Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s83_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 1.A N ASP 6.A OD1 no hydrogen 2.928 N/A ASP 6.A N ALA 2.A O no hydrogen 2.847 N/A LEU 7.A N LEU 3.A O no hydrogen 2.994 N/A ARG 8.A N GLU 4.A O no hydrogen 2.859 N/A ARG 8.A NE GLU 4.A OE2 no hydrogen 3.274 N/A ARG 8.A NH1 GLU 62.A OE2 no hydrogen 2.987 N/A ARG 8.A NH2 GLU 4.A OE2 no hydrogen 2.912 N/A GLY 9.A N ALA 5.A O no hydrogen 2.906 N/A ALA 10.A N ASP 6.A O no hydrogen 2.955 N/A ILE 11.A N LEU 7.A O no hydrogen 2.987 N/A GLY 12.A N ARG 8.A O no hydrogen 2.878 N/A ARG 13.A N GLY 9.A O no hydrogen 2.869 N/A ARG 13.A NH2 GLU 15.A OE2 no hydrogen 2.817 N/A GLY 14.A N ILE 11.A O no hydrogen 3.019 N/A GLU 15.A N ALA 10.A O no hydrogen 2.849 N/A ILE 16.A N ALA 10.A O no hydrogen 3.265 N/A THR 17.A N ARG 39.A O no hydrogen 2.880 N/A TYR 19.A N LEU 37.A O no hydrogen 2.880 N/A PHE 20.A N LEU 231.A O no hydrogen 2.819 N/A GLN 21.A N GLU 35.A O no hydrogen 2.849 N/A GLN 21.A NE2 ALA 228.A O no hydrogen 2.926 N/A ILE 23.A N GLY 33.A O no hydrogen 2.853 N/A VAL 24.A N GLY 222.A O no hydrogen 2.879 N/A ARG 25.A N ALA 30.A O no hydrogen 2.858 N/A ARG 25.A NE ASP 246.A OD1 no hydrogen 2.784 N/A ARG 25.A NE ASP 246.A OD2 no hydrogen 3.349 N/A ARG 25.A NH2 ASP 246.A OD2 no hydrogen 2.801 N/A LEU 26.A N ASP 220.A O no hydrogen 3.007 N/A THR 28.A N ARG 25.A O no hydrogen 3.387 N/A GLY 29.A N ARG 25.A O no hydrogen 2.755 N/A ALA 30.A N THR 28.A OG1 no hydrogen 3.058 N/A LEU 31.A N TYR 244.A O no hydrogen 2.848 N/A SER 32.A N ILE 23.A O no hydrogen 2.862 N/A GLY 33.A N ILE 23.A O no hydrogen 3.322 N/A PHE 34.A N THR 86.A O no hydrogen 2.916 N/A GLU 35.A N GLN 21.A O no hydrogen 2.847 N/A ALA 36.A N SER 88.A O.A no hydrogen 2.822 N/A ALA 36.A N SER 88.A O.B no hydrogen 2.752 N/A LEU 37.A N TYR 19.A O no hydrogen 2.820 N/A ARG 39.A N THR 17.A O no hydrogen 2.926 N/A ARG 39.A NH1 ALA 38.A O no hydrogen 2.850 N/A TRP 40.A N LEU 47.A O no hydrogen 2.940 N/A TRP 40.A NE1 GLU 15.A OE1 no hydrogen 2.940 N/A ILE 41.A N GLU 15.A O no hydrogen 2.840 N/A HIS 42.A N GLY 46.A O no hydrogen 3.040 N/A ARG 44.A N HIS 42.A ND1 no hydrogen 3.068 N/A ARG 45.A N HIS 42.A ND1 no hydrogen 3.030 N/A GLY 46.A N HIS 42.A O no hydrogen 3.148 N/A GLU 51.A N PRO 48.A O no hydrogen 2.874 N/A PHE 52.A N PRO 49.A O no hydrogen 3.113 N/A LEU 53.A N PRO 49.A O no hydrogen 2.807 N/A LEU 55.A N PHE 52.A O no hydrogen 3.037 N/A ILE 56.A N.B PHE 52.A O no hydrogen 3.513 N/A GLU 57.A N LEU 53.A O no hydrogen 2.888 N/A GLU 58.A N PRO 54.A O no hydrogen 2.881 N/A LEU 60.A N ILE 56.A O.A no hydrogen 3.006 N/A LEU 60.A N ILE 56.A O.B no hydrogen 2.934 N/A SER 61.A OG GLU 95.A OE1 no hydrogen 2.631 N/A GLU 62.A N GLU 62.A OE1 no hydrogen 2.750 N/A LEU 63.A N LEU 60.A O no hydrogen 3.027 N/A ALA 65.A N SER 61.A O no hydrogen 2.914 N/A HIS 66.A N GLU 62.A O no hydrogen 3.145 N/A HIS 67.A NE2 ASP 104.A OD1.B no hydrogen 2.834 N/A ALA 68.A N HIS 66.A O no hydrogen 2.978 N/A GLN 71.A N.A HIS 67.A O no hydrogen 2.961 N/A GLN 71.A N.B HIS 67.A O no hydrogen 2.968 N/A GLN 72.A N ALA 68.A O no hydrogen 3.019 N/A LEU 73.A N ALA 69.A O no hydrogen 3.043 N/A SER 74.A N.A ALA 70.A O no hydrogen 2.935 N/A SER 74.A N.B ALA 70.A O no hydrogen 2.976 N/A SER 74.A OG.A ASN 112.A O no hydrogen 2.926 N/A SER 74.A OG.B ALA 70.A O no hydrogen 3.248 N/A SER 74.A OG.B GLN 71.A O.A no hydrogen 2.826 N/A SER 74.A OG.B GLN 71.A O.B no hydrogen 3.034 N/A SER 74.A OG.B ASN 112.A OD1 no hydrogen 2.839 N/A THR 75.A N GLN 71.A O.A no hydrogen 2.961 N/A THR 75.A N GLN 71.A O.B no hydrogen 3.075 N/A THR 75.A OG1 GLN 71.A O.A no hydrogen 3.169 N/A THR 75.A OG1 GLN 71.A O.B no hydrogen 3.008 N/A TRP 76.A N GLN 72.A O no hydrogen 3.028 N/A ARG 77.A N LEU 73.A O no hydrogen 2.848 N/A ALA 78.A N SER 74.A O.A no hydrogen 2.961 N/A ALA 78.A N SER 74.A O.B no hydrogen 2.989 N/A ALA 79.A N THR 75.A O no hydrogen 3.111 N/A HIS 80.A N TRP 76.A O no hydrogen 3.101 N/A HIS 80.A N ARG 77.A O no hydrogen 3.226 N/A HIS 80.A ND1 TRP 76.A O no hydrogen 3.002 N/A ASN 84.A ND2 ARG 116.A O no hydrogen 3.104 N/A LEU 85.A N GLY 83.A O no hydrogen 2.846 N/A THR 86.A N SER 32.A O no hydrogen 3.139 N/A THR 86.A OG1 SER 32.A O no hydrogen 3.469 N/A VAL 87.A N.A ALA 118.A O no hydrogen 2.960 N/A VAL 87.A N.B ALA 118.A O no hydrogen 2.947 N/A SER 88.A N.A PHE 34.A O no hydrogen 2.875 N/A SER 88.A N.B PHE 34.A O no hydrogen 2.900 N/A SER 88.A OG.B PHE 34.A O no hydrogen 3.386 N/A VAL 89.A N LYS 120.A O.A no hydrogen 2.923 N/A VAL 89.A N LYS 120.A O.B no hydrogen 2.978 N/A LEU 91.A N GLU 122.A O.A no hydrogen 2.874 N/A LEU 91.A N GLU 122.A O.B no hydrogen 2.993 N/A THR 93.A OG1 ASP 127.A OD1 no hydrogen 2.710 N/A GLU 95.A N SER 92.A O.A no hydrogen 3.000 N/A GLU 95.A N SER 92.A O.B no hydrogen 2.946 N/A ASP 97.A N GLY 94.A O no hydrogen 3.109 N/A ARG 98.A N GLU 95.A O no hydrogen 2.974 N/A ARG 98.A NE GLU 95.A OE1 no hydrogen 2.842 N/A ARG 98.A NH1 ASP 104.A OD2.A no hydrogen 2.845 N/A ARG 98.A NH2 GLU 95.A OE2 no hydrogen 3.008 N/A ARG 98.A NH2 ASP 104.A OD2.A no hydrogen 2.952 N/A ARG 98.A NH2 ASP 104.A OD2.B no hydrogen 3.240 N/A LEU 101.A N ARG 98.A O no hydrogen 3.107 N/A ASP 104.A N.A GLY 100.A O no hydrogen 3.066 N/A ASP 104.A N.B GLY 100.A O no hydrogen 3.055 N/A VAL 105.A N LEU 101.A O no hydrogen 2.892 N/A ALA 106.A N VAL 102.A O no hydrogen 2.859 N/A GLU 107.A N ALA 103.A O no hydrogen 2.935 N/A THR 108.A N ASP 104.A O.A no hydrogen 2.857 N/A THR 108.A N ASP 104.A O.B no hydrogen 3.043 N/A THR 108.A OG1 ASP 104.A O.A no hydrogen 2.844 N/A THR 108.A OG1 ASP 104.A O.B no hydrogen 2.672 N/A THR 108.A OG1 ASP 104.A OD1.B no hydrogen 3.567 N/A LEU 109.A N VAL 105.A O no hydrogen 2.887 N/A ARG 110.A N ALA 106.A O no hydrogen 3.002 N/A ARG 110.A NH1 ALA 144.A O no hydrogen 2.743 N/A ARG 110.A NH2 LEU 114.A O no hydrogen 3.409 N/A VAL 111.A N.A GLU 107.A O no hydrogen 2.885 N/A VAL 111.A N.B GLU 107.A O no hydrogen 2.885 N/A ASN 112.A N THR 108.A O no hydrogen 3.307 N/A ASN 112.A ND2 THR 108.A O no hydrogen 2.889 N/A ARG 113.A N ARG 110.A O no hydrogen 3.041 N/A LEU 114.A N LEU 109.A O no hydrogen 2.945 N/A GLY 117.A N GLY 145.A O no hydrogen 2.921 N/A ALA 118.A N PRO 115.A O no hydrogen 3.033 N/A LYS 120.A N.A VAL 87.A O.A no hydrogen 2.943 N/A LYS 120.A N.A VAL 87.A O.B no hydrogen 2.796 N/A LYS 120.A N.B VAL 87.A O.A no hydrogen 2.935 N/A LYS 120.A N.B VAL 87.A O.B no hydrogen 2.793 N/A LYS 120.A NZ.A ASP 166.A OD1 no hydrogen 2.924 N/A LYS 120.A NZ.B ASP 166.A OD1 no hydrogen 2.725 N/A LYS 120.A NZ.B THR 167.A OG1 no hydrogen 3.281 N/A LEU 121.A N GLY 147.A O no hydrogen 2.896 N/A GLU 122.A N.A VAL 89.A O no hydrogen 2.909 N/A GLU 122.A N.B VAL 89.A O no hydrogen 2.932 N/A VAL 123.A N ALA 149.A O no hydrogen 2.861 N/A THR 124.A N ASP 127.A OD2 no hydrogen 3.417 N/A THR 124.A OG1 SER 126.A OG.A no hydrogen 3.255 N/A SER 126.A OG.A THR 124.A OG1 no hydrogen 3.255 N/A ASP 127.A N THR 124.A OG1 no hydrogen 3.165 N/A ILE 128.A N THR 124.A O no hydrogen 3.132 N/A ARG 129.A NH2 ASP 97.A OD2 no hydrogen 2.795 N/A ASP 130.A N ILE 128.A O no hydrogen 2.953 N/A ARG 133.A N ASP 130.A OD1 no hydrogen 3.086 N/A ARG 133.A NE ILE 96.A O no hydrogen 2.969 N/A ALA 134.A N ASP 130.A O no hydrogen 3.011 N/A ALA 135.A N PRO 131.A O no hydrogen 2.947 N/A VAL 136.A N GLU 132.A O no hydrogen 3.239 N/A ILE 137.A N ARG 133.A O no hydrogen 2.923 N/A LEU 138.A N ALA 134.A O no hydrogen 2.817 N/A LYS 139.A N ALA 135.A O no hydrogen 3.304 N/A THR 140.A N VAL 136.A O no hydrogen 3.047 N/A THR 140.A OG1 VAL 136.A O no hydrogen 2.981 N/A LEU 141.A N ILE 137.A O no hydrogen 2.793 N/A ARG 142.A N.A LEU 138.A O no hydrogen 3.091 N/A ARG 142.A N.B LEU 138.A O no hydrogen 3.068 N/A ARG 142.A NE.A PRO 164.A O no hydrogen 3.030 N/A ARG 142.A NH2.A PRO 164.A O no hydrogen 2.837 N/A ARG 142.A NH2.A ASP 166.A OD2 no hydrogen 2.737 N/A ASP 143.A N LYS 139.A O no hydrogen 3.044 N/A ALA 144.A N THR 140.A O no hydrogen 2.961 N/A GLY 145.A N ARG 142.A O.A no hydrogen 2.882 N/A GLY 145.A N ARG 142.A O.B no hydrogen 3.043 N/A ALA 146.A N LEU 141.A O no hydrogen 3.040 N/A GLY 147.A N LEU 119.A O no hydrogen 2.880 N/A LEU 148.A N ASP 166.A OD2 no hydrogen 2.899 N/A ALA 149.A N LEU 121.A O no hydrogen 2.891 N/A LEU 150.A N THR 167.A O no hydrogen 2.895 N/A ASP 151.A N VAL 123.A O no hydrogen 2.860 N/A PHE 153.A N LYS 169.A O no hydrogen 2.977 N/A SER 156.A OG GLU 125.A OE1 no hydrogen 3.111 N/A SER 158.A N.A PHE 154.A O no hydrogen 3.357 N/A SER 158.A N.B PHE 154.A O no hydrogen 3.366 N/A SER 158.A OG.A SER 155.A O no hydrogen 2.882 N/A TYR 159.A N SER 155.A O no hydrogen 2.983 N/A LEU 160.A N.A SER 156.A O no hydrogen 3.022 N/A LEU 160.A N.B SER 156.A O no hydrogen 3.043 N/A THR 161.A N SER 158.A O.A no hydrogen 3.094 N/A THR 161.A N SER 158.A O.B no hydrogen 3.131 N/A THR 161.A OG1 SER 158.A O.A no hydrogen 2.687 N/A THR 161.A OG1 SER 158.A O.B no hydrogen 2.700 N/A ARG 162.A N TYR 159.A O no hydrogen 3.123 N/A LEU 163.A N TYR 159.A O no hydrogen 2.894 N/A PHE 165.A N LEU 163.A O no hydrogen 2.868 N/A ASP 166.A N LEU 148.A O no hydrogen 2.933 N/A THR 167.A OG1 ASP 166.A OD1 no hydrogen 2.655 N/A LEU 168.A N GLU 200.A O no hydrogen 2.874 N/A LYS 169.A N LEU 150.A O no hydrogen 2.970 N/A LYS 169.A NZ GLU 122.A OE1.A no hydrogen 3.415 N/A LYS 169.A NZ GLU 122.A OE2.B no hydrogen 2.953 N/A LYS 169.A NZ GLU 204.A OE2 no hydrogen 3.035 N/A LYS 169.A NZ GLN 223.A OE1 no hydrogen 2.835 N/A ILE 170.A N VAL 202.A O no hydrogen 2.873 N/A TYR 173.A N ASP 171.A OD1 no hydrogen 2.946 N/A PHE 174.A N ASP 171.A O no hydrogen 3.050 N/A VAL 175.A N ASP 171.A O no hydrogen 3.424 N/A ARG 176.A N ARG 172.A O no hydrogen 2.875 N/A ARG 176.A NE GLY 205.A O no hydrogen 3.377 N/A THR 177.A N TYR 173.A O no hydrogen 3.103 N/A THR 177.A OG1 TYR 173.A O no hydrogen 2.709 N/A THR 177.A OG1 SER 183.A OG no hydrogen 2.669 N/A ASN 179.A N THR 177.A O no hydrogen 3.134 N/A GLY 182.A N ASN 180.A OD1 no hydrogen 3.071 N/A SER 183.A N ASN 180.A OD1 no hydrogen 3.246 N/A SER 183.A OG THR 177.A OG1 no hydrogen 2.669 N/A ALA 184.A N ASN 180.A O no hydrogen 3.039 N/A LYS 185.A N ALA 181.A O no hydrogen 2.891 N/A ILE 186.A N GLY 182.A O no hydrogen 3.070 N/A VAL 187.A N SER 183.A O no hydrogen 2.999 N/A ARG 188.A N ALA 184.A O no hydrogen 2.909 N/A SER 189.A N LYS 185.A O no hydrogen 2.944 N/A SER 189.A OG LYS 185.A O no hydrogen 2.790 N/A VAL 190.A N ILE 186.A O no hydrogen 3.000 N/A VAL 191.A N VAL 187.A O no hydrogen 3.010 N/A LYS 192.A N ARG 188.A O no hydrogen 2.864 N/A LYS 192.A NZ ASP 196.A OD2 no hydrogen 2.579 N/A LEU 193.A N SER 189.A O no hydrogen 3.056 N/A GLY 194.A N VAL 190.A O no hydrogen 3.038 N/A GLN 195.A N VAL 191.A O no hydrogen 3.042 N/A GLN 195.A NE2 LEU 217.A O no hydrogen 2.896 N/A ASP 196.A N LYS 192.A O no hydrogen 2.905 N/A LEU 197.A N.A LEU 193.A O no hydrogen 2.884 N/A LEU 197.A N.B LEU 193.A O no hydrogen 2.889 N/A LEU 199.A N.A GLY 194.A O no hydrogen 2.929 N/A LEU 199.A N.B GLY 194.A O no hydrogen 2.943 N/A GLU 200.A N ASP 166.A O no hydrogen 3.082 N/A VAL 201.A N ASP 220.A OD2 no hydrogen 2.938 N/A VAL 202.A N LEU 168.A O no hydrogen 2.903 N/A ALA 203.A N TYR 221.A O no hydrogen 2.901 N/A GLU 204.A N ILE 170.A O no hydrogen 3.132 N/A VAL 206.A N GLN 223.A O no hydrogen 2.896 N/A HIS 212.A N ALA 209.A O no hydrogen 2.836 N/A ALA 213.A N GLU 210.A O no hydrogen 3.034 N/A GLN 215.A N ALA 211.A O no hydrogen 2.856 N/A GLN 215.A NE2 LEU 26.A O no hydrogen 2.777 N/A SER 216.A N HIS 212.A O no hydrogen 2.963 N/A LEU 217.A N ALA 213.A O no hydrogen 3.360 N/A LEU 217.A N LEU 214.A O no hydrogen 3.174 N/A GLY 218.A N GLN 215.A O no hydrogen 2.979 N/A CYS 219.A N LEU 214.A O no hydrogen 3.104 N/A CYS 219.A SG VAL 201.A O no hydrogen 3.801 N/A CYS 219.A SG TYR 221.A O no hydrogen 3.573 N/A TYR 221.A N VAL 201.A O no hydrogen 2.963 N/A TYR 221.A OH GLU 200.A OE2 no hydrogen 2.689 N/A GLY 222.A N VAL 24.A O no hydrogen 2.878 N/A GLN 223.A N ALA 203.A O no hydrogen 2.970 N/A GLN 223.A NE2 GLN 21.A OE1 no hydrogen 2.979 N/A GLN 223.A NE2 GLU 35.A OE1 no hydrogen 2.918 N/A GLY 226.A N VAL 206.A O no hydrogen 2.896 N/A TYR 227.A N GLY 224.A O no hydrogen 2.911 N/A ALA 228.A N GLY 224.A O no hydrogen 3.006 N/A LEU 231.A N PHE 20.A O no hydrogen 2.872 N/A SER 232.A N GLU 235.A OE1 no hydrogen 2.931 N/A SER 232.A OG GLN 234.A OE1 no hydrogen 3.494 N/A GLU 235.A N SER 232.A OG no hydrogen 3.052 N/A ALA 236.A N SER 232.A O no hydrogen 2.790 N/A GLU 237.A N PRO 233.A O no hydrogen 2.977 N/A VAL 238.A N GLN 234.A O no hydrogen 3.226 N/A TYR 239.A N GLU 235.A O no hydrogen 2.974 N/A LEU 240.A N ALA 236.A O no hydrogen 2.848 N/A ASN 241.A N GLU 237.A O no hydrogen 2.972 N/A ASN 241.A ND2 GLU 237.A OE2 no hydrogen 3.340 N/A GLU 242.A N VAL 238.A O no hydrogen 3.122 N/A GLU 242.A N TYR 239.A O no hydrogen 3.265 N/A ALA 243.A N LEU 240.A O no hydrogen 3.063 N/A ASP 246.A N LEU 31.A O no hydrogen 2.794 N/A