Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q6i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ALA 143.A O no hydrogen 2.945 N/A HIS 3.A ND1 MET 1.A O no hydrogen 2.809 N/A HIS 3.A NE2 GLY 89.A O no hydrogen 2.930 N/A ASN 4.A ND2.B GLN 2.A OE1 no hydrogen 3.568 N/A LEU 5.A N HIS 64.A O no hydrogen 3.433 N/A ILE 6.A N THR 34.A O no hydrogen 2.884 N/A ALA 7.A N VAL 66.A O no hydrogen 2.808 N/A PHE 8.A N VAL 36.A O no hydrogen 2.934 N/A LEU 9.A N CYS 68.A O no hydrogen 2.927 N/A SER 10.A N THR 39.A O no hydrogen 3.198 N/A SER 10.A OG HIS 40.A ND1 no hydrogen 2.804 N/A VAL 12.A N SER 10.A OG no hydrogen 3.140 N/A GLY 13.A N HIS 40.A O no hydrogen 2.740 N/A GLU 17.A N GLU 17.A OE1 no hydrogen 2.676 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 3.248 N/A LEU 21.A N GLU 17.A O no hydrogen 2.974 N/A CYS 22.A N ALA 18.A O no hydrogen 3.497 N/A CYS 22.A SG ALA 18.A O no hydrogen 3.759 N/A CYS 22.A SG TYR 70.A OH no hydrogen 3.281 N/A LYS 23.A N HIS 19.A O no hydrogen 3.350 N/A LYS 23.A NZ ASP 37.A OD1 no hydrogen 2.739 N/A LYS 23.A NZ ASP 37.A OD2 no hydrogen 2.643 N/A GLY 24.A N ALA 20.A O no hydrogen 2.857 N/A VAL 25.A N LEU 21.A O no hydrogen 2.981 N/A MET 26.A N CYS 22.A O no hydrogen 2.949 N/A TYR 27.A N LYS 23.A O no hydrogen 2.762 N/A GLY 28.A N GLY 24.A O no hydrogen 3.132 N/A VAL 29.A N VAL 25.A O no hydrogen 3.203 N/A ALA 30.A N MET 26.A O no hydrogen 2.760 N/A ALA 33.A N ALA 30.A O no hydrogen 3.024 N/A THR 34.A N ASN 4.A O.A no hydrogen 2.653 N/A THR 34.A N ASN 4.A O.B no hydrogen 2.668 N/A VAL 36.A N ILE 6.A O no hydrogen 2.785 N/A ILE 38.A N PHE 8.A O no hydrogen 2.698 N/A HIS 40.A ND1 SER 10.A OG no hydrogen 2.804 N/A HIS 40.A NE2 ASP 37.A OD1 no hydrogen 2.816 N/A ASP 41.A N THR 39.A OG1 no hydrogen 3.040 N/A ALA 43.A N GLU 49.A OE1 no hydrogen 2.602 N/A PHE 45.A N ASP 11.A OD2 no hydrogen 2.907 N/A ASP 46.A N ALA 43.A O no hydrogen 3.126 N/A VAL 47.A N PHE 45.A O no hydrogen 2.853 N/A ARG 48.A NH1 PRO 164.A O no hydrogen 3.077 N/A ARG 48.A NH2 PRO 164.A O no hydrogen 2.434 N/A GLU 49.A N ASP 46.A OD1 no hydrogen 3.137 N/A GLY 50.A N ASP 46.A O no hydrogen 3.142 N/A ALA 51.A N VAL 47.A O no hydrogen 2.799 N/A LEU 52.A N ARG 48.A O no hydrogen 2.911 N/A PHE 53.A N GLU 49.A O no hydrogen 3.038 N/A LEU 54.A N GLY 50.A O no hydrogen 3.172 N/A LEU 54.A N ALA 51.A O no hydrogen 3.329 N/A ALA 55.A N LEU 52.A O no hydrogen 3.180 N/A VAL 57.A N LEU 54.A O no hydrogen 3.042 N/A SER 60.A N ASP 56.A O no hydrogen 3.068 N/A SER 60.A OG ASP 56.A O no hydrogen 3.290 N/A SER 60.A OG ASP 56.A OD2 no hydrogen 3.174 N/A PHE 61.A N VAL 57.A O no hydrogen 3.090 N/A THR 65.A OG1 PRO 62.A O no hydrogen 2.517 N/A VAL 66.A N LEU 5.A O no hydrogen 2.764 N/A ILE 67.A N LEU 91.A O no hydrogen 2.643 N/A CYS 68.A N ALA 7.A O no hydrogen 2.640 N/A ALA 69.A N VAL 93.A O no hydrogen 2.988 N/A TYR 70.A N LEU 9.A O no hydrogen 2.987 N/A TYR 72.A OH THR 79.A O no hydrogen 2.740 N/A TYR 72.A OH THR 81.A OG1 no hydrogen 2.997 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.971 N/A THR 75.A N TYR 72.A O no hydrogen 3.012 N/A THR 75.A OG1 PRO 127.A O no hydrogen 2.725 N/A THR 77.A N GLU 74.A O no hydrogen 3.216 N/A THR 77.A OG1 GLU 74.A O no hydrogen 2.786 N/A THR 81.A OG1 TYR 72.A OH no hydrogen 2.997 N/A ILE 82.A N GLY 94.A O no hydrogen 2.750 N/A ALA 83.A N HIS 113.A O no hydrogen 2.864 N/A VAL 84.A N LEU 92.A O no hydrogen 2.742 N/A ARG 85.A N GLU 111.A O no hydrogen 2.928 N/A ARG 85.A NH1 GLU 111.A OE1 no hydrogen 2.511 N/A ASN 86.A N GLN 90.A O no hydrogen 3.012 N/A ASN 86.A ND2 GLN 90.A OE1 no hydrogen 2.785 N/A LYS 88.A N SER 107.A OG no hydrogen 3.224 N/A LYS 88.A NZ PRO 58.A O no hydrogen 2.925 N/A LYS 88.A NZ PHE 61.A O no hydrogen 2.877 N/A GLY 89.A N ASN 86.A O no hydrogen 3.163 N/A GLN 90.A N ASN 86.A OD1 no hydrogen 2.763 N/A GLN 90.A NE2 PRO 58.A O no hydrogen 2.737 N/A GLN 90.A NE2 PRO 62.A O no hydrogen 3.089 N/A LEU 91.A N THR 65.A O no hydrogen 3.026 N/A LEU 92.A N VAL 84.A O no hydrogen 2.784 N/A VAL 93.A N ILE 67.A O no hydrogen 2.832 N/A GLY 94.A N ILE 82.A O no hydrogen 3.107 N/A ASN 96.A N HIS 80.A O no hydrogen 2.801 N/A ASN 96.A ND2 GLN 159.A O no hydrogen 2.900 N/A ASN 97.A ND2 VAL 71.A O no hydrogen 2.809 N/A ASN 97.A ND2 GLU 74.A OE1 no hydrogen 2.868 N/A LEU 99.A N ASN 97.A OD1 no hydrogen 3.156 N/A SER 101.A N GLY 98.A O no hydrogen 3.011 N/A SER 101.A OG GLY 98.A O no hydrogen 2.782 N/A SER 101.A OG VAL 161.A O no hydrogen 3.394 N/A LEU 104.A N LEU 100.A O no hydrogen 2.938 N/A ASP 105.A N SER 101.A O no hydrogen 3.035 N/A ALA 106.A N PHE 102.A O no hydrogen 3.336 N/A SER 107.A N ALA 103.A O no hydrogen 3.191 N/A VAL 110.A N ARG 85.A O no hydrogen 2.802 N/A GLU 111.A N ARG 85.A O no hydrogen 3.332 N/A CYS 112.A SG.A ALA 83.A O no hydrogen 3.561 N/A CYS 112.A SG.A HIS 113.A O no hydrogen 3.870 N/A HIS 113.A N ALA 83.A O no hydrogen 2.946 N/A HIS 113.A ND1 GLY 152.A O no hydrogen 2.947 N/A HIS 113.A NE2 GLU 111.A OE2 no hydrogen 2.787 N/A GLU 114.A N PRO 153.A O no hydrogen 3.003 N/A VAL 115.A N THR 81.A O no hydrogen 2.747 N/A LEU 116.A N VAL 151.A O no hydrogen 2.715 N/A SER 117.A N VAL 151.A O no hydrogen 2.882 N/A VAL 120.A N SER 117.A O no hydrogen 3.305 N/A MET 121.A N PRO 118.A O no hydrogen 3.107 N/A ASN 122.A N ASP 133.A O no hydrogen 2.786 N/A ASN 122.A ND2 ASP 133.A OD2 no hydrogen 2.841 N/A GLN 123.A NE2 PRO 118.A O no hydrogen 3.443 N/A THR 126.A N ASP 133.A OD1 no hydrogen 2.952 N/A TRP 129.A N THR 126.A O no hydrogen 2.956 N/A TRP 129.A NE1 TYR 70.A OH no hydrogen 3.175 N/A TYR 130.A N THR 75.A OG1 no hydrogen 3.063 N/A LYS 132.A NZ ASP 133.A OD2 no hydrogen 2.964 N/A ASP 133.A N TRP 129.A O no hydrogen 3.121 N/A ILE 134.A N TYR 130.A O no hydrogen 2.813 N/A VAL 135.A N TYR 130.A O no hydrogen 2.860 N/A ALA 136.A N GLY 131.A O no hydrogen 2.749 N/A ALA 137.A N LYS 132.A O no hydrogen 3.254 N/A CYS 138.A N ILE 134.A O no hydrogen 2.872 N/A ALA 139.A N VAL 135.A O no hydrogen 2.991 N/A ALA 140.A N ALA 136.A O no hydrogen 3.066 N/A HIS 141.A N ALA 137.A O no hydrogen 3.078 N/A LEU 142.A N CYS 138.A O no hydrogen 2.976 N/A ALA 143.A N ALA 139.A O no hydrogen 2.952 N/A ALA 144.A N ALA 140.A O no hydrogen 2.790 N/A GLY 145.A N LEU 142.A O no hydrogen 3.143 N/A THR 146.A N HIS 141.A O no hydrogen 2.952 N/A THR 146.A OG1 HIS 141.A O no hydrogen 2.804 N/A ALA 149.A N ASP 147.A OD1 no hydrogen 3.405 N/A ALA 150.A N ASP 147.A O no hydrogen 3.108 N/A VAL 151.A N LEU 148.A O no hydrogen 3.374 N/A ILE 155.A N CYS 112.A O.A no hydrogen 3.032 N/A ILE 155.A N CYS 112.A O.B no hydrogen 3.055 N/A ASP 156.A N.A GLN 159.A OE1 no hydrogen 2.934 N/A ASP 156.A N.B GLN 159.A OE1 no hydrogen 2.913 N/A LYS 158.A N ASP 156.A OD2.B no hydrogen 3.038 N/A GLN 159.A N ASP 156.A O.A no hydrogen 2.780 N/A GLN 159.A N ASP 156.A O.B no hydrogen 2.870 N/A ILE 160.A N PRO 157.A O no hydrogen 3.155 N/A VAL 161.A N ASN 96.A OD1 no hydrogen 2.786 N/A ARG 162.A NH2 SER 101.A O no hydrogen 3.348 N/A ARG 162.A NH2 ASP 105.A OD2 no hydrogen 2.688 N/A LEU 163.A N SER 101.A OG no hydrogen 2.863 N/A SER 169.A N ARG 176.A O no hydrogen 2.944 N/A VAL 171.A N GLY 174.A O no hydrogen 3.086 N/A GLY 173.A N GLU 172.A OE1 no hydrogen 3.391 N/A ILE 175.A N VAL 264.A O no hydrogen 2.850 N/A ARG 176.A N SER 169.A O no hydrogen 2.851 N/A GLY 177.A N ILE 262.A O no hydrogen 2.750 N/A GLU 178.A N ASN 192.A OD1 no hydrogen 3.048 N/A VAL 179.A N ASP 260.A O no hydrogen 2.791 N/A VAL 180.A N TRP 190.A O no hydrogen 2.791 N/A ASP 183.A N ASN 188.A O no hydrogen 2.806 N/A PHE 186.A N ASP 183.A O no hydrogen 3.128 N/A GLY 187.A N ASP 183.A O no hydrogen 2.630 N/A ASN 188.A ND2 ASP 183.A OD2 no hydrogen 3.240 N/A VAL 189.A N LEU 243.A O no hydrogen 2.788 N/A TRP 190.A N ARG 181.A O no hydrogen 2.869 N/A THR 191.A N LEU 241.A O no hydrogen 2.985 N/A THR 191.A OG1 LEU 241.A O no hydrogen 2.727 N/A ASN 192.A N GLU 178.A O no hydrogen 3.221 N/A ASN 192.A ND2 ALA 166.A O no hydrogen 2.731 N/A ILE 193.A N THR 191.A OG1 no hydrogen 3.208 N/A THR 195.A N GLY 239.A O no hydrogen 3.116 N/A THR 195.A OG1 GLY 239.A O no hydrogen 3.350 N/A LEU 197.A N PRO 194.A O no hydrogen 3.208 N/A GLY 199.A N THR 195.A O no hydrogen 3.156 N/A SER 200.A OG LEU 197.A O no hydrogen 3.527 N/A ARG 202.A NH1 GLU 216.A OE1 no hydrogen 3.311 N/A LEU 203.A N LEU 217.A O no hydrogen 2.778 N/A GLU 204.A N SER 265.A O no hydrogen 2.765 N/A VAL 205.A N LEU 215.A O no hydrogen 2.950 N/A LYS 206.A N THR 263.A O no hydrogen 2.863 N/A ILE 207.A N THR 213.A O no hydrogen 2.911 N/A SER 211.A N THR 213.A OG1 no hydrogen 2.798 N/A ASP 212.A N GLU 208.A O no hydrogen 2.888 N/A THR 213.A N ILE 207.A O no hydrogen 3.249 N/A LEU 215.A N VAL 205.A O no hydrogen 2.965 N/A LEU 217.A N LEU 203.A O no hydrogen 2.807 N/A CYS 220.A N LEU 233.A O no hydrogen 2.747 N/A CYS 220.A SG PRO 218.A O no hydrogen 3.983 N/A LYS 221.A N GLU 225.A OE1 no hydrogen 3.165 N/A GLU 225.A N THR 222.A O no hydrogen 3.297 N/A VAL 226.A N PHE 223.A O no hydrogen 3.469 N/A GLY 229.A N ASN 246.A O no hydrogen 2.845 N/A GLN 230.A N ASP 227.A O no hydrogen 3.123 N/A LEU 232.A N GLY 244.A O no hydrogen 2.949 N/A LEU 233.A N PRO 218.A O no hydrogen 2.924 N/A TYR 234.A N ALA 242.A O no hydrogen 3.077 N/A ASN 236.A N ARG 240.A O no hydrogen 2.964 N/A ARG 238.A N ASN 236.A OD1 no hydrogen 3.031 N/A ARG 238.A NE ASP 56.A OD1 no hydrogen 3.456 N/A ARG 238.A NH2 ASP 56.A OD1 no hydrogen 3.327 N/A GLY 239.A N ASN 236.A O no hydrogen 2.991 N/A ARG 240.A N ASN 236.A OD1 no hydrogen 2.880 N/A LEU 241.A N ILE 193.A O no hydrogen 2.776 N/A ALA 242.A N TYR 234.A O no hydrogen 2.717 N/A LEU 243.A N VAL 189.A O no hydrogen 2.963 N/A GLY 244.A N LEU 232.A O no hydrogen 3.156 N/A ASN 246.A N GLN 230.A O no hydrogen 3.060 N/A ASN 246.A ND2 VAL 226.A O no hydrogen 2.749 N/A ASN 249.A N SER 248.A OG no hydrogen 2.793 N/A ILE 251.A N GLY 187.A O no hydrogen 3.239 N/A GLU 252.A N ASN 249.A OD1 no hydrogen 3.053 N/A LYS 253.A N PHE 250.A O no hydrogen 2.823 N/A TRP 254.A N PHE 250.A O no hydrogen 2.706 N/A VAL 256.A N TRP 254.A O no hydrogen 2.607 N/A VAL 257.A N ASP 260.A OD2 no hydrogen 2.970 N/A GLY 259.A N VAL 179.A O no hydrogen 2.811 N/A ASP 260.A N VAL 257.A O no hydrogen 3.028 N/A ILE 262.A N GLY 177.A O no hydrogen 2.795 N/A THR 263.A N LYS 206.A O no hydrogen 3.058 N/A VAL 264.A N ILE 175.A O no hydrogen 2.860 N/A SER 265.A N GLU 204.A O no hydrogen 2.988 N/A