Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xta_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 1.A O no hydrogen 3.199 N/A ALA 6.A N ALA 2.A O no hydrogen 3.133 N/A LEU 7.A N ASP 3.A O no hydrogen 2.884 N/A ALA 8.A N LEU 4.A O no hydrogen 2.864 N/A LYS 9.A N ARG 5.A O no hydrogen 2.959 N/A HIS 10.A N ALA 6.A O no hydrogen 3.190 N/A HIS 10.A NE2 SER 81.A O no hydrogen 2.680 N/A LEU 11.A N LEU 7.A O no hydrogen 3.170 N/A TYR 12.A N ALA 8.A O no hydrogen 3.054 N/A ASP 13.A N LYS 9.A O no hydrogen 2.835 N/A SER 14.A N HIS 10.A O no hydrogen 2.986 N/A SER 14.A OG SER 81.A OG no hydrogen 2.333 N/A TYR 15.A N LEU 11.A O no hydrogen 2.771 N/A TYR 15.A OH ASP 158.A OD1 no hydrogen 2.899 N/A ILE 16.A N TYR 12.A O no hydrogen 2.831 N/A LYS 17.A N ASP 13.A O no hydrogen 2.934 N/A SER 18.A N TYR 15.A O no hydrogen 3.091 N/A SER 18.A OG SER 14.A O no hydrogen 2.668 N/A PHE 19.A N TYR 15.A O no hydrogen 2.987 N/A LYS 23.A N ASP 158.A OD1 no hydrogen 2.892 N/A LYS 23.A NZ LEU 156.A O no hydrogen 2.532 N/A ALA 24.A N ASP 158.A OD2 no hydrogen 3.053 N/A LYS 25.A N THR 22.A OG1 no hydrogen 3.344 N/A LYS 25.A NZ ASP 36.A OD1 no hydrogen 3.429 N/A ALA 26.A N THR 22.A O no hydrogen 3.065 N/A ARG 27.A N LYS 23.A O no hydrogen 2.909 N/A ALA 28.A N ALA 24.A O no hydrogen 3.143 N/A ILE 29.A N LYS 25.A O no hydrogen 2.963 N/A LEU 30.A N ALA 26.A O no hydrogen 3.102 N/A THR 31.A N ARG 27.A O no hydrogen 2.872 N/A THR 31.A OG1 ARG 27.A O no hydrogen 3.117 N/A LYS 33.A N ALA 28.A O no hydrogen 3.019 N/A THR 35.A OG1 ASP 36.A OD2 no hydrogen 3.498 N/A PHE 40.A N GLN 124.A O no hydrogen 3.026 N/A ILE 42.A N PHE 126.A O no hydrogen 2.833 N/A TYR 43.A N SER 47.A OG no hydrogen 2.944 N/A ASP 44.A N SER 47.A OG no hydrogen 2.971 N/A SER 47.A N ASP 44.A OD1 no hydrogen 2.597 N/A SER 47.A OG ASP 44.A O no hydrogen 3.105 N/A SER 47.A OG ASP 44.A OD1 no hydrogen 2.821 N/A LEU 48.A N ASP 44.A O no hydrogen 2.600 N/A MET 49.A N MET 45.A O no hydrogen 3.202 N/A MET 50.A N ASN 46.A O no hydrogen 3.025 N/A GLY 51.A N LEU 48.A O no hydrogen 3.124 N/A ARG 59.A N GLU 55.A O no hydrogen 3.198 N/A ILE 60.A N VAL 56.A O no hydrogen 2.912 N/A PHE 61.A N ALA 57.A O no hydrogen 3.233 N/A GLN 62.A N ILE 58.A O no hydrogen 3.051 N/A GLY 63.A N ARG 59.A O no hydrogen 3.115 N/A CYS 64.A N ILE 60.A O no hydrogen 2.910 N/A CYS 64.A SG.B ILE 60.A O no hydrogen 3.500 N/A GLN 65.A N PHE 61.A O no hydrogen 2.764 N/A PHE 66.A N GLN 62.A O no hydrogen 2.890 N/A ARG 67.A N GLY 63.A O no hydrogen 3.004 N/A SER 68.A N CYS 64.A O no hydrogen 2.865 N/A SER 68.A OG CYS 64.A O no hydrogen 2.481 N/A VAL 69.A N GLN 65.A O no hydrogen 3.068 N/A GLU 70.A N PHE 66.A O no hydrogen 3.408 N/A ALA 71.A N ARG 67.A O no hydrogen 3.020 N/A VAL 72.A N SER 68.A O no hydrogen 2.927 N/A GLN 73.A N VAL 69.A O no hydrogen 3.083 N/A GLU 74.A N GLU 70.A O no hydrogen 2.888 N/A ILE 75.A N ALA 71.A O no hydrogen 2.777 N/A THR 76.A N VAL 72.A O no hydrogen 2.763 N/A THR 76.A OG1 VAL 72.A O no hydrogen 2.796 N/A GLU 77.A N GLN 73.A O no hydrogen 2.995 N/A TYR 78.A N GLU 74.A O no hydrogen 2.957 N/A TYR 78.A OH ALA 162.A O no hydrogen 2.535 N/A ALA 79.A N ILE 75.A O no hydrogen 2.921 N/A LYS 80.A N THR 76.A O no hydrogen 3.269 N/A SER 81.A N TYR 78.A O no hydrogen 3.077 N/A SER 81.A OG SER 14.A OG no hydrogen 2.333 N/A SER 81.A OG TYR 78.A O no hydrogen 2.659 N/A ILE 82.A N ALA 79.A O no hydrogen 2.931 N/A PHE 85.A N ILE 82.A O no hydrogen 3.028 N/A ASN 87.A N GLY 84.A O no hydrogen 3.210 N/A LEU 88.A N PHE 85.A O no hydrogen 3.185 N/A ASN 91.A N ASP 89.A OD1 no hydrogen 3.059 N/A ASN 91.A ND2 ASP 89.A OD1 no hydrogen 3.015 N/A ASP 92.A N ASP 89.A O no hydrogen 3.032 N/A GLN 93.A N ASP 89.A O no hydrogen 3.114 N/A GLN 93.A NE2 VAL 86.A O no hydrogen 3.441 N/A GLN 93.A NE2 LEU 88.A O no hydrogen 2.361 N/A VAL 94.A N LEU 90.A O no hydrogen 3.137 N/A THR 95.A N ASN 91.A O no hydrogen 2.992 N/A THR 95.A OG1 ASN 91.A O no hydrogen 2.839 N/A LEU 96.A N ASP 92.A O no hydrogen 2.725 N/A LEU 97.A N GLN 93.A O no hydrogen 3.166 N/A LYS 98.A N VAL 94.A O no hydrogen 2.935 N/A TYR 99.A N THR 95.A O no hydrogen 3.239 N/A GLY 100.A N LEU 97.A O no hydrogen 2.951 N/A VAL 101.A N LEU 97.A O no hydrogen 3.019 N/A ILE 104.A N GLY 100.A O no hydrogen 3.071 N/A ILE 105.A N VAL 101.A O no hydrogen 2.780 N/A TYR 106.A N HIS 102.A O no hydrogen 3.135 N/A THR 107.A N GLU 103.A O no hydrogen 3.377 N/A THR 107.A OG1 GLU 103.A O no hydrogen 2.847 N/A MET 108.A N ILE 104.A O no hydrogen 3.005 N/A LEU 109.A N ILE 105.A O no hydrogen 2.709 N/A ALA 110.A N TYR 106.A O no hydrogen 3.197 N/A SER 111.A N MET 108.A O no hydrogen 2.993 N/A LEU 112.A N LEU 109.A O no hydrogen 2.844 N/A MET 113.A N ALA 110.A O no hydrogen 3.227 N/A ASN 114.A N GLY 117.A O no hydrogen 2.882 N/A ASP 116.A N ASN 114.A OD1 no hydrogen 2.820 N/A GLY 117.A N ASN 114.A O no hydrogen 3.142 N/A VAL 118.A N MET 127.A O no hydrogen 2.932 N/A LEU 119.A N LEU 112.A O no hydrogen 2.698 N/A ILE 120.A N GLY 125.A O no hydrogen 2.803 N/A GLN 124.A N SER 121.A O no hydrogen 3.183 N/A GLY 125.A N ILE 120.A O no hydrogen 2.853 N/A PHE 126.A N PHE 40.A O no hydrogen 2.907 N/A MET 127.A N VAL 118.A O no hydrogen 2.962 N/A THR 128.A N ILE 42.A O no hydrogen 2.890 N/A THR 128.A OG1 ILE 42.A O no hydrogen 3.347 N/A ARG 129.A N ASP 116.A O no hydrogen 2.958 N/A ARG 129.A NE GLU 142.A OE1 no hydrogen 3.257 N/A ARG 129.A NE GLU 142.A OE2 no hydrogen 3.068 N/A ARG 129.A NH1 LYS 115.A O no hydrogen 3.272 N/A ARG 129.A NH2 GLU 142.A OE2 no hydrogen 2.576 N/A LEU 132.A N THR 128.A O no hydrogen 3.231 N/A LYS 133.A N ARG 129.A O no hydrogen 2.857 N/A LYS 133.A NZ GLU 142.A OE1 no hydrogen 2.761 N/A LYS 133.A NZ GLU 142.A OE2 no hydrogen 2.925 N/A SER 134.A N GLU 130.A O no hydrogen 2.841 N/A SER 134.A OG PHE 131.A O no hydrogen 2.972 N/A LEU 135.A N LEU 132.A O no hydrogen 3.140 N/A PHE 145.A N MET 141.A O no hydrogen 3.014 N/A GLU 146.A N GLU 142.A O no hydrogen 3.143 N/A PHE 147.A N PRO 143.A O no hydrogen 2.998 N/A ALA 148.A N LYS 144.A O no hydrogen 2.997 N/A VAL 149.A N PHE 145.A O no hydrogen 2.965 N/A LYS 150.A N GLU 146.A O no hydrogen 3.208 N/A PHE 151.A N PHE 147.A O no hydrogen 2.524 N/A ASN 152.A N ALA 148.A O no hydrogen 2.698 N/A ASN 152.A ND2 ALA 110.A O no hydrogen 2.918 N/A ALA 153.A N LYS 150.A O no hydrogen 3.387 N/A LEU 154.A N PHE 151.A O no hydrogen 3.121 N/A GLU 155.A N ASN 152.A O no hydrogen 3.135 N/A ASP 157.A N ASP 160.A OD2 no hydrogen 2.731 N/A SER 159.A N ASP 157.A OD1 no hydrogen 3.218 N/A SER 159.A OG ASP 157.A OD1 no hydrogen 2.764 N/A ASP 160.A N ASP 157.A O no hydrogen 3.146 N/A ASP 160.A N ASP 157.A OD1 no hydrogen 3.211 N/A LEU 161.A N ASP 157.A O no hydrogen 3.115 N/A ALA 162.A N ASP 158.A O no hydrogen 2.998 N/A PHE 164.A N ASP 160.A O no hydrogen 3.043 N/A ILE 165.A N LEU 161.A O no hydrogen 2.812 N/A ALA 166.A N ALA 162.A O no hydrogen 3.258 N/A VAL 167.A N ILE 163.A O no hydrogen 2.969 N/A ILE 168.A N PHE 164.A O no hydrogen 3.104 N/A ILE 169.A N ILE 165.A O no hydrogen 3.117 N/A LEU 170.A N ALA 166.A O no hydrogen 3.079 N/A SER 171.A N ILE 169.A O no hydrogen 2.908 N/A SER 171.A OG ILE 168.A O no hydrogen 2.801 N/A ARG 174.A N SER 171.A O no hydrogen 3.072 N/A LEU 178.A N ASP 92.A OD1 no hydrogen 2.782 N/A ASN 179.A N ASP 92.A OD2 no hydrogen 2.974 N/A LYS 181.A NZ ASP 185.A OD1 no hydrogen 3.303 N/A GLU 184.A N VAL 180.A O no hydrogen 3.002 N/A ASP 185.A N LYS 181.A O no hydrogen 2.873 N/A ILE 186.A N PRO 182.A O no hydrogen 2.973 N/A GLN 187.A N ILE 183.A O no hydrogen 2.920 N/A ASP 188.A N GLU 184.A O no hydrogen 2.856 N/A ASN 189.A N ASP 185.A O no hydrogen 3.371 N/A LEU 190.A N ILE 186.A O no hydrogen 2.980 N/A LEU 191.A N GLN 187.A O no hydrogen 2.596 N/A GLN 192.A N ASP 188.A O no hydrogen 2.997 N/A ALA 193.A N ASN 189.A O no hydrogen 3.053 N/A LEU 194.A N LEU 190.A O no hydrogen 2.817 N/A GLU 195.A N LEU 191.A O no hydrogen 2.864 N/A LEU 196.A N GLN 192.A O no hydrogen 3.213 N/A GLN 197.A N ALA 193.A O no hydrogen 2.948 N/A GLN 197.A NE2 ASP 160.A OD1 no hydrogen 2.619 N/A LEU 198.A N LEU 194.A O no hydrogen 2.908 N/A LYS 199.A N GLU 195.A O no hydrogen 3.059 N/A LEU 200.A N LEU 196.A O no hydrogen 2.825 N/A LEU 200.A N GLN 197.A O no hydrogen 3.224 N/A ASN 201.A N GLN 197.A O no hydrogen 2.741 N/A ASN 201.A ND2 ASP 157.A OD2 no hydrogen 2.792 N/A ASN 201.A ND2 ASP 160.A OD1 no hydrogen 3.199 N/A ASN 201.A ND2 ASP 160.A OD2 no hydrogen 3.494 N/A HIS 202.A N LEU 198.A O no hydrogen 3.067 N/A HIS 202.A NE2 ASP 160.A OD2 no hydrogen 2.649 N/A SER 205.A N HIS 202.A O no hydrogen 2.878 N/A LYS 211.A N GLN 207.A O no hydrogen 2.699 N/A LEU 212.A N LEU 208.A O no hydrogen 2.629 N/A LEU 212.A N PHE 209.A O no hydrogen 3.001 N/A LEU 213.A N PHE 209.A O no hydrogen 2.946 N/A GLN 214.A N ALA 210.A O no hydrogen 3.063 N/A LYS 215.A NZ LYS 211.A O no hydrogen 3.131 N/A MET 216.A N LEU 213.A O no hydrogen 2.974 N/A THR 217.A N GLN 214.A O no hydrogen 2.847 N/A LEU 219.A N LYS 215.A O no hydrogen 3.156 N/A ARG 220.A N MET 216.A O no hydrogen 3.209 N/A ARG 220.A NE GLU 103.A OE2 no hydrogen 2.877 N/A ARG 220.A NH2 ASP 173.A OD2 no hydrogen 2.797 N/A GLN 221.A N THR 217.A O no hydrogen 3.156 N/A ILE 222.A N ASP 218.A O no hydrogen 2.947 N/A VAL 223.A N LEU 219.A O no hydrogen 3.080 N/A THR 224.A N ARG 220.A O no hydrogen 3.054 N/A THR 224.A OG1 ARG 220.A O no hydrogen 2.895 N/A THR 224.A OG1 GLN 221.A O no hydrogen 2.606 N/A GLU 225.A N GLN 221.A O no hydrogen 3.163 N/A HIS 226.A N ILE 222.A O no hydrogen 2.876 N/A VAL 227.A N VAL 223.A O no hydrogen 2.992 N/A GLN 228.A N THR 224.A O no hydrogen 3.177 N/A LEU 229.A N GLU 225.A O no hydrogen 3.196 N/A LEU 230.A N HIS 226.A O no hydrogen 3.012 N/A GLN 231.A N VAL 227.A O no hydrogen 3.029 N/A VAL 232.A N GLN 228.A O no hydrogen 3.134 N/A VAL 232.A N LEU 229.A O no hydrogen 3.000 N/A ILE 233.A N LEU 229.A O no hydrogen 2.959 N/A LYS 234.A N LEU 230.A O no hydrogen 3.036 N/A LYS 235.A N VAL 232.A O no hydrogen 3.178 N/A THR 236.A N ILE 233.A O no hydrogen 3.209 N/A THR 236.A OG1 VAL 232.A O no hydrogen 3.221 N/A THR 236.A OG1 ILE 233.A O no hydrogen 3.179 N/A THR 236.A OG1 GLU 237.A OE1 no hydrogen 2.979 N/A GLU 237.A N ILE 233.A O no hydrogen 2.924 N/A LEU 243.A N HIS 241.A ND1 no hydrogen 3.083 N/A GLN 245.A N HIS 241.A O no hydrogen 2.464 N/A GLU 246.A N PRO 242.A O no hydrogen 3.208 N/A ILE 247.A N LEU 243.A O no hydrogen 3.134 N/A TYR 248.A N LEU 244.A O no hydrogen 3.098 N/A