Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1ae1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N LEU 29.A O no hydrogen 3.342 N/A LYS 5.A N SER 3.A OG no hydrogen 3.048 N/A GLY 6.A N GLY 30.A O no hydrogen 3.249 N/A THR 7.A N LEU 4.A O no hydrogen 3.240 N/A THR 7.A OG1 LEU 4.A O no hydrogen 2.634 N/A THR 8.A OG1 LYS 84.A O no hydrogen 2.849 N/A ALA 9.A N ARG 32.A O no hydrogen 2.766 N/A LEU 10.A N ILE 87.A O no hydrogen 2.899 N/A VAL 11.A N TYR 34.A O no hydrogen 2.967 N/A THR 12.A N VAL 89.A O no hydrogen 3.203 N/A GLY 14.A N CYS 36.A O no hydrogen 3.347 N/A TYR 20.A N LYS 16.A O no hydrogen 3.130 N/A TYR 20.A OH GLU 24.A OE2 no hydrogen 3.039 N/A ALA 21.A N GLY 17.A O no hydrogen 3.337 N/A ILE 22.A N ILE 18.A O no hydrogen 2.897 N/A VAL 23.A N GLY 19.A O no hydrogen 3.068 N/A GLU 24.A N TYR 20.A O no hydrogen 3.179 N/A GLU 25.A N ALA 21.A O no hydrogen 2.928 N/A LEU 26.A N ILE 22.A O no hydrogen 2.903 N/A ALA 27.A N VAL 23.A O no hydrogen 2.893 N/A GLY 28.A N GLU 24.A O no hydrogen 2.668 N/A LEU 29.A N GLU 25.A O no hydrogen 3.137 N/A GLY 30.A N ALA 27.A O no hydrogen 3.197 N/A ALA 31.A N LEU 26.A O no hydrogen 3.062 N/A ARG 32.A N THR 7.A O no hydrogen 2.737 N/A ARG 32.A NH2 VAL 80.A O no hydrogen 2.933 N/A VAL 33.A N ASN 56.A O no hydrogen 3.034 N/A TYR 34.A N ALA 9.A O no hydrogen 2.741 N/A TYR 34.A OH SER 60.A OG no hydrogen 2.677 N/A THR 35.A N GLU 58.A O no hydrogen 3.003 N/A THR 35.A OG1 VAL 11.A O no hydrogen 2.832 N/A ASN 39.A ND2 GLU 42.A OE1 no hydrogen 3.009 N/A LYS 41.A NZ ASP 44.A OD2 no hydrogen 3.473 N/A GLU 42.A N ASN 39.A OD1 no hydrogen 3.370 N/A LEU 43.A N ASN 39.A O no hydrogen 3.125 N/A ASP 44.A N GLU 40.A O no hydrogen 2.792 N/A GLU 45.A N LYS 41.A O no hydrogen 3.164 N/A CYS 46.A N GLU 42.A O no hydrogen 3.511 N/A CYS 46.A SG SER 15.A O no hydrogen 3.598 N/A CYS 46.A SG GLU 42.A O no hydrogen 3.522 N/A LEU 47.A N LEU 43.A O no hydrogen 3.206 N/A GLU 48.A N ASP 44.A O no hydrogen 3.048 N/A ILE 49.A N GLU 45.A O no hydrogen 2.812 N/A TRP 50.A N CYS 46.A O no hydrogen 2.822 N/A ARG 51.A N LEU 47.A O no hydrogen 3.203 N/A GLU 52.A N GLU 48.A O no hydrogen 3.173 N/A LYS 53.A N ILE 49.A O no hydrogen 3.411 N/A LYS 53.A NZ GLU 24.A OE2 no hydrogen 3.423 N/A GLY 54.A N ARG 51.A O no hydrogen 3.016 N/A LEU 55.A N TRP 50.A O no hydrogen 2.852 N/A GLU 58.A N VAL 33.A O no hydrogen 2.773 N/A SER 60.A N THR 35.A O no hydrogen 3.222 N/A SER 60.A OG TYR 34.A OH no hydrogen 2.677 N/A CYS 62.A N SER 37.A O no hydrogen 2.910 N/A CYS 62.A SG GLU 69.A O no hydrogen 3.598 N/A ASP 63.A N GLU 69.A OE1 no hydrogen 2.757 N/A LEU 65.A N ASP 63.A OD1 no hydrogen 3.298 N/A SER 66.A N ASP 63.A O no hydrogen 2.986 N/A GLU 69.A N SER 66.A OG no hydrogen 2.996 N/A ARG 70.A N SER 66.A O no hydrogen 3.159 N/A ARG 70.A NH1 LEU 64.A O no hydrogen 2.914 N/A ASP 71.A N ARG 67.A O no hydrogen 3.160 N/A LYS 72.A N THR 68.A O no hydrogen 2.927 N/A LEU 73.A N GLU 69.A O no hydrogen 2.859 N/A MET 74.A N ARG 70.A O no hydrogen 3.106 N/A GLN 75.A N ASP 71.A O no hydrogen 3.075 N/A THR 76.A N LYS 72.A O no hydrogen 3.050 N/A THR 76.A OG1 LYS 72.A O no hydrogen 3.061 N/A VAL 77.A N LEU 73.A O no hydrogen 2.930 N/A ALA 78.A N MET 74.A O no hydrogen 2.966 N/A HIS 79.A N GLN 75.A O no hydrogen 2.998 N/A VAL 80.A N THR 76.A O no hydrogen 3.074 N/A PHE 81.A N VAL 77.A O no hydrogen 3.186 N/A ASP 82.A N HIS 79.A O no hydrogen 3.343 N/A GLY 83.A N ALA 78.A O no hydrogen 2.952 N/A LEU 85.A N LEU 129.A O no hydrogen 3.101 N/A ASN 86.A N THR 8.A O no hydrogen 3.191 N/A ASN 86.A N THR 8.A OG1 no hydrogen 3.166 N/A ILE 87.A N THR 8.A O no hydrogen 3.078 N/A LEU 88.A N ASN 137.A O no hydrogen 2.734 N/A VAL 89.A N LEU 10.A O no hydrogen 2.804 N/A ASN 90.A N ILE 139.A O no hydrogen 2.792 N/A ASN 90.A ND2 SER 123.A OG no hydrogen 3.307 N/A ASN 91.A N THR 12.A OG1 no hydrogen 3.146 N/A ASN 91.A N VAL 89.A O no hydrogen 3.030 N/A ALA 92.A N THR 12.A OG1 no hydrogen 2.972 N/A VAL 94.A N ASN 115.A OD1 no hydrogen 3.104 N/A LYS 98.A N SER 152.A O no hydrogen 2.893 N/A LYS 98.A NZ ASP 107.A OD1 no hydrogen 3.485 N/A LYS 98.A NZ ASP 107.A OD2 no hydrogen 2.648 N/A LYS 101.A NZ ASP 102.A OD1 no hydrogen 2.982 N/A ASP 102.A N GLU 99.A O no hydrogen 2.862 N/A THR 104.A N ASP 107.A OD2 no hydrogen 3.038 N/A ASP 107.A N THR 104.A OG1 no hydrogen 3.151 N/A TYR 108.A N THR 104.A O no hydrogen 3.099 N/A ASN 109.A N GLU 105.A O no hydrogen 2.964 N/A ILE 110.A N LYS 106.A O no hydrogen 2.949 N/A ILE 111.A N ASP 107.A O no hydrogen 2.909 N/A MET 112.A N TYR 108.A O no hydrogen 2.816 N/A GLY 113.A N ASN 109.A O no hydrogen 2.867 N/A THR 114.A N ILE 110.A O no hydrogen 2.851 N/A THR 114.A OG1 ILE 110.A O no hydrogen 2.683 N/A ASN 115.A N ILE 111.A O no hydrogen 3.037 N/A ASN 115.A ND2 VAL 94.A O no hydrogen 3.350 N/A ASN 115.A ND2 SER 159.A OG no hydrogen 2.980 N/A PHE 116.A N MET 112.A O no hydrogen 3.114 N/A GLU 117.A N MET 112.A O no hydrogen 3.021 N/A ALA 118.A N GLY 113.A O no hydrogen 2.956 N/A TYR 120.A N PHE 116.A O no hydrogen 2.774 N/A HIS 121.A N GLU 117.A O no hydrogen 2.762 N/A LEU 122.A N ALA 118.A O no hydrogen 2.988 N/A SER 123.A N ALA 119.A O no hydrogen 3.378 N/A SER 123.A OG ALA 119.A O no hydrogen 2.790 N/A GLN 124.A N TYR 120.A O no hydrogen 2.963 N/A GLN 124.A NE2 HIS 121.A ND1 no hydrogen 3.560 N/A ILE 125.A N HIS 121.A O no hydrogen 3.112 N/A ALA 126.A N LEU 122.A O no hydrogen 2.843 N/A TYR 127.A N SER 123.A O no hydrogen 3.233 N/A TYR 127.A OH ASP 177.A OD2 no hydrogen 2.821 N/A LEU 129.A N ALA 126.A O no hydrogen 2.711 N/A LEU 130.A N ALA 126.A O no hydrogen 3.109 N/A LYS 131.A N TYR 127.A O no hydrogen 2.931 N/A LYS 131.A NZ ASP 177.A OD1 no hydrogen 3.142 N/A ALA 132.A N PRO 128.A O no hydrogen 2.969 N/A SER 133.A N LEU 129.A O no hydrogen 3.004 N/A SER 133.A OG LEU 85.A O no hydrogen 3.045 N/A SER 133.A OG ASN 86.A OD1 no hydrogen 3.549 N/A SER 133.A OG LEU 130.A O no hydrogen 2.851 N/A GLN 134.A N LEU 130.A O no hydrogen 3.335 N/A GLN 134.A N LYS 131.A O no hydrogen 3.273 N/A ASN 135.A N SER 133.A OG no hydrogen 3.229 N/A GLY 136.A N ASN 178.A O no hydrogen 2.988 N/A VAL 138.A N ARG 180.A O no hydrogen 2.923 N/A ILE 139.A N LEU 88.A O no hydrogen 2.850 N/A PHE 140.A N ASN 182.A O no hydrogen 3.030 N/A LEU 141.A N ASN 90.A O no hydrogen 3.369 N/A SER 142.A N VAL 184.A O no hydrogen 2.855 N/A ILE 144.A N PRO 186.A O no hydrogen 3.231 N/A ALA 145.A N SER 143.A OG no hydrogen 3.063 N/A GLY 146.A N SER 143.A O no hydrogen 2.912 N/A PHE 147.A N ILE 144.A O no hydrogen 2.950 N/A SER 148.A N ILE 144.A O no hydrogen 3.360 N/A SER 152.A OG GLU 194.A OE2 no hydrogen 3.173 N/A SER 157.A N VAL 153.A O no hydrogen 2.899 N/A SER 157.A OG ALA 145.A O no hydrogen 2.877 N/A SER 157.A OG VAL 153.A O no hydrogen 3.230 N/A ALA 158.A N SER 154.A O no hydrogen 3.153 N/A SER 159.A N LEU 155.A O no hydrogen 3.291 N/A SER 159.A OG TYR 156.A O no hydrogen 2.585 N/A LYS 160.A N TYR 156.A O no hydrogen 3.122 N/A LYS 160.A NZ LEU 141.A O no hydrogen 2.905 N/A GLY 161.A N SER 157.A O no hydrogen 2.829 N/A ALA 162.A N ALA 158.A O no hydrogen 2.990 N/A ILE 163.A N SER 159.A O no hydrogen 3.223 N/A ASN 164.A N LYS 160.A O no hydrogen 2.889 N/A ASN 164.A ND2 SER 142.A OG no hydrogen 2.670 N/A GLN 165.A N GLY 161.A O no hydrogen 3.210 N/A MET 166.A N ALA 162.A O no hydrogen 2.941 N/A THR 167.A N ILE 163.A O no hydrogen 2.930 N/A LYS 168.A N GLN 165.A O no hydrogen 3.131 N/A SER 169.A N GLN 165.A O no hydrogen 3.278 N/A SER 169.A OG GLN 165.A O no hydrogen 3.492 N/A LEU 170.A N MET 166.A O no hydrogen 2.936 N/A ALA 171.A N THR 167.A O no hydrogen 3.166 N/A CYS 172.A N LYS 168.A O no hydrogen 3.159 N/A CYS 172.A SG LYS 168.A O no hydrogen 3.382 N/A GLU 173.A N SER 169.A O no hydrogen 2.944 N/A TRP 174.A N LEU 170.A O no hydrogen 2.896 N/A LYS 176.A NZ GLU 173.A O no hydrogen 2.770 N/A LYS 176.A NZ ASP 177.A OD2 no hydrogen 3.376 N/A ASP 177.A N TRP 174.A O no hydrogen 2.918 N/A ASN 178.A N ALA 175.A O no hydrogen 3.322 N/A ILE 179.A N TRP 174.A O no hydrogen 3.208 N/A ARG 180.A N GLY 136.A O no hydrogen 3.161 N/A ARG 180.A NE ILE 228.A O no hydrogen 3.234 N/A ARG 180.A NH2 LEU 220.A O no hydrogen 2.507 N/A VAL 181.A N THR 229.A OG1 no hydrogen 3.177 N/A ASN 182.A N VAL 138.A O no hydrogen 3.182 N/A ASN 182.A ND2 ILE 228.A O no hydrogen 3.071 N/A SER 183.A N GLN 231.A O no hydrogen 2.908 N/A VAL 184.A N PHE 140.A O no hydrogen 3.012 N/A ALA 185.A N ILE 233.A O no hydrogen 2.763 N/A GLY 187.A N ALA 235.A O no hydrogen 3.036 N/A LEU 190.A N GLY 208.A O no hydrogen 3.133 N/A GLN 191.A NE2 GLU 194.A OE1 no hydrogen 3.028 N/A LYS 192.A NZ ASP 196.A OD1 no hydrogen 3.250 N/A LYS 192.A NZ ASP 196.A OD2 no hydrogen 3.373 N/A ILE 195.A N GLN 191.A O no hydrogen 2.825 N/A ASP 196.A N LYS 192.A O no hydrogen 2.729 N/A ASN 197.A N GLU 193.A O no hydrogen 3.124 N/A PHE 198.A N GLU 194.A O no hydrogen 3.144 N/A ILE 199.A N ILE 195.A O no hydrogen 3.146 N/A ILE 199.A N ASP 196.A O no hydrogen 3.317 N/A VAL 200.A N ASP 196.A O no hydrogen 3.295 N/A LYS 201.A N ASN 197.A O no hydrogen 3.179 N/A THR 202.A N PHE 198.A O no hydrogen 3.116 N/A THR 202.A N ILE 199.A O no hydrogen 3.231 N/A MET 204.A N GLY 237.A O no hydrogen 3.216 N/A GLY 205.A N THR 202.A O no hydrogen 2.828 N/A ARG 206.A NH1 GLU 212.A OE2 no hydrogen 3.392 N/A ARG 206.A NH2 ALA 207.A O no hydrogen 3.486 N/A ARG 206.A NH2 GLU 212.A OE2 no hydrogen 2.845 N/A GLY 208.A N VAL 188.A O no hydrogen 2.809 N/A LYS 209.A N GLU 212.A OE1 no hydrogen 2.788 N/A GLU 212.A N LYS 209.A O no hydrogen 3.031 N/A VAL 213.A N PRO 210.A O no hydrogen 3.097 N/A SER 214.A N PRO 210.A O no hydrogen 3.192 N/A SER 214.A OG GLU 25.A OE1 no hydrogen 2.863 N/A ALA 215.A N GLN 211.A O no hydrogen 3.173 N/A LEU 216.A N VAL 213.A O no hydrogen 3.110 N/A ILE 217.A N VAL 213.A O no hydrogen 3.152 N/A ALA 218.A N SER 214.A O no hydrogen 2.869 N/A PHE 219.A N ALA 215.A O no hydrogen 3.200 N/A LEU 220.A N LEU 216.A O no hydrogen 3.046 N/A CYS 221.A N ALA 218.A O no hydrogen 3.161 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.146 N/A PHE 222.A N ALA 218.A O no hydrogen 3.180 N/A PHE 222.A N PHE 219.A O no hydrogen 3.033 N/A ALA 224.A N ARG 1.A O no hydrogen 2.993 N/A ALA 225.A N PHE 222.A O no hydrogen 2.930 N/A SER 226.A OG PRO 223.A O no hydrogen 3.274 N/A ILE 228.A N ALA 225.A O no hydrogen 3.211 N/A THR 229.A OG1 VAL 181.A O no hydrogen 3.538 N/A GLY 230.A N VAL 181.A O no hydrogen 2.733 N/A GLN 231.A N ASN 182.A OD1 no hydrogen 3.042 N/A GLN 231.A NE2 THR 229.A O no hydrogen 3.660 N/A ILE 233.A N SER 183.A O no hydrogen 2.963 N/A TRP 234.A NE1 SER 143.A O no hydrogen 3.217 N/A ALA 235.A N ALA 185.A O no hydrogen 3.014 N/A GLY 238.A N ASP 236.A OD1 no hydrogen 2.857 N/A PHE 239.A N ASP 236.A O no hydrogen 3.076 N/A THR 240.A N ASP 236.A OD2 no hydrogen 3.048 N/A THR 240.A OG1 ASP 236.A OD2 no hydrogen 2.792 N/A ALA 241.A N GLY 238.A O no hydrogen 2.983 N/A ASN 242.A N PHE 239.A O no hydrogen 3.087 N/A