Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4f0a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 THR 1.A O no hydrogen 2.497 N/A ALA 5.A N GLY 2.A O no hydrogen 2.569 N/A TYR 6.A N GLY 2.A O no hydrogen 3.101 N/A THR 8.A N LYS 4.A O no hydrogen 3.415 N/A THR 8.A OG1 LYS 4.A O no hydrogen 3.274 N/A THR 8.A OG1 ALA 5.A O no hydrogen 2.955 N/A TYR 9.A N ALA 5.A O no hydrogen 3.373 N/A SER 10.A OG LEU 7.A O no hydrogen 2.861 N/A VAL 13.A N TYR 9.A O no hydrogen 2.906 N/A ALA 14.A N SER 10.A O no hydrogen 3.107 N/A VAL 15.A N ALA 11.A O no hydrogen 3.349 N/A GLY 16.A N SER 12.A O no hydrogen 2.978 N/A ALA 17.A N VAL 13.A O no hydrogen 2.862 N/A GLN 18.A N ALA 14.A O no hydrogen 3.193 N/A GLN 18.A NE2 GLU 22.A OE2 no hydrogen 3.557 N/A ASN 19.A N VAL 15.A O no hydrogen 3.092 N/A ASN 19.A ND2 THR 69.A OG1 no hydrogen 3.170 N/A GLY 20.A N GLY 16.A O no hydrogen 3.036 N/A ILE 21.A N ALA 17.A O no hydrogen 2.930 N/A GLU 22.A N GLN 18.A O no hydrogen 2.717 N/A GLU 23.A N ASN 19.A O no hydrogen 2.931 N/A CYS 24.A N GLY 20.A O no hydrogen 3.044 N/A LYS 25.A N ILE 21.A O no hydrogen 2.842 N/A LYS 25.A NZ CYS 35.A O no hydrogen 2.996 N/A LYS 25.A NZ GLU 37.A O no hydrogen 3.246 N/A TYR 26.A N GLU 22.A O no hydrogen 2.888 N/A GLN 27.A N GLU 23.A O no hydrogen 2.812 N/A GLN 27.A NE2 GLU 23.A OE2 no hydrogen 2.729 N/A GLN 27.A NE2 ASN 176.A OD1 no hydrogen 2.828 N/A PHE 28.A N CYS 24.A O no hydrogen 3.215 N/A ALA 29.A N TYR 26.A O no hydrogen 3.107 N/A GLU 31.A N PHE 28.A O no hydrogen 3.197 N/A ARG 32.A NE ARG 249.A O no hydrogen 2.869 N/A ARG 32.A NH2 ARG 249.A O no hydrogen 3.063 N/A LEU 40.A N SER 38.A OG no hydrogen 2.983 N/A GLN 41.A N SER 38.A O no hydrogen 3.253 N/A GLN 41.A NE2 PRO 36.A O no hydrogen 3.565 N/A GLN 41.A NE2 ASN 46.A O no hydrogen 3.090 N/A LEU 42.A N THR 39.A O no hydrogen 3.286 N/A ALA 43.A N LEU 40.A O no hydrogen 2.874 N/A THR 44.A N LEU 40.A O no hydrogen 3.051 N/A THR 44.A OG1 LEU 40.A O no hydrogen 3.140 N/A HIS 45.A NE2 GLU 121.A OE2 no hydrogen 3.197 N/A LEU 48.A N HIS 45.A O no hydrogen 3.376 N/A THR 52.A OG1 THR 55.A OG1 no hydrogen 2.871 N/A ARG 53.A NH1 HIS 182.A O no hydrogen 3.050 N/A ARG 53.A NH1 ALA 185.A O no hydrogen 3.327 N/A THR 55.A N THR 52.A O no hydrogen 3.159 N/A THR 55.A OG1 SER 50.A O no hydrogen 2.529 N/A THR 55.A OG1 THR 52.A OG1 no hydrogen 2.871 N/A SER 56.A N THR 52.A O no hydrogen 3.419 N/A SER 56.A OG THR 52.A O no hydrogen 3.273 N/A SER 56.A OG ARG 53.A O no hydrogen 3.233 N/A SER 56.A OG ILE 207.A O no hydrogen 2.987 N/A VAL 58.A N GLU 54.A O no hydrogen 3.295 N/A HIS 59.A N THR 55.A O no hydrogen 3.193 N/A HIS 59.A ND1 THR 55.A O no hydrogen 2.590 N/A ALA 60.A N SER 56.A O no hydrogen 3.113 N/A ILE 61.A N PHE 57.A O no hydrogen 2.941 N/A SER 62.A N VAL 58.A O no hydrogen 3.124 N/A SER 62.A OG VAL 58.A O no hydrogen 2.582 N/A SER 62.A OG HIS 59.A O no hydrogen 3.107 N/A SER 63.A N HIS 59.A O no hydrogen 2.993 N/A SER 63.A OG SER 113.A OG no hydrogen 3.216 N/A SER 63.A OG ASN 135.A O no hydrogen 3.105 N/A ALA 64.A N ALA 60.A O no hydrogen 2.616 N/A GLY 65.A N ILE 61.A O no hydrogen 2.883 N/A VAL 66.A N SER 62.A O no hydrogen 3.025 N/A MET 67.A N SER 63.A O no hydrogen 3.126 N/A TYR 68.A N ALA 64.A O no hydrogen 2.932 N/A TYR 68.A OH ALA 169.A O no hydrogen 2.635 N/A THR 69.A N GLY 65.A O no hydrogen 3.011 N/A THR 69.A OG1 GLY 65.A O no hydrogen 2.831 N/A LEU 70.A N VAL 66.A O no hydrogen 3.161 N/A THR 71.A N MET 67.A O no hydrogen 2.888 N/A THR 71.A OG1 MET 67.A O no hydrogen 2.803 N/A ARG 72.A N TYR 68.A O no hydrogen 3.122 N/A ASN 73.A N THR 69.A O no hydrogen 2.682 N/A CYS 74.A N LEU 70.A O no hydrogen 2.719 N/A CYS 74.A SG GLY 83.A O no hydrogen 3.124 N/A SER 75.A N THR 71.A O no hydrogen 3.157 N/A SER 75.A OG THR 71.A O no hydrogen 3.196 N/A SER 75.A OG ASP 104.A OD1 no hydrogen 2.752 N/A MET 76.A N ARG 72.A O no hydrogen 3.061 N/A ASP 78.A N MET 76.A O no hydrogen 2.855 N/A CYS 84.A SG ASP 86.A OD1 no hydrogen 3.634 N/A ASP 85.A N SER 103.A O no hydrogen 3.079 N/A SER 87.A OG ASP 85.A OD1 no hydrogen 2.554 N/A ASN 89.A N ASP 86.A O no hydrogen 3.147 N/A ASN 89.A ND2 GLY 101.A O no hydrogen 3.060 N/A TRP 97.A N GLY 94.A O no hydrogen 3.310 N/A VAL 98.A N GLN 162.A O no hydrogen 3.191 N/A TRP 99.A N ARG 91.A O no hydrogen 2.921 N/A ASP 104.A N LEU 166.A O no hydrogen 3.050 N/A ASN 105.A ND2 GLY 83.A O no hydrogen 3.438 N/A ALA 106.A N ASP 104.A O no hydrogen 3.064 N/A PHE 108.A N ASN 105.A O no hydrogen 3.070 N/A GLY 109.A N ASN 105.A O no hydrogen 3.333 N/A GLU 110.A N ALA 106.A O no hydrogen 2.814 N/A ARG 111.A N GLU 107.A O no hydrogen 3.123 N/A ILE 112.A N PHE 108.A O no hydrogen 3.068 N/A SER 113.A N GLY 109.A O no hydrogen 2.913 N/A SER 113.A OG SER 63.A O no hydrogen 3.166 N/A LYS 114.A N GLU 110.A O no hydrogen 3.006 N/A LEU 115.A N ARG 111.A O no hydrogen 3.395 N/A PHE 116.A N ILE 112.A O no hydrogen 3.106 N/A VAL 117.A N SER 113.A O no hydrogen 2.912 N/A ASP 118.A N LYS 114.A O no hydrogen 3.076 N/A GLY 119.A N PHE 116.A O no hydrogen 3.170 N/A LEU 120.A N PHE 116.A O no hydrogen 3.421 N/A THR 122.A N LEU 120.A O no hydrogen 2.781 N/A ASP 125.A N ASP 125.A OD1 no hydrogen 2.505 N/A LEU 129.A N ASP 125.A O no hydrogen 3.246 N/A MET 130.A N ALA 126.A O no hydrogen 3.018 N/A ASN 131.A N ARG 127.A O no hydrogen 3.004 N/A ASN 131.A ND2 GLU 121.A OE1 no hydrogen 2.866 N/A LEU 132.A N ALA 128.A O no hydrogen 3.061 N/A HIS 133.A N LEU 129.A O no hydrogen 2.915 N/A HIS 133.A NE2 GLU 205.A O no hydrogen 2.959 N/A ASN 134.A N MET 130.A O no hydrogen 3.066 N/A ASN 134.A ND2 ILE 207.A O no hydrogen 3.052 N/A ASN 135.A N ASN 131.A O no hydrogen 3.023 N/A ASN 135.A ND2 ASP 118.A OD1 no hydrogen 2.826 N/A GLU 136.A N LEU 132.A O no hydrogen 3.437 N/A ALA 137.A N HIS 133.A O no hydrogen 2.939 N/A GLY 138.A N ASN 134.A O no hydrogen 3.091 N/A ARG 139.A N ASN 135.A O no hydrogen 2.829 N/A ARG 139.A NE GLU 136.A OE1 no hydrogen 3.042 N/A ARG 139.A NH1 SER 113.A OG no hydrogen 3.403 N/A ARG 139.A NH1 ASP 118.A OD1 no hydrogen 2.747 N/A ARG 139.A NH2 ASP 118.A OD1 no hydrogen 3.149 N/A ARG 139.A NH2 ASP 118.A OD2 no hydrogen 2.943 N/A ARG 139.A NH2 GLU 136.A OE1 no hydrogen 3.227 N/A LEU 140.A N GLU 136.A O no hydrogen 2.663 N/A ALA 141.A N ALA 137.A O no hydrogen 3.202 N/A VAL 142.A N GLY 138.A O no hydrogen 3.228 N/A LYS 143.A NZ GLU 107.A OE2 no hydrogen 2.934 N/A GLU 144.A N LEU 140.A O no hydrogen 3.025 N/A THR 145.A N ALA 141.A O no hydrogen 3.389 N/A THR 145.A OG1 ALA 141.A O no hydrogen 2.743 N/A THR 145.A OG1 VAL 142.A O no hydrogen 2.878 N/A MET 146.A N LYS 143.A O no hydrogen 3.140 N/A LYS 147.A N GLN 167.A O no hydrogen 2.924 N/A THR 149.A N TRP 165.A O no hydrogen 2.970 N/A THR 149.A OG1 GLN 167.A OE1 no hydrogen 3.432 N/A LYS 151.A N THR 163.A O no hydrogen 3.131 N/A CYS 152.A SG GLN 162.A OE1 no hydrogen 4.017 N/A GLY 154.A N SER 158.A O no hydrogen 3.115 N/A GLY 157.A N GLY 154.A O no hydrogen 3.094 N/A SER 158.A N ILE 155.A O no hydrogen 3.253 N/A SER 160.A N SER 158.A OG no hydrogen 3.253 N/A GLN 162.A N GLY 96.A O no hydrogen 3.298 N/A THR 163.A N LYS 151.A O no hydrogen 3.338 N/A THR 163.A OG1 HIS 153.A NE2 no hydrogen 3.068 N/A CYS 164.A N VAL 98.A O no hydrogen 2.962 N/A TRP 165.A N THR 149.A O no hydrogen 3.030 N/A LEU 166.A N SER 103.A OG no hydrogen 2.801 N/A GLN 167.A N LYS 147.A O no hydrogen 2.938 N/A LEU 168.A N ASP 104.A OD2 no hydrogen 3.104 N/A ARG 172.A NE GLU 23.A OE1 no hydrogen 3.384 N/A ARG 172.A NE GLU 23.A OE2 no hydrogen 2.846 N/A ARG 172.A NH2 GLU 23.A OE1 no hydrogen 3.219 N/A ILE 174.A N GLU 170.A O no hydrogen 3.290 N/A GLY 175.A N PHE 171.A O no hydrogen 2.850 N/A ASN 176.A N ARG 172.A O no hydrogen 2.771 N/A HIS 177.A N ASP 173.A O no hydrogen 3.004 N/A LEU 178.A N ILE 174.A O no hydrogen 2.913 N/A LYS 179.A N GLY 175.A O no hydrogen 2.785 N/A LYS 179.A NZ ASP 183.A OD1 no hydrogen 3.007 N/A LYS 179.A NZ ASP 183.A OD2 no hydrogen 3.072 N/A ILE 180.A N ASN 176.A O no hydrogen 3.190 N/A LYS 181.A N HIS 177.A O no hydrogen 2.978 N/A LYS 181.A NZ GLU 205.A OE2 no hydrogen 3.058 N/A HIS 182.A N LEU 178.A O no hydrogen 2.843 N/A HIS 182.A N LYS 179.A O no hydrogen 3.032 N/A HIS 182.A ND1 ASP 183.A OD1 no hydrogen 3.177 N/A ASP 183.A N LYS 179.A O no hydrogen 2.825 N/A GLN 184.A N ILE 180.A O no hydrogen 3.025 N/A ALA 185.A N HIS 182.A O no hydrogen 3.200 N/A LYS 187.A NZ GLU 189.A OE2 no hydrogen 3.489 N/A LEU 188.A N PHE 208.A O no hydrogen 3.097 N/A ILE 194.A N ARG 191.A O no hydrogen 3.033 N/A ASP 196.A N GLY 192.A O no hydrogen 3.121 N/A PHE 198.A N ILE 194.A O no hydrogen 3.328 N/A SER 199.A N ASP 196.A O no hydrogen 3.145 N/A SER 199.A OG ALA 195.A O no hydrogen 3.140 N/A SER 200.A N ALA 197.A O no hydrogen 3.352 N/A SER 200.A OG ALA 197.A O no hydrogen 2.551 N/A VAL 201.A N PHE 198.A O no hydrogen 3.313 N/A GLU 205.A N ALA 202.A O no hydrogen 3.209 N/A ILE 207.A N ASN 134.A OD1 no hydrogen 2.812 N/A LEU 209.A N ALA 51.A O no hydrogen 2.944 N/A GLU 210.A N ALA 51.A O no hydrogen 3.180 N/A SER 212.A OG GLU 54.A OE1 no hydrogen 2.677 N/A TYR 215.A OH GLU 54.A OE1 no hydrogen 2.361 N/A CYS 216.A N ASP 214.A OD1 no hydrogen 3.294 N/A LEU 217.A N ASP 214.A O no hydrogen 3.267 N/A ASN 219.A N LEU 224.A O no hydrogen 3.006 N/A SER 221.A OG ASN 219.A OD1 no hydrogen 2.470 N/A LEU 222.A N ASN 219.A O no hydrogen 2.774 N/A GLY 223.A N ILE 220.A O no hydrogen 3.401 N/A LEU 224.A N ASN 219.A O no hydrogen 3.371 N/A THR 227.A OG1 LEU 250.A O no hydrogen 2.982 N/A GLY 229.A N CYS 293.A O no hydrogen 2.893 N/A ARG 230.A NH1 GLU 31.A O no hydrogen 2.314 N/A ARG 230.A NH2 GLU 31.A O no hydrogen 2.923 N/A CYS 232.A N HIS 291.A O no hydrogen 2.996 N/A LEU 233.A N SER 246.A OG no hydrogen 2.631 N/A SER 240.A N GLU 243.A OE1 no hydrogen 2.907 N/A TRP 242.A N SER 240.A OG no hydrogen 3.189 N/A ARG 244.A N SER 240.A O no hydrogen 2.904 N/A ARG 245.A N GLN 241.A O no hydrogen 3.258 N/A ARG 245.A N TRP 242.A O no hydrogen 3.174 N/A SER 246.A N GLU 243.A O no hydrogen 3.113 N/A SER 246.A OG LEU 233.A O no hydrogen 2.960 N/A SER 246.A OG GLU 243.A O no hydrogen 2.645 N/A CYS 247.A SG GLN 234.A OE1 no hydrogen 4.045 N/A LYS 248.A NZ ASP 253.A OD1 no hydrogen 2.753 N/A LYS 248.A NZ ASP 253.A OD2 no hydrogen 3.120 N/A ARG 249.A N ARG 245.A O no hydrogen 2.704 N/A ARG 249.A NE TRP 30.A O no hydrogen 3.083 N/A ARG 249.A NH1 TRP 242.A O no hydrogen 2.824 N/A ARG 249.A NH2 TRP 30.A O no hydrogen 2.829 N/A ARG 249.A NH2 TRP 242.A O no hydrogen 3.247 N/A LEU 250.A N SER 246.A O no hydrogen 2.737 N/A CYS 251.A N CYS 247.A O no hydrogen 3.019 N/A THR 252.A N CYS 247.A O no hydrogen 3.336 N/A THR 252.A OG1 LYS 248.A O no hydrogen 3.292 N/A ASP 253.A N LYS 248.A O no hydrogen 2.908 N/A CYS 254.A N CYS 251.A O no hydrogen 2.831 N/A CYS 254.A SG ARG 249.A O no hydrogen 3.825 N/A CYS 254.A SG LEU 250.A O no hydrogen 3.141 N/A GLY 255.A N THR 252.A O no hydrogen 2.912 N/A ARG 257.A N ALA 294.A O no hydrogen 2.915 N/A ARG 257.A NH1 GLU 259.A OE1 no hydrogen 2.636 N/A ARG 257.A NH2 GLU 259.A OE1 no hydrogen 3.383 N/A GLU 259.A N PHE 292.A O no hydrogen 3.026 N/A LYS 261.A N LYS 290.A O no hydrogen 2.790 N/A LYS 262.A NZ GLU 264.A OE2 no hydrogen 2.991 N/A THR 263.A N VAL 288.A O no hydrogen 2.928 N/A THR 263.A OG1 VAL 288.A O no hydrogen 2.539 N/A ILE 265.A N GLN 286.A O no hydrogen 2.867 N/A SER 267.A N CYS 284.A O no hydrogen 3.032 N/A CYS 269.A N GLU 282.A O no hydrogen 3.106 N/A CYS 269.A SG SER 267.A O no hydrogen 3.496 N/A ASN 270.A ND2 GLU 282.A OE2 no hydrogen 3.365 N/A CYS 271.A SG CYS 269.A O no hydrogen 3.932 N/A CYS 276.A SG TRP 275.A O no hydrogen 3.043 N/A THR 278.A N CYS 276.A O no hydrogen 2.329 N/A THR 278.A OG1 CYS 276.A O no hydrogen 3.385 N/A LYS 280.A N LYS 272.A O no hydrogen 3.402 N/A CYS 284.A N SER 267.A O no hydrogen 2.951 N/A GLN 286.A N ILE 265.A O no hydrogen 2.842 N/A VAL 288.A N THR 263.A O no hydrogen 2.848 N/A LYS 290.A N LYS 261.A O no hydrogen 3.012 N/A PHE 292.A N GLU 259.A O no hydrogen 2.977 N/A CYS 293.A N ARG 230.A O no hydrogen 3.077 N/A CYS 293.A SG THR 227.A O no hydrogen 3.802 N/A CYS 293.A SG ARG 230.A O no hydrogen 3.816 N/A ALA 294.A N ARG 257.A O no hydrogen 3.002 N/A