Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4du5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N SER 120.A O no hydrogen 3.370 N/A LEU 2.A N SER 120.A O no hydrogen 3.105 N/A VAL 4.A N LYS 47.A O no hydrogen 3.076 N/A ILE 5.A N HIS 123.A O no hydrogen 2.892 N/A THR 6.A N GLY 49.A O no hydrogen 3.136 N/A GLY 8.A N ALA 51.A O no hydrogen 3.310 N/A LEU 12.A N GLN 86.A O no hydrogen 2.664 N/A VAL 13.A N HIS 27.A O no hydrogen 2.971 N/A ALA 14.A N LYS 88.A O no hydrogen 2.823 N/A ASP 15.A N ALA 25.A O no hydrogen 3.207 N/A GLU 21.A N GLU 21.A OE1 no hydrogen 2.798 N/A HIS 22.A N PRO 19.A O no hydrogen 3.236 N/A ALA 23.A N LEU 20.A O no hydrogen 2.995 N/A HIS 27.A N VAL 13.A O no hydrogen 2.912 N/A ARG 29.A N LEU 11.A O no hydrogen 2.934 N/A THR 35.A OG1 ALA 31.A O no hydrogen 3.505 N/A THR 35.A OG1 GLY 32.A O no hydrogen 2.677 N/A ASN 36.A N GLY 32.A O no hydrogen 2.966 N/A VAL 37.A N ALA 33.A O no hydrogen 3.380 N/A ALA 38.A N GLU 34.A O no hydrogen 2.993 N/A ILE 39.A N THR 35.A O no hydrogen 2.794 N/A GLY 40.A N ASN 36.A O no hydrogen 3.204 N/A LEU 41.A N VAL 37.A O no hydrogen 3.021 N/A ALA 42.A N ALA 38.A O no hydrogen 2.882 N/A ARG 43.A N ILE 39.A O no hydrogen 2.994 N/A ARG 43.A NE GLU 68.A OE1 no hydrogen 3.033 N/A ARG 43.A NE GLU 68.A OE2 no hydrogen 3.250 N/A ARG 43.A NH1 LEU 276.A O no hydrogen 2.921 N/A ARG 43.A NH2 GLU 68.A OE1 no hydrogen 2.668 N/A LEU 44.A N GLY 40.A O no hydrogen 2.935 N/A GLY 45.A N ALA 42.A O no hydrogen 3.105 N/A LEU 46.A N LEU 41.A O no hydrogen 3.147 N/A LYS 47.A N ASP 3.A OD2 no hydrogen 2.950 N/A GLY 49.A N VAL 4.A O no hydrogen 2.894 N/A TRP 50.A N ASP 71.A O no hydrogen 3.038 N/A TRP 50.A NE1 GLY 8.A O no hydrogen 3.025 N/A ALA 51.A N THR 6.A O no hydrogen 2.980 N/A SER 52.A N HIS 74.A O no hydrogen 3.394 N/A SER 52.A OG GLY 8.A O no hydrogen 2.422 N/A ARG 53.A NE GLN 81.A OE1 no hydrogen 2.854 N/A ARG 53.A NH1 ASP 112.A OD2 no hydrogen 2.868 N/A ARG 53.A NH2 ASP 78.A OD2 no hydrogen 3.033 N/A LEU 54.A N VAL 76.A O no hydrogen 2.953 N/A GLY 55.A N THR 83.A OG1 no hydrogen 3.081 N/A ARG 60.A N ASP 57.A O no hydrogen 2.969 N/A ARG 60.A NE THR 56.A O no hydrogen 3.130 N/A TYR 61.A N SER 58.A O no hydrogen 3.004 N/A LEU 63.A N GLY 59.A O no hydrogen 3.041 N/A ALA 64.A N ARG 60.A O no hydrogen 3.123 N/A ALA 65.A N TYR 61.A O no hydrogen 2.814 N/A ALA 67.A N ALA 64.A O no hydrogen 3.076 N/A GLY 69.A N ALA 66.A O no hydrogen 3.111 N/A ASP 71.A N VAL 48.A O no hydrogen 2.678 N/A CYS 72.A SG ILE 70.A O no hydrogen 3.538 N/A SER 73.A N ASP 71.A OD1 no hydrogen 2.992 N/A SER 73.A OG ASP 71.A OD1 no hydrogen 2.476 N/A SER 73.A OG ASP 71.A OD2 no hydrogen 3.495 N/A VAL 75.A N CYS 72.A O no hydrogen 2.793 N/A VAL 76.A N SER 52.A O no hydrogen 2.934 N/A CYS 77.A SG VAL 75.A O no hydrogen 3.778 N/A ASP 78.A N LEU 54.A O no hydrogen 3.016 N/A THR 80.A N ASP 78.A OD1 no hydrogen 2.765 N/A GLN 81.A N ASP 78.A O no hydrogen 3.143 N/A THR 83.A OG1 ASP 57.A OD1 no hydrogen 2.613 N/A THR 83.A OG1 ASP 57.A OD2 no hydrogen 3.430 N/A PHE 85.A N HIS 100.A O no hydrogen 3.170 N/A PHE 87.A N GLU 98.A O no hydrogen 2.828 N/A LYS 88.A N LEU 12.A O no hydrogen 2.809 N/A LYS 90.A NZ ALA 14.A O no hydrogen 3.319 N/A GLU 98.A N PHE 87.A O no hydrogen 2.767 N/A HIS 100.A N PHE 85.A O no hydrogen 2.830 N/A HIS 100.A NE2 GLU 98.A OE1 no hydrogen 3.047 N/A ARG 101.A NH1 GLU 9.A OE1 no hydrogen 3.457 N/A SER 104.A OG GLU 9.A OE2 no hydrogen 2.815 N/A ALA 105.A N LYS 82.A O no hydrogen 2.767 N/A SER 107.A N SER 104.A O no hydrogen 2.978 N/A SER 107.A N SER 104.A OG no hydrogen 3.336 N/A SER 107.A OG SER 104.A O no hydrogen 2.919 N/A HIS 108.A N ALA 105.A O no hydrogen 2.866 N/A ASP 112.A N GLY 109.A O no hydrogen 2.816 N/A ILE 113.A N VAL 110.A O no hydrogen 3.212 N/A LEU 118.A N ASP 114.A O no hydrogen 3.077 N/A LEU 119.A N GLU 115.A O no hydrogen 3.193 N/A SER 120.A N TRP 117.A O no hydrogen 3.194 N/A SER 120.A OG TRP 117.A O no hydrogen 2.836 N/A ALA 121.A N LEU 118.A O no hydrogen 2.964 N/A ARG 122.A N LEU 2.A O no hydrogen 2.775 N/A ARG 122.A NE ASP 3.A OD1 no hydrogen 3.239 N/A ARG 122.A NH2 LEU 253.A O no hydrogen 2.568 N/A HIS 123.A ND1 SER 152.A OG no hydrogen 2.558 N/A LEU 124.A N SER 152.A O no hydrogen 2.794 N/A HIS 125.A N ILE 5.A O no hydrogen 3.075 N/A ALA 126.A N SER 154.A O no hydrogen 2.772 N/A PHE 130.A N GLU 34.A OE1 no hydrogen 3.249 N/A ALA 132.A N VAL 129.A O no hydrogen 2.511 N/A ILE 133.A N PHE 130.A O no hydrogen 3.302 N/A SER 134.A N THR 137.A OG1 no hydrogen 3.049 N/A SER 134.A OG SER 107.A O no hydrogen 2.660 N/A SER 134.A OG THR 136.A OG1 no hydrogen 3.191 N/A THR 136.A N SER 134.A OG no hydrogen 3.144 N/A THR 136.A OG1 SER 107.A O no hydrogen 3.301 N/A THR 136.A OG1 SER 134.A OG no hydrogen 3.191 N/A THR 137.A N SER 134.A O no hydrogen 3.219 N/A THR 137.A OG1 PHE 130.A O no hydrogen 2.995 N/A THR 137.A OG1 SER 134.A O no hydrogen 2.729 N/A ALA 141.A N THR 137.A O no hydrogen 2.853 N/A ARG 142.A N LEU 138.A O no hydrogen 3.015 N/A LYS 143.A N PRO 139.A O no hydrogen 2.864 N/A THR 144.A N ALA 140.A O no hydrogen 2.849 N/A LEU 146.A N LYS 143.A O no hydrogen 3.050 N/A ARG 147.A NE ASP 181.A OD1 no hydrogen 2.962 N/A ARG 147.A NH2 GLY 209.A O no hydrogen 2.821 N/A ALA 148.A N ASP 145.A O no hydrogen 3.076 N/A ALA 149.A N LEU 146.A O no hydrogen 3.183 N/A GLY 150.A N ARG 147.A O no hydrogen 2.256 N/A ARG 151.A NE ALA 121.A O no hydrogen 3.450 N/A SER 152.A N ARG 122.A O no hydrogen 3.247 N/A SER 152.A OG HIS 123.A ND1 no hydrogen 2.558 N/A VAL 153.A N ASP 181.A OD2 no hydrogen 2.818 N/A SER 154.A N LEU 124.A O no hydrogen 2.822 N/A PHE 155.A N TRP 182.A O no hydrogen 2.720 N/A ASP 156.A N ALA 126.A O no hydrogen 2.883 N/A ASN 158.A N ASP 156.A O no hydrogen 2.794 N/A LEU 163.A N ARG 160.A O no hydrogen 3.238 N/A TRP 164.A N PRO 161.A O no hydrogen 2.738 N/A LEU 169.A N THR 166.A O no hydrogen 2.997 N/A ARG 170.A NE PHE 191.A O no hydrogen 2.967 N/A ARG 170.A NH2 PHE 191.A O no hydrogen 2.814 N/A ASP 171.A N GLU 168.A O no hydrogen 2.994 N/A ALA 172.A N LEU 169.A O no hydrogen 2.726 N/A ASN 174.A N ARG 170.A O no hydrogen 3.144 N/A ASN 174.A ND2 LEU 192.A O no hydrogen 3.025 N/A ASP 175.A N ALA 172.A O no hydrogen 2.835 N/A LEU 176.A N ALA 172.A O no hydrogen 2.837 N/A ALA 177.A N ILE 173.A O no hydrogen 3.071 N/A ARG 179.A N LEU 176.A O no hydrogen 2.811 N/A ARG 179.A NE ASP 145.A OD1 no hydrogen 2.850 N/A ARG 179.A NH1 ASP 175.A OD2 no hydrogen 2.789 N/A ALA 180.A N ALA 177.A O no hydrogen 3.409 N/A ASP 181.A N VAL 153.A O no hydrogen 2.939 N/A TRP 182.A N VAL 153.A O no hydrogen 3.102 N/A VAL 183.A N LEU 212.A O no hydrogen 2.950 N/A LEU 184.A N PHE 155.A O no hydrogen 2.790 N/A GLY 189.A N GLY 186.A O no hydrogen 2.722 N/A PHE 191.A N GLU 187.A O no hydrogen 3.115 N/A LEU 192.A N GLU 188.A O no hydrogen 2.806 N/A THR 193.A N GLY 189.A O no hydrogen 2.884 N/A THR 193.A OG1 GLY 189.A O no hydrogen 2.639 N/A GLY 194.A N ARG 190.A O no hydrogen 2.993 N/A GLU 195.A N THR 193.A OG1 no hydrogen 3.278 N/A GLY 200.A N THR 197.A O no hydrogen 2.861 N/A VAL 201.A N THR 197.A O no hydrogen 3.104 N/A ALA 202.A N PRO 198.A O no hydrogen 2.803 N/A ARG 203.A N GLU 199.A O no hydrogen 3.234 N/A ARG 203.A NH1 GLU 195.A OE2 no hydrogen 3.085 N/A PHE 204.A N GLY 200.A O no hydrogen 2.949 N/A TYR 205.A N ALA 202.A O no hydrogen 3.065 N/A TYR 205.A OH ASN 174.A OD1 no hydrogen 2.917 N/A ARG 206.A N ALA 202.A O no hydrogen 2.979 N/A ARG 206.A NE ALA 210.A O no hydrogen 2.835 N/A ARG 206.A NH1 ASP 225.A OD1 no hydrogen 2.711 N/A GLN 207.A N ARG 203.A O no hydrogen 2.925 N/A LEU 208.A N PHE 204.A O no hydrogen 3.339 N/A GLY 209.A N ARG 206.A O no hydrogen 2.926 N/A ALA 210.A N TYR 205.A O no hydrogen 2.971 N/A LYS 211.A N ASP 181.A O no hydrogen 2.747 N/A LEU 212.A N ASP 181.A O no hydrogen 3.105 N/A VAL 213.A N ASP 225.A O no hydrogen 2.879 N/A VAL 214.A N VAL 183.A O no hydrogen 3.066 N/A VAL 215.A N TYR 223.A O no hydrogen 2.727 N/A LYS 216.A N PRO 185.A O no hydrogen 2.731 N/A LEU 217.A N GLY 221.A O no hydrogen 2.624 N/A GLY 221.A N GLY 218.A O no hydrogen 3.038 N/A ALA 222.A N VAL 233.A O no hydrogen 3.135 N/A TYR 223.A N VAL 215.A O no hydrogen 2.956 N/A PHE 224.A N GLY 231.A O no hydrogen 3.125 N/A ASP 225.A N VAL 213.A O no hydrogen 2.707 N/A GLY 226.A N GLY 229.A O no hydrogen 3.086 N/A GLY 229.A N GLY 226.A O no hydrogen 2.989 N/A SER 230.A OG TYR 223.A OH no hydrogen 3.249 N/A GLY 231.A N PHE 224.A O no hydrogen 3.058 N/A VAL 233.A N ALA 222.A O no hydrogen 3.017 N/A GLY 243.A N GLY 239.A O no hydrogen 3.391 N/A PHE 244.A N ALA 240.A O no hydrogen 2.978 N/A ALA 245.A N GLY 241.A O no hydrogen 2.960 N/A VAL 246.A N ASP 242.A O no hydrogen 3.123 N/A GLY 247.A N GLY 243.A O no hydrogen 2.845 N/A VAL 248.A N PHE 244.A O no hydrogen 3.016 N/A ILE 249.A N ALA 245.A O no hydrogen 2.910 N/A SER 250.A N VAL 246.A O no hydrogen 3.130 N/A SER 250.A OG VAL 246.A O no hydrogen 2.807 N/A SER 250.A OG GLY 247.A O no hydrogen 3.308 N/A ALA 251.A N GLY 247.A O no hydrogen 3.220 N/A LEU 252.A N VAL 248.A O no hydrogen 3.348 N/A LEU 253.A N ILE 249.A O no hydrogen 3.148 N/A ASP 254.A N SER 250.A O no hydrogen 2.834 N/A GLY 255.A N LEU 252.A O no hydrogen 3.322 N/A LEU 256.A N ALA 251.A O no hydrogen 3.072 N/A GLU 260.A N GLU 260.A OE1 no hydrogen 2.949 N/A ALA 261.A N GLY 257.A O no hydrogen 3.100 N/A ALA 261.A N VAL 258.A O no hydrogen 2.949 N/A VAL 262.A N VAL 258.A O no hydrogen 2.955 N/A ARG 264.A N GLU 260.A O no hydrogen 3.092 N/A ARG 264.A NH1 SER 250.A OG no hydrogen 2.922 N/A ARG 264.A NH1 ASP 254.A OD2 no hydrogen 3.025 N/A ARG 264.A NH2 ASP 254.A OD2 no hydrogen 3.380 N/A GLY 265.A N ALA 261.A O no hydrogen 2.789 N/A ALA 266.A N VAL 262.A O no hydrogen 2.683 N/A TRP 267.A N LYS 263.A O no hydrogen 2.603 N/A ILE 268.A N ARG 264.A O no hydrogen 2.931 N/A GLY 269.A N GLY 265.A O no hydrogen 2.916 N/A ALA 270.A N ALA 266.A O no hydrogen 3.118 N/A ARG 271.A N TRP 267.A O no hydrogen 2.915 N/A ARG 271.A NE GLY 275.A O no hydrogen 3.461 N/A ALA 272.A N ILE 268.A O no hydrogen 2.815 N/A VAL 273.A N GLY 269.A O no hydrogen 3.063 N/A GLN 274.A N ARG 271.A O no hydrogen 3.165 N/A THR 278.A N GLU 281.A OE2 no hydrogen 2.710 N/A THR 278.A OG1 GLU 281.A OE2 no hydrogen 2.869 N/A ARG 279.A N ARG 43.A O no hydrogen 3.202 N/A ARG 279.A NH1 LEU 44.A O no hydrogen 2.898 N/A ARG 279.A NH1 ASP 254.A OD2 no hydrogen 3.003 N/A ARG 279.A NH2 ASP 254.A OD2 no hydrogen 2.742 N/A LEU 282.A N THR 278.A O no hydrogen 3.010 N/A ASN 283.A N ARG 279.A O no hydrogen 2.752 N/A ALA 284.A N ALA 280.A O no hydrogen 3.252 N/A ALA 285.A N ASN 283.A O no hydrogen 2.813 N/A