Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3an4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 1.A ND2 GLU 3.A OE1 no hydrogen 3.413 N/A SER 4.A OG ASN 1.A O no hydrogen 3.301 N/A SER 4.A OG ASN 1.A OD1 no hydrogen 3.010 N/A ALA 5.A N ASN 1.A O no hydrogen 2.950 N/A ASP 6.A N PRO 2.A O no hydrogen 3.039 N/A ASP 6.A N GLU 3.A O no hydrogen 3.062 N/A LEU 7.A N GLU 3.A O no hydrogen 3.201 N/A ARG 8.A N SER 4.A O no hydrogen 2.950 N/A ARG 8.A NH1 GLN 206.A OE1 no hydrogen 2.861 N/A ARG 8.A NH2 GLN 206.A OE1 no hydrogen 3.309 N/A ALA 9.A N ALA 5.A O no hydrogen 3.129 N/A LEU 10.A N ASP 6.A O no hydrogen 3.110 N/A ALA 11.A N LEU 7.A O no hydrogen 3.203 N/A LYS 12.A N ARG 8.A O no hydrogen 3.019 N/A HIS 13.A N ALA 9.A O no hydrogen 3.007 N/A HIS 13.A NE2 SER 88.A O no hydrogen 2.788 N/A LEU 14.A N LEU 10.A O no hydrogen 2.965 N/A TYR 15.A N ALA 11.A O no hydrogen 2.940 N/A ASP 16.A N LYS 12.A O no hydrogen 2.878 N/A SER 17.A N HIS 13.A O no hydrogen 2.987 N/A SER 17.A OG HIS 13.A O no hydrogen 3.009 N/A TYR 18.A N LEU 14.A O no hydrogen 2.901 N/A TYR 18.A OH ASP 167.A OD1 no hydrogen 2.537 N/A ILE 19.A N TYR 15.A O no hydrogen 2.900 N/A LYS 20.A N ASP 16.A O no hydrogen 3.194 N/A LYS 20.A NZ ASP 16.A OD1 no hydrogen 3.316 N/A LYS 20.A NZ ASP 16.A OD2 no hydrogen 2.930 N/A SER 21.A N SER 17.A O no hydrogen 2.831 N/A SER 21.A N TYR 18.A O no hydrogen 3.195 N/A SER 21.A OG SER 17.A O no hydrogen 2.929 N/A SER 21.A OG GLU 84.A OE1 no hydrogen 3.546 N/A PHE 22.A N TYR 18.A O no hydrogen 2.969 N/A LYS 26.A N ASP 167.A OD1 no hydrogen 2.958 N/A LYS 26.A NZ LEU 165.A O no hydrogen 2.848 N/A ALA 27.A N ASP 167.A OD2 no hydrogen 3.002 N/A LYS 28.A N THR 25.A OG1 no hydrogen 3.067 N/A ALA 29.A N THR 25.A O no hydrogen 2.991 N/A ARG 30.A N LYS 26.A O no hydrogen 2.821 N/A ARG 30.A NH2 SER 118.A O no hydrogen 2.867 N/A ARG 30.A NH2 MET 120.A O no hydrogen 2.572 N/A ALA 31.A N ALA 27.A O no hydrogen 3.193 N/A ILE 32.A N LYS 28.A O no hydrogen 3.123 N/A LEU 33.A N ALA 29.A O no hydrogen 2.962 N/A THR 34.A N ARG 30.A O no hydrogen 2.916 N/A THR 34.A OG1 ARG 30.A O no hydrogen 2.691 N/A THR 34.A OG1 ALA 31.A O no hydrogen 3.491 N/A GLY 35.A N ILE 32.A O no hydrogen 2.982 N/A LYS 40.A N THR 37.A OG1 no hydrogen 3.230 N/A LYS 40.A NZ ASP 39.A OD2 no hydrogen 3.317 N/A PHE 43.A N GLN 131.A O no hydrogen 2.809 N/A ILE 45.A N PHE 133.A O no hydrogen 2.854 N/A SER 50.A N ASP 47.A OD1 no hydrogen 2.730 N/A SER 50.A OG VAL 44.A O no hydrogen 2.694 N/A LEU 51.A N ASP 47.A O no hydrogen 2.855 N/A MET 52.A N MET 48.A O no hydrogen 3.136 N/A MET 53.A N ASN 49.A O no hydrogen 3.260 N/A GLY 54.A N SER 50.A O no hydrogen 2.873 N/A GLY 54.A N LEU 51.A O no hydrogen 3.091 N/A GLU 55.A N LEU 51.A O no hydrogen 3.328 N/A ASP 56.A N MET 53.A O no hydrogen 3.237 N/A LYS 57.A N MET 53.A O no hydrogen 3.251 N/A ILE 58.A N GLY 54.A O no hydrogen 2.767 N/A ARG 66.A N GLU 62.A O no hydrogen 2.988 N/A ILE 67.A N VAL 63.A O no hydrogen 3.065 N/A PHE 68.A N ALA 64.A O no hydrogen 2.831 N/A GLN 69.A N ILE 65.A O no hydrogen 2.824 N/A GLY 70.A N ARG 66.A O no hydrogen 2.990 N/A CYS 71.A N ILE 67.A O no hydrogen 3.106 N/A CYS 71.A SG ILE 67.A O no hydrogen 3.141 N/A GLN 72.A N PHE 68.A O no hydrogen 3.065 N/A GLN 72.A NE2 SER 250.A O no hydrogen 3.150 N/A PHE 73.A N GLN 69.A O no hydrogen 3.058 N/A ARG 74.A N GLY 70.A O no hydrogen 3.196 N/A ARG 74.A NH1 GLU 81.A OE1 no hydrogen 3.145 N/A ARG 74.A NH1 GLU 81.A OE2 no hydrogen 3.515 N/A ARG 74.A NH2 GLU 81.A OE2 no hydrogen 3.314 N/A SER 75.A N CYS 71.A O no hydrogen 2.858 N/A SER 75.A OG CYS 71.A O no hydrogen 3.099 N/A SER 75.A OG GLN 72.A O no hydrogen 2.936 N/A VAL 76.A N GLN 72.A O no hydrogen 3.082 N/A GLU 77.A N PHE 73.A O no hydrogen 3.000 N/A ALA 78.A N ARG 74.A O no hydrogen 2.706 N/A VAL 79.A N SER 75.A O no hydrogen 2.804 N/A GLN 80.A N VAL 76.A O no hydrogen 3.246 N/A GLU 81.A N GLU 77.A O no hydrogen 3.079 N/A ILE 82.A N ALA 78.A O no hydrogen 2.856 N/A THR 83.A N VAL 79.A O no hydrogen 2.869 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.846 N/A GLU 84.A N GLN 80.A O no hydrogen 3.091 N/A TYR 85.A N GLU 81.A O no hydrogen 2.901 N/A TYR 85.A OH ALA 171.A O no hydrogen 2.573 N/A ALA 86.A N ILE 82.A O no hydrogen 2.844 N/A LYS 87.A N THR 83.A O no hydrogen 3.489 N/A SER 88.A N TYR 85.A O no hydrogen 2.898 N/A SER 88.A OG TYR 85.A O no hydrogen 2.521 N/A ILE 89.A N ALA 86.A O no hydrogen 2.868 N/A PHE 92.A N ILE 89.A O no hydrogen 2.857 N/A ASN 94.A N GLY 91.A O no hydrogen 3.089 N/A LEU 95.A N PHE 92.A O no hydrogen 3.259 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.606 N/A ASN 98.A ND2 ASP 96.A OD1 no hydrogen 3.005 N/A GLN 100.A N ASP 96.A O no hydrogen 3.146 N/A GLN 100.A NE2 LEU 95.A O no hydrogen 2.870 N/A VAL 101.A N LEU 97.A O no hydrogen 3.353 N/A THR 102.A N ASN 98.A O no hydrogen 3.075 N/A THR 102.A OG1 ASN 98.A O no hydrogen 3.267 N/A LEU 103.A N ASP 99.A O no hydrogen 2.814 N/A LEU 104.A N GLN 100.A O no hydrogen 3.116 N/A LYS 105.A N VAL 101.A O no hydrogen 2.704 N/A LYS 105.A NZ ILE 258.A O no hydrogen 3.139 N/A LYS 105.A NZ LYS 260.A O no hydrogen 2.544 N/A TYR 106.A N THR 102.A O no hydrogen 3.223 N/A GLY 107.A N LEU 103.A O no hydrogen 2.882 N/A VAL 108.A N LEU 104.A O no hydrogen 3.084 N/A ILE 111.A N GLY 107.A O no hydrogen 3.104 N/A ILE 112.A N VAL 108.A O no hydrogen 2.775 N/A TYR 113.A N HIS 109.A O no hydrogen 3.103 N/A THR 114.A N GLU 110.A O no hydrogen 3.119 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.933 N/A MET 115.A N ILE 111.A O no hydrogen 2.857 N/A LEU 116.A N ILE 112.A O no hydrogen 2.866 N/A ALA 117.A N TYR 113.A O no hydrogen 3.421 N/A SER 118.A N MET 115.A O no hydrogen 2.916 N/A SER 118.A OG MET 115.A O no hydrogen 3.191 N/A LEU 119.A N LEU 116.A O no hydrogen 2.822 N/A MET 120.A N ALA 117.A O no hydrogen 2.818 N/A ASN 121.A N GLY 124.A O no hydrogen 3.230 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.742 N/A GLY 124.A N ASN 121.A OD1 no hydrogen 2.744 N/A VAL 125.A N MET 134.A O no hydrogen 2.896 N/A LEU 126.A N LEU 119.A O no hydrogen 3.021 N/A ILE 127.A N GLY 132.A O no hydrogen 2.951 N/A GLY 130.A N ILE 127.A O no hydrogen 3.073 N/A GLN 131.A N SER 128.A O no hydrogen 3.020 N/A GLY 132.A N ILE 127.A O no hydrogen 3.137 N/A PHE 133.A N PHE 43.A O no hydrogen 2.942 N/A MET 134.A N VAL 125.A O no hydrogen 2.918 N/A THR 135.A N ILE 45.A O no hydrogen 3.179 N/A ARG 136.A N ASP 123.A O no hydrogen 2.665 N/A ARG 136.A NE GLU 151.A OE1 no hydrogen 3.023 N/A ARG 136.A NE GLU 151.A OE2 no hydrogen 3.269 N/A ARG 136.A NH1 LYS 122.A O no hydrogen 3.249 N/A ARG 136.A NH2 GLU 151.A OE1 no hydrogen 2.766 N/A PHE 138.A N THR 135.A OG1 no hydrogen 3.256 N/A LEU 139.A N THR 135.A O no hydrogen 3.295 N/A LYS 140.A N ARG 136.A O no hydrogen 2.967 N/A SER 141.A N PHE 138.A O no hydrogen 3.063 N/A LEU 142.A N LEU 139.A O no hydrogen 3.341 N/A ARG 143.A NH1 GLU 246.A OE2 no hydrogen 3.211 N/A ARG 143.A NH2 GLU 62.A OE1 no hydrogen 2.433 N/A ARG 143.A NH2 GLU 62.A OE2 no hydrogen 2.559 N/A GLY 147.A N ARG 143.A O no hydrogen 2.611 N/A PHE 149.A N PHE 146.A O no hydrogen 3.266 N/A LYS 153.A N MET 150.A O no hydrogen 2.900 N/A LYS 153.A NZ PHE 149.A O no hydrogen 2.537 N/A PHE 154.A N MET 150.A O no hydrogen 3.187 N/A GLU 155.A N GLU 151.A O no hydrogen 3.124 N/A PHE 156.A N PRO 152.A O no hydrogen 3.244 N/A ALA 157.A N LYS 153.A O no hydrogen 2.858 N/A VAL 158.A N PHE 154.A O no hydrogen 2.978 N/A PHE 160.A N PHE 156.A O no hydrogen 2.738 N/A ASN 161.A N ALA 157.A O no hydrogen 2.681 N/A ASN 161.A ND2 ALA 117.A O no hydrogen 3.553 N/A ALA 162.A N LYS 159.A O no hydrogen 3.107 N/A LEU 163.A N PHE 160.A O no hydrogen 2.931 N/A GLU 164.A N ASN 161.A O no hydrogen 2.851 N/A ASP 166.A N ASP 169.A OD2 no hydrogen 2.878 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.582 N/A ASP 169.A N ASP 166.A O no hydrogen 2.852 N/A ASP 169.A N ASP 166.A OD1 no hydrogen 3.237 N/A LEU 170.A N ASP 166.A O no hydrogen 3.029 N/A ALA 171.A N ASP 167.A O no hydrogen 2.879 N/A PHE 173.A N ASP 169.A O no hydrogen 3.102 N/A ILE 174.A N LEU 170.A O no hydrogen 2.767 N/A ALA 175.A N ALA 171.A O no hydrogen 3.306 N/A VAL 176.A N ILE 172.A O no hydrogen 3.008 N/A ILE 177.A N PHE 173.A O no hydrogen 3.022 N/A ILE 178.A N ILE 174.A O no hydrogen 3.114 N/A LEU 179.A N ALA 175.A O no hydrogen 3.130 N/A SER 180.A N ILE 178.A O no hydrogen 2.865 N/A SER 180.A OG ILE 177.A O no hydrogen 2.695 N/A ARG 183.A NH1 GLU 110.A OE1 no hydrogen 2.959 N/A ARG 183.A NH2 GLU 110.A OE2 no hydrogen 2.997 N/A ARG 183.A NH2 ILE 177.A O no hydrogen 2.987 N/A LEU 187.A N ASP 99.A OD2 no hydrogen 2.815 N/A ASN 188.A N ASP 99.A OD1 no hydrogen 2.947 N/A LYS 190.A NZ ASP 194.A OD1 no hydrogen 2.990 N/A LYS 190.A NZ ASP 194.A OD2 no hydrogen 3.240 N/A GLU 193.A N VAL 189.A O no hydrogen 3.139 N/A ASP 194.A N LYS 190.A O no hydrogen 2.929 N/A ILE 195.A N PRO 191.A O no hydrogen 3.300 N/A GLN 196.A N ILE 192.A O no hydrogen 2.931 N/A ASP 197.A N GLU 193.A O no hydrogen 2.770 N/A ASN 198.A N ASP 194.A O no hydrogen 3.360 N/A LEU 199.A N ILE 195.A O no hydrogen 2.937 N/A LEU 200.A N GLN 196.A O no hydrogen 2.616 N/A GLN 201.A N ASP 197.A O no hydrogen 3.104 N/A GLN 201.A NE2 ASP 197.A OD1 no hydrogen 3.071 N/A ALA 202.A N ASN 198.A O no hydrogen 3.142 N/A LEU 203.A N LEU 199.A O no hydrogen 2.753 N/A GLU 204.A N LEU 200.A O no hydrogen 2.924 N/A LEU 205.A N GLN 201.A O no hydrogen 3.073 N/A GLN 206.A N ALA 202.A O no hydrogen 2.939 N/A GLN 206.A NE2 ASP 169.A OD1 no hydrogen 3.045 N/A LEU 207.A N LEU 203.A O no hydrogen 2.925 N/A LYS 208.A N GLU 204.A O no hydrogen 3.133 N/A LEU 209.A N LEU 205.A O no hydrogen 2.834 N/A ASN 210.A N GLN 206.A O no hydrogen 2.768 N/A ASN 210.A ND2 ASP 166.A OD2 no hydrogen 2.976 N/A ASN 210.A ND2 ASP 169.A OD1 no hydrogen 3.129 N/A ASN 210.A ND2 ASP 169.A OD2 no hydrogen 3.134 N/A HIS 211.A N LEU 207.A O no hydrogen 2.721 N/A HIS 211.A NE2 GLU 164.A O no hydrogen 3.347 N/A SER 214.A N HIS 211.A O no hydrogen 3.058 N/A LEU 217.A N SER 214.A O no hydrogen 3.209 N/A LYS 220.A N GLN 216.A O no hydrogen 3.036 N/A LYS 220.A NZ SER 215.A O no hydrogen 2.971 N/A LEU 221.A N LEU 217.A O no hydrogen 2.758 N/A LEU 222.A N PHE 218.A O no hydrogen 3.029 N/A GLN 223.A N ALA 219.A O no hydrogen 3.003 N/A LYS 224.A N LYS 220.A O no hydrogen 3.291 N/A LYS 224.A N LEU 221.A O no hydrogen 3.097 N/A MET 225.A N LEU 222.A O no hydrogen 3.034 N/A THR 226.A N GLN 223.A O no hydrogen 3.105 N/A THR 226.A OG1 GLN 223.A O no hydrogen 3.185 N/A LEU 228.A N LYS 224.A O no hydrogen 3.179 N/A ARG 229.A N MET 225.A O no hydrogen 3.295 N/A ARG 229.A NH2 ASP 182.A OD2 no hydrogen 3.262 N/A GLN 230.A N THR 226.A O no hydrogen 3.185 N/A ILE 231.A N ASP 227.A O no hydrogen 3.011 N/A VAL 232.A N LEU 228.A O no hydrogen 3.037 N/A THR 233.A N ARG 229.A O no hydrogen 2.989 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.180 N/A GLU 234.A N GLN 230.A O no hydrogen 3.020 N/A HIS 235.A N ILE 231.A O no hydrogen 3.036 N/A VAL 236.A N VAL 232.A O no hydrogen 2.871 N/A GLN 237.A N THR 233.A O no hydrogen 3.009 N/A GLN 237.A NE2 THR 233.A O no hydrogen 3.621 N/A LEU 238.A N GLU 234.A O no hydrogen 2.860 N/A LEU 239.A N HIS 235.A O no hydrogen 2.998 N/A LEU 239.A N VAL 236.A O no hydrogen 3.028 N/A GLN 240.A N VAL 236.A O no hydrogen 3.257 N/A VAL 241.A N GLN 237.A O no hydrogen 3.285 N/A ILE 242.A N LEU 238.A O no hydrogen 3.379 N/A LYS 243.A N LEU 239.A O no hydrogen 3.097 N/A LYS 243.A NZ GLN 240.A O no hydrogen 3.065 N/A LYS 243.A NZ GLN 240.A OE1 no hydrogen 2.906 N/A LYS 244.A N VAL 241.A O no hydrogen 3.290 N/A THR 245.A N VAL 241.A O no hydrogen 3.111 N/A THR 245.A N ILE 242.A O no hydrogen 2.903 N/A THR 245.A OG1 VAL 241.A O no hydrogen 3.250 N/A GLU 246.A N ILE 242.A O no hydrogen 2.616 N/A MET 249.A N GLU 246.A O no hydrogen 3.065 N/A HIS 252.A N GLN 72.A OE1 no hydrogen 3.173 N/A LEU 254.A N HIS 252.A ND1 no hydrogen 2.880 N/A GLN 256.A N HIS 252.A O no hydrogen 3.105 N/A GLU 257.A N PRO 253.A O no hydrogen 3.062 N/A ILE 258.A N LEU 254.A O no hydrogen 3.180 N/A TYR 259.A N LEU 255.A O no hydrogen 3.001 N/A LYS 260.A N GLN 256.A O no hydrogen 3.000 N/A LEU 262.A N TYR 259.A O no hydrogen 3.097 N/A