Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aqs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 ALA 29.A O no hydrogen 3.133 N/A THR 6.A OG1 ALA 2.A O no hydrogen 3.359 N/A THR 6.A OG1 ARG 3.A O no hydrogen 3.044 N/A SER 7.A OG ILE 25.A O no hydrogen 3.088 N/A ARG 9.A N ILE 5.A O no hydrogen 2.961 N/A ARG 9.A NH2 ASP 53.A OD1 no hydrogen 3.247 N/A THR 10.A OG1 THR 6.A O no hydrogen 2.299 N/A LEU 11.A N SER 7.A O no hydrogen 3.076 N/A MET 12.A N ARG 9.A O no hydrogen 3.108 N/A ALA 13.A N ARG 9.A O no hydrogen 3.293 N/A ARG 15.A N MET 12.A O no hydrogen 3.191 N/A ARG 15.A NH2 GLU 24.A OE2 no hydrogen 3.375 N/A ASN 19.A N GLY 16.A O no hydrogen 2.870 N/A ASN 19.A ND2 ARG 15.A O no hydrogen 2.834 N/A GLY 21.A N GLU 24.A OE1 no hydrogen 2.667 N/A GLU 24.A N GLY 21.A O no hydrogen 3.141 N/A GLU 24.A N GLU 24.A OE1 no hydrogen 3.342 N/A ILE 25.A N GLY 21.A O no hydrogen 3.347 N/A THR 26.A N ILE 22.A O no hydrogen 2.860 N/A THR 26.A OG1 ILE 22.A O no hydrogen 3.004 N/A THR 26.A OG1 ALA 23.A O no hydrogen 3.174 N/A GLY 28.A N GLU 24.A O no hydrogen 2.938 N/A ALA 29.A N ILE 25.A O no hydrogen 2.825 N/A ASN 30.A N THR 26.A O no hydrogen 2.698 N/A ILE 31.A N THR 26.A O no hydrogen 2.856 N/A THR 35.A N GLY 32.A O no hydrogen 2.479 N/A THR 35.A OG1 GLY 32.A O no hydrogen 2.708 N/A ASN 38.A N THR 35.A O no hydrogen 2.835 N/A TYR 39.A N PHE 36.A O no hydrogen 3.164 N/A ARG 43.A NE VAL 20.A O no hydrogen 3.096 N/A ARG 43.A NH2 VAL 20.A O no hydrogen 3.454 N/A GLU 44.A N ASP 42.A OD2 no hydrogen 3.134 N/A LEU 47.A N ARG 43.A O no hydrogen 3.097 N/A GLN 48.A N GLU 44.A O no hydrogen 3.025 N/A ALA 49.A N GLN 45.A O no hydrogen 3.365 N/A VAL 50.A N LEU 46.A O no hydrogen 2.874 N/A ALA 51.A N LEU 47.A O no hydrogen 3.088 N/A GLU 52.A N GLN 48.A O no hydrogen 2.857 N/A ASP 53.A N ALA 49.A O no hydrogen 2.918 N/A ALA 54.A N VAL 50.A O no hydrogen 3.232 N/A PHE 55.A N ALA 51.A O no hydrogen 2.799 N/A GLU 56.A N GLU 52.A O no hydrogen 2.772 N/A SER 57.A N ASP 53.A O no hydrogen 3.312 N/A SER 57.A OG ALA 54.A O no hydrogen 2.733 N/A VAL 58.A N ALA 54.A O no hydrogen 3.459 N/A VAL 58.A N PHE 55.A O no hydrogen 2.894 N/A GLY 59.A N PHE 55.A O no hydrogen 2.499 N/A ILE 60.A N GLU 56.A O no hydrogen 2.793 N/A ALA 61.A N SER 57.A O no hydrogen 3.106 N/A LEU 62.A N VAL 58.A O no hydrogen 2.675 N/A ASP 63.A N GLY 59.A O no hydrogen 3.402 N/A GLN 64.A N ILE 60.A O no hydrogen 3.224 N/A VAL 65.A N LEU 62.A O no hydrogen 2.985 N/A LEU 66.A N LEU 62.A O no hydrogen 2.979 N/A ALA 73.A N ASP 71.A OD2 no hydrogen 2.681 N/A GLU 74.A N ASP 71.A O no hydrogen 3.089 N/A VAL 75.A N ASP 71.A O no hydrogen 3.258 N/A PHE 76.A N PRO 72.A O no hydrogen 3.114 N/A ALA 77.A N ALA 73.A O no hydrogen 3.303 N/A GLY 78.A N GLU 74.A O no hydrogen 2.534 N/A SER 79.A N VAL 75.A O no hydrogen 3.421 N/A SER 79.A OG VAL 75.A O no hydrogen 2.591 N/A LEU 80.A N PHE 76.A O no hydrogen 2.897 N/A ARG 81.A N ALA 77.A O no hydrogen 2.657 N/A ARG 81.A NE ASP 155.A OD2 no hydrogen 3.087 N/A ARG 81.A NH1 ARG 179.A O no hydrogen 2.557 N/A ARG 81.A NH2 ASP 155.A OD2 no hydrogen 3.381 N/A HIS 82.A N GLY 78.A O no hydrogen 2.995 N/A LEU 83.A N SER 79.A O no hydrogen 2.924 N/A VAL 84.A N LEU 80.A O no hydrogen 2.928 N/A ARG 85.A N ARG 81.A O no hydrogen 2.686 N/A ARG 85.A NE ASP 155.A OD2 no hydrogen 3.156 N/A ARG 85.A NH2 ASP 155.A OD2 no hydrogen 3.243 N/A SER 87.A N LEU 83.A O no hydrogen 3.229 N/A SER 87.A OG LEU 83.A O no hydrogen 2.648 N/A LEU 88.A N VAL 84.A O no hydrogen 3.318 N/A ASP 90.A N HIS 86.A O no hydrogen 3.204 N/A GLY 94.A N ASP 90.A O no hydrogen 3.106 N/A GLY 95.A N ARG 91.A O no hydrogen 3.227 N/A PHE 96.A N ILE 92.A O no hydrogen 3.341 N/A PHE 96.A N TRP 93.A O no hydrogen 2.823 N/A PHE 97.A N GLY 94.A O no hydrogen 3.335 N/A MET 100.A N GLY 95.A O no hydrogen 3.216 N/A VAL 106.A N ALA 102.A O no hydrogen 2.725 N/A LEU 107.A N HIS 104.A O no hydrogen 2.862 N/A MET 108.A N HIS 104.A O no hydrogen 3.106 N/A ARG 109.A NH2 GLN 48.A OE1 no hydrogen 3.116 N/A LEU 111.A N LEU 107.A O no hydrogen 2.866 N/A GLY 112.A N LEU 107.A O no hydrogen 2.991 N/A ARG 114.A NE GLY 59.A O no hydrogen 2.711 N/A ARG 114.A NE ASP 63.A OD2 no hydrogen 2.448 N/A ARG 114.A NH1 GLU 56.A OE2 no hydrogen 2.619 N/A ARG 114.A NH1 ILE 110.A O no hydrogen 3.009 N/A ARG 114.A NH2 ASP 63.A OD2 no hydrogen 3.056 N/A ALA 115.A N LEU 111.A O no hydrogen 2.664 N/A ARG 116.A N GLY 112.A O no hydrogen 3.143 N/A ARG 116.A NE ASP 134.A OD1 no hydrogen 2.832 N/A ARG 116.A NH2 ASP 134.A OD2 no hydrogen 3.397 N/A ARG 117.A N PRO 113.A O no hydrogen 2.795 N/A ASP 118.A N ARG 114.A O no hydrogen 3.023 N/A LEU 119.A N ALA 115.A O no hydrogen 2.803 N/A LEU 120.A N ARG 116.A O no hydrogen 2.877 N/A HIS 121.A N ARG 117.A O no hydrogen 2.983 N/A GLY 122.A N ASP 118.A O no hydrogen 3.009 N/A LEU 123.A N LEU 120.A O no hydrogen 2.946 N/A GLU 124.A N LEU 120.A O no hydrogen 2.928 N/A THR 125.A OG1 HIS 121.A O no hydrogen 3.546 N/A GLY 126.A N LEU 123.A O no hydrogen 2.686 N/A ARG 127.A NE ASP 71.A OD1 no hydrogen 3.065 N/A ARG 127.A NE ASP 71.A OD2 no hydrogen 2.733 N/A ARG 127.A NH2 ASP 71.A OD1 no hydrogen 3.374 N/A ARG 127.A NH2 GLU 172.A OE2 no hydrogen 2.907 N/A PHE 128.A N GLY 122.A O no hydrogen 2.685 N/A THR 129.A N VAL 166.A O no hydrogen 2.599 N/A ASP 134.A N ASP 132.A OD1 no hydrogen 2.836 N/A LEU 135.A N ASP 132.A OD1 no hydrogen 2.846 N/A ALA 136.A N ASP 132.A O no hydrogen 3.089 N/A THR 138.A N ASP 134.A O no hydrogen 2.639 N/A CYS 139.A N LEU 135.A O no hydrogen 2.929 N/A CYS 139.A SG LEU 135.A O no hydrogen 3.459 N/A THR 140.A N ALA 136.A O no hydrogen 3.012 N/A THR 140.A OG1 ALA 136.A O no hydrogen 2.941 N/A PHE 141.A N THR 138.A O no hydrogen 2.845 N/A GLY 142.A N THR 138.A O no hydrogen 2.758 N/A SER 143.A N CYS 139.A O no hydrogen 2.958 N/A SER 143.A OG CYS 139.A O no hydrogen 2.861 N/A ILE 145.A N PHE 141.A O no hydrogen 3.257 N/A ILE 145.A N GLY 142.A O no hydrogen 3.167 N/A ALA 146.A N GLY 142.A O no hydrogen 3.243 N/A ALA 147.A N SER 143.A O no hydrogen 2.793 N/A ILE 148.A N ILE 145.A O no hydrogen 2.564 N/A GLN 149.A N ILE 145.A O no hydrogen 2.813 N/A MET 150.A N ALA 146.A O no hydrogen 3.274 N/A ALA 151.A N ALA 147.A O no hydrogen 3.065 N/A LEU 152.A N ILE 148.A O no hydrogen 2.725 N/A LEU 152.A N GLN 149.A O no hydrogen 3.150 N/A SER 153.A OG GLN 149.A O no hydrogen 3.079 N/A PHE 158.A N LYS 154.A O no hydrogen 2.982 N/A ALA 160.A N GLN 156.A O no hydrogen 2.698 N/A ALA 161.A N PHE 158.A O no hydrogen 2.740 N/A MET 162.A N ALA 159.A O no hydrogen 2.593 N/A LEU 163.A N ALA 159.A O no hydrogen 3.118 N/A ARG 164.A NH2 ALA 170.A O no hydrogen 3.091 N/A VAL 166.A N MET 162.A O no hydrogen 2.926 N/A GLY 167.A N ARG 164.A O no hydrogen 2.587 N/A VAL 168.A N LEU 163.A O no hydrogen 2.950 N/A ALA 173.A N GLN 169.A O no hydrogen 2.914 N/A ARG 174.A NH2 GLN 156.A OE1 no hydrogen 3.235 N/A ILE 176.A N GLU 172.A O no hydrogen 3.378 N/A ILE 176.A N ALA 173.A O no hydrogen 3.007 N/A ALA 177.A N ALA 173.A O no hydrogen 3.142 N/A SER 178.A N GLU 175.A O no hydrogen 3.269 N/A SER 178.A OG ARG 174.A O no hydrogen 2.458 N/A SER 178.A OG GLU 175.A O no hydrogen 2.535 N/A ARG 179.A N ILE 176.A O no hydrogen 3.257 N/A SER 185.A N GLU 183.A OE2 no hydrogen 3.037 N/A