Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4all_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LEU 2.A O no hydrogen 2.283 N/A GLU 5.A N GLU 5.A OE1 no hydrogen 2.958 N/A LYS 7.A N LEU 4.A O no hydrogen 3.250 N/A THR 8.A N ASP 88.A OD2 no hydrogen 2.630 N/A TYR 9.A N LYS 34.A O no hydrogen 3.205 N/A TYR 9.A OH LEU 234.A O no hydrogen 3.313 N/A VAL 10.A N GLY 89.A O no hydrogen 3.212 N/A ILE 11.A N VAL 36.A O no hydrogen 2.683 N/A MET 12.A N TYR 91.A O no hydrogen 2.969 N/A GLY 13.A N THR 38.A O no hydrogen 3.314 N/A ALA 15.A N SER 19.A OG no hydrogen 2.973 N/A ASN 16.A N SER 19.A OG no hydrogen 3.234 N/A ARG 18.A N ASN 16.A OD1 no hydrogen 2.660 N/A SER 19.A N ASN 16.A O no hydrogen 3.125 N/A SER 19.A OG ASN 16.A O no hydrogen 3.414 N/A PHE 22.A N SER 19.A O no hydrogen 2.969 N/A GLY 23.A N ILE 20.A O no hydrogen 2.687 N/A VAL 24.A N ILE 20.A O no hydrogen 3.239 N/A ALA 25.A N ALA 21.A O no hydrogen 2.925 N/A LYS 26.A N PHE 22.A O no hydrogen 3.117 N/A VAL 27.A N GLY 23.A O no hydrogen 3.064 N/A LEU 28.A N VAL 24.A O no hydrogen 2.968 N/A ASP 29.A N ALA 25.A O no hydrogen 2.918 N/A GLN 30.A N LYS 26.A O no hydrogen 3.009 N/A LEU 31.A N VAL 27.A O no hydrogen 2.953 N/A GLY 32.A N ASP 29.A O no hydrogen 3.128 N/A ALA 33.A N LEU 28.A O no hydrogen 3.164 N/A LYS 34.A N LYS 7.A O no hydrogen 2.975 N/A LEU 35.A N GLN 57.A OE1 no hydrogen 2.758 N/A VAL 36.A N TYR 9.A O no hydrogen 2.957 N/A PHE 37.A N HIS 61.A O no hydrogen 2.769 N/A THR 38.A N ILE 11.A O no hydrogen 3.013 N/A TYR 39.A N TYR 63.A O no hydrogen 3.144 N/A SER 44.A N LYS 41.A O no hydrogen 2.899 N/A SER 44.A OG LYS 41.A O no hydrogen 3.090 N/A ARG 45.A N GLU 42.A O no hydrogen 2.698 N/A ARG 45.A NE TYR 39.A OH no hydrogen 2.893 N/A LEU 48.A N SER 44.A O no hydrogen 3.185 N/A GLU 49.A N ARG 45.A O no hydrogen 3.139 N/A LYS 50.A N LYS 46.A O no hydrogen 3.398 N/A LEU 51.A N GLU 47.A O no hydrogen 3.261 N/A LEU 52.A N LEU 48.A O no hydrogen 2.812 N/A GLU 53.A N LYS 50.A O no hydrogen 3.134 N/A GLN 54.A N LEU 51.A O no hydrogen 3.097 N/A LEU 55.A N LEU 52.A O no hydrogen 2.935 N/A ASN 56.A N ASP 29.A OD1 no hydrogen 2.906 N/A GLN 57.A NE2 ASP 29.A OD1 no hydrogen 2.890 N/A TYR 63.A N PHE 37.A O no hydrogen 2.823 N/A TYR 63.A OH ASP 83.A OD2 no hydrogen 2.487 N/A GLN 64.A NE2 GLU 72.A OE1 no hydrogen 3.142 N/A ILE 65.A N TYR 39.A O no hydrogen 2.796 N/A ASP 66.A N GLU 72.A OE1 no hydrogen 2.672 N/A GLN 68.A N ASP 66.A OD1 no hydrogen 2.989 N/A GLN 68.A NE2 ASP 66.A OD1 no hydrogen 3.309 N/A SER 69.A N ASP 66.A O no hydrogen 2.945 N/A GLU 72.A N SER 69.A OG no hydrogen 3.329 N/A VAL 73.A N SER 69.A O no hydrogen 3.293 N/A ILE 74.A N ASP 70.A O no hydrogen 3.095 N/A ASN 75.A N GLU 71.A O no hydrogen 2.837 N/A GLY 76.A N GLU 72.A O no hydrogen 2.817 N/A PHE 77.A N VAL 73.A O no hydrogen 3.133 N/A GLU 78.A N ILE 74.A O no hydrogen 2.944 N/A GLN 79.A N ASN 75.A O no hydrogen 2.949 N/A GLN 79.A NE2 ASP 83.A OD2 no hydrogen 3.503 N/A ILE 80.A N GLY 76.A O no hydrogen 2.920 N/A GLY 81.A N PHE 77.A O no hydrogen 3.117 N/A LYS 82.A N GLU 78.A O no hydrogen 3.113 N/A ASP 83.A N GLN 79.A O no hydrogen 2.923 N/A ASP 83.A N ILE 80.A O no hydrogen 3.191 N/A VAL 84.A N ILE 80.A O no hydrogen 2.889 N/A GLY 85.A N GLY 81.A O no hydrogen 3.009 N/A ILE 87.A N LEU 135.A O no hydrogen 2.941 N/A ASP 88.A N THR 8.A O no hydrogen 2.816 N/A VAL 90.A N SER 141.A O no hydrogen 3.108 N/A TYR 91.A N VAL 10.A O no hydrogen 2.876 N/A TYR 91.A OH THR 145.A OG1 no hydrogen 2.477 N/A HIS 92.A N VAL 143.A O no hydrogen 2.746 N/A HIS 92.A NE2 SER 124.A OG no hydrogen 2.964 N/A SER 93.A N MET 12.A O no hydrogen 2.963 N/A PHE 96.A N SER 121.A OG no hydrogen 3.057 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.571 N/A ASP 101.A N ASN 98.A O no hydrogen 2.805 N/A LEU 102.A N ASN 98.A O no hydrogen 3.337 N/A GLU 108.A N ARG 105.A O no hydrogen 3.072 N/A THR 109.A N PHE 106.A O no hydrogen 2.983 N/A THR 109.A OG1 PHE 106.A O no hydrogen 3.548 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 2.661 N/A GLY 113.A N SER 110.A OG no hydrogen 3.212 N/A PHE 114.A N SER 110.A O no hydrogen 3.025 N/A LEU 115.A N ARG 111.A O no hydrogen 2.965 N/A LEU 116.A N GLU 112.A O no hydrogen 2.856 N/A ALA 117.A N GLY 113.A O no hydrogen 3.074 N/A GLN 118.A N PHE 114.A O no hydrogen 3.132 N/A GLN 118.A NE2 VAL 162.A O no hydrogen 3.135 N/A ASP 119.A N LEU 115.A O no hydrogen 2.868 N/A ILE 120.A N LEU 116.A O no hydrogen 3.091 N/A SER 121.A N ALA 117.A O no hydrogen 2.959 N/A SER 121.A OG ALA 117.A O no hydrogen 3.077 N/A SER 122.A N GLN 118.A O no hydrogen 2.853 N/A SER 122.A OG SER 166.A OG no hydrogen 2.758 N/A TYR 123.A N GLN 118.A O no hydrogen 3.026 N/A SER 124.A OG HIS 92.A NE2 no hydrogen 2.964 N/A SER 124.A OG ILE 120.A O no hydrogen 2.446 N/A LEU 125.A N SER 122.A O no hydrogen 3.086 N/A THR 126.A N TYR 123.A O no hydrogen 2.748 N/A THR 126.A OG1 ASN 170.A OD1 no hydrogen 2.895 N/A VAL 128.A N SER 124.A O no hydrogen 2.948 N/A ALA 129.A N LEU 125.A O no hydrogen 2.738 N/A HIS 130.A N THR 126.A O no hydrogen 2.895 N/A HIS 130.A ND1 GLU 131.A OE2 no hydrogen 3.294 N/A GLU 131.A N ILE 127.A O no hydrogen 2.943 N/A ALA 132.A N VAL 128.A O no hydrogen 2.798 N/A LYS 133.A N ALA 129.A O no hydrogen 2.809 N/A LYS 134.A N GLU 131.A O no hydrogen 3.082 N/A LYS 134.A NZ GLU 131.A OE1 no hydrogen 3.058 N/A LEU 135.A N ALA 132.A O no hydrogen 2.651 N/A MET 136.A N LYS 133.A O no hydrogen 3.167 N/A GLY 140.A N ASN 182.A O no hydrogen 3.026 N/A SER 141.A N ASP 88.A O no hydrogen 3.101 N/A SER 141.A OG LEU 233.A O no hydrogen 2.786 N/A ILE 142.A N ARG 184.A O no hydrogen 2.740 N/A VAL 143.A N VAL 90.A O no hydrogen 2.988 N/A ALA 144.A N ASN 186.A O no hydrogen 3.034 N/A THR 145.A OG1 TYR 91.A OH no hydrogen 2.477 N/A THR 145.A OG1 HIS 92.A O no hydrogen 3.141 N/A THR 146.A N ILE 188.A O no hydrogen 2.705 N/A THR 146.A OG1 TYR 147.A O no hydrogen 3.332 N/A THR 146.A OG1 GLU 168.A OE2 no hydrogen 2.848 N/A TYR 147.A N THR 146.A OG1 no hydrogen 2.451 N/A GLY 150.A N TYR 147.A O no hydrogen 2.714 N/A GLU 151.A N LEU 148.A O no hydrogen 2.788 N/A PHE 152.A N LEU 148.A O no hydrogen 3.287 N/A ASN 156.A ND2 GLY 202.A O no hydrogen 2.917 N/A ASN 158.A ND2 ASP 101.A O no hydrogen 3.665 N/A ASN 158.A ND2 GLY 104.A O no hydrogen 2.881 N/A MET 160.A N TYR 157.A O no hydrogen 2.933 N/A VAL 162.A N ASN 158.A O no hydrogen 3.368 N/A ALA 163.A N VAL 159.A O no hydrogen 3.029 N/A LYS 164.A N MET 160.A O no hydrogen 2.739 N/A LYS 164.A NZ THR 145.A O no hydrogen 2.965 N/A ALA 165.A N GLY 161.A O no hydrogen 3.023 N/A SER 166.A N VAL 162.A O no hydrogen 3.311 N/A SER 166.A OG GLN 118.A OE1 no hydrogen 2.739 N/A SER 166.A OG SER 122.A OG no hydrogen 2.758 N/A LEU 167.A N ALA 163.A O no hydrogen 2.720 N/A GLU 168.A N LYS 164.A O no hydrogen 2.897 N/A ALA 169.A N ALA 165.A O no hydrogen 3.296 N/A ASN 170.A N SER 166.A O no hydrogen 3.149 N/A ASN 170.A ND2 SER 122.A OG no hydrogen 3.371 N/A ASN 170.A ND2 THR 126.A OG1 no hydrogen 3.025 N/A VAL 171.A N LEU 167.A O no hydrogen 3.030 N/A LYS 172.A N GLU 168.A O no hydrogen 3.267 N/A TYR 173.A N ALA 169.A O no hydrogen 2.723 N/A LEU 174.A N ASN 170.A O no hydrogen 2.828 N/A ALA 175.A N VAL 171.A O no hydrogen 2.795 N/A LEU 176.A N LYS 172.A O no hydrogen 3.097 N/A ASP 177.A N TYR 173.A O no hydrogen 3.263 N/A LEU 178.A N LEU 174.A O no hydrogen 2.733 N/A ASP 181.A N LEU 178.A O no hydrogen 3.087 N/A ASN 182.A N GLY 179.A O no hydrogen 2.882 N/A ASN 182.A ND2 GLU 138.A O no hydrogen 3.587 N/A ILE 183.A N LEU 178.A O no hydrogen 3.069 N/A ARG 184.A N GLY 140.A O no hydrogen 3.074 N/A ARG 184.A NH1 LEU 233.A O no hydrogen 3.474 N/A ARG 184.A NH1 VAL 241.A O no hydrogen 2.750 N/A ARG 184.A NH2 LEU 233.A O no hydrogen 3.192 N/A VAL 185.A N THR 242.A OG1 no hydrogen 3.016 N/A ASN 186.A N ILE 142.A O no hydrogen 2.926 N/A ASN 186.A ND2 VAL 241.A O no hydrogen 3.130 N/A ALA 187.A N GLU 244.A O no hydrogen 2.877 N/A ILE 188.A N ALA 144.A O no hydrogen 3.009 N/A SER 189.A N ILE 246.A O no hydrogen 3.054 N/A ALA 190.A N THR 146.A O no hydrogen 3.002 N/A GLY 191.A N VAL 248.A O no hydrogen 3.070 N/A ARG 194.A NH2 ASN 205.A OD1 no hydrogen 2.703 N/A ALA 198.A N THR 195.A OG1 no hydrogen 3.192 N/A GLY 200.A N SER 197.A O no hydrogen 3.047 N/A VAL 201.A N ALA 198.A O no hydrogen 3.152 N/A THR 206.A OG1 GLY 203.A O no hydrogen 3.124 N/A ILE 207.A N GLY 203.A O no hydrogen 3.152 N/A LEU 208.A N PHE 204.A O no hydrogen 2.951 N/A LYS 209.A N ASN 205.A O no hydrogen 3.142 N/A GLU 210.A N THR 206.A O no hydrogen 3.081 N/A GLU 210.A N ILE 207.A O no hydrogen 3.005 N/A ILE 211.A N ILE 207.A O no hydrogen 3.331 N/A GLU 212.A N LEU 208.A O no hydrogen 3.448 N/A GLU 213.A N LYS 209.A O no hydrogen 2.950 N/A GLU 213.A N GLU 210.A O no hydrogen 3.275 N/A ARG 214.A N GLU 210.A O no hydrogen 2.752 N/A ARG 214.A NH2 LYS 256.A O no hydrogen 3.086 N/A ALA 215.A N ILE 211.A O no hydrogen 3.063 N/A LEU 217.A N SER 250.A O no hydrogen 3.078 N/A LYS 218.A N ALA 215.A O no hydrogen 2.812 N/A LYS 218.A NZ ALA 215.A O no hydrogen 3.171 N/A ARG 219.A NH1 ASN 220.A O no hydrogen 3.277 N/A ARG 219.A NH1 GLU 225.A OE1 no hydrogen 3.424 N/A ARG 219.A NH1 GLU 225.A OE2 no hydrogen 3.026 N/A ARG 219.A NH2 GLU 225.A OE2 no hydrogen 3.042 N/A ASN 220.A ND2 LEU 208.A O no hydrogen 3.357 N/A ASP 222.A N GLU 225.A OE1 no hydrogen 3.180 N/A GLN 223.A N GLN 223.A OE1 no hydrogen 2.820 N/A GLN 223.A NE2 ARG 18.A O no hydrogen 2.551 N/A GLU 225.A N ASP 222.A OD1 no hydrogen 2.956 N/A VAL 226.A N ASP 222.A O no hydrogen 3.078 N/A GLY 227.A N GLN 223.A O no hydrogen 2.730 N/A LYS 228.A N VAL 224.A O no hydrogen 2.947 N/A ALA 230.A N VAL 226.A O no hydrogen 3.106 N/A ALA 231.A N GLY 227.A O no hydrogen 2.968 N/A TYR 232.A N LYS 228.A O no hydrogen 3.228 N/A LEU 233.A N THR 229.A O no hydrogen 2.842 N/A LEU 234.A N ALA 230.A O no hydrogen 2.877 N/A SER 235.A N TYR 232.A O no hydrogen 3.181 N/A SER 235.A OG ALA 231.A O no hydrogen 3.102 N/A SER 235.A OG TYR 232.A O no hydrogen 3.199 N/A LEU 237.A N SER 235.A OG no hydrogen 3.413 N/A SER 238.A N SER 235.A O no hydrogen 3.478 N/A SER 238.A OG TYR 232.A O no hydrogen 2.855 N/A SER 238.A OG LEU 233.A O no hydrogen 2.921 N/A SER 238.A OG SER 235.A O no hydrogen 3.167 N/A SER 239.A N ASP 236.A O no hydrogen 3.161 N/A SER 239.A OG ASP 236.A O no hydrogen 3.150 N/A VAL 241.A N SER 238.A O no hydrogen 2.733 N/A THR 242.A OG1 VAL 185.A O no hydrogen 3.466 N/A GLY 243.A N VAL 185.A O no hydrogen 2.779 N/A GLU 244.A N ASN 186.A OD1 no hydrogen 3.087 N/A ASN 245.A N GLU 244.A OE1 no hydrogen 3.176 N/A ILE 246.A N ALA 187.A O no hydrogen 2.874 N/A HIS 247.A NE2 GLU 151.A OE1 no hydrogen 2.797 N/A VAL 248.A N SER 189.A O no hydrogen 2.928 N/A SER 250.A OG ARG 219.A O no hydrogen 2.702 N/A GLY 251.A N ASP 249.A OD1 no hydrogen 3.072 N/A PHE 252.A N ASP 249.A O no hydrogen 2.911 N/A HIS 253.A N ASP 249.A OD2 no hydrogen 2.842 N/A HIS 253.A ND1 ASP 249.A OD1 no hydrogen 2.955 N/A ALA 254.A N GLY 251.A O no hydrogen 3.073 N/A ILE 255.A N PHE 252.A O no hydrogen 3.100 N/A