Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2itu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 12.A N ILE 85.A O no hydrogen 2.683 N/A LYS 13.A N GLU 16.A OE1 no hydrogen 2.757 N/A LYS 13.A NZ GLU 39.A OE1 no hydrogen 2.536 N/A LYS 13.A NZ GLU 39.A OE2 no hydrogen 2.699 N/A GLU 16.A N LYS 13.A O no hydrogen 3.051 N/A LYS 18.A N LEU 35.A O no hydrogen 3.039 N/A LYS 19.A NZ GLU 51.A OE1 no hydrogen 3.159 N/A LEU 23.A N VAL 31.A O no hydrogen 2.871 N/A THR 30.A OG1 GLU 51.A O no hydrogen 3.426 N/A VAL 31.A N GLY 24.A O no hydrogen 3.309 N/A TYR 32.A N ILE 49.A O no hydrogen 2.840 N/A LYS 33.A N LYS 21.A O no hydrogen 2.903 N/A GLY 34.A N VAL 47.A O no hydrogen 3.075 N/A LEU 35.A N LYS 18.A O no hydrogen 2.925 N/A TRP 36.A N ILE 45.A O no hydrogen 3.076 N/A ILE 37.A N GLU 16.A O no hydrogen 2.790 N/A GLU 39.A N GLU 16.A OE2 no hydrogen 3.098 N/A LYS 42.A NZ ASP 294.A OD1 no hydrogen 3.507 N/A LYS 44.A N ASP 294.A O no hydrogen 3.151 N/A LYS 44.A NZ ASP 291.A O no hydrogen 2.705 N/A ILE 45.A N TRP 36.A O no hydrogen 3.058 N/A VAL 47.A N GLY 34.A O no hydrogen 3.001 N/A ALA 48.A N THR 95.A O no hydrogen 2.790 N/A ILE 49.A N TYR 32.A O no hydrogen 2.899 N/A LYS 50.A N LEU 93.A O no hydrogen 2.741 N/A THR 56.A OG1 GLU 54.A O no hydrogen 2.734 N/A ALA 60.A N SER 57.A O no hydrogen 2.379 N/A ASN 61.A ND2 THR 56.A O no hydrogen 3.451 N/A ASN 61.A ND2 SER 57.A O no hydrogen 3.696 N/A LYS 62.A N PRO 58.A O no hydrogen 3.286 N/A LYS 62.A NZ ASP 66.A OD2 no hydrogen 3.296 N/A GLU 63.A N ALA 60.A O no hydrogen 3.057 N/A ILE 64.A N ALA 60.A O no hydrogen 3.025 N/A LEU 65.A N ASN 61.A O no hydrogen 2.964 N/A GLU 67.A N GLU 63.A O no hydrogen 3.384 N/A ALA 68.A N ILE 64.A O no hydrogen 2.973 N/A TYR 69.A N LEU 65.A O no hydrogen 2.874 N/A VAL 70.A N ASP 66.A O no hydrogen 2.849 N/A MET 71.A N GLU 67.A O no hydrogen 2.821 N/A ALA 72.A N ALA 68.A O no hydrogen 2.862 N/A SER 73.A N TYR 69.A O no hydrogen 3.195 N/A SER 73.A N VAL 70.A O no hydrogen 2.837 N/A SER 73.A OG ASN 5.A OD1 no hydrogen 3.001 N/A SER 73.A OG TYR 69.A O no hydrogen 2.613 N/A ASP 75.A N TYR 132.A OH no hydrogen 2.833 N/A HIS 78.A N ASN 76.A OD1 no hydrogen 2.729 N/A HIS 78.A ND1 VAL 156.A O no hydrogen 3.363 N/A VAL 79.A N ASN 76.A O no hydrogen 3.262 N/A CYS 80.A N.A ILE 158.A O no hydrogen 2.821 N/A CYS 80.A N.B ILE 158.A O no hydrogen 2.803 N/A ARG 81.A NH1 ALA 298.A O no hydrogen 2.714 N/A ARG 81.A NH1 TYR 301.A O no hydrogen 3.156 N/A ARG 81.A NH2 TYR 301.A O no hydrogen 3.208 N/A LEU 83.A N ILE 94.A O no hydrogen 2.851 N/A GLY 84.A N ILE 94.A O no hydrogen 3.384 N/A ILE 85.A N ARG 10.A O no hydrogen 2.869 N/A CYS 86.A N GLN 92.A O no hydrogen 2.814 N/A CYS 86.A SG LEU 12.A O no hydrogen 2.885 N/A THR 88.A OG1 THR 90.A O no hydrogen 2.611 N/A SER 89.A N THR 90.A O no hydrogen 3.301 N/A SER 89.A OG THR 88.A O no hydrogen 2.620 N/A THR 90.A OG1 LEU 52.A O no hydrogen 3.199 N/A GLN 92.A N CYS 86.A O no hydrogen 3.063 N/A LEU 93.A N LYS 50.A O no hydrogen 3.331 N/A ILE 94.A N GLY 84.A O no hydrogen 2.990 N/A THR 95.A N ALA 48.A O no hydrogen 2.883 N/A GLN 96.A N ARG 81.A O no hydrogen 3.108 N/A LEU 97.A N PRO 46.A O no hydrogen 3.392 N/A PHE 100.A N VAL 150.A O no hydrogen 3.164 N/A GLY 101.A N MET 98.A O no hydrogen 2.868 N/A CYS 102.A SG ARG 146.A O no hydrogen 3.132 N/A LEU 103.A N VAL 148.A O no hydrogen 2.901 N/A TYR 106.A N CYS 102.A O no hydrogen 3.088 N/A VAL 107.A N LEU 103.A O no hydrogen 3.000 N/A ARG 108.A N LEU 104.A O no hydrogen 3.308 N/A ARG 108.A NE GLY 206.A O no hydrogen 2.752 N/A ARG 108.A NH2 GLY 206.A O no hydrogen 3.079 N/A GLU 109.A N ASP 105.A O no hydrogen 2.750 N/A HIS 110.A N VAL 107.A O no hydrogen 3.274 N/A ASN 113.A N HIS 110.A O no hydrogen 2.548 N/A ASN 113.A ND2 ASN 113.A O no hydrogen 3.152 N/A ILE 114.A N LYS 111.A O no hydrogen 2.856 N/A SER 116.A OG ASP 279.A OD1 no hydrogen 2.822 N/A GLN 117.A NE2 GLN 117.A O no hydrogen 3.676 N/A GLN 117.A NE2 ASN 121.A OD1 no hydrogen 3.139 N/A GLN 117.A NE2 ALA 267.A O no hydrogen 2.870 N/A TYR 118.A N GLY 115.A O no hydrogen 2.731 N/A LEU 119.A N GLY 115.A O no hydrogen 3.145 N/A LEU 120.A N SER 116.A O no hydrogen 2.928 N/A ASN 121.A N GLN 117.A O no hydrogen 3.042 N/A TRP 122.A N TYR 118.A O no hydrogen 2.815 N/A TRP 122.A NE1 PRO 153.A O no hydrogen 2.786 N/A CYS 123.A N LEU 119.A O no hydrogen 3.142 N/A CYS 123.A SG LEU 119.A O no hydrogen 3.411 N/A VAL 124.A N LEU 120.A O no hydrogen 3.038 N/A GLN 125.A N ASN 121.A O no hydrogen 3.014 N/A GLN 125.A NE2 GLN 154.A O no hydrogen 2.695 N/A ILE 126.A N TRP 122.A O no hydrogen 2.948 N/A ALA 127.A N CYS 123.A O no hydrogen 3.111 N/A LYS 128.A N VAL 124.A O no hydrogen 2.761 N/A GLY 129.A N GLN 125.A O no hydrogen 2.929 N/A MET 130.A N ILE 126.A O no hydrogen 2.787 N/A ASN 131.A N ALA 127.A O no hydrogen 2.736 N/A TYR 132.A N LYS 128.A O no hydrogen 3.016 N/A LEU 133.A N GLY 129.A O no hydrogen 2.963 N/A GLU 134.A N MET 130.A O no hydrogen 3.057 N/A GLU 134.A N ASN 131.A O no hydrogen 3.047 N/A ASP 135.A N ASN 131.A O no hydrogen 2.910 N/A ARG 136.A N TYR 132.A O no hydrogen 3.233 N/A ARG 136.A N LEU 133.A O no hydrogen 3.188 N/A ARG 136.A NE TYR 132.A OH no hydrogen 3.404 N/A ARG 136.A NH2 SER 73.A O no hydrogen 2.420 N/A ARG 137.A N GLU 134.A O no hydrogen 2.528 N/A LEU 138.A N LEU 133.A O no hydrogen 2.704 N/A VAL 139.A N LYS 165.A O no hydrogen 2.893 N/A HIS 140.A N ASP 191.A OD1 no hydrogen 2.853 N/A HIS 140.A NE2 THR 159.A O no hydrogen 2.902 N/A ARG 141.A N ASP 191.A OD2 no hydrogen 3.186 N/A ARG 141.A NH1 ARG 163.A O no hydrogen 2.514 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 2.636 N/A ALA 145.A N GLU 201.A OE2 no hydrogen 3.117 N/A ARG 146.A NH1 ASP 142.A OD1 no hydrogen 2.941 N/A ASN 147.A N ALA 144.A O no hydrogen 2.866 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.645 N/A ASN 147.A ND2 ASP 142.A OD2 no hydrogen 2.856 N/A VAL 148.A N ALA 145.A O no hydrogen 3.330 N/A LEU 149.A N LYS 157.A O no hydrogen 2.799 N/A VAL 150.A N GLY 101.A O no hydrogen 3.043 N/A LYS 151.A N HIS 155.A O no hydrogen 2.858 N/A LYS 151.A NZ ASP 297.A OD2 no hydrogen 2.822 N/A LYS 151.A NZ ASP 299.A OD2 no hydrogen 2.640 N/A THR 152.A N HIS 155.A O no hydrogen 3.397 N/A GLN 154.A N THR 152.A OG1 no hydrogen 3.184 N/A HIS 155.A N THR 152.A O no hydrogen 2.657 N/A HIS 155.A NE2 PRO 77.A O no hydrogen 2.843 N/A VAL 156.A N GLN 125.A OE1 no hydrogen 2.900 N/A LYS 157.A N LEU 149.A O no hydrogen 2.781 N/A LYS 157.A NZ ASP 299.A OD1 no hydrogen 2.755 N/A LYS 157.A NZ ASP 299.A OD2 no hydrogen 3.067 N/A ILE 158.A N HIS 78.A O no hydrogen 2.966 N/A THR 159.A N ASN 147.A O no hydrogen 2.922 N/A ASP 160.A N THR 159.A OG1 no hydrogen 2.678 N/A ALA 164.A N PHE 161.A O no hydrogen 2.998 N/A LYS 165.A N VAL 139.A O no hydrogen 2.986 N/A LEU 167.A N ARG 137.A O no hydrogen 3.112 N/A ALA 169.A N LEU 166.A O no hydrogen 3.109 N/A LYS 174.A NZ ILE 213.A O no hydrogen 3.221 N/A TRP 175.A N PRO 172.A O no hydrogen 3.180 N/A TRP 175.A NE1 GLU 201.A OE2 no hydrogen 2.701 N/A MET 176.A N ILE 173.A O no hydrogen 3.086 N/A GLU 179.A N GLU 179.A OE2 no hydrogen 2.712 N/A SER 180.A OG ILE 185.A O no hydrogen 2.567 N/A ILE 181.A N ALA 177.A O no hydrogen 3.433 N/A LEU 182.A N LEU 178.A O no hydrogen 2.953 N/A HIS 183.A N GLU 179.A O no hydrogen 3.006 N/A ILE 185.A N GLU 179.A O no hydrogen 3.136 N/A THR 187.A N SER 190.A OG no hydrogen 2.751 N/A GLN 189.A N THR 187.A OG1 no hydrogen 3.265 N/A GLN 189.A NE2 ALA 250.A O no hydrogen 3.435 N/A GLN 189.A NE2 PRO 254.A O no hydrogen 3.250 N/A SER 190.A N THR 187.A O no hydrogen 2.937 N/A SER 190.A OG THR 187.A O no hydrogen 2.721 N/A ASP 191.A N THR 187.A O no hydrogen 3.309 N/A ASP 191.A N HIS 188.A O no hydrogen 2.960 N/A VAL 192.A N HIS 188.A O no hydrogen 3.030 N/A TRP 193.A N GLN 189.A O no hydrogen 3.107 N/A SER 194.A N SER 190.A O no hydrogen 3.376 N/A SER 194.A OG TRP 175.A O no hydrogen 2.862 N/A SER 194.A OG SER 190.A O no hydrogen 2.920 N/A TYR 195.A N ASP 191.A O no hydrogen 2.832 N/A TYR 195.A OH CYS 123.A O no hydrogen 2.533 N/A GLY 196.A N VAL 192.A O no hydrogen 2.926 N/A VAL 197.A N TRP 193.A O no hydrogen 3.178 N/A THR 198.A N SER 194.A O no hydrogen 2.691 N/A THR 198.A OG1 SER 194.A O no hydrogen 2.722 N/A VAL 199.A N TYR 195.A O no hydrogen 2.752 N/A TRP 200.A N GLY 196.A O no hydrogen 2.981 N/A TRP 200.A NE1 PRO 229.A O no hydrogen 2.791 N/A GLU 201.A N VAL 197.A O no hydrogen 2.900 N/A LEU 202.A N THR 198.A O no hydrogen 3.033 N/A MET 203.A N VAL 199.A O no hydrogen 2.927 N/A THR 204.A N TRP 200.A O no hydrogen 3.104 N/A THR 204.A OG1 TRP 200.A O no hydrogen 2.806 N/A THR 204.A OG1 GLU 201.A O no hydrogen 3.218 N/A PHE 205.A N LEU 202.A O no hydrogen 3.059 N/A GLY 206.A N GLU 201.A O no hydrogen 2.708 N/A SER 207.A N THR 204.A OG1 no hydrogen 3.286 N/A SER 207.A OG THR 204.A O no hydrogen 3.143 N/A ASP 211.A N LYS 208.A O no hydrogen 3.284 N/A GLY 212.A N ASP 211.A OD2 no hydrogen 3.109 N/A GLU 217.A N PRO 214.A O no hydrogen 2.984 N/A SER 220.A N GLU 217.A O no hydrogen 2.805 N/A ILE 221.A N GLU 217.A O no hydrogen 3.240 N/A LEU 222.A N ILE 218.A O no hydrogen 2.953 N/A GLU 223.A N SER 220.A O no hydrogen 2.854 N/A LYS 224.A N SER 220.A O no hydrogen 2.868 N/A GLY 225.A N ILE 221.A O no hydrogen 3.202 N/A GLU 226.A N ILE 221.A O no hydrogen 3.380 N/A ARG 227.A NE GLU 226.A O no hydrogen 2.398 N/A GLN 230.A NE2 CYS 234.A O no hydrogen 2.834 N/A CYS 234.A N PRO 231.A O no hydrogen 2.686 N/A THR 235.A N TYR 273.A O no hydrogen 3.277 N/A THR 235.A OG1 TYR 273.A O no hydrogen 2.579 N/A TYR 239.A N THR 235.A O no hydrogen 3.035 N/A TYR 239.A OH LEU 228.A O no hydrogen 2.643 N/A MET 240.A N ILE 236.A O no hydrogen 2.759 N/A ILE 241.A N VAL 238.A O no hydrogen 2.750 N/A MET 242.A N VAL 238.A O no hydrogen 3.269 N/A VAL 243.A N TYR 239.A O no hydrogen 2.924 N/A LYS 244.A N MET 240.A O no hydrogen 3.065 N/A CYS 245.A N ILE 241.A O no hydrogen 3.276 N/A CYS 245.A SG ILE 241.A O no hydrogen 3.468 N/A TRP 246.A N VAL 243.A O no hydrogen 2.788 N/A MET 247.A N LYS 244.A O no hydrogen 3.218 N/A SER 252.A N ASP 249.A O no hydrogen 2.787 N/A SER 252.A OG ASP 249.A OD1 no hydrogen 2.913 N/A ARG 253.A N ALA 250.A O no hydrogen 3.044 N/A ARG 253.A NE GLN 189.A O no hydrogen 3.519 N/A ARG 253.A NH1 MET 247.A O no hydrogen 2.697 N/A ARG 253.A NH2 GLU 179.A OE2 no hydrogen 3.244 N/A ARG 253.A NH2 GLN 189.A O no hydrogen 3.208 N/A LYS 255.A N GLU 258.A OE1 no hydrogen 2.840 N/A LYS 255.A NZ GLU 134.A OE1 no hydrogen 3.209 N/A LYS 255.A NZ GLN 189.A OE1 no hydrogen 3.318 N/A GLU 258.A N LYS 255.A O no hydrogen 2.487 N/A LEU 259.A N LYS 255.A O no hydrogen 3.143 N/A ILE 260.A N PHE 256.A O no hydrogen 2.885 N/A ILE 261.A N ARG 257.A O no hydrogen 3.344 N/A GLU 262.A N GLU 258.A O no hydrogen 2.649 N/A PHE 263.A N LEU 259.A O no hydrogen 2.987 N/A SER 264.A N ILE 260.A O no hydrogen 2.857 N/A LYS 265.A N ILE 261.A O no hydrogen 2.834 N/A LYS 265.A NZ GLU 262.A OE1 no hydrogen 3.088 N/A LYS 265.A NZ GLU 262.A OE2 no hydrogen 3.296 N/A MET 266.A N GLU 262.A O no hydrogen 3.039 N/A ALA 267.A N PHE 263.A O no hydrogen 2.673 N/A ARG 268.A N LYS 265.A O no hydrogen 3.029 N/A ASP 269.A N MET 266.A O no hydrogen 2.998 N/A ARG 272.A N ASP 269.A O no hydrogen 2.859 N/A TYR 273.A N PRO 270.A O no hydrogen 3.126 N/A LEU 274.A N PRO 270.A O no hydrogen 2.981 N/A VAL 275.A N ILE 233.A O no hydrogen 3.033 N/A GLU 289.A N ASP 288.A OD1 no hydrogen 3.004 N/A MET 292.A N GLU 290.A O no hydrogen 2.493 N/A VAL 296.A N LYS 44.A O no hydrogen 3.063 N/A ASP 299.A N ASP 297.A OD2 no hydrogen 3.156 N/A GLU 300.A N ASP 297.A O no hydrogen 2.852 N/A TYR 301.A N ALA 298.A O no hydrogen 2.836 N/A TYR 301.A OH GLU 41.A OE1 no hydrogen 2.934 N/A TYR 301.A OH GLU 41.A OE2 no hydrogen 2.587 N/A