Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kqc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASP 1.A OD1 no hydrogen 3.122 N/A SER 4.A OG ASP 1.A OD2 no hydrogen 2.677 N/A VAL 5.A N ASP 1.A O no hydrogen 3.197 N/A ALA 6.A N ILE 2.A O no hydrogen 2.986 N/A LEU 7.A N ILE 3.A O no hydrogen 2.948 N/A LYS 8.A N VAL 5.A O no hydrogen 3.026 N/A ARG 9.A N VAL 5.A O no hydrogen 2.723 N/A HIS 10.A NE2 ASP 197.A OD2 no hydrogen 2.579 N/A THR 12.A N ALA 160.A O no hydrogen 3.103 N/A THR 12.A OG1 ALA 160.A O no hydrogen 3.360 N/A LYS 13.A N ASP 197.A OD1 no hydrogen 2.979 N/A ASP 16.A N HIS 192.A O no hydrogen 2.790 N/A SER 18.A N ASP 16.A OD1 no hydrogen 2.842 N/A SER 18.A OG ASP 16.A OD1 no hydrogen 2.561 N/A LYS 19.A N ASP 16.A O no hydrogen 3.286 N/A LYS 20.A NZ ALA 17.A O no hydrogen 3.412 N/A LEU 21.A N SER 78.A OG no hydrogen 2.974 N/A THR 22.A N GLU 25.A OE1 no hydrogen 2.894 N/A GLU 25.A N THR 22.A OG1 no hydrogen 3.016 N/A ALA 26.A N THR 22.A O no hydrogen 2.964 N/A GLU 27.A N ALA 23.A O no hydrogen 3.146 N/A LYS 28.A N GLU 24.A O no hydrogen 2.954 N/A ILE 29.A N GLU 25.A O no hydrogen 2.951 N/A LYS 30.A N ALA 26.A O no hydrogen 3.449 N/A LYS 30.A NZ GLU 27.A OE2 no hydrogen 3.469 N/A THR 31.A N GLU 27.A O no hydrogen 3.091 N/A THR 31.A OG1 GLU 27.A O no hydrogen 3.112 N/A LEU 32.A N LYS 28.A O no hydrogen 3.056 N/A LEU 33.A N ILE 29.A O no hydrogen 3.207 N/A GLN 34.A N LYS 30.A O no hydrogen 3.010 N/A TYR 35.A N THR 31.A O no hydrogen 2.898 N/A SER 36.A OG PRO 37.A O no hydrogen 3.057 N/A SER 39.A N GLN 141.A OE1 no hydrogen 2.814 N/A THR 40.A OG1 SER 39.A O no hydrogen 2.473 N/A ASN 41.A N SER 38.A O no hydrogen 2.757 N/A ASN 41.A ND2 GLU 101.A OE2 no hydrogen 2.982 N/A SER 42.A N SER 39.A O no hydrogen 3.002 N/A SER 42.A OG SER 39.A O no hydrogen 2.795 N/A GLN 43.A N SER 38.A OG no hydrogen 2.994 N/A GLN 43.A NE2 ASN 41.A O no hydrogen 2.972 N/A HIS 46.A N CYS 84.A O no hydrogen 3.020 N/A ILE 48.A N VAL 82.A O no hydrogen 3.139 N/A ALA 50.A N VAL 80.A O no hydrogen 2.921 N/A THR 52.A OG1 GLU 54.A OE1 no hydrogen 3.229 N/A GLY 55.A N THR 52.A OG1 no hydrogen 2.922 N/A LYS 56.A N THR 52.A O no hydrogen 2.986 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 2.918 N/A LYS 56.A NZ LEU 75.A O no hydrogen 2.952 N/A LYS 56.A NZ ALA 77.A O no hydrogen 2.844 N/A ALA 57.A N GLU 53.A O no hydrogen 3.014 N/A ARG 58.A N GLU 54.A O no hydrogen 3.077 N/A ARG 58.A NE GLU 174.A OE2 no hydrogen 2.658 N/A ARG 58.A NH2 GLU 174.A O no hydrogen 2.661 N/A VAL 59.A N GLY 55.A O no hydrogen 3.183 N/A ALA 60.A N LYS 56.A O no hydrogen 2.762 N/A LYS 61.A N ARG 58.A O no hydrogen 3.252 N/A LYS 61.A NZ GLU 174.A OE1 no hydrogen 2.631 N/A SER 62.A N VAL 59.A O no hydrogen 3.028 N/A SER 62.A OG VAL 59.A O no hydrogen 2.801 N/A ALA 63.A N ALA 60.A O no hydrogen 2.929 N/A TYR 67.A N ALA 64.A O no hydrogen 2.810 N/A VAL 68.A N GLY 65.A O no hydrogen 2.961 N/A ASN 70.A N TYR 67.A O no hydrogen 2.903 N/A ASN 70.A ND2 GLY 165.A O no hydrogen 2.860 N/A GLU 71.A N VAL 68.A O no hydrogen 3.081 N/A ARG 72.A NE ASP 76.A OD2 no hydrogen 3.014 N/A ARG 72.A NH2 ASP 76.A OD2 no hydrogen 3.169 N/A LYS 73.A NZ ASN 70.A OD1 no hydrogen 3.136 N/A MET 74.A N ASN 70.A O no hydrogen 3.477 N/A LEU 75.A N GLU 71.A O no hydrogen 3.026 N/A ASP 76.A N ARG 72.A O no hydrogen 2.823 N/A ALA 77.A N LYS 73.A O no hydrogen 3.323 N/A SER 78.A N VAL 190.A O no hydrogen 3.038 N/A SER 78.A OG HIS 79.A ND1 no hydrogen 2.756 N/A HIS 79.A N VAL 190.A O no hydrogen 3.064 N/A HIS 79.A ND1 SER 78.A OG no hydrogen 2.756 N/A VAL 80.A N ALA 50.A O no hydrogen 2.853 N/A VAL 81.A N VAL 188.A O no hydrogen 2.996 N/A VAL 82.A N ILE 48.A O no hydrogen 2.793 N/A PHE 83.A N VAL 186.A O no hydrogen 2.729 N/A CYS 84.A N HIS 46.A O no hydrogen 2.915 N/A CYS 84.A SG VAL 82.A O no hydrogen 3.665 N/A ALA 85.A N THR 183.A O no hydrogen 3.050 N/A LYS 86.A N PRO 44.A O no hydrogen 2.967 N/A LYS 86.A NZ ASP 90.A OD1 no hydrogen 2.646 N/A THR 87.A N GLY 181.A O no hydrogen 3.022 N/A MET 89.A N ASP 134.A OD2 no hydrogen 2.962 N/A TRP 93.A N ASP 90.A O no hydrogen 3.224 N/A TRP 93.A N ASP 90.A OD2 no hydrogen 3.167 N/A TRP 93.A NE1 SER 42.A O no hydrogen 2.774 N/A TRP 93.A NE1 GLN 43.A O no hydrogen 3.056 N/A LEU 94.A N ASP 90.A O no hydrogen 3.458 N/A GLU 95.A N ASP 91.A O no hydrogen 2.956 N/A ARG 96.A N ALA 92.A O no hydrogen 3.110 N/A VAL 97.A N TRP 93.A O no hydrogen 3.034 N/A VAL 98.A N LEU 94.A O no hydrogen 3.301 N/A ASP 99.A N GLU 95.A O no hydrogen 2.897 N/A GLN 100.A N ARG 96.A O no hydrogen 2.957 N/A GLN 100.A NE2 ASP 104.A OD1 no hydrogen 3.314 N/A GLN 100.A NE2 ASP 104.A OD2 no hydrogen 2.951 N/A GLU 101.A N VAL 97.A O no hydrogen 2.992 N/A GLU 102.A N VAL 98.A O no hydrogen 3.073 N/A ALA 103.A N ASP 99.A O no hydrogen 3.034 N/A ASP 104.A N GLN 100.A O no hydrogen 2.849 N/A GLY 105.A N GLU 102.A O no hydrogen 2.907 N/A ARG 106.A N GLU 101.A O no hydrogen 2.973 N/A ARG 106.A NE GLU 101.A OE1 no hydrogen 3.059 N/A ALA 112.A N THR 109.A O no hydrogen 3.045 N/A ALA 112.A N THR 109.A OG1 no hydrogen 2.952 N/A LYS 113.A N THR 109.A O no hydrogen 3.294 N/A LYS 113.A NZ ASP 99.A OD1 no hydrogen 2.730 N/A LYS 113.A NZ GLU 102.A OE1 no hydrogen 2.705 N/A ALA 114.A N PRO 110.A O no hydrogen 3.027 N/A ALA 115.A N GLU 111.A O no hydrogen 2.967 N/A ASN 116.A N ALA 112.A O no hydrogen 3.033 N/A HIS 117.A N LYS 113.A O no hydrogen 2.829 N/A LYS 118.A N ALA 114.A O no hydrogen 2.786 N/A GLY 119.A N ALA 115.A O no hydrogen 3.076 N/A ARG 120.A N ASN 116.A O no hydrogen 3.043 N/A ARG 120.A NE THR 40.A O no hydrogen 2.730 N/A ARG 120.A NH1 ASN 116.A OD1 no hydrogen 2.687 N/A ARG 120.A NH2 THR 40.A O no hydrogen 3.048 N/A ARG 120.A NH2 ASN 116.A OD1 no hydrogen 2.987 N/A THR 121.A N HIS 117.A O no hydrogen 2.873 N/A THR 121.A OG1 HIS 117.A O no hydrogen 2.937 N/A TYR 122.A N LYS 118.A O no hydrogen 2.925 N/A PHE 123.A N GLY 119.A O no hydrogen 3.307 N/A ALA 124.A N ARG 120.A O no hydrogen 2.893 N/A ASP 125.A N THR 121.A O no hydrogen 2.803 N/A MET 126.A N TYR 122.A O no hydrogen 3.026 N/A HIS 127.A N PHE 123.A O no hydrogen 3.344 N/A HIS 127.A N ALA 124.A O no hydrogen 3.172 N/A HIS 127.A ND1 ASP 133.A OD1 no hydrogen 2.782 N/A ARG 128.A N ALA 124.A O no hydrogen 2.805 N/A ARG 128.A NE ASP 125.A OD1 no hydrogen 3.321 N/A ARG 128.A NH1 MET 89.A O no hydrogen 2.907 N/A ARG 128.A NH1 ASP 91.A OD1 no hydrogen 3.120 N/A ARG 128.A NH2 ASP 91.A OD1 no hydrogen 3.183 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 2.705 N/A VAL 129.A N ASP 125.A O no hydrogen 2.714 N/A ASP 130.A N ASP 125.A O no hydrogen 3.201 N/A LEU 131.A N MET 126.A O no hydrogen 2.836 N/A ASP 133.A N HIS 127.A O no hydrogen 2.807 N/A GLN 136.A N ASP 135.A OD2 no hydrogen 2.696 N/A TRP 137.A N ASP 133.A O no hydrogen 2.860 N/A MET 138.A N ASP 134.A O no hydrogen 3.028 N/A ALA 139.A N ASP 135.A O no hydrogen 3.140 N/A LYS 140.A N GLN 136.A O no hydrogen 3.001 N/A GLN 141.A N TRP 137.A O no hydrogen 3.351 N/A GLN 141.A NE2 TRP 137.A O no hydrogen 3.075 N/A VAL 142.A N MET 138.A O no hydrogen 3.119 N/A TYR 143.A N ALA 139.A O no hydrogen 3.050 N/A TYR 143.A OH GLU 164.A OE2 no hydrogen 2.693 N/A LEU 144.A N LYS 140.A O no hydrogen 3.038 N/A ASN 145.A N GLN 141.A O no hydrogen 3.017 N/A ASN 145.A ND2 LEU 33.A O no hydrogen 2.950 N/A VAL 146.A N VAL 142.A O no hydrogen 2.848 N/A GLY 147.A N TYR 143.A O no hydrogen 2.858 N/A ASN 148.A N LEU 144.A O no hydrogen 2.969 N/A PHE 149.A N ASN 145.A O no hydrogen 2.810 N/A LEU 150.A N VAL 146.A O no hydrogen 2.898 N/A LEU 151.A N GLY 147.A O no hydrogen 3.482 N/A GLY 152.A N ASN 148.A O no hydrogen 3.045 N/A VAL 153.A N PHE 149.A O no hydrogen 2.887 N/A GLY 154.A N LEU 150.A O no hydrogen 3.076 N/A ALA 155.A N LEU 151.A O no hydrogen 2.776 N/A MET 156.A N VAL 153.A O no hydrogen 2.925 N/A GLY 157.A N GLY 154.A O no hydrogen 2.905 N/A LEU 158.A N VAL 153.A O no hydrogen 2.982 N/A ASP 159.A N GLY 191.A O no hydrogen 2.845 N/A VAL 161.A N PRO 189.A O no hydrogen 3.255 N/A ILE 163.A N VAL 187.A O no hydrogen 2.713 N/A PHE 166.A N GLU 164.A O no hydrogen 2.906 N/A ASP 167.A N SER 62.A O no hydrogen 2.806 N/A ILE 170.A N ASP 167.A OD1 no hydrogen 2.992 N/A LEU 171.A N ASP 167.A O no hydrogen 3.026 N/A ASP 172.A N ALA 168.A O no hydrogen 2.644 N/A GLU 173.A N ALA 169.A O no hydrogen 2.997 N/A GLU 174.A N ILE 170.A O no hydrogen 2.986 N/A PHE 175.A N LEU 171.A O no hydrogen 3.197 N/A GLY 176.A N GLU 173.A O no hydrogen 3.211 N/A LEU 177.A N ASP 172.A O no hydrogen 3.009 N/A GLU 179.A N GLU 179.A OE1 no hydrogen 2.420 N/A LYS 180.A N GLY 176.A O no hydrogen 3.449 N/A GLY 181.A N LYS 178.A O no hydrogen 3.081 N/A PHE 182.A N LEU 177.A O no hydrogen 2.908 N/A THR 183.A N ALA 85.A O no hydrogen 2.988 N/A THR 183.A OG1 ASP 172.A OD2 no hydrogen 2.679 N/A SER 184.A N ASP 172.A OD1 no hydrogen 2.772 N/A SER 184.A OG ALA 168.A O no hydrogen 3.459 N/A SER 184.A OG ASP 172.A OD1 no hydrogen 2.771 N/A LEU 185.A N PHE 83.A O no hydrogen 2.873 N/A VAL 186.A N PHE 83.A O no hydrogen 3.489 N/A VAL 187.A N ILE 163.A O no hydrogen 3.028 N/A VAL 188.A N VAL 81.A O no hydrogen 2.649 N/A VAL 190.A N HIS 79.A O no hydrogen 2.668 N/A GLY 191.A N ASP 159.A O no hydrogen 2.859 N/A HIS 193.A N ASP 159.A OD2 no hydrogen 2.882 N/A HIS 193.A ND1 ASP 159.A OD2 no hydrogen 2.678 N/A SER 194.A N ALA 14.A O no hydrogen 2.989 N/A SER 194.A OG GLU 196.A OE1 no hydrogen 3.561 N/A ASP 197.A N SER 194.A O no hydrogen 3.007 N/A ASN 199.A ND2 SER 11.A O no hydrogen 2.724 N/A ALA 200.A N ASP 197.A O no hydrogen 3.061 N/A THR 201.A N PHE 198.A O no hydrogen 3.030 N/A THR 201.A OG1 PHE 198.A O no hydrogen 2.847 N/A LEU 202.A N PHE 198.A O no hydrogen 3.383 N/A LYS 204.A NZ ARG 9.A O no hydrogen 2.735 N/A ARG 206.A NH1 SER 205.A O no hydrogen 2.910 N/A THR 211.A N PRO 208.A O no hydrogen 2.952 N/A ILE 212.A N PRO 208.A O no hydrogen 3.204 N/A VAL 213.A N LEU 209.A O no hydrogen 2.862 N/A