Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3him_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N SER 2.A OG no hydrogen 3.171 N/A ALA 6.A N SER 2.A O no hydrogen 2.900 N/A ARG 7.A N LYS 3.A O no hydrogen 2.955 N/A ILE 8.A N ALA 4.A O no hydrogen 3.052 N/A ARG 9.A N ALA 5.A O no hydrogen 2.975 N/A ARG 9.A NE GLU 57.A OE1 no hydrogen 3.029 N/A ARG 9.A NH1 TYR 44.A OH no hydrogen 2.845 N/A ALA 10.A N ALA 6.A O no hydrogen 3.037 N/A ALA 11.A N ARG 7.A O no hydrogen 2.945 N/A ALA 12.A N ILE 8.A O no hydrogen 2.780 N/A ILE 13.A N ARG 9.A O no hydrogen 2.921 N/A GLU 14.A N ALA 10.A O no hydrogen 3.450 N/A VAL 15.A N ALA 11.A O no hydrogen 3.100 N/A PHE 16.A N ALA 12.A O no hydrogen 2.669 N/A ALA 17.A N ILE 13.A O no hydrogen 2.877 N/A ALA 18.A N GLU 14.A O no hydrogen 2.848 N/A LYS 19.A N VAL 15.A O no hydrogen 2.699 N/A GLY 20.A N PHE 16.A O no hydrogen 2.855 N/A THR 24.A N TYR 21.A O no hydrogen 3.266 N/A THR 24.A OG1 THR 25.A O no hydrogen 3.545 N/A THR 25.A N GLU 28.A OE1 no hydrogen 2.838 N/A GLU 28.A N THR 25.A OG1 no hydrogen 3.178 N/A ILE 29.A N THR 25.A O no hydrogen 3.230 N/A ALA 30.A N THR 26.A O no hydrogen 2.795 N/A ALA 31.A N ARG 27.A O no hydrogen 2.746 N/A SER 32.A N GLU 28.A O no hydrogen 2.729 N/A SER 32.A OG GLU 28.A O no hydrogen 3.544 N/A SER 32.A OG ILE 29.A O no hydrogen 2.704 N/A LEU 33.A N ILE 29.A O no hydrogen 3.339 N/A LEU 33.A N ALA 30.A O no hydrogen 3.179 N/A ASP 34.A N ALA 31.A O no hydrogen 2.909 N/A MET 35.A N ALA 30.A O no hydrogen 2.932 N/A ALA 39.A N SER 36.A O no hydrogen 3.227 N/A HIS 43.A N VAL 40.A O no hydrogen 2.838 N/A TYR 44.A N VAL 40.A O no hydrogen 2.740 N/A LYS 45.A NZ TYR 41.A O no hydrogen 3.028 N/A LYS 47.A NZ TYR 21.A O no hydrogen 2.751 N/A LYS 47.A NZ THR 24.A O no hydrogen 2.866 N/A SER 49.A N THR 46.A OG1 no hydrogen 2.956 N/A SER 49.A OG THR 46.A O no hydrogen 2.944 N/A LEU 50.A N LYS 47.A O no hydrogen 3.071 N/A LEU 51.A N LYS 47.A O no hydrogen 3.002 N/A TYR 52.A N GLU 48.A O no hydrogen 2.797 N/A ALA 53.A N SER 49.A O no hydrogen 2.965 N/A ILE 54.A N LEU 50.A O no hydrogen 2.910 N/A SER 55.A N LEU 51.A O no hydrogen 2.895 N/A SER 55.A OG GLY 101.A O no hydrogen 2.784 N/A LEU 56.A N TYR 52.A O no hydrogen 2.911 N/A GLU 57.A N ALA 53.A O no hydrogen 3.102 N/A GLY 58.A N ILE 54.A O no hydrogen 2.940 N/A HIS 59.A N SER 55.A O no hydrogen 2.798 N/A HIS 59.A NE2 GLY 101.A O no hydrogen 3.272 N/A HIS 60.A N LEU 56.A O no hydrogen 2.999 N/A SER 61.A N GLU 57.A O no hydrogen 3.021 N/A VAL 62.A N GLY 58.A O no hydrogen 3.115 N/A LEU 63.A N HIS 59.A O no hydrogen 3.225 N/A ALA 64.A N HIS 60.A O no hydrogen 2.836 N/A ALA 65.A N SER 61.A O no hydrogen 2.886 N/A ILE 66.A N VAL 62.A O no hydrogen 3.031 N/A THR 67.A N LEU 63.A O no hydrogen 2.843 N/A THR 67.A OG1 LEU 63.A O no hydrogen 2.725 N/A ALA 68.A N ALA 64.A O no hydrogen 2.880 N/A ALA 69.A N ALA 65.A O no hydrogen 3.198 N/A ALA 69.A N ILE 66.A O no hydrogen 3.115 N/A ASP 70.A N THR 67.A O no hydrogen 2.965 N/A ILE 74.A N PHE 71.A O no hydrogen 2.960 N/A ARG 79.A N ALA 75.A O no hydrogen 3.090 N/A ARG 79.A NE ASP 70.A OD1 no hydrogen 2.804 N/A ARG 79.A NH2 ASP 70.A OD1 no hydrogen 3.498 N/A ARG 79.A NH2 ASP 70.A OD2 no hydrogen 3.008 N/A LEU 80.A N ALA 76.A O no hydrogen 2.875 N/A MET 81.A N PRO 77.A O no hydrogen 3.005 N/A SER 82.A N ASP 78.A O no hydrogen 2.906 N/A SER 82.A OG ALA 69.A O no hydrogen 2.617 N/A THR 83.A N ARG 79.A O no hydrogen 2.880 N/A THR 83.A OG1 ARG 79.A O no hydrogen 2.726 N/A THR 83.A OG1 LEU 80.A O no hydrogen 3.322 N/A VAL 84.A N LEU 80.A O no hydrogen 2.926 N/A THR 85.A N MET 81.A O no hydrogen 3.113 N/A THR 85.A OG1 MET 81.A O no hydrogen 2.605 N/A ALA 86.A N SER 82.A O no hydrogen 3.145 N/A TYR 87.A N THR 83.A O no hydrogen 2.874 N/A TYR 87.A OH THR 153.A O no hydrogen 2.897 N/A VAL 88.A N VAL 84.A O no hydrogen 2.812 N/A THR 89.A N THR 85.A O no hydrogen 2.978 N/A THR 89.A OG1 THR 85.A O no hydrogen 2.963 N/A TRP 90.A N ALA 86.A O no hydrogen 2.935 N/A TRP 90.A NE1 SER 61.A OG no hydrogen 2.777 N/A HIS 91.A N TYR 87.A O no hydrogen 3.327 N/A HIS 91.A ND1 SER 160.A OG.A no hydrogen 3.070 N/A ALA 92.A N VAL 88.A O no hydrogen 3.016 N/A ASP 93.A N THR 89.A O no hydrogen 2.769 N/A ASN 94.A ND2 TRP 90.A O no hydrogen 2.998 N/A ARG 95.A NH1 ALA 92.A O no hydrogen 3.087 N/A ALA 98.A N ASN 94.A O no hydrogen 2.861 N/A ARG 99.A N ARG 95.A O no hydrogen 2.739 N/A VAL 100.A N ALA 96.A O no hydrogen 3.079 N/A GLY 101.A N SER 97.A O no hydrogen 2.839 N/A TYR 103.A N ARG 99.A O no hydrogen 2.913 N/A TYR 103.A OH ASP 158.A OD1 no hydrogen 3.417 N/A SER 107.A N GLU 104.A O no hydrogen 2.688 N/A LEU 108.A N LEU 105.A O no hydrogen 3.097 N/A SER 109.A N GLU 48.A OE2 no hydrogen 2.925 N/A SER 109.A OG GLU 48.A OE2 no hydrogen 3.521 N/A SER 109.A OG HIS 112.A ND1 no hydrogen 2.996 N/A HIS 112.A N SER 109.A OG no hydrogen 3.240 N/A HIS 112.A ND1 GLU 48.A OE2 no hydrogen 2.677 N/A PHE 113.A N SER 109.A O no hydrogen 2.613 N/A ALA 114.A N PRO 110.A O no hydrogen 3.002 N/A ILE 115.A N GLU 111.A O no hydrogen 3.158 N/A ILE 116.A N HIS 112.A O no hydrogen 2.953 N/A ALA 117.A N PHE 113.A O no hydrogen 2.820 N/A ASP 118.A N ALA 114.A O no hydrogen 2.917 N/A ILE 119.A N ILE 115.A O no hydrogen 3.313 N/A ARG 120.A N ILE 116.A O no hydrogen 2.971 N/A ARG 121.A N ALA 117.A O no hydrogen 2.929 N/A SER 122.A N ASP 118.A O no hydrogen 3.104 N/A SER 122.A OG ASP 118.A O no hydrogen 3.043 N/A THR 123.A N ILE 119.A O no hydrogen 2.827 N/A THR 123.A OG1 ILE 119.A O no hydrogen 2.728 N/A THR 124.A N ARG 120.A O no hydrogen 2.761 N/A THR 124.A OG1 ARG 120.A O no hydrogen 3.142 N/A THR 124.A OG1 THR 153.A OG1.B no hydrogen 3.244 N/A LYS 125.A N ARG 121.A O no hydrogen 2.741 N/A VAL 126.A N SER 122.A O no hydrogen 3.360 N/A VAL 126.A N THR 123.A O no hydrogen 3.234 N/A THR 128.A N THR 124.A O no hydrogen 2.905 N/A THR 128.A OG1 LYS 125.A O no hydrogen 3.054 N/A ARG 129.A N LYS 125.A O no hydrogen 2.548 N/A ILE 130.A N VAL 126.A O no hydrogen 3.155 N/A ILE 131.A N PHE 127.A O no hydrogen 2.812 N/A GLU 132.A N THR 128.A O no hydrogen 2.735 N/A ALA 133.A N ARG 129.A O no hydrogen 3.020 N/A GLY 134.A N ILE 130.A O no hydrogen 2.985 N/A ALA 135.A N ILE 131.A O no hydrogen 2.897 N/A THR 136.A N GLU 132.A O no hydrogen 2.872 N/A GLY 138.A N ALA 135.A O no hydrogen 2.986 N/A PHE 140.A N GLY 134.A O no hydrogen 3.126 N/A ALA 147.A N ASP 144.A OD1 no hydrogen 2.823 N/A ALA 148.A N ASP 144.A O no hydrogen 3.046 N/A ALA 149.A N ILE 145.A O no hydrogen 3.019 N/A LEU 150.A N GLU 146.A O no hydrogen 2.924 N/A ALA 151.A N ALA 147.A O no hydrogen 2.914 N/A ILE 152.A N ALA 148.A O no hydrogen 2.872 N/A THR 153.A N ALA 149.A O no hydrogen 2.915 N/A THR 153.A OG1.A ALA 149.A O no hydrogen 2.964 N/A THR 153.A OG1.A LEU 150.A O no hydrogen 2.561 N/A THR 153.A OG1.B THR 124.A OG1 no hydrogen 3.244 N/A THR 153.A OG1.B ALA 149.A O no hydrogen 2.594 N/A SER 154.A N LEU 150.A O no hydrogen 2.822 N/A LEU 155.A N ALA 151.A O no hydrogen 2.923 N/A GLY 156.A N ILE 152.A O no hydrogen 3.091 N/A ILE 157.A N THR 153.A O no hydrogen 3.054 N/A ASP 158.A N SER 154.A O no hydrogen 2.937 N/A VAL 159.A N LEU 155.A O no hydrogen 3.274 N/A VAL 159.A N GLY 156.A O no hydrogen 3.251 N/A SER 160.A N ILE 157.A O no hydrogen 2.997 N/A SER 160.A OG.A HIS 91.A ND1 no hydrogen 3.070 N/A SER 160.A OG.A HIS 91.A O no hydrogen 2.907 N/A SER 160.A OG.B ILE 157.A O no hydrogen 2.745 N/A ARG 161.A N ASP 158.A O no hydrogen 2.887 N/A ARG 161.A NE ASP 158.A OD1 no hydrogen 2.813 N/A ARG 161.A NH2 ASP 158.A OD1 no hydrogen 3.531 N/A ARG 161.A NH2 ASP 158.A OD2 no hydrogen 2.917 N/A TRP 162.A N ASP 158.A O no hydrogen 3.303 N/A PHE 163.A N VAL 159.A O no hydrogen 2.865 N/A SER 165.A N TYR 168.A O no hydrogen 2.850 N/A THR 167.A N SER 165.A OG no hydrogen 3.274 N/A TYR 168.A N SER 165.A OG no hydrogen 3.109 N/A ARG 172.A N ASP 170.A OD1 no hydrogen 2.986 N/A ILE 173.A N ASP 170.A O no hydrogen 3.017 N/A ILE 174.A N ASP 170.A O no hydrogen 3.351 N/A ALA 175.A N PRO 171.A O no hydrogen 2.975 N/A ALA 176.A N ARG 172.A O no hydrogen 2.951 N/A ARG 177.A N ILE 173.A O no hydrogen 2.938 N/A ARG 177.A NE GLU 180.A OE1 no hydrogen 2.993 N/A ARG 177.A NH2 GLU 180.A OE2 no hydrogen 2.910 N/A TYR 178.A N ILE 174.A O no hydrogen 2.906 N/A VAL 179.A N ALA 175.A O no hydrogen 2.807 N/A GLU 180.A N ALA 176.A O no hydrogen 3.185 N/A LEU 181.A N ARG 177.A O no hydrogen 3.232 N/A ALA 182.A N TYR 178.A O no hydrogen 2.934 N/A LEU 183.A N VAL 179.A O no hydrogen 3.001 N/A ARG 184.A N GLU 180.A O no hydrogen 3.094 N/A ARG 184.A NE ASP 190.A O no hydrogen 2.943 N/A ARG 184.A NH2 ASP 190.A O no hydrogen 3.383 N/A MET 185.A N LEU 181.A O no hydrogen 2.831 N/A VAL 186.A N ALA 182.A O no hydrogen 3.246 N/A GLY 187.A N ARG 184.A O no hydrogen 3.102 N/A CYS 188.A N LEU 183.A O no hydrogen 2.964 N/A CYS 188.A SG ASP 139.A O no hydrogen 3.845 N/A