Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 23.A O no hydrogen 3.075 N/A TYR 4.A N THR 34.A OG1 no hydrogen 2.868 N/A ILE 5.A N SER 25.A O no hydrogen 2.821 N/A THR 6.A N HIS 35.A O no hydrogen 3.004 N/A THR 6.A OG1 THR 27.A O no hydrogen 2.932 N/A THR 8.A N ILE 37.A O no hydrogen 2.894 N/A THR 8.A OG1 THR 44.A OG1 no hydrogen 2.679 N/A ASP 17.A N SER 15.A OG no hydrogen 3.162 N/A LEU 19.A N ILE 16.A O no hydrogen 2.891 N/A LYS 20.A N ASP 17.A O no hydrogen 3.097 N/A LEU 22.A N LEU 19.A O no hydrogen 2.871 N/A ASP 23.A N LYS 20.A O no hydrogen 2.895 N/A SER 25.A N VAL 3.A O no hydrogen 2.964 N/A THR 27.A N ILE 5.A O no hydrogen 2.815 N/A THR 27.A OG1 ASN 29.A O no hydrogen 3.536 N/A ASN 29.A N THR 27.A OG1 no hydrogen 3.024 N/A SER 31.A N ASN 29.A OD1 no hydrogen 2.956 N/A SER 31.A OG ASN 29.A OD1 no hydrogen 2.753 N/A LYS 32.A N ASN 29.A O no hydrogen 2.898 N/A LYS 32.A NZ TYR 4.A OH no hydrogen 3.163 N/A CYS 33.A N PRO 30.A O no hydrogen 3.265 N/A CYS 33.A SG TYR 4.A O no hydrogen 4.026 N/A CYS 33.A SG THR 6.A OG1 no hydrogen 3.645 N/A CYS 33.A SG HIS 35.A O no hydrogen 3.371 N/A THR 34.A N TYR 4.A O no hydrogen 2.847 N/A THR 34.A OG1 TYR 4.A O no hydrogen 3.250 N/A THR 34.A OG1 HIS 35.A ND1 no hydrogen 2.768 N/A HIS 35.A N TYR 4.A O no hydrogen 3.154 N/A HIS 35.A ND1 THR 34.A OG1 no hydrogen 2.768 N/A HIS 35.A NE2 GLU 75.A OE2 no hydrogen 2.733 N/A LEU 36.A N CYS 56.A O no hydrogen 2.935 N/A ILE 37.A N THR 6.A O no hydrogen 2.804 N/A ALA 38.A N VAL 58.A O no hydrogen 2.928 N/A ILE 41.A N ASP 82.A OD2 no hydrogen 2.810 N/A ARG 43.A NH1 ASP 189.A OD1 no hydrogen 3.322 N/A ARG 43.A NH2 ASP 189.A OD1 no hydrogen 3.027 N/A THR 44.A OG1 THR 8.A OG1 no hydrogen 2.679 N/A LYS 46.A NZ PHE 7.A O no hydrogen 2.803 N/A PHE 47.A N THR 44.A OG1 no hydrogen 3.137 N/A LEU 48.A N THR 44.A O no hydrogen 2.985 N/A CYS 49.A N SER 45.A O no hydrogen 2.820 N/A CYS 49.A SG SER 134.A OG no hydrogen 3.632 N/A SER 50.A N LYS 46.A O no hydrogen 2.982 N/A SER 50.A N PHE 47.A O no hydrogen 3.245 N/A SER 50.A OG LYS 46.A O no hydrogen 2.676 N/A ILE 51.A N PHE 47.A O no hydrogen 2.963 N/A TYR 53.A N SER 50.A O no hydrogen 2.886 N/A GLY 54.A N ILE 51.A O no hydrogen 2.902 N/A CYS 56.A N THR 34.A O no hydrogen 2.842 N/A VAL 58.A N LEU 36.A O no hydrogen 2.922 N/A THR 59.A N TYR 78.A O no hydrogen 3.100 N/A MET 60.A N TYR 10.A OH no hydrogen 2.919 N/A ASP 61.A N THR 59.A OG1 no hydrogen 3.283 N/A TRP 62.A N THR 59.A O no hydrogen 2.971 N/A TRP 62.A NE1 VAL 73.A O no hydrogen 2.820 N/A ASN 64.A N MET 60.A O no hydrogen 2.940 N/A SER 65.A N ASP 61.A O no hydrogen 2.940 N/A SER 65.A OG ASP 61.A O no hydrogen 3.184 N/A SER 65.A OG TYR 78.A OH no hydrogen 2.790 N/A CYS 66.A N TRP 62.A O no hydrogen 2.938 N/A CYS 66.A SG TRP 62.A O no hydrogen 3.453 N/A LEU 67.A N ILE 63.A O no hydrogen 2.875 N/A LYS 68.A N ASN 64.A O no hydrogen 2.878 N/A THR 69.A N SER 65.A O no hydrogen 2.884 N/A THR 69.A OG1 SER 65.A O no hydrogen 2.834 N/A THR 69.A OG1 CYS 66.A O no hydrogen 3.565 N/A HIS 70.A N CYS 66.A O no hydrogen 2.858 N/A GLU 71.A N CYS 66.A O no hydrogen 3.359 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 2.761 N/A GLU 76.A N ASP 74.A OD2 no hydrogen 3.078 N/A TYR 78.A N GLU 75.A O no hydrogen 2.864 N/A LEU 79.A N GLU 76.A O no hydrogen 3.474 N/A LEU 80.A N VAL 57.A O no hydrogen 2.909 N/A LYS 85.A N ASP 82.A OD1 no hydrogen 3.112 N/A GLU 86.A N ASP 82.A O no hydrogen 3.029 N/A LEU 87.A N PRO 83.A O no hydrogen 2.920 N/A GLU 88.A N GLU 84.A O no hydrogen 3.185 N/A LEU 89.A N LYS 85.A O no hydrogen 2.802 N/A GLY 90.A N GLU 86.A O no hydrogen 2.872 N/A CYS 91.A SG THR 92.A O no hydrogen 3.867 N/A LEU 93.A N GLU 86.A OE2 no hydrogen 2.832 N/A SER 95.A N THR 92.A OG1 no hydrogen 2.921 N/A SER 95.A OG THR 92.A O no hydrogen 2.766 N/A SER 95.A OG THR 92.A OG1 no hydrogen 3.376 N/A ALA 96.A N THR 92.A O no hydrogen 3.194 N/A LEU 97.A N LEU 93.A O no hydrogen 2.884 N/A LYS 98.A N GLU 94.A O no hydrogen 2.818 N/A ARG 99.A N SER 95.A O no hydrogen 3.005 N/A ARG 99.A NE ARG 197.A O no hydrogen 2.915 N/A ARG 99.A NH2 SER 95.A OG no hydrogen 3.021 N/A ARG 99.A NH2 ARG 197.A O no hydrogen 2.865 N/A ALA 100.A N ALA 96.A O no hydrogen 2.917 N/A ARG 101.A N LEU 97.A O no hydrogen 2.841 N/A ARG 101.A NE GLY 54.A O no hydrogen 2.920 N/A ARG 101.A NH1 GLU 94.A OE2 no hydrogen 3.153 N/A ARG 101.A NH2 GLY 54.A O no hydrogen 3.539 N/A ARG 101.A NH2 PRO 55.A O no hydrogen 2.886 N/A ALA 102.A N LYS 98.A O no hydrogen 2.993 N/A GLN 103.A N ARG 99.A O no hydrogen 2.773 N/A GLN 103.A NE2 GLN 198.A O no hydrogen 3.011 N/A GLY 104.A N ALA 100.A O no hydrogen 2.821 N/A SER 106.A N GLY 104.A O no hydrogen 2.736 N/A SER 106.A OG GLN 103.A O no hydrogen 2.675 N/A SER 106.A OG GLY 104.A O no hydrogen 3.501 N/A LEU 108.A N ASN 135.A O no hydrogen 2.881 N/A GLU 109.A N SER 106.A O no hydrogen 2.970 N/A TYR 111.A N LEU 108.A O no hydrogen 3.241 N/A VAL 112.A N ASN 157.A O no hydrogen 3.055 N/A VAL 113.A N VAL 138.A O no hydrogen 3.255 N/A TYR 114.A N VAL 159.A O no hydrogen 2.869 N/A LEU 115.A N SER 140.A O no hydrogen 2.875 N/A THR 116.A N ILE 161.A O no hydrogen 2.994 N/A THR 116.A OG1 THR 119.A OG1 no hydrogen 2.950 N/A THR 116.A OG1 THR 162.A OG1 no hydrogen 2.689 N/A THR 116.A OG1 ASP 166.A OD2 no hydrogen 2.553 N/A SER 117.A N LEU 142.A O no hydrogen 2.966 N/A LYS 118.A N ASP 166.A OD2 no hydrogen 2.854 N/A THR 119.A N THR 116.A O no hydrogen 3.127 N/A THR 119.A OG1 THR 116.A O no hydrogen 2.966 N/A THR 119.A OG1 THR 116.A OG1 no hydrogen 2.950 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.706 N/A ASN 124.A N ALA 121.A O no hydrogen 2.934 N/A VAL 125.A N PRO 122.A O no hydrogen 3.085 N/A VAL 128.A N ASN 124.A O no hydrogen 3.143 N/A ILE 129.A N VAL 125.A O no hydrogen 2.913 N/A SER 130.A N PRO 126.A O no hydrogen 2.904 N/A ILE 131.A N ALA 127.A O no hydrogen 2.966 N/A VAL 132.A N VAL 128.A O no hydrogen 2.987 N/A LYS 133.A N ILE 129.A O no hydrogen 2.939 N/A SER 134.A N SER 130.A O no hydrogen 2.897 N/A SER 134.A OG SER 130.A O no hydrogen 3.550 N/A ASN 135.A N ILE 131.A O no hydrogen 2.998 N/A ASN 135.A ND2 LEU 48.A O no hydrogen 3.066 N/A ASN 135.A ND2 ILE 131.A O no hydrogen 2.910 N/A GLY 136.A N LYS 133.A O no hydrogen 2.942 N/A GLY 137.A N VAL 132.A O no hydrogen 2.968 N/A SER 140.A N VAL 113.A O no hydrogen 3.009 N/A LEU 142.A N LEU 115.A O no hydrogen 3.084 N/A LEU 149.A N ASN 146.A OD1 no hydrogen 2.824 N/A ALA 150.A N ASN 146.A O no hydrogen 3.019 N/A ARG 151.A N LYS 147.A O no hydrogen 2.814 N/A HIS 152.A N ARG 148.A O no hydrogen 3.023 N/A LEU 153.A N LEU 149.A O no hydrogen 2.873 N/A GLU 154.A N ALA 150.A O no hydrogen 3.022 N/A ASP 155.A N ARG 151.A O no hydrogen 3.102 N/A GLY 156.A N HIS 152.A O no hydrogen 2.773 N/A ASN 157.A N THR 182.A OG1 no hydrogen 2.899 N/A ASN 157.A ND2 ASP 110.A O no hydrogen 2.917 N/A VAL 158.A N THR 182.A O no hydrogen 3.196 N/A VAL 159.A N VAL 112.A O no hydrogen 2.799 N/A LEU 160.A N PHE 184.A O no hydrogen 2.833 N/A ILE 161.A N TYR 114.A O no hydrogen 2.845 N/A THR 162.A N GLN 186.A O no hydrogen 2.807 N/A THR 162.A OG1 THR 116.A OG1 no hydrogen 2.689 N/A CYS 163.A N THR 162.A OG1 no hydrogen 2.776 N/A CYS 163.A SG THR 119.A OG1 no hydrogen 3.664 N/A CYS 163.A SG GLU 165.A OE1 no hydrogen 3.368 N/A CYS 163.A SG ASP 166.A OD2 no hydrogen 3.721 N/A ASN 164.A ND2 GLU 209.A O no hydrogen 3.263 N/A GLU 165.A N GLU 165.A OE1 no hydrogen 2.814 N/A ASP 166.A N CYS 163.A O no hydrogen 3.069 N/A SER 167.A N ASN 164.A O no hydrogen 2.975 N/A SER 167.A OG ASN 164.A O no hydrogen 3.247 N/A ILE 169.A N ASP 166.A O no hydrogen 2.946 N/A TRP 170.A NE1 CYS 163.A O no hydrogen 3.058 N/A THR 171.A N SER 167.A O no hydrogen 2.908 N/A THR 171.A OG1 SER 167.A O no hydrogen 2.672 N/A ASN 172.A N ILE 169.A O no hydrogen 3.416 N/A ASN 172.A ND2 ILE 169.A O no hydrogen 2.897 N/A PHE 173.A N TRP 170.A O no hydrogen 3.080 N/A ALA 177.A N PHE 173.A O no hydrogen 2.864 N/A SER 178.A N LEU 174.A O no hydrogen 2.938 N/A SER 178.A OG LEU 174.A O no hydrogen 2.774 N/A GLN 179.A N ASN 176.A O no hydrogen 3.139 N/A ASN 180.A N ALA 177.A O no hydrogen 2.919 N/A THR 182.A N ASN 180.A OD1 no hydrogen 2.879 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.826 N/A ILE 183.A N ASN 180.A O no hydrogen 3.154 N/A PHE 184.A N VAL 158.A O no hydrogen 2.865 N/A LEU 185.A N ARG 205.A O no hydrogen 2.866 N/A GLN 186.A N LEU 160.A O no hydrogen 2.850 N/A GLN 186.A NE2 ASP 204.A O no hydrogen 2.945 N/A ASN 187.A N GLN 186.A OE1 no hydrogen 3.152 N/A ASN 187.A ND2 GLU 209.A OE2 no hydrogen 2.741 N/A TRP 190.A N ASN 187.A OD1 no hydrogen 2.944 N/A LEU 191.A N ASN 187.A O no hydrogen 3.401 N/A ILE 192.A N TYR 188.A O no hydrogen 3.182 N/A LYS 193.A N ASP 189.A O no hydrogen 2.959 N/A LYS 193.A NZ GLU 88.A OE2 no hydrogen 3.034 N/A THR 194.A N TRP 190.A O no hydrogen 2.888 N/A THR 194.A OG1 TRP 190.A O no hydrogen 2.723 N/A VAL 195.A N LEU 191.A O no hydrogen 3.044 N/A LEU 196.A N ILE 192.A O no hydrogen 2.923 N/A ARG 197.A N LYS 193.A O no hydrogen 2.862 N/A ARG 197.A NE LEU 89.A O no hydrogen 2.766 N/A ARG 197.A NH2 LEU 89.A O no hydrogen 3.474 N/A GLN 198.A N VAL 195.A O no hydrogen 3.099 N/A GLN 198.A NE2 ASN 135.A OD1 no hydrogen 2.910 N/A GLN 198.A NE2 VAL 195.A O no hydrogen 2.871 N/A GLU 199.A N THR 194.A O no hydrogen 3.425 N/A ASN 203.A N ASP 201.A OD1 no hydrogen 2.926 N/A ASP 204.A N ASP 201.A O no hydrogen 2.955 N/A ARG 205.A NH1 ALA 177.A O no hydrogen 3.112 N/A ARG 205.A NH1 ILE 183.A O no hydrogen 2.832 N/A ARG 205.A NH2 SER 178.A O no hydrogen 2.612 N/A ALA 207.A N LEU 185.A O no hydrogen 2.982 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.731 N/A PHE 210.A N ALA 207.A O no hydrogen 2.958 N/A ALA 211.A N ASP 208.A O no hydrogen 3.154 N/A ARG 212.A NE ASP 175.A OD1 no hydrogen 2.833 N/A ARG 212.A NE ASP 175.A OD2 no hydrogen 3.470 N/A ARG 212.A NH2 THR 171.A O no hydrogen 3.177 N/A ARG 212.A NH2 ASP 175.A OD2 no hydrogen 3.237 N/A