Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 GLU 49.A OE2 no hydrogen 3.508 N/A TYR 4.A N LEU 52.A O no hydrogen 3.040 N/A TYR 4.A OH GLU 49.A OE1 no hydrogen 3.127 N/A TYR 4.A OH GLU 49.A OE2 no hydrogen 3.189 N/A LYS 5.A N GLU 76.A OE1 no hydrogen 2.668 N/A LYS 5.A NZ GLU 3.A OE1 no hydrogen 2.488 N/A LEU 6.A N ASP 54.A O no hydrogen 2.784 N/A VAL 7.A N GLY 77.A O no hydrogen 2.800 N/A VAL 8.A N LEU 56.A O no hydrogen 2.903 N/A VAL 9.A N LEU 79.A O no hydrogen 2.794 N/A VAL 14.A N ALA 11.A O no hydrogen 3.432 N/A LYS 16.A NZ GLY 10.A O no hydrogen 3.314 N/A LYS 16.A NZ ALA 11.A O no hydrogen 3.011 N/A SER 17.A OG ASP 57.A OD1 no hydrogen 3.262 N/A SER 17.A OG ASP 57.A OD2 no hydrogen 2.868 N/A LEU 19.A N GLY 15.A O no hydrogen 2.748 N/A THR 20.A N LYS 16.A O no hydrogen 3.044 N/A THR 20.A OG1 LYS 16.A O no hydrogen 2.818 N/A ILE 21.A N SER 17.A O no hydrogen 2.850 N/A GLN 22.A N ALA 18.A O no hydrogen 2.992 N/A GLN 22.A NE2 ALA 146.A O no hydrogen 2.648 N/A LEU 23.A N LEU 19.A O no hydrogen 2.922 N/A LEU 23.A N THR 20.A O no hydrogen 2.935 N/A ILE 24.A N THR 20.A O no hydrogen 2.957 N/A GLN 25.A N ILE 21.A O no hydrogen 2.810 N/A HIS 27.A ND1 GLN 25.A O no hydrogen 2.886 N/A TYR 32.A OH TYR 40.A OH no hydrogen 3.189 N/A THR 35.A N ASP 33.A OD1 no hydrogen 2.826 N/A THR 35.A OG1 ASP 33.A OD1 no hydrogen 2.923 N/A ILE 36.A N ASP 33.A O no hydrogen 3.093 N/A SER 39.A OG TYR 71.A OH no hydrogen 2.785 N/A TYR 40.A N ILE 55.A O no hydrogen 2.708 N/A TYR 40.A OH TYR 32.A OH no hydrogen 3.189 N/A ARG 41.A NH2 ASP 54.A OD2 no hydrogen 3.054 N/A LYS 42.A N LEU 53.A O no hydrogen 3.350 N/A LYS 42.A NZ ILE 24.A O no hydrogen 2.811 N/A VAL 44.A N CYS 51.A O no hydrogen 3.063 N/A ILE 46.A N GLU 49.A O no hydrogen 2.854 N/A GLU 49.A N ILE 46.A O no hydrogen 2.833 N/A CYS 51.A N VAL 44.A O no hydrogen 2.854 N/A CYS 51.A SG VAL 44.A O no hydrogen 3.997 N/A CYS 51.A SG GLU 49.A O no hydrogen 4.039 N/A CYS 51.A SG GLU 49.A OE1 no hydrogen 3.655 N/A LEU 52.A N THR 2.A O no hydrogen 2.656 N/A LEU 53.A N LYS 42.A O no hydrogen 2.789 N/A ASP 54.A N TYR 4.A O no hydrogen 2.941 N/A ILE 55.A N TYR 40.A O no hydrogen 2.724 N/A LEU 56.A N LEU 6.A O no hydrogen 3.032 N/A ASP 57.A N ASP 38.A O no hydrogen 3.101 N/A ALA 59.A N GLU 37.A OE2 no hydrogen 3.252 N/A GLN 61.A NE2 GLU 63.A OE1 no hydrogen 3.414 N/A SER 65.A N GLU 62.A OE1 no hydrogen 3.132 N/A SER 65.A OG GLU 63.A O no hydrogen 2.700 N/A SER 65.A OG GLN 99.A OE1 no hydrogen 3.164 N/A ALA 66.A N GLU 62.A OE2 no hydrogen 3.181 N/A ARG 68.A NE GLU 37.A OE1 no hydrogen 2.758 N/A ARG 68.A NH2 GLU 37.A O no hydrogen 2.534 N/A TYR 71.A N ARG 68.A O no hydrogen 2.936 N/A TYR 71.A OH SER 39.A OG no hydrogen 2.785 N/A TYR 71.A OH ASP 54.A OD1 no hydrogen 2.713 N/A MET 72.A N ARG 68.A O no hydrogen 2.797 N/A ARG 73.A N ASP 69.A O no hydrogen 2.997 N/A ARG 73.A NH1 ASP 69.A OD1 no hydrogen 2.799 N/A GLY 75.A N MET 72.A O no hydrogen 3.323 N/A GLU 76.A N LYS 5.A O no hydrogen 2.603 N/A PHE 78.A N PRO 110.A O no hydrogen 2.872 N/A LEU 79.A N VAL 7.A O no hydrogen 2.842 N/A CYS 80.A N VAL 112.A O no hydrogen 2.941 N/A VAL 81.A N VAL 9.A O no hydrogen 2.958 N/A PHE 82.A N VAL 114.A O no hydrogen 2.928 N/A ALA 83.A N SER 89.A OG no hydrogen 3.095 N/A ILE 84.A N ASN 116.A O no hydrogen 2.832 N/A ASN 86.A N ALA 83.A O no hydrogen 3.115 N/A THR 87.A OG1 THR 124.A OG1 no hydrogen 2.709 N/A LYS 88.A NZ TYR 64.A OH no hydrogen 2.927 N/A LYS 88.A NZ ASP 92.A OD1 no hydrogen 2.723 N/A LYS 88.A NZ ASP 92.A OD2 no hydrogen 2.602 N/A SER 89.A N ASN 86.A O no hydrogen 3.194 N/A SER 89.A N ASN 86.A OD1 no hydrogen 2.760 N/A SER 89.A OG ASN 86.A O no hydrogen 2.624 N/A PHE 90.A N ASN 86.A O no hydrogen 3.344 N/A GLU 91.A N THR 87.A O no hydrogen 2.707 N/A ASP 92.A N LYS 88.A O no hydrogen 2.770 N/A ILE 93.A N PHE 90.A O no hydrogen 3.333 N/A GLN 95.A N ASP 92.A O no hydrogen 3.135 N/A TYR 96.A N ASP 92.A O no hydrogen 3.453 N/A ARG 97.A N ILE 93.A O no hydrogen 2.946 N/A ARG 97.A NH2 ASP 107.A OD1 no hydrogen 2.959 N/A GLU 98.A N HIS 94.A O no hydrogen 2.971 N/A GLN 99.A N GLN 95.A O no hydrogen 2.879 N/A ILE 100.A N TYR 96.A O no hydrogen 2.900 N/A LYS 101.A N ARG 97.A O no hydrogen 2.800 N/A LYS 101.A NZ GLU 98.A OE1 no hydrogen 2.614 N/A LYS 101.A NZ GLU 98.A OE2 no hydrogen 2.867 N/A LYS 101.A NZ ASP 107.A OD2 no hydrogen 2.922 N/A ARG 102.A N GLU 98.A O no hydrogen 2.739 N/A ARG 102.A NE GLN 99.A OE1 no hydrogen 2.918 N/A ARG 102.A NH2 GLN 99.A OE1 no hydrogen 2.597 N/A VAL 103.A N GLN 99.A O no hydrogen 2.722 N/A LYS 104.A N ILE 100.A O no hydrogen 3.189 N/A LYS 104.A NZ ARG 73.A O no hydrogen 2.647 N/A LYS 104.A NZ GLY 75.A O no hydrogen 2.519 N/A ASP 105.A N ARG 102.A O no hydrogen 3.293 N/A SER 106.A N LYS 101.A O no hydrogen 3.159 N/A SER 106.A OG LYS 104.A O no hydrogen 3.313 N/A VAL 112.A N PHE 78.A O no hydrogen 2.994 N/A LEU 113.A N PRO 140.A O no hydrogen 2.840 N/A VAL 114.A N CYS 80.A O no hydrogen 2.730 N/A GLY 115.A N ILE 142.A O no hydrogen 2.963 N/A ASN 116.A N PHE 82.A O no hydrogen 2.806 N/A ASN 116.A ND2 VAL 14.A O no hydrogen 3.151 N/A LYS 117.A NZ GLY 13.A O no hydrogen 2.628 N/A CYS 118.A N THR 144.A O no hydrogen 3.090 N/A CYS 118.A SG THR 144.A O no hydrogen 3.158 N/A LEU 120.A N LYS 117.A O no hydrogen 2.676 N/A ARG 123.A NH1 VAL 125.A O no hydrogen 2.866 N/A ARG 123.A NH1 GLU 143.A OE2 no hydrogen 2.743 N/A ARG 123.A NH2 GLU 143.A OE1 no hydrogen 2.682 N/A ARG 123.A NH2 GLU 143.A OE2 no hydrogen 2.742 N/A THR 124.A N ILE 84.A O no hydrogen 2.947 N/A THR 124.A OG1 THR 87.A OG1 no hydrogen 2.709 N/A VAL 125.A N ILE 84.A O no hydrogen 3.022 N/A GLU 126.A N GLN 129.A OE1 no hydrogen 3.193 N/A SER 127.A OG GLN 131.A OE1 no hydrogen 3.388 N/A ARG 128.A N GLU 126.A OE1 no hydrogen 3.188 N/A ARG 128.A NE GLU 126.A OE1 no hydrogen 2.664 N/A ARG 128.A NH2 GLU 126.A OE1 no hydrogen 2.753 N/A ARG 128.A NH2 GLU 126.A OE2 no hydrogen 3.329 N/A GLN 129.A N GLU 126.A O no hydrogen 2.827 N/A GLN 131.A N SER 127.A O no hydrogen 2.991 N/A ASP 132.A N ARG 128.A O no hydrogen 3.144 N/A LEU 133.A N GLN 129.A O no hydrogen 2.919 N/A ALA 134.A N ALA 130.A O no hydrogen 2.704 N/A ARG 135.A N GLN 131.A O no hydrogen 3.024 N/A ARG 135.A NH2 ASP 132.A OD1 no hydrogen 2.789 N/A SER 136.A N ASP 132.A O no hydrogen 2.827 N/A SER 136.A OG LEU 133.A O no hydrogen 2.819 N/A TYR 137.A N LEU 133.A O no hydrogen 2.970 N/A GLY 138.A N ARG 135.A O no hydrogen 3.141 N/A ILE 139.A N ALA 134.A O no hydrogen 2.904 N/A TYR 141.A OH GLU 143.A OE2 no hydrogen 2.487 N/A ILE 142.A N LEU 113.A O no hydrogen 2.900 N/A THR 144.A N GLY 115.A O no hydrogen 2.976 N/A THR 144.A OG1 ASN 116.A OD1 no hydrogen 2.829 N/A SER 145.A N GLN 150.A O no hydrogen 2.888 N/A SER 145.A OG ASP 119.A OD1 no hydrogen 2.661 N/A SER 145.A OG THR 148.A OG1 no hydrogen 3.116 N/A LYS 147.A NZ ASP 119.A OD2 no hydrogen 2.610 N/A THR 148.A N SER 145.A OG no hydrogen 2.974 N/A THR 148.A OG1 SER 145.A OG no hydrogen 3.116 N/A ARG 149.A N SER 145.A O no hydrogen 2.820 N/A ARG 149.A NE GLN 22.A O no hydrogen 3.160 N/A ARG 149.A NE GLN 22.A OE1 no hydrogen 2.669 N/A ARG 149.A NH1 GLU 153.A OE2 no hydrogen 2.765 N/A ARG 149.A NH2 GLN 22.A O no hydrogen 2.846 N/A ARG 149.A NH2 LEU 23.A O no hydrogen 3.532 N/A GLN 150.A N THR 148.A OG1 no hydrogen 3.291 N/A VAL 152.A N ARG 149.A O no hydrogen 3.264 N/A ALA 155.A N GLY 151.A O no hydrogen 2.787 N/A PHE 156.A N VAL 152.A O no hydrogen 3.181 N/A TYR 157.A N GLU 153.A O no hydrogen 2.703 N/A THR 158.A N ASP 154.A O no hydrogen 2.849 N/A THR 158.A OG1 ASP 154.A O no hydrogen 2.418 N/A LEU 159.A N ALA 155.A O no hydrogen 3.009 N/A VAL 160.A N PHE 156.A O no hydrogen 2.931 N/A ARG 161.A N TYR 157.A O no hydrogen 2.939 N/A ARG 161.A NE ASP 47.A OD1 no hydrogen 3.030 N/A ARG 161.A NE ASP 47.A OD2 no hydrogen 3.141 N/A ARG 161.A NH2 ASP 47.A OD1 no hydrogen 2.866 N/A GLU 162.A N THR 158.A O no hydrogen 2.955 N/A ILE 163.A N LEU 159.A O no hydrogen 2.950 N/A ARG 164.A N VAL 160.A O no hydrogen 2.849 N/A ARG 164.A NH2 ILE 46.A O no hydrogen 2.871 N/A ARG 164.A NH2 ASP 47.A OD2 no hydrogen 2.816 N/A GLN 165.A N ARG 161.A O no hydrogen 2.915 N/A HIS 166.A N GLU 162.A O no hydrogen 2.971 N/A LYS 167.A N ILE 163.A O no hydrogen 2.757 N/A LEU 168.A N ARG 164.A O no hydrogen 2.742 N/A ARG 169.A N GLN 165.A O no hydrogen 2.960 N/A ARG 169.A N HIS 166.A O no hydrogen 3.344 N/A LYS 170.A N LYS 167.A O no hydrogen 3.373 N/A LEU 171.A N LEU 168.A O no hydrogen 3.184 N/A