Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2a1u_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A N ASP 115.A OD2 no hydrogen 2.821 N/A ARG 2.A NE GLU 57.A OE1 no hydrogen 2.697 N/A ARG 2.A NH1 GLU 112.A O no hydrogen 3.327 N/A ARG 2.A NH1 LYS 113.A O no hydrogen 2.959 N/A VAL 3.A N GLU 57.A O no hydrogen 2.972 N/A LEU 4.A N LEU 116.A O no hydrogen 3.039 N/A VAL 5.A N ILE 59.A O no hydrogen 2.839 N/A ALA 6.A N LEU 118.A O no hydrogen 3.058 N/A VAL 7.A N VAL 61.A O no hydrogen 2.796 N/A LYS 8.A NZ ASP 125.A OD1 no hydrogen 2.977 N/A LYS 8.A NZ ASP 125.A OD2 no hydrogen 3.457 N/A VAL 10.A N SER 34.A O no hydrogen 3.067 N/A ASP 12.A N LYS 32.A O no hydrogen 2.844 N/A ALA 14.A N ASP 12.A OD2 no hydrogen 3.239 N/A VAL 15.A N ASP 12.A O no hydrogen 3.131 N/A LYS 20.A N GLY 25.A O no hydrogen 2.952 N/A ARG 23.A N LYS 20.A O no hydrogen 3.034 N/A ARG 23.A NE GLU 225.A OE2 no hydrogen 3.170 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.759 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.746 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 3.295 N/A VAL 27.A N ARG 18.A O no hydrogen 2.751 N/A VAL 31.A N THR 28.A O no hydrogen 3.162 N/A HIS 33.A ND1 VAL 31.A O no hydrogen 2.815 N/A SER 34.A N VAL 10.A O no hydrogen 2.897 N/A SER 34.A OG ASP 12.A OD1 no hydrogen 2.709 N/A ASN 36.A N LYS 8.A O no hydrogen 2.873 N/A ASN 36.A ND2 GLN 122.A O no hydrogen 2.840 N/A CYS 39.A SG ALA 6.A O no hydrogen 3.822 N/A GLU 40.A N ASN 36.A O no hydrogen 3.122 N/A ILE 41.A N PRO 37.A O no hydrogen 3.213 N/A ALA 42.A N PHE 38.A O no hydrogen 3.104 N/A VAL 43.A N CYS 39.A O no hydrogen 2.865 N/A GLU 44.A N GLU 40.A O no hydrogen 2.966 N/A GLU 45.A N ILE 41.A O no hydrogen 3.025 N/A ALA 46.A N ALA 42.A O no hydrogen 3.111 N/A VAL 47.A N VAL 43.A O no hydrogen 3.003 N/A ARG 48.A N GLU 44.A O no hydrogen 2.908 N/A ARG 48.A NE GLU 44.A OE2 no hydrogen 2.785 N/A LEU 49.A N GLU 45.A O no hydrogen 2.973 N/A LYS 50.A N ALA 46.A O no hydrogen 3.086 N/A LYS 50.A NZ GLY 79.A O no hydrogen 3.205 N/A LYS 50.A NZ ASP 81.A OD1 no hydrogen 3.524 N/A GLU 51.A N VAL 47.A O no hydrogen 2.888 N/A LYS 52.A N ARG 48.A O no hydrogen 3.008 N/A LYS 53.A N LYS 50.A O no hydrogen 2.739 N/A LEU 54.A N LEU 49.A O no hydrogen 3.088 N/A LYS 56.A N LEU 1.A O no hydrogen 2.793 N/A VAL 58.A N ASP 81.A OD2 no hydrogen 2.691 N/A ILE 59.A N VAL 3.A O no hydrogen 2.775 N/A ALA 60.A N ARG 82.A O no hydrogen 2.953 N/A VAL 61.A N VAL 5.A O no hydrogen 2.835 N/A SER 62.A N ILE 84.A O no hydrogen 3.148 N/A SER 62.A OG VAL 7.A O no hydrogen 2.813 N/A GLY 64.A N VAL 86.A O no hydrogen 2.992 N/A CYS 68.A N PRO 65.A O no hydrogen 3.044 N/A CYS 68.A SG SER 62.A OG no hydrogen 3.573 N/A CYS 68.A SG PRO 65.A O no hydrogen 3.361 N/A GLN 69.A N ALA 66.A O no hydrogen 3.066 N/A GLU 70.A N GLN 67.A O no hydrogen 3.142 N/A THR 71.A OG1 CYS 68.A O no hydrogen 3.276 N/A ILE 72.A N CYS 68.A O no hydrogen 2.907 N/A ARG 73.A N GLN 69.A O no hydrogen 2.709 N/A ARG 73.A NH1 ALA 198.A O no hydrogen 2.843 N/A ARG 73.A NH1 LYS 201.A O no hydrogen 2.835 N/A THR 74.A N GLU 70.A O no hydrogen 2.891 N/A THR 74.A OG1 GLU 70.A O no hydrogen 2.969 N/A ALA 75.A N THR 71.A O no hydrogen 3.137 N/A LEU 76.A N ILE 72.A O no hydrogen 2.920 N/A ALA 77.A N ARG 73.A O no hydrogen 2.927 N/A MET 78.A N THR 74.A O no hydrogen 2.977 N/A GLY 79.A N ALA 75.A O no hydrogen 3.227 N/A GLY 79.A N LEU 76.A O no hydrogen 3.185 N/A ALA 80.A N ALA 75.A O no hydrogen 3.075 N/A ASP 81.A N VAL 58.A O no hydrogen 2.871 N/A ARG 82.A N VAL 58.A O no hydrogen 3.453 N/A ARG 82.A NE GLU 57.A OE2 no hydrogen 2.725 N/A ARG 82.A NH2 GLU 112.A OE1 no hydrogen 3.031 N/A GLY 83.A N LYS 202.A O no hydrogen 2.769 N/A ILE 84.A N ALA 60.A O no hydrogen 2.749 N/A HIS 85.A N GLU 204.A O no hydrogen 2.725 N/A HIS 85.A NE2 GLY 64.A O no hydrogen 2.745 N/A VAL 86.A N SER 62.A O no hydrogen 2.964 N/A GLU 87.A N ILE 206.A O no hydrogen 2.783 N/A VAL 88.A N GLY 64.A O no hydrogen 3.118 N/A GLU 92.A N PRO 89.A O no hydrogen 2.967 N/A ALA 93.A N PRO 89.A O no hydrogen 2.869 N/A ALA 93.A N PRO 90.A O no hydrogen 3.155 N/A GLU 94.A N PRO 90.A O no hydrogen 3.357 N/A ARG 95.A N GLU 92.A O no hydrogen 3.206 N/A ARG 95.A NE ALA 91.A O no hydrogen 3.583 N/A LEU 96.A N ALA 93.A O no hydrogen 3.229 N/A GLY 97.A N GLN 100.A OE1 no hydrogen 2.781 N/A GLN 100.A NE2 THR 216.A O no hydrogen 3.655 N/A VAL 101.A N GLY 97.A O no hydrogen 2.991 N/A ALA 102.A N PRO 98.A O no hydrogen 2.700 N/A ARG 103.A N LEU 99.A O no hydrogen 3.143 N/A VAL 104.A N GLN 100.A O no hydrogen 3.031 N/A LEU 105.A N VAL 101.A O no hydrogen 2.835 N/A ALA 106.A N ALA 102.A O no hydrogen 2.984 N/A LYS 107.A N ARG 103.A O no hydrogen 3.146 N/A LEU 108.A N VAL 104.A O no hydrogen 2.949 N/A ALA 109.A N LEU 105.A O no hydrogen 2.734 N/A GLU 110.A N ALA 106.A O no hydrogen 3.120 N/A LYS 111.A N LYS 107.A O no hydrogen 2.745 N/A GLU 112.A N LEU 108.A O no hydrogen 2.807 N/A LYS 113.A N GLU 110.A O no hydrogen 3.338 N/A VAL 114.A N ALA 109.A O no hydrogen 3.053 N/A ASP 115.A N ARG 2.A O no hydrogen 2.759 N/A LEU 116.A N ARG 2.A O no hydrogen 3.385 N/A VAL 117.A N ALA 176.A O no hydrogen 2.931 N/A LEU 118.A N LEU 4.A O no hydrogen 2.771 N/A LEU 119.A N VAL 178.A O no hydrogen 2.904 N/A LYS 121.A N ALA 180.A O no hydrogen 3.043 N/A LYS 121.A NZ ASP 181.A OD2 no hydrogen 3.060 N/A GLN 122.A NE2 ASN 129.A OD1 no hydrogen 3.644 N/A ILE 124.A N ASN 36.A OD1 no hydrogen 3.018 N/A ASP 126.A N ASP 125.A OD1 no hydrogen 2.620 N/A ASP 127.A N ALA 123.A O no hydrogen 2.786 N/A CYS 128.A N ASP 126.A OD1 no hydrogen 2.928 N/A CYS 128.A SG ASP 126.A O no hydrogen 3.811 N/A CYS 128.A SG GLN 130.A OE1 no hydrogen 3.853 N/A GLN 133.A N GLN 133.A OE1 no hydrogen 2.769 N/A GLN 133.A NE2 ASN 129.A O no hydrogen 3.154 N/A MET 134.A N GLN 130.A O no hydrogen 2.963 N/A THR 135.A N THR 131.A O no hydrogen 2.812 N/A THR 135.A OG1 THR 131.A O no hydrogen 2.890 N/A ALA 136.A N GLY 132.A O no hydrogen 2.920 N/A GLY 137.A N GLN 133.A O no hydrogen 2.990 N/A PHE 138.A N MET 134.A O no hydrogen 2.910 N/A LEU 139.A N THR 135.A O no hydrogen 3.030 N/A ASP 140.A N GLY 137.A O no hydrogen 3.428 N/A TRP 141.A N ALA 136.A O no hydrogen 2.887 N/A GLY 144.A N VAL 177.A O no hydrogen 2.958 N/A PHE 146.A N THR 179.A OG1 no hydrogen 3.015 N/A ALA 147.A N THR 179.A O no hydrogen 2.859 N/A SER 148.A N GLU 160.A O no hydrogen 2.848 N/A SER 148.A OG GLU 160.A O no hydrogen 3.424 N/A GLN 149.A N GLU 160.A O no hydrogen 3.420 N/A THR 151.A N LYS 158.A O no hydrogen 2.828 N/A GLU 153.A N LYS 156.A O no hydrogen 2.592 N/A LEU 157.A N LEU 172.A O no hydrogen 2.776 N/A LYS 158.A N THR 151.A O no hydrogen 2.771 N/A VAL 159.A N LEU 170.A O no hydrogen 2.965 N/A GLU 160.A N GLN 149.A O no hydrogen 2.960 N/A ARG 161.A N GLU 168.A O no hydrogen 2.784 N/A ARG 161.A NE THR 145.A O no hydrogen 2.886 N/A ARG 161.A NH1 GLU 168.A OE2 no hydrogen 2.697 N/A ARG 161.A NH2 THR 145.A OG1 no hydrogen 2.907 N/A ALA 162.A N PHE 146.A O no hydrogen 2.907 N/A ILE 163.A N GLY 166.A O no hydrogen 2.987 N/A GLY 166.A N ILE 163.A O no hydrogen 3.326 N/A GLU 168.A N ARG 161.A O no hydrogen 3.087 N/A LEU 170.A N VAL 159.A O no hydrogen 3.007 N/A ARG 171.A NH1 GLU 153.A OE1 no hydrogen 2.828 N/A LEU 172.A N LEU 157.A O no hydrogen 2.711 N/A LEU 174.A N ASP 155.A O no hydrogen 3.072 N/A ALA 176.A N ASP 115.A O no hydrogen 3.090 N/A VAL 177.A N PRO 142.A O no hydrogen 3.050 N/A VAL 178.A N VAL 117.A O no hydrogen 2.866 N/A THR 179.A N GLY 144.A O no hydrogen 3.130 N/A ALA 180.A N LEU 119.A O no hydrogen 2.768 N/A ASP 181.A N ALA 147.A O no hydrogen 2.864 N/A ARG 183.A N ASP 181.A OD1 no hydrogen 3.407 N/A LEU 184.A N ASP 181.A O no hydrogen 3.116 N/A ARG 188.A N GLU 44.A OE1 no hydrogen 2.822 N/A ARG 188.A NE GLU 44.A OE1 no hydrogen 2.919 N/A ARG 188.A NE GLU 44.A OE2 no hydrogen 3.340 N/A ARG 188.A NH1 GLU 51.A OE2 no hydrogen 2.692 N/A ARG 188.A NH2 GLU 44.A OE2 no hydrogen 2.856 N/A ARG 188.A NH2 GLU 51.A OE1 no hydrogen 3.043 N/A ARG 188.A NH2 GLU 51.A OE2 no hydrogen 3.487 N/A THR 191.A OG1 ASN 194.A OD1 no hydrogen 2.843 N/A ASN 194.A N THR 191.A OG1 no hydrogen 3.262 N/A ILE 195.A N THR 191.A O no hydrogen 2.907 N/A MET 196.A N LEU 192.A O no hydrogen 2.891 N/A LYS 197.A N PRO 193.A O no hydrogen 2.860 N/A ALA 198.A N ASN 194.A O no hydrogen 2.900 N/A LYS 199.A N MET 196.A O no hydrogen 3.121 N/A LYS 200.A N LYS 197.A O no hydrogen 2.669 N/A LYS 201.A N ALA 198.A O no hydrogen 3.282 N/A LYS 201.A NZ LEU 76.A O no hydrogen 2.761 N/A LYS 201.A NZ ALA 80.A O no hydrogen 2.956 N/A GLU 204.A N GLY 83.A O no hydrogen 2.828 N/A ILE 206.A N HIS 85.A O no hydrogen 2.965 N/A LYS 207.A N ASP 210.A OD2 no hydrogen 3.199 N/A ASP 210.A N LYS 207.A O no hydrogen 2.829 N/A LEU 211.A N PRO 208.A O no hydrogen 2.841 N/A GLY 212.A N GLY 209.A O no hydrogen 3.023 N/A VAL 213.A N PRO 208.A O no hydrogen 2.944 N/A THR 216.A N ASP 214.A OD1 no hydrogen 3.240 N/A THR 216.A OG1 ASP 214.A OD1 no hydrogen 2.709 N/A THR 216.A OG1 ASP 214.A OD2 no hydrogen 3.088 N/A SER 217.A OG LEU 219.A O no hydrogen 3.223 N/A LEU 219.A N SER 217.A OG no hydrogen 3.332 N/A VAL 224.A N ARG 23.A O no hydrogen 2.871 N/A ASP 241.A N THR 238.A OG1 no hydrogen 3.071 N/A LEU 242.A N THR 238.A O no hydrogen 3.026 N/A VAL 243.A N THR 239.A O no hydrogen 2.874 N/A ALA 244.A N GLU 240.A O no hydrogen 2.847 N/A LYS 245.A N ASP 241.A O no hydrogen 2.951 N/A LEU 246.A N LEU 242.A O no hydrogen 3.121 N/A LYS 247.A N VAL 243.A O no hydrogen 2.998 N/A GLU 248.A N ALA 244.A O no hydrogen 2.986 N/A ILE 249.A N LYS 245.A O no hydrogen 3.100 N/A GLY 250.A N LYS 247.A O no hydrogen 2.951 N/A ARG 251.A N LEU 246.A O no hydrogen 2.872 N/A ILE 252.A N LEU 246.A O no hydrogen 3.208 N/A