 283.A O no hydrogen 2.801 N/A ALA 170.A N HIS 283.A O no hydrogen 3.474 N/A PHE 171.A N LYS 196.A O no hydrogen 2.801 N/A VAL 172.A N VAL 285.A O no hydrogen 2.892 N/A ALA 173.A N VAL 198.A O no hydrogen 3.064 N/A ALA 175.A N VAL 200.A O no hydrogen 3.298 N/A GLY 179.A N SER 177.A OG no hydrogen 3.081 N/A ALA 182.A N GLY 178.A O no hydrogen 3.060 N/A GLY 183.A N GLY 179.A O no hydrogen 2.882 N/A VAL 184.A N THR 180.A O no hydrogen 3.128 N/A ALA 185.A N PHE 181.A O no hydrogen 2.658 N/A ALA 186.A N ALA 182.A O no hydrogen 2.667 N/A TYR 187.A N GLY 183.A O no hydrogen 3.484 N/A LEU 188.A N VAL 184.A O no hydrogen 2.814 N/A GLN 189.A N ALA 185.A O no hydrogen 2.838 N/A GLN 189.A NE2 THR 195.A O no hydrogen 3.364 N/A GLN 189.A NE2 ARG 233.A O no hydrogen 2.923 N/A ALA 190.A N ALA 186.A O no hydrogen 3.134 N/A GLN 191.A N LEU 188.A O no hydrogen 3.175 N/A ASP 192.A N GLN 189.A O no hydrogen 3.355 N/A ALA 194.A N ASP 192.A OD2 no hydrogen 3.063 N/A THR 195.A N ASP 192.A O no hydrogen 3.122 N/A THR 195.A OG1 ILE 168.A O no hydrogen 3.419 N/A THR 195.A OG1 ASP 192.A O no hydrogen 3.093 N/A LYS 196.A N THR 169.A O no hydrogen 2.994 N/A ALA 197.A N ASP 235.A OD2 no hydrogen 2.888 N/A VAL 198.A N PHE 171.A O no hydrogen 2.996 N/A VAL 199.A N GLN 236.A O no hydrogen 3.169 N/A VAL 200.A N ALA 173.A O no hydrogen 2.880 N/A GLU 201.A N LEU 238.A O no hydrogen 3.029 N/A GLU 203.A N ILE 240.A O no hydrogen 3.131 N/A SER 205.A N PRO 202.A O no hydrogen 3.129 N/A SER 205.A OG VAL 222.A O no hydrogen 3.396 N/A ILE 206.A N VAL 222.A O no hydrogen 3.403 N/A ASN 208.A ND2 THR 237.A O no hydrogen 2.814 N/A ASN 208.A ND2 THR 239.A OG1 no hydrogen 2.707 N/A GLY 209.A N ILE 206.A O no hydrogen 2.747 N/A HIS 213.A N GLY 204.A O no hydrogen 3.293 N/A HIS 215.A NE2 ILE 220.A O no hydrogen 3.074 N/A ARG 216.A N ASP 242.A OD2 no hydrogen 2.808 N/A THR 217.A N ASP 242.A OD1 no hydrogen 3.114 N/A THR 217.A OG1 ASP 242.A OD1 no hydrogen 2.685 N/A GLU 218.A N SER 262.A OG no hydrogen 3.128 N/A GLY 221.A N ALA 175.A O no hydrogen 2.969 N/A VAL 222.A N SER 205.A OG no hydrogen 2.534 N/A PHE 229.A N PRO 226.A O no hydrogen 3.297 N/A VAL 232.A N PHE 229.A O no hydrogen 3.320 N/A ARG 233.A N GLN 189.A OE1 no hydrogen 2.962 N/A ARG 233.A NE ASP 235.A OD1 no hydrogen 3.256 N/A ARG 233.A NH1 SER 193.A O no hydrogen 2.762 N/A ARG 233.A NH2 SER 193.A O no hydrogen 2.857 N/A ARG 233.A NH2 ASP 235.A OD2 no hydrogen 3.020 N/A ASP 235.A N ALA 197.A O no hydrogen 2.965 N/A LEU 238.A N VAL 199.A O no hydrogen 3.038 N/A THR 239.A OG1 GLU 201.A OE2 no hydrogen 2.620 N/A ILE 240.A N GLU 201.A O no hydrogen 2.727 N/A ASP 242.A N GLU 203.A OE1 no hydrogen 2.670 N/A ALA 245.A N ALA 241.A O no hydrogen 3.161 N/A PHE 246.A N ASP 242.A O no hydrogen 3.037 N/A ALA 247.A N ASN 243.A O no hydrogen 2.819 N/A GLN 248.A N ASP 244.A O no hydrogen 3.275 N/A GLN 248.A N ALA 245.A O no hydrogen 3.137 N/A VAL 249.A N ALA 245.A O no hydrogen 3.173 N/A ARG 250.A N PHE 246.A O no hydrogen 2.960 N/A HIS 251.A N ALA 247.A O no hydrogen 3.047 N/A LEU 252.A N GLN 248.A O no hydrogen 2.957 N/A ALA 253.A N VAL 249.A O no hydrogen 3.364 N/A ALA 253.A N ARG 250.A O no hydrogen 3.256 N/A ARG 254.A N ARG 250.A O no hydrogen 3.029 N/A ASP 255.A N HIS 251.A O no hydrogen 2.761 N/A HIS 256.A N LEU 252.A O no hydrogen 3.098 N/A LEU 258.A N LEU 252.A O no hydrogen 2.880 N/A GLY 261.A N ASP 290.A O no hydrogen 2.805 N/A SER 263.A OG GLU 218.A O no hydrogen 3.490 N/A SER 264.A OG ASP 290.A O no hydrogen 3.247 N/A GLY 265.A N GLY 261.A O no hydrogen 3.064 N/A ALA 266.A N SER 262.A O no hydrogen 2.740 N/A ALA 267.A N SER 263.A O no hydrogen 3.070 N/A LEU 268.A N SER 264.A O no hydrogen 3.030 N/A ALA 269.A N GLY 265.A O no hydrogen 2.723 N/A ALA 270.A N ALA 266.A O no hydrogen 2.818 N/A SER 271.A N ALA 267.A O no hydrogen 2.781 N/A SER 271.A OG ALA 267.A O no hydrogen 3.251 N/A LEU 272.A N LEU 268.A O no hydrogen 2.928 N/A GLN 273.A N ALA 269.A O no hydrogen 3.079 N/A LEU 274.A N ALA 270.A O no hydrogen 2.874 N/A ALA 275.A N SER 271.A O no hydrogen 3.217 N/A THR 276.A N GLN 273.A O no hydrogen 3.010 N/A THR 276.A OG1 GLN 273.A O no hydrogen 2.495 N/A THR 276.A OG1 ASN 277.A OD1 no hydrogen 2.824 N/A ASN 281.A N ASN 24.A O no hydrogen 3.093 N/A SER 282.A N SER 26.A OG no hydrogen 3.163 N/A SER 282.A OG PRO 279.A O no hydrogen 2.881 N/A HIS 283.A N THR 169.A OG1 no hydrogen 3.001 N/A ILE 284.A N HIS 27.A O no hydrogen 2.789 N/A VAL 285.A N ALA 170.A O no hydrogen 2.967 N/A THR 286.A N TYR 29.A O no hydrogen 2.603 N/A THR 286.A OG1 VAL 172.A O no hydrogen 3.170 N/A PHE 288.A N LYS 31.A O no hydrogen 3.115 N/A SER 291.A OG LEU 259.A O no hydrogen 3.093 N/A SER 292.A OG TYR 301.A OH no hydrogen 2.773 N/A ARG 294.A N SER 291.A O no hydrogen 3.379 N/A ARG 294.A NE ASN 72.A OD1 no hydrogen 3.287 N/A ARG 294.A NH1 GLY 38.A O no hydrogen 3.239 N/A ARG 294.A NH2 GLY 38.A O no hydrogen 2.360 N/A ARG 294.A NH2 ASN 72.A OD1 no hydrogen 3.355 N/A TYR 295.A N SER 292.A O no hydrogen 3.120 N/A TYR 295.A OH ASP 290.A OD2 no hydrogen 2.512 N/A SER 297.A OG GLU 99.A OE1 no hydrogen 2.492 N/A GLN 298.A N TYR 295.A O no hydrogen 3.198 N/A ILE 300.A N TYR 295.A O no hydrogen 3.447 N/A TYR 301.A OH SER 292.A OG no hydrogen 2.773 N/A THR 302.A N LYS 299.A O no hydrogen 2.830 N/A THR 302.A OG1 LYS 299.A O no hydrogen 3.365 N/A