Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2b21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 1.A O no hydrogen 3.185 N/A ALA 12.A N GLY 8.A O no hydrogen 2.995 N/A GLU 13.A N PRO 9.A O no hydrogen 3.224 N/A LYS 14.A N SER 10.A O no hydrogen 3.276 N/A LEU 15.A N THR 11.A O no hydrogen 2.964 N/A VAL 16.A N ALA 12.A O no hydrogen 3.009 N/A GLU 17.A N GLU 13.A O no hydrogen 3.212 N/A ALA 18.A N LYS 14.A O no hydrogen 2.872 N/A GLY 19.A N VAL 16.A O no hydrogen 3.395 N/A TYR 20.A N LEU 15.A O no hydrogen 2.757 N/A TYR 20.A OH GLU 33.A OE2 no hydrogen 3.036 N/A LYS 25.A NZ GLY 19.A O no hydrogen 2.979 N/A LYS 25.A NZ GLU 192.A OE2 no hydrogen 3.285 N/A ALA 27.A N PHE 23.A O no hydrogen 2.614 N/A THR 28.A N MET 24.A O no hydrogen 2.843 N/A THR 28.A OG1 MET 24.A O no hydrogen 2.890 N/A ALA 29.A N ILE 26.A O no hydrogen 3.212 N/A GLU 33.A N THR 30.A OG1 no hydrogen 3.049 N/A LEU 34.A N THR 30.A O no hydrogen 3.400 N/A THR 35.A N VAL 31.A O no hydrogen 2.714 N/A THR 35.A OG1 VAL 31.A O no hydrogen 2.699 N/A THR 35.A OG1 GLY 32.A O no hydrogen 2.923 N/A ASP 36.A N GLY 32.A O no hydrogen 3.041 N/A ILE 37.A N LEU 34.A O no hydrogen 2.868 N/A GLU 38.A N THR 35.A O no hydrogen 3.349 N/A LYS 43.A N GLU 42.A OE1 no hydrogen 2.848 N/A ALA 44.A N SER 41.A OG no hydrogen 3.095 N/A ALA 45.A N SER 41.A O no hydrogen 2.801 N/A ALA 46.A N GLU 42.A O no hydrogen 2.766 N/A LYS 47.A N LYS 43.A O no hydrogen 3.050 N/A MET 48.A N ALA 44.A O no hydrogen 3.041 N/A ILE 49.A N ALA 45.A O no hydrogen 3.157 N/A MET 50.A N ALA 46.A O no hydrogen 3.034 N/A GLY 51.A N LYS 47.A O no hydrogen 2.940 N/A ALA 52.A N MET 48.A O no hydrogen 2.764 N/A ARG 53.A N ILE 49.A O no hydrogen 3.094 N/A ARG 53.A NE ALA 27.A O no hydrogen 3.338 N/A ASP 54.A N MET 50.A O no hydrogen 3.229 N/A LEU 55.A N GLY 51.A O no hydrogen 2.921 N/A CYS 56.A N ALA 52.A O no hydrogen 3.077 N/A CYS 56.A SG ALA 52.A O no hydrogen 3.508 N/A ASP 57.A N ASP 54.A O no hydrogen 2.809 N/A LEU 58.A N ARG 53.A O no hydrogen 2.920 N/A ASP 65.A N SER 62.A O no hydrogen 3.139 N/A LEU 66.A N GLY 63.A O no hydrogen 3.191 N/A LEU 67.A N ILE 64.A O no hydrogen 2.720 N/A LYS 68.A N ILE 64.A O no hydrogen 3.307 N/A GLN 69.A N ASP 65.A O no hydrogen 3.220 N/A ARG 70.A NH1 GLU 92.A OE2 no hydrogen 3.318 N/A ARG 70.A NH2 GLU 92.A OE1 no hydrogen 2.813 N/A ARG 70.A NH2 GLU 92.A OE2 no hydrogen 3.289 N/A SER 71.A N LYS 68.A O no hydrogen 3.271 N/A SER 71.A OG LEU 67.A O no hydrogen 3.339 N/A THR 72.A N GLN 69.A O no hydrogen 3.184 N/A THR 72.A OG1 GLN 69.A O no hydrogen 2.647 N/A TRP 74.A N SER 93.A OG no hydrogen 3.013 N/A TRP 74.A NE1 ASN 245.A O no hydrogen 2.837 N/A LYS 75.A N PHE 125.A O no hydrogen 2.729 N/A LYS 75.A NZ GLY 88.A O no hydrogen 2.731 N/A LEU 76.A N LEU 91.A O no hydrogen 2.768 N/A SER 77.A N PHE 123.A O no hydrogen 3.002 N/A SER 77.A OG ASP 84.A OD1 no hydrogen 2.643 N/A THR 78.A N ASP 84.A OD1 no hydrogen 3.370 N/A THR 78.A N ASP 84.A OD2 no hydrogen 2.790 N/A THR 78.A OG1 ASP 84.A OD2 no hydrogen 2.734 N/A SER 79.A N SER 77.A OG no hydrogen 3.144 N/A SER 80.A N THR 78.A OG1 no hydrogen 3.257 N/A SER 80.A OG ASP 299.A OXT no hydrogen 3.416 N/A SER 81.A N ASP 299.A OXT no hydrogen 2.995 N/A SER 81.A OG ASP 299.A O no hydrogen 2.623 N/A LEU 83.A N SER 80.A OG no hydrogen 3.391 N/A ASP 84.A N SER 80.A O no hydrogen 3.073 N/A SER 85.A N SER 81.A O no hydrogen 3.033 N/A VAL 86.A N GLU 82.A O no hydrogen 3.048 N/A LEU 87.A N LEU 83.A O no hydrogen 2.916 N/A GLY 88.A N SER 85.A O no hydrogen 2.681 N/A GLY 89.A N ASP 84.A O no hydrogen 2.655 N/A LEU 91.A N LEU 76.A O no hydrogen 2.707 N/A SER 93.A N TRP 74.A O no hydrogen 3.008 N/A SER 93.A OG TRP 74.A O no hydrogen 3.253 N/A SER 93.A OG ASN 245.A OD1 no hydrogen 2.596 N/A GLN 94.A N CYS 246.A O no hydrogen 2.869 N/A GLN 94.A NE2 THR 72.A OG1 no hydrogen 2.983 N/A GLN 94.A NE2 ASN 245.A OD1 no hydrogen 3.112 N/A SER 95.A OG GLN 94.A O no hydrogen 3.055 N/A SER 95.A OG THR 260.A OG1 no hydrogen 3.329 N/A THR 97.A N VAL 248.A O no hydrogen 2.922 N/A GLU 98.A N PHE 261.A O no hydrogen 2.697 N/A PHE 99.A N VAL 250.A O no hydrogen 2.970 N/A ALA 100.A N PHE 263.A O no hydrogen 2.688 N/A GLY 101.A N ASN 252.A O no hydrogen 3.001 N/A VAL 102.A N VAL 265.A O no hydrogen 3.451 N/A SER 105.A N VAL 102.A O no hydrogen 2.971 N/A SER 105.A OG VAL 102.A O no hydrogen 2.730 N/A LYS 107.A NZ GLY 101.A O no hydrogen 3.166 N/A THR 108.A OG1 ASP 207.A OD2 no hydrogen 2.828 N/A ILE 110.A N GLY 106.A O no hydrogen 2.990 N/A MET 111.A N LYS 107.A O no hydrogen 3.243 N/A HIS 112.A N THR 108.A O no hydrogen 2.907 N/A HIS 112.A ND1 THR 108.A O no hydrogen 2.898 N/A GLN 113.A N GLN 109.A O no hydrogen 2.699 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 3.314 N/A GLN 113.A NE2 ASN 117.A OD1 no hydrogen 2.833 N/A SER 114.A N ILE 110.A O no hydrogen 3.000 N/A SER 114.A OG ILE 110.A O no hydrogen 2.777 N/A CYS 115.A N MET 111.A O no hydrogen 3.193 N/A CYS 115.A SG MET 111.A O no hydrogen 3.464 N/A VAL 116.A N HIS 112.A O no hydrogen 3.141 N/A ASN 117.A N GLN 113.A O no hydrogen 2.852 N/A ASN 117.A ND2 SER 77.A O no hydrogen 2.983 N/A ASN 117.A ND2 SER 79.A OG no hydrogen 2.708 N/A LEU 118.A N SER 114.A O no hydrogen 3.121 N/A GLN 119.A N VAL 116.A O no hydrogen 3.012 N/A GLN 119.A NE2 PRO 139.A O no hydrogen 2.896 N/A ASN 120.A N ASN 117.A O no hydrogen 3.131 N/A GLU 122.A N ASN 120.A OD1 no hydrogen 3.086 N/A PHE 123.A N ASN 120.A O no hydrogen 2.722 N/A LEU 124.A N PRO 121.A O no hydrogen 3.318 N/A PHE 125.A N LYS 75.A O no hydrogen 2.746 N/A GLU 129.A N ASP 127.A OD2 no hydrogen 3.133 N/A ALA 130.A N ASP 127.A O no hydrogen 2.775 N/A VAL 131.A N ASP 127.A O no hydrogen 2.901 N/A LYS 133.A NZ GLU 128.A OE2 no hydrogen 3.078 N/A VAL 136.A N LYS 133.A O no hydrogen 3.182 N/A ALA 137.A N GLY 134.A O no hydrogen 3.244 N/A LYS 140.A N ASN 200.A O no hydrogen 2.907 N/A ALA 141.A N ASN 172.A O no hydrogen 2.802 N/A VAL 142.A N LEU 203.A O no hydrogen 2.724 N/A TYR 143.A N PHE 174.A O no hydrogen 2.619 N/A TYR 143.A OH ASP 207.A OD2 no hydrogen 3.226 N/A ILE 144.A N VAL 205.A O no hydrogen 2.794 N/A ASP 145.A N ALA 176.A O no hydrogen 2.809 N/A THR 146.A N ASP 207.A O no hydrogen 2.621 N/A THR 146.A OG1 SER 208.A O no hydrogen 3.568 N/A GLY 148.A N ASP 145.A OD1 no hydrogen 2.755 N/A THR 149.A N ASP 145.A OD1 no hydrogen 3.249 N/A PHE 150.A N ASP 145.A OD2 no hydrogen 3.300 N/A ARG 151.A N HIS 112.A NE2 no hydrogen 2.969 N/A ARG 151.A NH1 GLY 148.A O no hydrogen 3.012 N/A ARG 151.A NH1 PHE 150.A O no hydrogen 2.813 N/A ARG 151.A NH2 GLY 148.A O no hydrogen 3.206 N/A GLU 153.A N GLU 153.A OE2 no hydrogen 3.063 N/A ARG 154.A NE GLN 109.A OE1 no hydrogen 2.783 N/A ARG 154.A NH1 GLN 109.A OE1 no hydrogen 3.359 N/A ARG 154.A NH1 THR 293.A O no hydrogen 2.731 N/A ARG 154.A NH2 GLU 294.A O no hydrogen 2.974 N/A ILE 155.A N ARG 151.A O no hydrogen 3.211 N/A MET 156.A N PRO 152.A O no hydrogen 3.046 N/A GLN 157.A N GLU 153.A O no hydrogen 2.966 N/A MET 158.A N ARG 154.A O no hydrogen 3.030 N/A ALA 159.A N ILE 155.A O no hydrogen 2.882 N/A GLU 160.A N MET 156.A O no hydrogen 2.807 N/A HIS 161.A N GLN 157.A O no hydrogen 3.241 N/A ALA 162.A N ALA 159.A O no hydrogen 2.820 N/A GLY 163.A N GLU 160.A O no hydrogen 2.933 N/A ILE 164.A N ALA 159.A O no hydrogen 3.128 N/A GLN 167.A NE2 ASP 171.A OD1 no hydrogen 2.825 N/A THR 168.A N ASP 165.A O no hydrogen 2.970 N/A THR 168.A OG1 ASP 165.A OD2 no hydrogen 2.709 N/A VAL 169.A N ASP 165.A O no hydrogen 3.312 N/A VAL 169.A N GLY 166.A O no hydrogen 2.835 N/A LEU 170.A N GLY 166.A O no hydrogen 3.126 N/A ASP 171.A N GLN 167.A O no hydrogen 2.916 N/A ASN 172.A N THR 168.A O no hydrogen 3.298 N/A ASN 172.A N VAL 169.A O no hydrogen 3.071 N/A THR 173.A N LEU 170.A O no hydrogen 3.430 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.779 N/A PHE 174.A N ALA 141.A O no hydrogen 2.610 N/A ALA 176.A N TYR 143.A O no hydrogen 2.786 N/A ARG 177.A NE ASP 145.A O no hydrogen 3.159 N/A ARG 177.A NH2 THR 146.A O no hydrogen 2.969 N/A ALA 178.A N ASP 145.A O no hydrogen 2.825 N/A SER 181.A N GLU 216.A OE2 no hydrogen 2.755 N/A SER 181.A OG GLU 216.A OE1 no hydrogen 2.518 N/A SER 181.A OG GLU 216.A OE2 no hydrogen 3.531 N/A GLN 184.A N ASN 180.A O no hydrogen 2.950 N/A MET 185.A N SER 181.A O no hydrogen 2.808 N/A LEU 186.A N ASP 182.A O no hydrogen 2.852 N/A PHE 187.A N MET 183.A O no hydrogen 2.749 N/A ALA 188.A N GLN 184.A O no hydrogen 3.261 N/A GLU 189.A N MET 185.A O no hydrogen 3.019 N/A LYS 190.A N LEU 186.A O no hydrogen 2.836 N/A ILE 191.A N ALA 188.A O no hydrogen 3.219 N/A ASP 193.A N LYS 190.A O no hydrogen 3.155 N/A ILE 195.A N ILE 191.A O no hydrogen 3.300 N/A GLN 196.A N GLU 192.A O no hydrogen 3.063 N/A GLN 196.A NE2 ASP 193.A OD1 no hydrogen 3.018 N/A GLY 198.A N ILE 195.A O no hydrogen 2.832 N/A ASN 199.A N LEU 194.A O no hydrogen 3.012 N/A ASN 199.A ND2 LEU 194.A O no hydrogen 2.749 N/A ASN 200.A ND2 GLU 135.A O no hydrogen 3.172 N/A ASN 200.A ND2 ALA 137.A O no hydrogen 2.902 N/A ILE 201.A N ASN 199.A O no hydrogen 2.818 N/A LYS 202.A N LYS 140.A O no hydrogen 2.877 N/A LYS 202.A NZ ASN 200.A OD1 no hydrogen 2.835 N/A LYS 202.A NZ PHE 244.A O no hydrogen 3.301 N/A VAL 204.A N VAL 247.A O no hydrogen 2.827 N/A VAL 205.A N VAL 142.A O no hydrogen 2.699 N/A ILE 206.A N LEU 249.A O no hydrogen 2.800 N/A ASP 207.A N ILE 144.A O no hydrogen 2.988 N/A SER 208.A OG SER 211.A OG no hydrogen 3.295 N/A SER 208.A OG THR 251.A O no hydrogen 3.480 N/A LEU 209.A N THR 251.A O no hydrogen 2.863 N/A THR 210.A N SER 208.A OG no hydrogen 3.232 N/A THR 210.A OG1 ASN 252.A OD1 no hydrogen 2.478 N/A SER 211.A N SER 208.A OG no hydrogen 3.348 N/A SER 211.A OG GLU 147.A OE1 no hydrogen 2.699 N/A SER 211.A OG GLU 147.A OE2 no hydrogen 3.327 N/A ARG 214.A N THR 210.A O no hydrogen 3.112 N/A ARG 214.A NH1 GLN 253.A O no hydrogen 2.543 N/A ARG 214.A NH2 GLN 253.A O no hydrogen 3.099 N/A ASN 215.A N SER 211.A O no hydrogen 3.083 N/A GLU 216.A N THR 212.A O no hydrogen 2.878 N/A GLU 216.A N PHE 213.A O no hydrogen 3.252 N/A TYR 217.A N PHE 213.A O no hydrogen 2.854 N/A TYR 217.A OH GLU 225.A OE2 no hydrogen 3.103 N/A LYS 222.A N GLY 219.A O no hydrogen 3.273 N/A GLN 227.A N LEU 223.A O no hydrogen 3.242 N/A GLN 227.A NE2 GLY 256.A O no hydrogen 2.675 N/A GLN 228.A N ALA 224.A O no hydrogen 3.059 N/A LYS 229.A N GLU 225.A O no hydrogen 2.773 N/A LYS 229.A NZ SER 181.A OG no hydrogen 3.054 N/A LYS 229.A NZ ASP 182.A OD1 no hydrogen 2.650 N/A LYS 229.A NZ TYR 217.A OH no hydrogen 3.257 N/A LEU 230.A N ARG 226.A O no hydrogen 2.823 N/A GLY 231.A N GLN 227.A O no hydrogen 2.952 N/A ARG 232.A N GLN 228.A O no hydrogen 2.886 N/A HIS 233.A N LYS 229.A O no hydrogen 3.033 N/A MET 234.A N LEU 230.A O no hydrogen 2.854 N/A ALA 235.A N GLY 231.A O no hydrogen 3.005 N/A THR 236.A N ARG 232.A O no hydrogen 3.041 N/A THR 236.A OG1 ARG 232.A O no hydrogen 3.127 N/A LEU 237.A N HIS 233.A O no hydrogen 2.977 N/A ASN 238.A N MET 234.A O no hydrogen 2.895 N/A LYS 239.A N ALA 235.A O no hydrogen 2.989 N/A LYS 239.A NZ THR 28.A O no hydrogen 3.563 N/A LYS 239.A NZ THR 28.A OG1 no hydrogen 3.208 N/A LEU 240.A N THR 236.A O no hydrogen 3.000 N/A ALA 241.A N LEU 237.A O no hydrogen 2.975 N/A ASP 242.A N ASN 238.A O no hydrogen 2.960 N/A LEU 243.A N LYS 239.A O no hydrogen 2.898 N/A PHE 244.A N LEU 240.A O no hydrogen 3.141 N/A ASN 245.A N ASP 242.A O no hydrogen 3.188 N/A ASN 245.A ND2 THR 72.A O no hydrogen 2.984 N/A ASN 245.A ND2 GLU 135.A OE1 no hydrogen 3.113 N/A CYS 246.A N ALA 241.A O no hydrogen 3.070 N/A CYS 246.A SG LEU 240.A O no hydrogen 4.007 N/A VAL 247.A N LYS 202.A O no hydrogen 2.950 N/A VAL 248.A N SER 95.A O no hydrogen 3.373 N/A LEU 249.A N VAL 204.A O no hydrogen 2.696 N/A VAL 250.A N THR 97.A O no hydrogen 3.058 N/A THR 251.A N ILE 206.A O no hydrogen 3.002 N/A THR 251.A OG1 ASP 207.A OD1 no hydrogen 2.552 N/A ASN 252.A N PHE 99.A O no hydrogen 3.124 N/A ASN 252.A ND2 GLU 98.A OE1 no hydrogen 3.250 N/A VAL 254.A N GLY 101.A O no hydrogen 3.164 N/A HIS 257.A NE2 GLU 98.A OE2 no hydrogen 2.636 N/A THR 260.A OG1 SER 95.A OG no hydrogen 3.329 N/A PHE 261.A N VAL 96.A O no hydrogen 3.073 N/A ARG 262.A N ASP 279.A O no hydrogen 2.825 N/A ARG 262.A NE ASP 279.A OD2 no hydrogen 3.015 N/A ARG 262.A NH1 HIS 257.A O no hydrogen 3.187 N/A ARG 262.A NH2 HIS 257.A O no hydrogen 2.636 N/A PHE 263.A N GLU 98.A O no hydrogen 2.787 N/A PHE 264.A N LYS 276.A O no hydrogen 2.926 N/A VAL 265.A N ALA 100.A O no hydrogen 2.672 N/A ARG 266.A N VAL 274.A O no hydrogen 2.863 N/A GLY 268.A N LYS 272.A O no hydrogen 2.790 N/A LYS 272.A N LYS 269.A O no hydrogen 3.067 N/A ARG 273.A N PHE 290.A O no hydrogen 2.832 N/A ARG 273.A NH1 GLY 270.A O no hydrogen 3.069 N/A ARG 273.A NH1 LYS 272.A O no hydrogen 2.693 N/A VAL 274.A N ARG 266.A O no hydrogen 2.793 N/A ALA 275.A N ALA 288.A O no hydrogen 3.032 N/A LYS 276.A N PHE 264.A O no hydrogen 2.785 N/A LEU 277.A N ALA 286.A O no hydrogen 2.722 N/A TYR 278.A N ARG 262.A O no hydrogen 2.975 N/A LEU 283.A N SER 280.A OG no hydrogen 3.074 N/A ALA 286.A N LEU 277.A O no hydrogen 3.081 N/A ALA 288.A N ALA 275.A O no hydrogen 2.913 N/A ILE 289.A N GLU 82.A OE2 no hydrogen 2.862 N/A PHE 290.A N ARG 273.A O no hydrogen 3.214 N/A ARG 291.A N GLN 298.A O no hydrogen 3.136 N/A ARG 291.A NH1 ASP 271.A OD2 no hydrogen 2.722 N/A ILE 292.A N ASP 271.A O no hydrogen 3.240 N/A THR 293.A N GLY 296.A O no hydrogen 2.971 N/A THR 293.A OG1 GLU 294.A OE2 no hydrogen 3.539 N/A LYS 295.A N THR 293.A OG1 no hydrogen 3.203 N/A GLY 296.A N THR 293.A O no hydrogen 2.973 N/A ILE 297.A N GLN 113.A OE1 no hydrogen 2.922 N/A GLN 298.A N ARG 291.A O no hydrogen 2.986 N/A