Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 82.A OD2 no hydrogen 2.760 N/A LYS 4.A NZ ASP 80.A OD1 no hydrogen 2.763 N/A LYS 4.A NZ ASP 80.A OD2 no hydrogen 2.963 N/A VAL 5.A N ASN 52.A O no hydrogen 2.842 N/A ALA 6.A N LEU 83.A O no hydrogen 3.108 N/A LEU 7.A N ILE 54.A O no hydrogen 2.862 N/A ALA 8.A N ILE 85.A O no hydrogen 2.915 N/A CYS 10.A SG THR 59.A O no hydrogen 3.649 N/A LYS 15.A NZ ASP 55.A OD1 no hydrogen 2.640 N/A LYS 15.A NZ LEU 56.A O no hydrogen 2.826 N/A LEU 18.A N GLY 14.A O no hydrogen 3.039 N/A PHE 19.A N LYS 15.A O no hydrogen 2.810 N/A ASN 20.A N THR 16.A O no hydrogen 2.847 N/A ALA 21.A N SER 17.A O no hydrogen 2.868 N/A LEU 22.A N LEU 18.A O no hydrogen 2.973 N/A THR 23.A N PHE 19.A O no hydrogen 2.920 N/A THR 23.A OG1 PHE 19.A O no hydrogen 2.831 N/A THR 23.A OG1 GLN 27.A OE1 no hydrogen 3.409 N/A GLY 24.A N ASN 20.A O no hydrogen 2.810 N/A LYS 26.A N THR 23.A O no hydrogen 2.998 N/A LYS 26.A NZ THR 25.A OG1 no hydrogen 2.885 N/A GLN 27.A N THR 25.A O no hydrogen 3.008 N/A TYR 28.A N GLU 41.A O no hydrogen 2.841 N/A ALA 30.A N LYS 39.A O no hydrogen 2.876 N/A ASN 31.A ND2 TRP 32.A O no hydrogen 2.841 N/A ASN 31.A ND2 VAL 35.A O no hydrogen 2.854 N/A TRP 32.A N VAL 37.A O no hydrogen 2.878 N/A VAL 35.A N TRP 32.A O no hydrogen 3.131 N/A LYS 39.A N ALA 30.A O no hydrogen 2.812 N/A LYS 39.A NZ GLU 41.A OE2 no hydrogen 2.688 N/A GLU 41.A N TYR 28.A O no hydrogen 2.996 N/A GLY 42.A N LEU 53.A O no hydrogen 2.825 N/A VAL 43.A N LYS 26.A O no hydrogen 3.013 N/A PHE 44.A N ILE 51.A O no hydrogen 3.016 N/A THR 45.A OG1.B TYR 49.A O no hydrogen 3.093 N/A TYR 46.A N TYR 49.A O no hydrogen 2.873 N/A TYR 46.A OH GLU 153.A OE1 no hydrogen 2.659 N/A LYS 47.A NZ GLU 153.A OE1 no hydrogen 2.800 N/A TYR 49.A N TYR 46.A O no hydrogen 2.917 N/A THR 50.A N HIS 2.A O no hydrogen 2.703 N/A ILE 51.A N PHE 44.A O no hydrogen 2.778 N/A ASN 52.A N VAL 3.A O no hydrogen 2.864 N/A ASN 52.A ND2 GLU 41.A OE1 no hydrogen 3.512 N/A LEU 53.A N GLY 42.A O no hydrogen 2.733 N/A ILE 54.A N VAL 5.A O no hydrogen 2.891 N/A ASP 55.A N LYS 40.A O no hydrogen 3.042 N/A LEU 56.A N LEU 7.A O no hydrogen 2.955 N/A THR 59.A N GLY 9.A O no hydrogen 2.921 N/A LEU 62.A N GLU 102.A OE1 no hydrogen 3.326 N/A LEU 62.A N GLU 102.A OE2 no hydrogen 3.261 N/A GLY 63.A N GLU 69.A OE1 no hydrogen 2.884 N/A TYR 64.A OH ASP 74.A OD1 no hydrogen 2.829 N/A TYR 64.A OH ASP 74.A OD2 no hydrogen 3.105 N/A GLU 69.A N SER 66.A OG.B no hydrogen 3.369 N/A LYS 70.A N SER 66.A O no hydrogen 2.996 N/A ILE 71.A N ILE 67.A O no hydrogen 2.857 N/A ALA 72.A N ASP 68.A O no hydrogen 3.069 N/A ARG 73.A N GLU 69.A O no hydrogen 2.862 N/A ARG 73.A NH1 LEU 62.A O no hydrogen 3.067 N/A ARG 73.A NH1 ASP 206.A OD1 no hydrogen 2.749 N/A ARG 73.A NH1 ASP 206.A OD2 no hydrogen 3.485 N/A ARG 73.A NH2 ASP 206.A OD2 no hydrogen 2.871 N/A ARG 73.A NH2 GLU 208.A OE1 no hydrogen 2.825 N/A ASP 74.A N LYS 70.A O no hydrogen 2.861 N/A TYR 75.A N ILE 71.A O no hydrogen 3.081 N/A TYR 75.A OH ASP 80.A OD1 no hydrogen 2.819 N/A LEU 76.A N ALA 72.A O no hydrogen 2.977 N/A LEU 77.A N ARG 73.A O no hydrogen 2.847 N/A LYS 78.A N ASP 74.A O no hydrogen 2.714 N/A LYS 78.A NZ ASP 74.A OD1 no hydrogen 2.957 N/A LYS 78.A NZ GLU 208.A OE2 no hydrogen 2.777 N/A GLY 79.A N TYR 75.A O no hydrogen 2.751 N/A ASP 82.A N LYS 4.A O no hydrogen 2.732 N/A LEU 83.A N LYS 4.A O no hydrogen 3.402 N/A VAL 84.A N LYS 108.A O no hydrogen 2.829 N/A ILE 85.A N ALA 6.A O no hydrogen 2.802 N/A LEU 86.A N ILE 110.A O no hydrogen 2.952 N/A VAL 87.A N ALA 8.A O no hydrogen 2.816 N/A ALA 88.A N ALA 112.A O no hydrogen 2.879 N/A SER 90.A N THR 113.A O no hydrogen 3.121 N/A SER 90.A OG.A THR 113.A O no hydrogen 2.685 N/A SER 90.A OG.B THR 113.A O no hydrogen 2.778 N/A VAL 91.A N ASP 89.A OD1 no hydrogen 3.182 N/A ASN 92.A N ASP 89.A O no hydrogen 3.082 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.797 N/A GLN 95.A NE2 TYR 60.A O no hydrogen 2.801 N/A LEU 97.A N PRO 93.A O no hydrogen 2.962 N/A TYR 98.A N GLU 94.A O no hydrogen 3.083 N/A LEU 99.A N GLN 95.A O no hydrogen 3.005 N/A LEU 100.A N SER 96.A O no hydrogen 2.876 N/A LEU 101.A N LEU 97.A O no hydrogen 3.049 N/A GLU 102.A N TYR 98.A O no hydrogen 3.318 N/A ILE 103.A N LEU 99.A O no hydrogen 3.195 N/A LEU 104.A N LEU 100.A O no hydrogen 2.859 N/A GLU 105.A N LEU 101.A O no hydrogen 3.181 N/A LYS 108.A NZ TYR 158.A O no hydrogen 3.246 N/A LYS 108.A NZ LYS 161.A O no hydrogen 2.702 N/A ILE 110.A N VAL 84.A O no hydrogen 2.880 N/A LEU 111.A N PRO 136.A O no hydrogen 2.940 N/A ALA 112.A N LEU 86.A O no hydrogen 2.974 N/A THR 113.A N SER 90.A OG.A no hydrogen 3.344 N/A THR 113.A OG1 THR 140.A O no hydrogen 3.481 N/A THR 113.A OG1 THR 140.A OG1 no hydrogen 2.931 N/A ILE 115.A N THR 140.A O no hydrogen 3.067 N/A GLU 117.A N ALA 114.A O no hydrogen 2.989 N/A ALA 118.A N ALA 114.A O no hydrogen 3.076 N/A LYS 119.A N ILE 115.A O no hydrogen 3.060 N/A LYS 119.A NZ GLU 146.A OE1 no hydrogen 2.798 N/A THR 121.A N ALA 118.A O no hydrogen 3.117 N/A THR 121.A OG1 ALA 118.A O no hydrogen 2.669 N/A GLY 122.A N LYS 119.A O no hydrogen 2.793 N/A ASP 125.A N ALA 248.A O no hydrogen 2.810 N/A ARG 126.A NH2 VAL 137.A O no hydrogen 3.167 N/A GLU 128.A N ASP 125.A OD1 no hydrogen 3.279 N/A LEU 129.A N ASP 125.A O no hydrogen 3.189 N/A GLN 130.A N ARG 126.A O no hydrogen 2.981 N/A LYS 131.A N TYR 127.A O no hydrogen 2.871 N/A LYS 131.A NZ GLU 128.A OE1 no hydrogen 3.318 N/A LYS 131.A NZ GLU 128.A OE2 no hydrogen 3.027 N/A HIS 132.A N GLU 128.A O no hydrogen 2.960 N/A HIS 132.A ND1 GLU 128.A O no hydrogen 2.816 N/A LEU 133.A N LEU 129.A O no hydrogen 2.928 N/A GLY 134.A N GLN 130.A O no hydrogen 2.826 N/A VAL 137.A N GLN 130.A OE1 no hydrogen 2.988 N/A VAL 138.A N LEU 111.A O no hydrogen 2.901 N/A THR 140.A OG1 THR 113.A OG1 no hydrogen 2.931 N/A SER 141.A N GLU 146.A O no hydrogen 2.868 N/A SER 141.A OG ASP 116.A OD1 no hydrogen 2.659 N/A SER 141.A OG THR 144.A OG1 no hydrogen 3.313 N/A VAL 143.A N SER 141.A OG no hydrogen 3.131 N/A THR 144.A N SER 141.A OG no hydrogen 3.096 N/A GLY 145.A N SER 141.A O no hydrogen 2.962 N/A GLU 146.A N THR 144.A OG1 no hydrogen 3.158 N/A LEU 148.A N GLY 145.A O no hydrogen 3.208 N/A LEU 151.A N GLY 147.A O no hydrogen 2.809 N/A LYS 152.A N LEU 148.A O no hydrogen 3.097 N/A LYS 152.A NZ GLU 149.A OE2 no hydrogen 2.880 N/A GLU 153.A N GLU 149.A O no hydrogen 2.939 N/A LYS 154.A N GLU 150.A O no hydrogen 2.954 N/A LYS 154.A NZ VAL 137.A O no hydrogen 3.010 N/A ILE 155.A N LEU 151.A O no hydrogen 2.839 N/A VAL 156.A N LYS 152.A O no hydrogen 3.158 N/A GLU 157.A N GLU 153.A O no hydrogen 2.894 N/A TYR 158.A N LYS 154.A O no hydrogen 2.822 N/A ALA 159.A N ILE 155.A O no hydrogen 2.969 N/A LYS 161.A N TYR 158.A O no hydrogen 3.129 N/A LYS 161.A NZ GLU 157.A OE2 no hydrogen 3.086 N/A THR 163.A OG1 ILE 164.A O no hydrogen 3.322 N/A LEU 165.A N TYR 158.A OH no hydrogen 2.763 N/A HIS 166.A NE2 LEU 104.A O no hydrogen 3.076 N/A TYR 171.A N GLU 176.A OE2 no hydrogen 2.852 N/A TYR 171.A OH GLU 105.A OE1 no hydrogen 2.509 N/A GLY 172.A N ASP 170.A OD1 no hydrogen 2.996 N/A GLU 176.A N GLY 172.A O no hydrogen 2.892 N/A SER 177.A N GLU 173.A O no hydrogen 2.889 N/A SER 177.A OG.A GLU 173.A O no hydrogen 2.782 N/A GLU 178.A N LYS 174.A O no hydrogen 3.335 N/A ILE 179.A N VAL 175.A O no hydrogen 2.928 N/A LYS 180.A N GLU 176.A O no hydrogen 3.026 N/A LYS 181.A N SER 177.A O no hydrogen 3.089 N/A LYS 181.A NZ GLU 178.A OE2 no hydrogen 2.813 N/A VAL 182.A N GLU 178.A O no hydrogen 2.906 N/A GLU 183.A N ILE 179.A O no hydrogen 2.854 N/A ASN 184.A N LYS 180.A O no hydrogen 2.927 N/A PHE 185.A N LYS 181.A O no hydrogen 3.030 N/A LEU 186.A N VAL 182.A O no hydrogen 3.038 N/A LEU 186.A N GLU 183.A O no hydrogen 3.091 N/A ARG 187.A N ASN 184.A O no hydrogen 3.362 N/A LYS 189.A N LEU 186.A O no hydrogen 2.839 N/A LYS 189.A NZ LEU 216.A O no hydrogen 3.440 N/A ASN 194.A ND2 GLU 105.A O no hydrogen 3.061 N/A ARG 196.A NH1 GLU 176.A OE2 no hydrogen 3.013 N/A ARG 196.A NH2 GLU 176.A OE1 no hydrogen 2.985 N/A TYR 197.A N ASN 194.A OD1 no hydrogen 2.923 N/A PHE 198.A N ASN 194.A O no hydrogen 3.173 N/A ALA 199.A N PRO 195.A O no hydrogen 2.796 N/A LEU 200.A N ARG 196.A O no hydrogen 2.955 N/A LYS 201.A N TYR 197.A O no hydrogen 3.103 N/A TYR 202.A N PHE 198.A O no hydrogen 2.934 N/A TYR 202.A OH PRO 219.A O no hydrogen 2.618 N/A LEU 203.A N ALA 199.A O no hydrogen 2.891 N/A SER 204.A N LEU 200.A O no hydrogen 3.083 N/A SER 204.A OG.A LEU 200.A O no hydrogen 2.732 N/A SER 204.A OG.B LEU 200.A O no hydrogen 3.030 N/A SER 204.A OG.B LYS 201.A O no hydrogen 2.982 N/A GLY 205.A N TYR 202.A O no hydrogen 3.000 N/A ASP 206.A N LYS 201.A O no hydrogen 2.953 N/A GLU 208.A N ASP 206.A OD2 no hydrogen 3.011 N/A PHE 209.A N ASP 206.A OD2 no hydrogen 3.010 N/A TYR 210.A N ASP 206.A O no hydrogen 2.817 N/A SER 211.A OG PRO 207.A O no hydrogen 3.127 N/A GLU 212.A N GLU 208.A O no hydrogen 2.971 N/A GLY 213.A N PHE 209.A O no hydrogen 2.820 N/A VAL 214.A N TYR 210.A O no hydrogen 3.080 N/A LYS 215.A N SER 211.A O no hydrogen 3.070 N/A LEU 216.A N GLU 212.A O no hydrogen 2.912 N/A GLY 217.A N VAL 214.A O no hydrogen 2.954 N/A LEU 218.A N GLY 213.A O no hydrogen 2.988 N/A LEU 221.A N TYR 210.A OH no hydrogen 2.856 N/A GLU 224.A N GLU 224.A OE1 no hydrogen 2.688 N/A GLU 225.A N SER 222.A OG no hydrogen 3.039 N/A ARG 226.A N SER 222.A O no hydrogen 3.042 N/A ARG 226.A NE LEU 221.A O no hydrogen 2.909 N/A ARG 226.A NH2 LEU 221.A O no hydrogen 3.142 N/A ILE 227.A N GLU 223.A O no hydrogen 2.886 N/A GLY 228.A N GLU 224.A O no hydrogen 2.912 N/A TYR 229.A N GLU 225.A O no hydrogen 2.867 N/A ARG 230.A N ARG 226.A O no hydrogen 2.964 N/A ARG 230.A NH2 SER 204.A O no hydrogen 3.502 N/A LEU 231.A N ILE 227.A O no hydrogen 2.911 N/A LEU 232.A N GLY 228.A O no hydrogen 2.951 N/A ILE 233.A N TYR 229.A O no hydrogen 2.907 N/A ALA 234.A N ARG 230.A O no hydrogen 3.017 N/A LYS 235.A N LEU 231.A O no hydrogen 2.882 N/A ARG 236.A N LEU 232.A O no hydrogen 2.958 N/A ARG 236.A NE ASP 170.A O no hydrogen 2.805 N/A ARG 236.A NH1 ARG 236.A O no hydrogen 3.463 N/A LYS 237.A N ILE 233.A O no hydrogen 3.029 N/A LYS 237.A NZ GLU 105.A OE2 no hydrogen 2.763 N/A LYS 237.A NZ TYR 171.A OH no hydrogen 2.808 N/A ARG 238.A N ALA 234.A O no hydrogen 2.867 N/A GLU 239.A N LYS 235.A O no hydrogen 2.935 N/A TYR 240.A N ARG 236.A O no hydrogen 3.080 N/A TYR 240.A OH HIS 132.A O no hydrogen 2.642 N/A VAL 241.A N LYS 237.A O no hydrogen 2.972 N/A GLU 242.A N ARG 238.A O no hydrogen 2.952 N/A ASN 243.A N GLU 239.A O no hydrogen 3.068 N/A VAL 244.A N TYR 240.A O no hydrogen 2.895 N/A VAL 245.A N VAL 241.A O no hydrogen 2.939 N/A LYS 246.A N GLU 242.A O no hydrogen 3.017 N/A GLU 247.A N ASN 243.A O no hydrogen 2.957 N/A ALA 248.A N VAL 244.A O no hydrogen 2.845 N/A PHE 249.A N VAL 245.A O no hydrogen 2.947 N/A ALA 250.A N LYS 123.A O no hydrogen 2.951 N/A