Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1yz3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N GLN 3.A O no hydrogen 2.324 N/A VAL 6.A N GLN 3.A O no hydrogen 3.100 N/A TYR 10.A N VAL 6.A O no hydrogen 2.992 N/A TYR 10.A OH ALA 169.A O no hydrogen 2.623 N/A TYR 10.A OH TYR 205.A OH no hydrogen 2.655 N/A GLN 11.A N SER 8.A O no hydrogen 3.179 N/A ARG 12.A N ALA 9.A O no hydrogen 3.118 N/A PHE 13.A N TYR 10.A O no hydrogen 3.317 N/A GLU 14.A N ALA 207.A O no hydrogen 3.007 N/A ARG 16.A NH1 GLU 92.A OE2 no hydrogen 3.179 N/A TYR 18.A N GLU 14.A O no hydrogen 3.059 N/A LEU 19.A N PRO 15.A O no hydrogen 2.923 N/A ARG 20.A N ARG 16.A O no hydrogen 2.986 N/A ASN 21.A N ALA 17.A O no hydrogen 2.798 N/A ASN 21.A ND2 LEU 206.A O no hydrogen 3.275 N/A ASN 22.A N TYR 18.A O no hydrogen 3.066 N/A ASN 22.A ND2 TYR 18.A O no hydrogen 3.019 N/A TYR 23.A N LEU 19.A O no hydrogen 2.694 N/A TYR 23.A OH TYR 68.A OH no hydrogen 3.312 N/A ARG 27.A NE LEU 245.A O no hydrogen 2.973 N/A ARG 27.A NH1 ASN 22.A OD1 no hydrogen 3.049 N/A ARG 27.A NH1 ASP 250.A OD2 no hydrogen 2.933 N/A ARG 27.A NH2 LEU 245.A O no hydrogen 2.981 N/A ARG 27.A NH2 ASP 250.A OD1 no hydrogen 3.140 N/A ARG 27.A NH2 ASP 250.A OD2 no hydrogen 3.371 N/A GLY 28.A N ALA 24.A O no hydrogen 2.779 N/A ASP 29.A N PRO 26.A O no hydrogen 3.086 N/A CYS 31.A SG ASP 29.A OD2 no hydrogen 3.568 N/A ASN 34.A N ASN 32.A OD1 no hydrogen 2.721 N/A GLY 35.A N ASN 32.A O no hydrogen 3.204 N/A TRP 39.A N GLY 35.A O no hydrogen 3.259 N/A LYS 40.A N VAL 36.A O no hydrogen 2.945 N/A LYS 40.A NZ TYR 68.A OH no hydrogen 3.324 N/A LEU 41.A N GLY 37.A O no hydrogen 3.189 N/A ARG 42.A N PRO 38.A O no hydrogen 2.935 N/A ARG 42.A NH1 PRO 33.A O no hydrogen 3.051 N/A ARG 42.A NH2 PRO 33.A O no hydrogen 3.323 N/A CYS 43.A N TRP 39.A O no hydrogen 3.067 N/A CYS 43.A SG TRP 39.A O no hydrogen 3.489 N/A LEU 44.A N LYS 40.A O no hydrogen 3.125 N/A ALA 45.A N LEU 41.A O no hydrogen 2.835 N/A GLN 46.A N ARG 42.A O no hydrogen 2.822 N/A THR 47.A N CYS 43.A O no hydrogen 3.324 N/A THR 47.A OG1 CYS 43.A O no hydrogen 2.971 N/A PHE 48.A N LEU 44.A O no hydrogen 3.124 N/A ALA 49.A N GLN 46.A O no hydrogen 3.132 N/A THR 50.A N THR 47.A O no hydrogen 2.957 N/A THR 50.A OG1 THR 47.A O no hydrogen 2.639 N/A GLY 51.A N PHE 48.A O no hydrogen 3.371 N/A THR 57.A OG1.A ARG 56.A O.A no hydrogen 2.270 N/A THR 57.A OG1.A ASP 159.A OD1 no hydrogen 3.207 N/A THR 57.A OG1.B ARG 56.A O.A no hydrogen 2.743 N/A THR 57.A OG1.B ASP 159.A OD1 no hydrogen 3.503 N/A LEU 58.A N ASP 79.A O no hydrogen 2.877 N/A ILE 59.A N ALA 160.A O no hydrogen 3.236 N/A ASP 60.A N THR 81.A O no hydrogen 2.863 N/A ILE 61.A N VAL 162.A O no hydrogen 2.833 N/A GLY 62.A N THR 83.A OG1 no hydrogen 3.152 N/A SER 63.A N THR 83.A O no hydrogen 2.669 N/A SER 63.A OG ASP 60.A O no hydrogen 3.090 N/A SER 63.A OG ASP 60.A OD2 no hydrogen 2.591 N/A SER 63.A OG THR 83.A O no hydrogen 3.042 N/A GLY 64.A N ASP 84.A OD1 no hydrogen 3.079 N/A THR 66.A N SER 63.A O no hydrogen 3.200 N/A THR 66.A OG1 SER 63.A O no hydrogen 3.327 N/A THR 66.A OG1 GLN 69.A OE1 no hydrogen 2.745 N/A TYR 68.A OH TYR 23.A OH no hydrogen 3.312 N/A GLN 69.A N GLN 69.A OE1 no hydrogen 2.644 N/A GLN 69.A NE2 ASP 60.A OD2 no hydrogen 3.063 N/A GLN 69.A NE2 SER 63.A O no hydrogen 3.456 N/A GLN 69.A NE2 THR 66.A O no hydrogen 2.951 N/A LEU 70.A N VAL 67.A O no hydrogen 2.813 N/A LEU 71.A N TYR 68.A O no hydrogen 3.173 N/A SER 72.A OG GLU 117.A OE2 no hydrogen 2.725 N/A CYS 74.A N LEU 70.A O no hydrogen 2.784 N/A CYS 74.A SG LEU 71.A O no hydrogen 3.259 N/A SER 75.A OG SER 72.A O no hydrogen 3.233 N/A SER 75.A OG HIS 76.A ND1 no hydrogen 3.125 N/A HIS 76.A N ALA 73.A O no hydrogen 2.965 N/A ASP 79.A N ARG 56.A O.B no hydrogen 2.824 N/A ILE 80.A N ARG 133.A O no hydrogen 2.670 N/A THR 81.A N LEU 58.A O no hydrogen 2.802 N/A MET 82.A N ARG 136.A O no hydrogen 3.086 N/A THR 83.A N SER 63.A OG no hydrogen 3.133 N/A THR 83.A OG1 ASP 60.A O no hydrogen 2.790 N/A ASP 84.A N LEU 138.A O no hydrogen 3.116 N/A LEU 86.A N ASP 84.A OD2 no hydrogen 3.303 N/A ARG 90.A N LEU 86.A O no hydrogen 3.342 N/A ARG 90.A NH1 ASP 84.A O no hydrogen 2.987 N/A ARG 90.A NH1 PHE 85.A O no hydrogen 3.265 N/A GLN 91.A N GLU 87.A O no hydrogen 2.981 N/A GLU 92.A N VAL 88.A O no hydrogen 3.055 N/A LEU 93.A N ASN 89.A O no hydrogen 2.848 N/A GLY 94.A N ARG 90.A O no hydrogen 3.070 N/A ARG 95.A N GLN 91.A O no hydrogen 2.936 N/A ARG 95.A NE GLU 92.A OE1 no hydrogen 3.497 N/A ARG 95.A NH2 GLU 92.A OE1 no hydrogen 3.222 N/A TRP 96.A N GLU 92.A O no hydrogen 3.280 N/A TRP 96.A N LEU 93.A O no hydrogen 3.221 N/A LEU 97.A N LEU 93.A O no hydrogen 2.929 N/A GLN 98.A N GLY 94.A O no hydrogen 2.799 N/A GLU 99.A N TRP 96.A O no hydrogen 3.187 N/A GLU 100.A N ARG 95.A O no hydrogen 2.822 N/A SER 107.A N ASN 105.A OD1 no hydrogen 3.402 N/A SER 107.A OG ASN 105.A OD1 no hydrogen 2.859 N/A SER 110.A N TRP 106.A O no hydrogen 3.037 N/A SER 110.A OG TRP 106.A O no hydrogen 3.133 N/A SER 110.A OG GLU 127.A OE2 no hydrogen 2.651 N/A GLN 111.A N SER 107.A O no hydrogen 2.862 N/A HIS 112.A N MET 108.A O no hydrogen 3.012 N/A ALA 113.A N TYR 109.A O no hydrogen 2.856 N/A CYS 114.A N SER 110.A O no hydrogen 2.893 N/A CYS 114.A SG SER 110.A O no hydrogen 3.312 N/A LEU 115.A N GLN 111.A O no hydrogen 2.763 N/A ILE 116.A N HIS 112.A O no hydrogen 2.825 N/A GLU 117.A N ALA 113.A O no hydrogen 2.985 N/A GLY 118.A N CYS 114.A O no hydrogen 3.265 N/A LYS 119.A NZ GLU 117.A OE1 no hydrogen 3.016 N/A CYS 122.A SG GLN 124.A OE1 no hydrogen 3.401 N/A GLN 124.A N GLN 124.A OE1 no hydrogen 2.564 N/A LYS 126.A N CYS 122.A O no hydrogen 3.472 N/A LYS 126.A NZ LEU 71.A O no hydrogen 3.051 N/A LYS 126.A NZ GLU 117.A OE1 no hydrogen 2.623 N/A LYS 126.A NZ GLU 117.A OE2 no hydrogen 2.798 N/A GLU 127.A N TRP 123.A O no hydrogen 3.013 N/A ARG 128.A N GLN 124.A O no hydrogen 3.017 N/A ARG 128.A NH2 ASP 125.A OD1 no hydrogen 2.722 N/A GLN 129.A N ASP 125.A O no hydrogen 2.752 N/A LEU 130.A N LYS 126.A O no hydrogen 3.038 N/A ARG 131.A N GLU 127.A O no hydrogen 2.814 N/A ARG 131.A NE TRP 96.A O no hydrogen 2.731 N/A ARG 131.A NH2 TRP 96.A O no hydrogen 2.930 N/A ALA 132.A N ARG 128.A O no hydrogen 3.009 N/A ARG 133.A N GLN 129.A O no hydrogen 3.120 N/A ARG 133.A NH1 CYS 74.A O no hydrogen 2.811 N/A VAL 134.A N LEU 130.A O no hydrogen 3.169 N/A LYS 135.A N ILE 80.A O no hydrogen 2.934 N/A LYS 135.A NZ ALA 132.A O no hydrogen 3.153 N/A ARG 136.A NH2 ASP 79.A OD2 no hydrogen 2.657 N/A ARG 136.A NH2 THR 81.A OG1 no hydrogen 3.086 N/A LEU 138.A N MET 82.A O no hydrogen 3.008 N/A HIS 143.A N ASP 141.A OD1 no hydrogen 2.751 N/A GLN 144.A N ASP 141.A O no hydrogen 2.862 N/A GLN 144.A N ASP 141.A OD1 no hydrogen 3.260 N/A ALA 158.A N LEU 187.A O no hydrogen 2.955 N/A ASP 159.A N THR 57.A O.A no hydrogen 3.416 N/A ASP 159.A N THR 57.A O.B no hydrogen 3.356 N/A ASP 159.A N THR 57.A OG1.B no hydrogen 3.281 N/A LEU 161.A N HIS 193.A O no hydrogen 2.602 N/A VAL 162.A N ILE 59.A O no hydrogen 2.934 N/A SER 163.A N LEU 195.A O no hydrogen 2.948 N/A SER 163.A OG ILE 61.A O no hydrogen 3.052 N/A PHE 165.A N ILE 197.A O no hydrogen 2.644 N/A ALA 169.A N CYS 166.A O no hydrogen 2.913 N/A VAL 170.A N LEU 167.A O no hydrogen 3.344 N/A SER 171.A OG LEU 167.A O no hydrogen 2.880 N/A SER 176.A N ASP 173.A OD1 no hydrogen 2.652 N/A SER 176.A OG GLN 3.A OE1.A no hydrogen 2.754 N/A SER 176.A OG HIS 143.A NE2 no hydrogen 3.426 N/A PHE 177.A N ASP 173.A O no hydrogen 2.971 N/A GLN 178.A N LEU 174.A O no hydrogen 2.876 N/A ARG 179.A N ALA 175.A O no hydrogen 2.906 N/A ARG 179.A NH1 GLN 3.A OE1.A no hydrogen 3.001 N/A ALA 180.A N SER 176.A O no hydrogen 2.964 N/A LEU 181.A N PHE 177.A O no hydrogen 2.896 N/A ASP 182.A N GLN 178.A O no hydrogen 3.307 N/A ASP 182.A N ARG 179.A O no hydrogen 2.863 N/A HIS 183.A N ARG 179.A O no hydrogen 3.061 N/A THR 185.A N LEU 181.A O no hydrogen 3.089 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.505 N/A THR 185.A OG1 TYR 231.A OH no hydrogen 3.213 N/A THR 186.A OG1 HIS 183.A O no hydrogen 3.068 N/A LEU 187.A N ILE 184.A O no hydrogen 3.024 N/A LEU 188.A N THR 185.A O no hydrogen 3.381 N/A ARG 189.A N ALA 158.A O no hydrogen 2.921 N/A ARG 189.A NH1 ASP 159.A O no hydrogen 3.544 N/A GLY 191.A N LYS 262.A O no hydrogen 2.550 N/A GLY 192.A N ARG 189.A O no hydrogen 2.833 N/A HIS 193.A N ASP 159.A O no hydrogen 3.162 N/A LEU 194.A N ALA 260.A O no hydrogen 2.565 N/A LEU 195.A N LEU 161.A O no hydrogen 2.734 N/A LEU 196.A N ALA 258.A O no hydrogen 2.756 N/A ILE 197.A N SER 163.A O no hydrogen 2.806 N/A GLY 198.A N PHE 256.A O no hydrogen 3.139 N/A ALA 199.A N GLU 168.A OE2 no hydrogen 3.120 N/A LEU 200.A N GLY 254.A O no hydrogen 2.940 N/A GLU 201.A N VAL 217.A O no hydrogen 2.851 N/A SER 203.A N ASP 251.A OD2 no hydrogen 2.910 N/A SER 203.A OG ASP 251.A OD1 no hydrogen 2.705 N/A TRP 204.A N ASP 251.A OD2 no hydrogen 3.260 N/A TYR 205.A N LEU 212.A O no hydrogen 3.311 N/A TYR 205.A OH TYR 10.A OH no hydrogen 2.655 N/A LEU 206.A N VAL 249.A O no hydrogen 2.875 N/A ALA 207.A N ALA 210.A O no hydrogen 2.882 N/A GLU 209.A N GLU 14.A OE2 no hydrogen 2.821 N/A ALA 210.A N ALA 207.A O no hydrogen 3.432 N/A LEU 212.A N TYR 205.A O no hydrogen 2.946 N/A VAL 214.A N SER 203.A O no hydrogen 2.720 N/A VAL 215.A N GLU 168.A O no hydrogen 3.254 N/A SER 218.A N GLU 221.A OE2 no hydrogen 3.013 N/A GLU 221.A N SER 218.A OG no hydrogen 2.966 N/A VAL 222.A N SER 218.A O no hydrogen 3.013 N/A ARG 223.A N GLU 219.A O no hydrogen 2.947 N/A GLU 224.A N GLU 220.A O no hydrogen 3.094 N/A ALA 225.A N GLU 221.A O no hydrogen 3.098 N/A LEU 226.A N VAL 222.A O no hydrogen 3.005 N/A VAL 227.A N ARG 223.A O no hydrogen 3.049 N/A ARG 228.A N GLU 224.A O no hydrogen 3.111 N/A SER 229.A N LEU 226.A O no hydrogen 3.134 N/A SER 229.A OG GLN 178.A OE1 no hydrogen 3.020 N/A SER 229.A OG ASP 182.A OD1 no hydrogen 2.787 N/A SER 229.A OG ALA 225.A O no hydrogen 3.328 N/A GLY 230.A N VAL 227.A O no hydrogen 2.451 N/A TYR 231.A N LEU 226.A O no hydrogen 3.136 N/A TYR 231.A OH THR 185.A OG1 no hydrogen 3.213 N/A LYS 232.A N GLN 261.A O no hydrogen 2.901 N/A ARG 234.A N TRP 259.A O no hydrogen 2.685 N/A ARG 234.A NH2 GLU 52.A OE1 no hydrogen 2.813 N/A ASP 235.A N TRP 259.A O no hydrogen 2.989 N/A ARG 237.A N PHE 257.A O no hydrogen 2.799 N/A ARG 237.A NE ASP 235.A OD2 no hydrogen 3.219 N/A ARG 237.A NH1 GLN 46.A OE1 no hydrogen 3.065 N/A ARG 237.A NH2 GLN 46.A OE1 no hydrogen 2.763 N/A THR 238.A OG1 GLU 219.A OE2 no hydrogen 2.586 N/A TYR 239.A N VAL 255.A O no hydrogen 2.695 N/A TYR 239.A OH ASN 34.A O no hydrogen 2.644 N/A MET 241.A N LYS 253.A O no hydrogen 3.071 N/A LEU 245.A N PRO 242.A O no hydrogen 2.973 N/A GLN 246.A N ALA 243.A O no hydrogen 2.987 N/A GLN 246.A NE2 MET 241.A O no hydrogen 3.182 N/A VAL 252.A N ASP 250.A OD1 no hydrogen 3.152 N/A LYS 253.A N LEU 200.A O no hydrogen 3.112 N/A LYS 253.A NZ GLU 201.A O no hydrogen 3.410 N/A LYS 253.A NZ ASP 251.A O no hydrogen 2.703 N/A VAL 255.A N TYR 239.A O no hydrogen 2.703 N/A PHE 256.A N GLY 198.A O no hydrogen 2.911 N/A PHE 257.A N ARG 237.A O no hydrogen 2.811 N/A ALA 258.A N LEU 196.A O no hydrogen 2.628 N/A TRP 259.A N ASP 235.A O no hydrogen 2.708 N/A TRP 259.A NE1 HIS 193.A ND1 no hydrogen 3.084 N/A ALA 260.A N LEU 194.A O no hydrogen 2.799 N/A GLN 261.A NE2 GLY 191.A O no hydrogen 2.872 N/A LYS 262.A N GLY 192.A O no hydrogen 2.879 N/A LYS 262.A NZ THR 185.A O no hydrogen 2.931 N/A LYS 262.A NZ LEU 188.A O no hydrogen 2.837 N/A VAL 263.A N GLY 230.A O no hydrogen 3.113 N/A