Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8b91_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 HIS 1.A NE2 no hydrogen 3.535 N/A ASN 5.A N SER 8.A OG no hydrogen 3.112 N/A SER 8.A N ASN 5.A OD1 no hydrogen 2.906 N/A SER 8.A OG GLN 3.A O no hydrogen 3.312 N/A SER 8.A OG ASN 5.A O no hydrogen 3.026 N/A ALA 9.A N ASN 5.A O no hydrogen 3.093 N/A ASP 10.A N PRO 6.A O no hydrogen 2.995 N/A LEU 11.A N GLU 7.A O no hydrogen 3.123 N/A ARG 12.A N SER 8.A O no hydrogen 2.840 N/A ARG 12.A NH1 GLN 213.A OE1 no hydrogen 3.037 N/A ARG 12.A NH2 GLN 213.A OE1 no hydrogen 2.827 N/A ALA 13.A N ALA 9.A O no hydrogen 3.002 N/A LEU 14.A N ASP 10.A O no hydrogen 2.938 N/A ALA 15.A N LEU 11.A O no hydrogen 2.937 N/A LYS 16.A N ARG 12.A O no hydrogen 2.827 N/A LYS 16.A NZ ASP 20.A OD2 no hydrogen 3.160 N/A HIS 17.A N ALA 13.A O no hydrogen 2.803 N/A LEU 18.A N LEU 14.A O no hydrogen 2.900 N/A TYR 19.A N ALA 15.A O no hydrogen 2.973 N/A ASP 20.A N LYS 16.A O no hydrogen 2.898 N/A SER 21.A N HIS 17.A O no hydrogen 3.075 N/A SER 21.A OG SER 95.A OG no hydrogen 2.358 N/A TYR 22.A N LEU 18.A O no hydrogen 2.843 N/A TYR 22.A OH ASP 174.A OD1 no hydrogen 3.025 N/A ILE 23.A N TYR 19.A O no hydrogen 2.948 N/A LYS 24.A N ASP 20.A O no hydrogen 3.093 N/A SER 25.A N SER 21.A O no hydrogen 3.052 N/A SER 25.A N TYR 22.A O no hydrogen 3.223 N/A SER 25.A OG SER 21.A O no hydrogen 2.853 N/A PHE 26.A N TYR 22.A O no hydrogen 2.966 N/A LYS 30.A N ASP 174.A OD1 no hydrogen 2.862 N/A LYS 30.A NZ LEU 172.A O no hydrogen 2.725 N/A ALA 31.A N ASP 174.A OD2 no hydrogen 3.042 N/A LYS 32.A N THR 29.A OG1 no hydrogen 3.230 N/A LYS 32.A NZ ASP 43.A OD2 no hydrogen 2.613 N/A ALA 33.A N THR 29.A O no hydrogen 3.013 N/A ARG 34.A N LYS 30.A O no hydrogen 2.767 N/A ARG 34.A NH1 MET 127.A O no hydrogen 3.303 N/A ARG 34.A NH2 SER 125.A O no hydrogen 2.907 N/A ARG 34.A NH2 MET 127.A O no hydrogen 2.521 N/A ALA 35.A N ALA 31.A O no hydrogen 3.043 N/A ILE 36.A N LYS 32.A O no hydrogen 2.955 N/A LEU 37.A N ALA 33.A O no hydrogen 2.740 N/A THR 38.A N ARG 34.A O no hydrogen 2.875 N/A THR 38.A OG1 ARG 34.A O no hydrogen 2.749 N/A GLY 39.A N ILE 36.A O no hydrogen 3.076 N/A LYS 40.A N ALA 35.A O no hydrogen 2.862 N/A ASP 43.A N THR 41.A OG1 no hydrogen 3.000 N/A LYS 44.A N ASP 43.A OD1 no hydrogen 2.822 N/A PHE 47.A N GLN 138.A O no hydrogen 2.899 N/A ILE 49.A N PHE 140.A O no hydrogen 2.724 N/A TYR 50.A N SER 54.A OG no hydrogen 2.782 N/A ASP 51.A N SER 54.A OG no hydrogen 2.821 N/A SER 54.A N ASP 51.A OD1 no hydrogen 2.788 N/A SER 54.A OG ASP 51.A O no hydrogen 2.863 N/A SER 54.A OG ASP 51.A OD1 no hydrogen 2.765 N/A LEU 55.A N ASP 51.A O no hydrogen 2.876 N/A MET 56.A N MET 52.A O no hydrogen 2.977 N/A MET 57.A N ASN 53.A O no hydrogen 3.103 N/A GLY 58.A N SER 54.A O no hydrogen 2.880 N/A GLU 59.A N LEU 55.A O no hydrogen 2.834 N/A LYS 61.A N MET 57.A O no hydrogen 3.082 N/A LYS 61.A N GLY 58.A O no hydrogen 3.120 N/A ILE 62.A N GLY 58.A O no hydrogen 2.806 N/A LYS 65.A NZ GLU 84.A OE1 no hydrogen 3.013 N/A ILE 72.A N GLU 69.A O no hydrogen 3.245 N/A ARG 73.A N GLU 69.A O no hydrogen 3.088 N/A ARG 73.A NE GLU 59.A OE1 no hydrogen 3.060 N/A ARG 73.A NE GLU 59.A OE2 no hydrogen 2.979 N/A ARG 73.A NH1 SER 67.A O no hydrogen 2.572 N/A ARG 73.A NH2 GLU 59.A OE2 no hydrogen 2.435 N/A ILE 74.A N VAL 70.A O no hydrogen 3.020 N/A PHE 75.A N ALA 71.A O no hydrogen 3.246 N/A GLN 76.A N ILE 72.A O no hydrogen 2.906 N/A GLY 77.A N ARG 73.A O no hydrogen 3.230 N/A ALA 78.A N ILE 74.A O no hydrogen 3.038 N/A GLN 79.A N PHE 75.A O no hydrogen 2.895 N/A PHE 80.A N GLN 76.A O no hydrogen 2.826 N/A ARG 81.A N GLY 77.A O no hydrogen 3.118 N/A ARG 81.A NH2 ARG 81.A O no hydrogen 3.119 N/A ARG 81.A NH2 GLU 88.A OE1 no hydrogen 3.315 N/A SER 82.A N ALA 78.A O no hydrogen 2.990 N/A SER 82.A OG ALA 78.A O no hydrogen 3.327 N/A VAL 83.A N GLN 79.A O no hydrogen 3.159 N/A GLU 84.A N PHE 80.A O no hydrogen 3.254 N/A ALA 85.A N ARG 81.A O no hydrogen 2.992 N/A VAL 86.A N SER 82.A O no hydrogen 3.059 N/A GLN 87.A N VAL 83.A O no hydrogen 3.369 N/A GLU 88.A N GLU 84.A O no hydrogen 3.174 N/A ILE 89.A N ALA 85.A O no hydrogen 2.892 N/A THR 90.A N VAL 86.A O no hydrogen 2.972 N/A THR 90.A OG1 VAL 86.A O no hydrogen 2.691 N/A GLU 91.A N GLN 87.A O no hydrogen 2.931 N/A TYR 92.A N GLU 88.A O no hydrogen 2.936 N/A TYR 92.A OH ALA 178.A O no hydrogen 2.652 N/A ALA 93.A N ILE 89.A O no hydrogen 2.829 N/A LYS 94.A N THR 90.A O no hydrogen 3.076 N/A LYS 94.A N GLU 91.A O no hydrogen 3.214 N/A LYS 94.A NZ GLU 91.A OE2 no hydrogen 2.954 N/A SER 95.A N TYR 92.A O no hydrogen 2.970 N/A SER 95.A OG SER 21.A OG no hydrogen 2.358 N/A SER 95.A OG TYR 92.A O no hydrogen 2.498 N/A ILE 96.A N ALA 93.A O no hydrogen 3.082 N/A PHE 99.A N ILE 96.A O no hydrogen 2.910 N/A ASN 101.A N GLY 98.A O no hydrogen 3.334 N/A LEU 102.A N PHE 99.A O no hydrogen 3.285 N/A ASP 106.A N ASP 103.A O no hydrogen 2.639 N/A GLN 107.A N ASP 103.A O no hydrogen 3.073 N/A GLN 107.A NE2 VAL 100.A O no hydrogen 3.315 N/A GLN 107.A NE2 LEU 102.A O no hydrogen 2.760 N/A VAL 108.A N LEU 104.A O no hydrogen 2.900 N/A THR 109.A N ASN 105.A O no hydrogen 3.108 N/A THR 109.A OG1 ASN 105.A O no hydrogen 2.686 N/A LEU 110.A N ASP 106.A O no hydrogen 2.838 N/A LEU 111.A N GLN 107.A O no hydrogen 3.316 N/A LYS 112.A N VAL 108.A O no hydrogen 2.767 N/A TYR 113.A N THR 109.A O no hydrogen 3.016 N/A GLY 114.A N LEU 111.A O no hydrogen 3.258 N/A VAL 115.A N LEU 111.A O no hydrogen 3.119 N/A ILE 118.A N GLY 114.A O no hydrogen 3.093 N/A ILE 119.A N VAL 115.A O no hydrogen 2.714 N/A TYR 120.A N.A HIS 116.A O no hydrogen 3.108 N/A TYR 120.A N.B HIS 116.A O no hydrogen 3.080 N/A THR 121.A N GLU 117.A O no hydrogen 3.122 N/A THR 121.A OG1 GLU 117.A O no hydrogen 2.682 N/A MET 122.A N ILE 118.A O no hydrogen 2.874 N/A LEU 123.A N ILE 119.A O no hydrogen 2.708 N/A ALA 124.A N TYR 120.A O.B no hydrogen 3.171 N/A ALA 124.A N THR 121.A O no hydrogen 3.236 N/A SER 125.A N MET 122.A O no hydrogen 3.030 N/A LEU 126.A N LEU 123.A O no hydrogen 2.834 N/A MET 127.A N ALA 124.A O no hydrogen 3.063 N/A ASN 128.A N GLY 131.A O no hydrogen 2.948 N/A ASP 130.A N ASN 128.A OD1 no hydrogen 2.857 N/A GLY 131.A N ASN 128.A O no hydrogen 3.375 N/A GLY 131.A N ASN 128.A OD1 no hydrogen 3.016 N/A VAL 132.A N MET 141.A O no hydrogen 2.943 N/A LEU 133.A N LEU 126.A O no hydrogen 2.894 N/A ILE 134.A N GLY 139.A O no hydrogen 2.811 N/A SER 135.A OG LYS 63.A O no hydrogen 3.103 N/A SER 135.A OG GLN 138.A OE1 no hydrogen 3.249 N/A GLY 137.A N ILE 134.A O no hydrogen 2.980 N/A GLN 138.A N SER 135.A O no hydrogen 3.020 N/A GLN 138.A NE2 LYS 63.A O no hydrogen 3.142 N/A GLY 139.A N ILE 134.A O no hydrogen 3.083 N/A PHE 140.A N PHE 47.A O no hydrogen 2.894 N/A MET 141.A N VAL 132.A O no hydrogen 3.012 N/A THR 142.A N ILE 49.A O no hydrogen 3.079 N/A ARG 143.A N ASP 130.A O no hydrogen 2.789 N/A ARG 143.A NE GLU 158.A OE1 no hydrogen 2.688 N/A ARG 143.A NH2 GLU 158.A OE1 no hydrogen 3.409 N/A ARG 143.A NH2 GLU 158.A OE2 no hydrogen 2.704 N/A ARG 143.A NH2 GLU 162.A OE2 no hydrogen 2.945 N/A PHE 145.A N THR 142.A OG1 no hydrogen 3.117 N/A LEU 146.A N THR 142.A O no hydrogen 3.300 N/A LYS 147.A N ARG 143.A O no hydrogen 3.043 N/A LYS 147.A NZ GLU 144.A OE1 no hydrogen 3.281 N/A LYS 147.A NZ GLU 144.A OE2 no hydrogen 3.149 N/A SER 148.A N GLU 144.A O no hydrogen 3.005 N/A SER 148.A N PHE 145.A O no hydrogen 3.124 N/A SER 148.A OG PHE 145.A O no hydrogen 2.688 N/A LEU 149.A N LEU 146.A O no hydrogen 3.216 N/A ARG 150.A NE GLU 69.A OE2 no hydrogen 2.462 N/A ARG 150.A NH1 LYS 151.A O no hydrogen 2.811 N/A ARG 150.A NH1 GLU 253.A OE2 no hydrogen 3.485 N/A ARG 150.A NH2 GLU 69.A OE1 no hydrogen 2.953 N/A ARG 150.A NH2 GLU 69.A OE2 no hydrogen 3.108 N/A ARG 150.A NH2 GLU 253.A OE1 no hydrogen 2.803 N/A PHE 153.A N ARG 150.A O no hydrogen 3.001 N/A GLY 154.A N ARG 150.A O no hydrogen 3.376 N/A PHE 156.A N PHE 153.A O no hydrogen 3.034 N/A LYS 160.A N MET 157.A O no hydrogen 2.922 N/A LYS 160.A NZ TYR 120.A OH.B no hydrogen 2.555 N/A LYS 160.A NZ PHE 156.A O no hydrogen 2.762 N/A LYS 160.A NZ HIS 242.A ND1 no hydrogen 2.783 N/A PHE 161.A N MET 157.A O no hydrogen 3.249 N/A GLU 162.A N GLU 158.A O no hydrogen 3.060 N/A PHE 163.A N PRO 159.A O no hydrogen 3.168 N/A ALA 164.A N LYS 160.A O no hydrogen 2.833 N/A VAL 165.A N PHE 161.A O no hydrogen 2.810 N/A LYS 166.A N GLU 162.A O no hydrogen 3.513 N/A PHE 167.A N PHE 163.A O no hydrogen 2.831 N/A ASN 168.A N ALA 164.A O no hydrogen 2.717 N/A ASN 168.A ND2 ALA 124.A O no hydrogen 2.903 N/A LEU 170.A N PHE 167.A O no hydrogen 3.066 N/A GLU 171.A N ASN 168.A O no hydrogen 3.033 N/A ASP 173.A N ASP 176.A OD2 no hydrogen 2.879 N/A ASP 176.A N ASP 173.A OD1 no hydrogen 3.032 N/A LEU 177.A N ASP 173.A O no hydrogen 2.988 N/A ALA 178.A N ASP 174.A O no hydrogen 2.961 N/A PHE 180.A N ASP 176.A O no hydrogen 3.039 N/A ILE 181.A N LEU 177.A O no hydrogen 2.816 N/A ALA 182.A N ALA 178.A O no hydrogen 3.266 N/A VAL 183.A N ILE 179.A O no hydrogen 2.992 N/A ILE 184.A N PHE 180.A O no hydrogen 3.126 N/A ILE 185.A N ILE 181.A O no hydrogen 3.148 N/A LEU 186.A N ALA 182.A O no hydrogen 3.238 N/A SER 187.A OG ILE 184.A O no hydrogen 2.694 N/A ARG 190.A N SER 187.A O no hydrogen 3.482 N/A ARG 190.A NH1 GLU 117.A OE2 no hydrogen 3.029 N/A ARG 190.A NH2 GLU 117.A OE1 no hydrogen 3.185 N/A ARG 190.A NH2 ILE 184.A O no hydrogen 3.331 N/A LEU 194.A N ASP 106.A OD1 no hydrogen 2.940 N/A ASN 195.A N ASP 106.A OD2 no hydrogen 3.076 N/A LYS 197.A NZ ASP 201.A OD1 no hydrogen 3.436 N/A GLU 200.A N VAL 196.A O no hydrogen 2.968 N/A ASP 201.A N LYS 197.A O no hydrogen 2.931 N/A ILE 202.A N PRO 198.A O no hydrogen 3.392 N/A GLN 203.A N ILE 199.A O no hydrogen 2.952 N/A GLN 203.A NE2 VAL 183.A O no hydrogen 2.950 N/A ASP 204.A N.A GLU 200.A O no hydrogen 2.750 N/A ASP 204.A N.B GLU 200.A O no hydrogen 2.774 N/A ASN 205.A N ASP 201.A O no hydrogen 3.338 N/A LEU 206.A N ILE 202.A O no hydrogen 2.876 N/A LEU 207.A N GLN 203.A O no hydrogen 2.712 N/A GLN 208.A N ASP 204.A O.A no hydrogen 3.034 N/A GLN 208.A N ASP 204.A O.B no hydrogen 3.136 N/A GLN 208.A NE2 GLU 7.A OE2 no hydrogen 3.240 N/A ALA 209.A N ASN 205.A O no hydrogen 3.035 N/A LEU 210.A N LEU 206.A O no hydrogen 2.866 N/A GLU 211.A N LEU 207.A O no hydrogen 2.891 N/A LEU 212.A N GLN 208.A O no hydrogen 3.168 N/A GLN 213.A N ALA 209.A O no hydrogen 2.876 N/A GLN 213.A NE2 ASP 176.A OD1 no hydrogen 2.961 N/A LEU 214.A N LEU 210.A O no hydrogen 2.932 N/A LYS 215.A N GLU 211.A O no hydrogen 3.031 N/A LEU 216.A N LEU 212.A O no hydrogen 2.894 N/A ASN 217.A N GLN 213.A O no hydrogen 2.870 N/A ASN 217.A ND2 ASP 173.A OD2 no hydrogen 2.796 N/A ASN 217.A ND2 ASP 176.A OD1 no hydrogen 3.160 N/A ASN 217.A ND2 ASP 176.A OD2 no hydrogen 3.307 N/A HIS 218.A N LEU 214.A O no hydrogen 2.941 N/A HIS 218.A NE2 GLU 171.A O no hydrogen 3.240 N/A SER 221.A N HIS 218.A O no hydrogen 3.418 N/A LEU 224.A N SER 221.A O no hydrogen 3.230 N/A LYS 227.A N GLN 223.A O no hydrogen 3.045 N/A LYS 227.A NZ GLN 223.A O no hydrogen 2.981 N/A LEU 228.A N LEU 224.A O no hydrogen 2.874 N/A LEU 229.A N PHE 225.A O no hydrogen 3.093 N/A GLN 230.A N ALA 226.A O no hydrogen 3.156 N/A LYS 231.A N LYS 227.A O no hydrogen 3.150 N/A MET 232.A N LEU 229.A O no hydrogen 3.122 N/A ASP 234.A N GLN 230.A O no hydrogen 3.215 N/A LEU 235.A N LYS 231.A O no hydrogen 2.967 N/A ARG 236.A N MET 232.A O no hydrogen 3.171 N/A ARG 236.A NH1 ASP 189.A OD1 no hydrogen 3.450 N/A ARG 236.A NH1 ASP 189.A OD2 no hydrogen 2.724 N/A ARG 236.A NH2 ASP 189.A OD1 no hydrogen 2.946 N/A ARG 236.A NH2 ASP 189.A OD2 no hydrogen 3.495 N/A GLN 237.A N ASP 234.A O no hydrogen 2.705 N/A ILE 238.A N ASP 234.A O no hydrogen 3.195 N/A VAL 239.A N LEU 235.A O no hydrogen 2.963 N/A THR 240.A N ARG 236.A O no hydrogen 3.091 N/A THR 240.A OG1 ARG 236.A O no hydrogen 3.108 N/A GLU 241.A N GLN 237.A O no hydrogen 3.058 N/A HIS 242.A N ILE 238.A O no hydrogen 2.973 N/A VAL 243.A N VAL 239.A O no hydrogen 2.815 N/A GLN 244.A N THR 240.A O no hydrogen 2.991 N/A LEU 245.A N GLU 241.A O no hydrogen 3.002 N/A LEU 246.A N HIS 242.A O no hydrogen 2.920 N/A GLN 247.A N VAL 243.A O no hydrogen 3.191 N/A ILE 249.A N LEU 245.A O no hydrogen 3.198 N/A LYS 250.A N LEU 246.A O no hydrogen 3.147 N/A LYS 251.A N GLN 247.A O no hydrogen 3.074 N/A THR 252.A N ILE 249.A O no hydrogen 3.258 N/A THR 252.A OG1 VAL 248.A O no hydrogen 2.378 N/A GLU 253.A N ILE 249.A O no hydrogen 2.672 N/A LEU 258.A N HIS 256.A ND1 no hydrogen 3.284 N/A LEU 259.A N HIS 256.A O no hydrogen 2.707 N/A GLN 260.A N PRO 257.A O no hydrogen 3.370 N/A GLN 260.A NE2 LEU 255.A O no hydrogen 2.783 N/A