Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3d6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ILE 180.A O no hydrogen 3.142 N/A ARG 3.A NH2 ILE 180.A O no hydrogen 2.703 N/A GLY 4.A N GLY 188.A O no hydrogen 3.121 N/A ILE 5.A N CYS 232.A O no hydrogen 2.766 N/A LEU 6.A N THR 190.A O no hydrogen 2.882 N/A VAL 7.A N CYS 230.A O no hydrogen 2.839 N/A ILE 8.A N ILE 192.A O no hydrogen 2.766 N/A ARG 9.A N GLY 228.A O no hydrogen 2.922 N/A ARG 9.A NH1 ILE 224.A O no hydrogen 2.756 N/A HIS 10.A N SER 194.A O no hydrogen 3.165 N/A HIS 10.A ND1 GLY 11.A O no hydrogen 2.775 N/A GLY 11.A N THR 96.A OG1 no hydrogen 3.086 N/A GLU 12.A N GLN 67.A OE1 no hydrogen 2.958 N/A ARG 13.A N GLN 16.A OE1 no hydrogen 3.012 N/A ARG 13.A NE ASP 15.A OD1 no hydrogen 2.838 N/A ARG 13.A NH2 ASP 15.A OD2 no hydrogen 2.797 N/A VAL 14.A N PRO 59.A O no hydrogen 3.161 N/A GLN 16.A N ARG 13.A O no hydrogen 3.191 N/A VAL 17.A N VAL 14.A O no hydrogen 3.159 N/A PHE 18.A N VAL 14.A O no hydrogen 2.834 N/A GLY 19.A N ASP 15.A O no hydrogen 3.051 N/A TRP 22.A N GLY 19.A O no hydrogen 3.116 N/A GLN 25.A N SER 21.A O no hydrogen 3.149 N/A GLN 25.A NE2 PHE 18.A O no hydrogen 2.926 N/A GLN 25.A NE2 SER 21.A OG no hydrogen 2.983 N/A CYS 26.A N LEU 23.A O no hydrogen 3.423 N/A CYS 26.A SG TRP 22.A O no hydrogen 3.394 N/A CYS 26.A SG LEU 23.A O no hydrogen 3.523 N/A THR 27.A OG1 LEU 23.A O no hydrogen 2.628 N/A THR 28.A N LYS 32.A O no hydrogen 2.764 N/A THR 28.A OG1 ASP 30.A OD1 no hydrogen 3.002 N/A THR 28.A OG1 LYS 32.A O no hydrogen 3.380 N/A GLY 31.A N THR 28.A O no hydrogen 2.602 N/A LYS 32.A N THR 28.A OG1 no hydrogen 2.880 N/A TYR 33.A OH PRO 41.A O no hydrogen 2.721 N/A TYR 34.A N CYS 26.A O no hydrogen 2.997 N/A ARG 35.A NE PHE 40.A O no hydrogen 2.887 N/A ARG 35.A NH2 LEU 38.A O no hydrogen 2.907 N/A ARG 35.A NH2 PHE 40.A O no hydrogen 3.378 N/A ASN 39.A N ASP 37.A OD1 no hydrogen 2.878 N/A ASN 39.A ND2 GLU 12.A OE1 no hydrogen 2.945 N/A PHE 40.A N ASP 37.A O no hydrogen 3.087 N/A ARG 47.A NH2 ASP 57.A OD2 no hydrogen 2.795 N/A ARG 47.A NH2 THR 132.A O no hydrogen 2.315 N/A SER 48.A OG ASN 49.A OD1 no hydrogen 3.473 N/A ASP 57.A N PHE 54.A O no hydrogen 3.073 N/A LEU 60.A N GLN 95.A OE1 no hydrogen 2.898 N/A SER 61.A N GLU 12.A O no hydrogen 2.917 N/A SER 61.A OG GLU 12.A O no hydrogen 3.326 N/A SER 61.A OG GLU 12.A OE1 no hydrogen 2.478 N/A SER 61.A OG ASN 39.A OD1 no hydrogen 3.413 N/A SER 62.A N ASN 39.A O no hydrogen 2.894 N/A SER 62.A OG LEU 38.A O no hydrogen 2.770 N/A SER 62.A OG PHE 40.A O no hydrogen 3.179 N/A CYS 63.A N ASN 39.A OD1 no hydrogen 2.871 N/A GLY 64.A N SER 61.A OG no hydrogen 3.132 N/A ILE 65.A N SER 61.A O no hydrogen 3.166 N/A PHE 66.A N SER 62.A O no hydrogen 3.140 N/A GLN 67.A N CYS 63.A O no hydrogen 2.907 N/A GLN 67.A NE2 HIS 253.A NE2 no hydrogen 2.986 N/A ALA 68.A N GLY 64.A O no hydrogen 3.084 N/A ARG 69.A N ILE 65.A O no hydrogen 2.851 N/A LEU 70.A N PHE 66.A O no hydrogen 2.776 N/A ALA 71.A N GLN 67.A O no hydrogen 3.055 N/A GLY 72.A N ALA 68.A O no hydrogen 3.030 N/A GLU 73.A N ARG 69.A O no hydrogen 2.943 N/A ALA 74.A N LEU 70.A O no hydrogen 3.044 N/A LEU 75.A N ALA 71.A O no hydrogen 2.997 N/A LEU 76.A N GLY 72.A O no hydrogen 2.922 N/A ASP 77.A N GLU 73.A O no hydrogen 2.997 N/A SER 78.A N ALA 74.A O no hydrogen 2.956 N/A SER 78.A N LEU 75.A O no hydrogen 3.151 N/A SER 78.A OG LEU 75.A O no hydrogen 2.606 N/A GLY 79.A N LEU 76.A O no hydrogen 3.260 N/A VAL 80.A N SER 78.A OG no hydrogen 3.388 N/A ARG 81.A NH1 ASP 186.A OD1 no hydrogen 2.982 N/A THR 83.A N ILE 189.A O no hydrogen 2.792 N/A THR 83.A OG1 ILE 189.A O no hydrogen 3.275 N/A PHE 86.A N LEU 191.A O no hydrogen 2.761 N/A ALA 87.A N ARG 113.A O no hydrogen 2.862 N/A SER 88.A N VAL 193.A O no hydrogen 2.917 N/A SER 88.A OG HIS 195.A NE2 no hydrogen 2.914 N/A ALA 90.A N SER 88.A OG no hydrogen 3.364 N/A LEU 91.A N ASP 57.A OD1 no hydrogen 2.970 N/A ARG 92.A NE HIS 10.A NE2 no hydrogen 3.415 N/A ARG 92.A NH2 GLU 125.A OE2 no hydrogen 2.964 N/A CYS 93.A N ALA 90.A O no hydrogen 2.869 N/A CYS 93.A SG SER 194.A O no hydrogen 3.526 N/A VAL 94.A N ALA 90.A O no hydrogen 3.146 N/A GLN 95.A N LEU 91.A O no hydrogen 2.952 N/A THR 96.A N ARG 92.A O no hydrogen 3.154 N/A THR 96.A OG1 ARG 92.A O no hydrogen 2.750 N/A ALA 97.A N CYS 93.A O no hydrogen 3.032 N/A LYS 98.A N VAL 94.A O no hydrogen 2.836 N/A LYS 98.A NZ ASN 143.A O no hydrogen 2.837 N/A HIS 99.A N GLN 95.A O no hydrogen 3.009 N/A ILE 100.A N THR 96.A O no hydrogen 2.953 N/A LEU 101.A N ALA 97.A O no hydrogen 2.946 N/A GLU 102.A N LYS 98.A O no hydrogen 2.912 N/A GLU 103.A N HIS 99.A O no hydrogen 3.374 N/A LEU 104.A N ILE 100.A O no hydrogen 2.994 N/A LYS 105.A N GLU 102.A O no hydrogen 3.216 N/A LEU 106.A N LEU 101.A O no hydrogen 2.956 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.955 N/A LYS 109.A N LEU 106.A O no hydrogen 3.040 N/A LEU 110.A N LEU 106.A O no hydrogen 2.920 N/A ILE 112.A N ASN 145.A O no hydrogen 2.958 N/A ARG 113.A N VAL 85.A O no hydrogen 2.971 N/A GLU 115.A N ALA 87.A O no hydrogen 2.754 N/A GLY 117.A N GLU 115.A OE2 no hydrogen 3.026 N/A ILE 118.A N GLU 115.A O no hydrogen 2.994 N/A PHE 119.A N PRO 116.A O no hydrogen 3.102 N/A TRP 121.A N GLU 120.A OE1 no hydrogen 2.885 N/A TRP 121.A NE1 GLU 163.A O no hydrogen 3.052 N/A MET 122.A N GLU 163.A OE2 no hydrogen 3.101 N/A TRP 124.A N TRP 121.A O no hydrogen 2.979 N/A GLU 125.A N MET 122.A O no hydrogen 3.062 N/A ALA 129.A N ALA 126.A O no hydrogen 3.215 N/A THR 130.A OG1 SER 127.A O no hydrogen 3.302 N/A LEU 131.A N LYS 128.A O no hydrogen 3.191 N/A THR 132.A N ALA 129.A O no hydrogen 2.829 N/A THR 135.A N GLU 138.A OE1 no hydrogen 2.849 N/A GLU 138.A N THR 135.A OG1 no hydrogen 3.365 N/A LEU 139.A N THR 135.A O no hydrogen 3.027 N/A LYS 140.A N LEU 136.A O no hydrogen 2.928 N/A GLU 141.A N GLU 137.A O no hydrogen 2.744 N/A ALA 142.A N GLU 138.A O no hydrogen 2.974 N/A ALA 142.A N LEU 139.A O no hydrogen 2.991 N/A ASN 143.A N LYS 140.A O no hydrogen 3.072 N/A ASN 143.A ND2 ASN 143.A O no hydrogen 2.800 N/A PHE 144.A N LEU 139.A O no hydrogen 2.934 N/A ASN 145.A ND2 GLU 107.A O no hydrogen 2.847 N/A ASN 145.A ND2 LYS 108.A O no hydrogen 3.583 N/A ASN 145.A ND2 LEU 110.A O no hydrogen 3.565 N/A VAL 146.A N PHE 144.A O no hydrogen 2.680 N/A ASP 147.A N ILE 112.A O no hydrogen 2.822 N/A ASP 149.A N ASP 147.A OD1 no hydrogen 3.109 N/A TYR 150.A N ASP 147.A O no hydrogen 3.275 N/A TYR 150.A OH GLU 115.A OE1 no hydrogen 2.521 N/A ALA 153.A N GLU 115.A OE1 no hydrogen 2.731 N/A LEU 154.A N GLU 115.A OE2 no hydrogen 2.995 N/A ARG 156.A NH1 LEU 134.A O no hydrogen 2.799 N/A SER 158.A N PRO 155.A O no hydrogen 3.017 N/A LEU 159.A N ARG 156.A O no hydrogen 3.436 N/A GLU 163.A N MET 160.A O no hydrogen 2.946 N/A SER 164.A N GLN 167.A OE1 no hydrogen 3.105 N/A TYR 165.A OH ARG 212.A O no hydrogen 2.611 N/A GLN 167.A N SER 164.A OG no hydrogen 3.204 N/A TYR 168.A N SER 164.A O no hydrogen 2.784 N/A VAL 169.A N TYR 165.A O no hydrogen 2.915 N/A GLU 170.A N ASP 166.A O no hydrogen 3.172 N/A ARG 171.A N GLN 167.A O no hydrogen 3.077 N/A ARG 171.A NE GLU 163.A OE1 no hydrogen 3.105 N/A ARG 171.A NH1 GLY 117.A O no hydrogen 2.765 N/A ARG 171.A NH1 PHE 119.A O no hydrogen 2.763 N/A ARG 171.A NH2 PHE 119.A O no hydrogen 3.147 N/A ARG 171.A NH2 GLU 120.A O no hydrogen 2.867 N/A ARG 171.A NH2 GLU 163.A OE2 no hydrogen 2.761 N/A CYS 172.A N TYR 168.A O no hydrogen 3.165 N/A CYS 172.A SG GLY 117.A O no hydrogen 3.840 N/A CYS 172.A SG TYR 168.A O no hydrogen 3.449 N/A CYS 172.A SG SER 201.A OG no hydrogen 3.361 N/A ALA 173.A N VAL 169.A O no hydrogen 3.035 N/A VAL 174.A N GLU 170.A O no hydrogen 2.950 N/A SER 175.A N ARG 171.A O no hydrogen 3.064 N/A SER 175.A OG ARG 171.A O no hydrogen 2.613 N/A MET 176.A N CYS 172.A O no hydrogen 2.946 N/A GLY 177.A N ALA 173.A O no hydrogen 2.854 N/A GLN 178.A N VAL 174.A O no hydrogen 3.108 N/A GLN 178.A NE2 ARG 151.A O no hydrogen 2.937 N/A ILE 179.A N SER 175.A O no hydrogen 2.919 N/A ILE 180.A N MET 176.A O no hydrogen 2.911 N/A ASN 181.A N GLY 177.A O no hydrogen 3.141 N/A ASN 181.A N GLN 178.A O no hydrogen 3.059 N/A THR 182.A N ILE 179.A O no hydrogen 3.459 N/A THR 182.A OG1 GLN 178.A O no hydrogen 3.551 N/A THR 182.A OG1 ILE 179.A O no hydrogen 3.528 N/A CYS 183.A SG ASP 186.A OD2 no hydrogen 3.861 N/A ASP 186.A N CYS 183.A O no hydrogen 3.101 N/A MET 187.A N ASP 186.A OD1 no hydrogen 3.110 N/A ILE 189.A N ARG 81.A O no hydrogen 2.736 N/A THR 190.A N GLY 4.A O no hydrogen 2.939 N/A LEU 191.A N ALA 84.A O no hydrogen 2.922 N/A ILE 192.A N LEU 6.A O no hydrogen 2.813 N/A VAL 193.A N PHE 86.A O no hydrogen 2.847 N/A SER 194.A N ILE 8.A O no hydrogen 2.926 N/A SER 194.A OG ILE 118.A O no hydrogen 2.676 N/A HIS 195.A N SER 194.A OG no hydrogen 2.607 N/A HIS 195.A NE2 SER 88.A OG no hydrogen 2.914 N/A SER 196.A OG VAL 221.A O no hydrogen 3.497 N/A SER 197.A OG GLU 120.A OE1 no hydrogen 2.939 N/A SER 197.A OG TYR 168.A OH no hydrogen 3.113 N/A ALA 198.A N HIS 195.A O no hydrogen 2.891 N/A LEU 199.A N SER 196.A O no hydrogen 3.267 N/A ASP 200.A N SER 197.A O no hydrogen 3.118 N/A SER 201.A N SER 197.A O no hydrogen 2.953 N/A SER 201.A OG TYR 168.A OH no hydrogen 2.736 N/A SER 201.A OG SER 197.A O no hydrogen 3.471 N/A CYS 202.A N ALA 198.A O no hydrogen 2.794 N/A THR 203.A N ASP 200.A O no hydrogen 3.316 N/A THR 203.A OG1 LEU 199.A O no hydrogen 2.767 N/A THR 203.A OG1 ASP 200.A O no hydrogen 3.392 N/A ARG 204.A N ASP 200.A O no hydrogen 3.100 N/A ARG 204.A NE PRO 210.A O no hydrogen 2.708 N/A ARG 204.A NH2 PRO 210.A O no hydrogen 2.926 N/A LEU 207.A N THR 203.A O no hydrogen 2.886 N/A GLY 208.A N PRO 205.A O no hydrogen 3.384 N/A LEU 209.A N ARG 204.A O no hydrogen 2.771 N/A ARG 212.A NE ASP 200.A OD1 no hydrogen 2.713 N/A ARG 212.A NE ASP 200.A OD2 no hydrogen 3.291 N/A ARG 212.A NH2 ASP 200.A OD1 no hydrogen 2.988 N/A GLY 215.A N GLU 213.A OE2 no hydrogen 3.233 N/A ASP 216.A N GLU 213.A OE1 no hydrogen 3.311 N/A PHE 217.A N GLU 213.A O no hydrogen 2.884 N/A ALA 218.A N CYS 214.A O no hydrogen 2.844 N/A GLN 219.A N GLY 215.A O no hydrogen 3.109 N/A LEU 220.A N ASP 216.A O no hydrogen 2.969 N/A VAL 221.A N PHE 217.A O no hydrogen 3.055 N/A LYS 223.A N LEU 220.A O no hydrogen 3.032 N/A LEU 227.A N HIS 10.A O no hydrogen 3.381 N/A GLY 228.A N PRO 225.A O no hydrogen 2.794 N/A CYS 230.A N VAL 7.A O no hydrogen 3.051 N/A CYS 230.A SG LEU 199.A O no hydrogen 3.557 N/A CYS 232.A N ILE 5.A O no hydrogen 2.898 N/A GLU 233.A N ASP 242.A O no hydrogen 2.915 N/A GLU 234.A N ARG 3.A O no hydrogen 2.928 N/A ASN 235.A N LYS 240.A O no hydrogen 2.721 N/A ARG 236.A NE ARG 236.A O no hydrogen 2.960 N/A GLU 237.A N ASN 235.A OD1 no hydrogen 2.977 N/A GLY 239.A N ASN 235.A O no hydrogen 2.820 N/A LYS 240.A N ASP 238.A OD1 no hydrogen 3.398 N/A ASP 242.A N GLU 233.A O no hydrogen 2.894 N/A VAL 244.A N PHE 231.A O no hydrogen 3.033 N/A HIS 253.A ND1 GLY 254.A O no hydrogen 2.823 N/A TRP 264.A N ASN 260.A O no hydrogen 2.889 N/A ILE 265.A N TRP 261.A O no hydrogen 3.205 N/A SER 266.A N ASN 263.A O no hydrogen 3.084 N/A SER 266.A OG ASN 263.A O no hydrogen 2.849 N/A