Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u9a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 3.A N PHE 78.A O no hydrogen 3.207 N/A TYR 6.A N SER 4.A OG no hydrogen 3.029 N/A GLU 7.A N SER 4.A OG no hydrogen 3.329 N/A LEU 8.A N SER 4.A O no hydrogen 3.232 N/A ASN 10.A N GLU 7.A O no hydrogen 3.086 N/A ASN 10.A ND2 TYR 6.A O no hydrogen 2.221 N/A VAL 11.A N GLU 7.A O no hydrogen 3.197 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.469 N/A THR 12.A OG1 LYS 9.A O no hydrogen 3.542 N/A ASN 13.A ND2 ASN 25.A OD1 no hydrogen 2.935 N/A ASP 16.A N THR 12.A O no hydrogen 2.954 N/A ARG 18.A N ASP 16.A OD1 no hydrogen 3.360 N/A ARG 18.A NE ASP 16.A OD1 no hydrogen 3.353 N/A VAL 22.A N PRO 19.A O no hydrogen 2.952 N/A GLY 23.A N PRO 19.A O no hydrogen 3.120 N/A GLY 24.A N PRO 19.A O no hydrogen 3.026 N/A ASN 25.A N ASP 16.A O no hydrogen 3.384 N/A ASN 25.A ND2 LYS 37.A O no hydrogen 2.881 N/A LYS 26.A N ARG 18.A O no hydrogen 2.845 N/A LYS 26.A NZ GLU 17.A OE2 no hydrogen 3.430 N/A MET 27.A N VAL 35.A O no hydrogen 2.791 N/A GLY 30.A N GLY 33.A O no hydrogen 3.087 N/A GLY 33.A N GLY 30.A O no hydrogen 3.162 N/A VAL 34.A N LYS 49.A O no hydrogen 2.838 N/A VAL 35.A N GLY 28.A O no hydrogen 2.950 N/A TYR 36.A N VAL 47.A O no hydrogen 2.716 N/A TYR 36.A OH GLU 17.A OE1 no hydrogen 3.159 N/A LYS 37.A N ASN 25.A O no hydrogen 2.945 N/A GLY 38.A N VAL 45.A O no hydrogen 2.871 N/A VAL 40.A N THR 43.A O no hydrogen 2.970 N/A THR 43.A N VAL 40.A O no hydrogen 3.037 N/A THR 43.A OG1 THR 44.A O no hydrogen 3.457 N/A VAL 45.A N GLY 38.A O no hydrogen 2.585 N/A ALA 46.A N TYR 84.A O no hydrogen 2.848 N/A VAL 47.A N TYR 36.A O no hydrogen 2.732 N/A LYS 48.A N LEU 82.A O no hydrogen 2.595 N/A LYS 48.A NZ GLY 31.A O no hydrogen 2.971 N/A LYS 48.A NZ GLU 60.A OE1 no hydrogen 3.226 N/A LYS 48.A NZ GLU 60.A OE2 no hydrogen 3.320 N/A LYS 48.A NZ TYR 84.A OH no hydrogen 3.334 N/A LYS 49.A N VAL 34.A O no hydrogen 2.958 N/A LEU 50.A N LEU 80.A O no hydrogen 3.370 N/A ALA 51.A N PHE 32.A O no hydrogen 3.016 N/A GLN 56.A N LEU 53.A O no hydrogen 2.925 N/A PHE 57.A N LYS 54.A O no hydrogen 3.195 N/A ASP 58.A N LYS 54.A O no hydrogen 3.223 N/A GLN 59.A N GLN 55.A O no hydrogen 3.340 N/A LYS 62.A N ASP 58.A O no hydrogen 3.287 N/A VAL 63.A N GLN 59.A O no hydrogen 2.954 N/A MET 64.A N GLU 60.A O no hydrogen 3.146 N/A ALA 65.A N ILE 61.A O no hydrogen 3.149 N/A CYS 67.A N VAL 63.A O no hydrogen 3.376 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 3.027 N/A ASN 71.A ND2 ALA 147.A O no hydrogen 3.123 N/A LEU 72.A N HIS 69.A O no hydrogen 3.148 N/A VAL 73.A N ILE 149.A O no hydrogen 3.362 N/A LEU 76.A N VAL 83.A O no hydrogen 2.677 N/A GLY 77.A N VAL 83.A O no hydrogen 3.425 N/A LEU 82.A N LYS 48.A O no hydrogen 2.636 N/A VAL 83.A N GLY 77.A O no hydrogen 3.035 N/A TYR 84.A N ALA 46.A O no hydrogen 2.756 N/A TYR 84.A OH GLU 60.A OE2 no hydrogen 2.642 N/A VAL 85.A N GLU 74.A O no hydrogen 2.911 N/A ASN 89.A N LEU 141.A O no hydrogen 3.011 N/A ASN 89.A ND2 ASP 142.A O no hydrogen 2.530 N/A GLY 90.A N MET 87.A O no hydrogen 3.111 N/A SER 91.A N ASP 94.A OD2 no hydrogen 3.092 N/A LEU 92.A N ILE 139.A O no hydrogen 2.730 N/A LEU 93.A N SER 136.A O no hydrogen 3.040 N/A ASP 94.A N SER 91.A OG no hydrogen 3.055 N/A ARG 95.A N SER 91.A O no hydrogen 3.173 N/A ARG 95.A NE ASN 89.A O no hydrogen 2.759 N/A ARG 95.A NH1 LEU 99.A O no hydrogen 3.221 N/A ARG 95.A NH1 THR 102.A OG1 no hydrogen 2.709 N/A ARG 95.A NH2 ASN 89.A O no hydrogen 3.531 N/A LEU 96.A N LEU 92.A O no hydrogen 2.750 N/A LEU 96.A N LEU 93.A O no hydrogen 3.097 N/A SER 97.A N LEU 93.A O no hydrogen 3.101 N/A SER 97.A OG LEU 93.A O no hydrogen 2.850 N/A SER 97.A OG ASP 94.A O no hydrogen 3.256 N/A CYS 98.A N ARG 95.A O no hydrogen 3.405 N/A LEU 99.A N ASP 94.A O no hydrogen 2.911 N/A GLY 101.A N CYS 98.A O no hydrogen 3.154 N/A TRP 107.A N ASP 234.A OD1 no hydrogen 2.800 N/A TRP 107.A NE1 SER 239.A OG no hydrogen 3.004 N/A HIS 108.A N ASP 234.A OD2 no hydrogen 3.068 N/A MET 109.A N SER 106.A OG no hydrogen 2.936 N/A ARG 110.A N SER 106.A O no hydrogen 2.898 N/A ARG 110.A NE LEU 105.A O no hydrogen 3.160 N/A ARG 110.A NH1 ILE 194.A O no hydrogen 2.782 N/A ARG 110.A NH1 ASP 229.A OD2 no hydrogen 2.875 N/A ARG 110.A NH2 LEU 105.A O no hydrogen 3.093 N/A ARG 110.A NH2 ASP 229.A OD2 no hydrogen 3.034 N/A CYS 111.A N TRP 107.A O no hydrogen 2.802 N/A CYS 111.A SG TRP 107.A O no hydrogen 3.424 N/A LYS 112.A N HIS 108.A O no hydrogen 2.963 N/A ILE 113.A N MET 109.A O no hydrogen 2.903 N/A ALA 114.A N ARG 110.A O no hydrogen 2.891 N/A GLN 115.A N CYS 111.A O no hydrogen 3.132 N/A GLN 115.A NE2 LEU 268.A O no hydrogen 3.336 N/A GLN 115.A NE2 THR 272.A OG1 no hydrogen 3.191 N/A GLY 116.A N LYS 112.A O no hydrogen 2.955 N/A ALA 117.A N ILE 113.A O no hydrogen 2.927 N/A ALA 118.A N ALA 114.A O no hydrogen 2.899 N/A ASN 119.A N GLN 115.A O no hydrogen 3.109 N/A ASN 119.A N GLY 116.A O no hydrogen 2.995 N/A GLY 120.A N GLY 116.A O no hydrogen 3.310 N/A GLY 120.A N ALA 117.A O no hydrogen 2.705 N/A ILE 121.A N ALA 117.A O no hydrogen 3.058 N/A ASN 122.A N ALA 118.A O no hydrogen 3.220 N/A ASN 122.A ND2 GLU 126.A OE2 no hydrogen 2.551 N/A PHE 123.A N ASN 119.A O no hydrogen 3.049 N/A PHE 123.A N GLY 120.A O no hydrogen 3.076 N/A LEU 124.A N GLY 120.A O no hydrogen 3.102 N/A HIS 125.A N ILE 121.A O no hydrogen 2.881 N/A HIS 125.A NE2 ASP 183.A OD2 no hydrogen 3.335 N/A GLU 126.A N ASN 122.A O no hydrogen 2.923 N/A ASN 127.A N PHE 123.A O no hydrogen 3.062 N/A HIS 128.A N HIS 125.A O no hydrogen 2.932 N/A HIS 129.A N LEU 124.A O no hydrogen 2.826 N/A HIS 129.A ND1 ASN 127.A O no hydrogen 3.362 N/A HIS 131.A N ASP 183.A OD2 no hydrogen 2.961 N/A HIS 131.A NE2 SER 150.A O no hydrogen 2.994 N/A ARG 132.A N ASP 183.A OD1 no hydrogen 3.242 N/A ARG 132.A NE LEU 154.A O no hydrogen 3.255 N/A ASN 133.A N HIS 131.A ND1 no hydrogen 3.085 N/A LYS 135.A NZ THR 165.A OG1 no hydrogen 3.084 N/A SER 136.A OG TYR 168.A OH no hydrogen 3.250 N/A SER 136.A OG GLU 193.A OE1 no hydrogen 3.211 N/A SER 136.A OG GLU 193.A OE2 no hydrogen 2.854 N/A ASN 138.A N LYS 135.A O no hydrogen 3.018 N/A ASN 138.A ND2 ASN 133.A O no hydrogen 3.338 N/A LEU 140.A N LYS 148.A O no hydrogen 2.737 N/A LEU 141.A N GLY 90.A O no hydrogen 2.621 N/A GLU 143.A N GLU 143.A OE1 no hydrogen 2.790 N/A ALA 144.A N ASP 142.A OD1 no hydrogen 3.022 N/A PHE 145.A N ASP 142.A O no hydrogen 3.083 N/A THR 146.A N ASP 142.A OD1 no hydrogen 2.998 N/A THR 146.A OG1 ASP 142.A OD1 no hydrogen 3.506 N/A LYS 148.A N LEU 140.A O no hydrogen 2.818 N/A LYS 148.A NZ GLU 70.A O no hydrogen 2.955 N/A LYS 148.A NZ LEU 72.A O no hydrogen 3.240 N/A ILE 149.A N ASN 71.A O no hydrogen 3.395 N/A SER 150.A N ASN 138.A O no hydrogen 2.636 N/A ASP 151.A N SER 150.A OG no hydrogen 2.342 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 2.983 N/A ALA 155.A N PHE 152.A O no hydrogen 2.942 N/A ARG 161.A N THR 159.A OG1 no hydrogen 3.260 N/A THR 165.A OG1 ASN 133.A OD1 no hydrogen 2.741 N/A TYR 168.A N THR 165.A O no hydrogen 2.744 N/A TYR 168.A OH GLU 193.A OE1 no hydrogen 2.311 N/A TYR 168.A OH GLU 193.A OE2 no hydrogen 3.092 N/A MET 169.A N THR 166.A O no hydrogen 3.193 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.876 N/A ALA 173.A N ALA 170.A O no hydrogen 3.112 N/A LEU 174.A N ALA 170.A O no hydrogen 3.088 N/A GLY 176.A N ALA 173.A O no hydrogen 3.049 N/A GLU 177.A N GLU 172.A O no hydrogen 3.018 N/A ILE 178.A N VAL 157.A O no hydrogen 2.803 N/A LYS 181.A N THR 179.A OG1 no hydrogen 3.282 N/A LYS 181.A NZ ASN 256.A OD1 no hydrogen 3.181 N/A SER 182.A N THR 179.A O no hydrogen 2.985 N/A SER 182.A OG GLU 172.A OE2 no hydrogen 2.845 N/A SER 182.A OG THR 179.A O no hydrogen 3.224 N/A ASP 183.A N PRO 180.A O no hydrogen 2.799 N/A ILE 184.A N PRO 180.A O no hydrogen 3.438 N/A SER 186.A N SER 182.A O no hydrogen 3.118 N/A SER 186.A OG TYR 168.A O no hydrogen 2.458 N/A PHE 187.A N ASP 183.A O no hydrogen 2.858 N/A GLY 188.A N ILE 184.A O no hydrogen 2.806 N/A VAL 189.A N TYR 185.A O no hydrogen 3.345 N/A VAL 190.A N SER 186.A O no hydrogen 3.194 N/A LEU 191.A N PHE 187.A O no hydrogen 3.048 N/A LEU 192.A N GLY 188.A O no hydrogen 3.210 N/A GLU 193.A N VAL 189.A O no hydrogen 3.113 N/A ILE 194.A N VAL 190.A O no hydrogen 3.142 N/A ILE 195.A N LEU 191.A O no hydrogen 2.959 N/A THR 196.A N LEU 192.A O no hydrogen 2.987 N/A THR 196.A OG1 LEU 192.A O no hydrogen 2.672 N/A GLY 197.A N GLU 193.A O no hydrogen 2.438 N/A LEU 198.A N THR 196.A OG1 no hydrogen 3.070 N/A ASP 202.A N GLN 208.A O no hydrogen 2.932 N/A HIS 204.A N ASP 202.A OD1 no hydrogen 3.074 N/A ARG 205.A N ASP 202.A O no hydrogen 3.271 N/A ARG 205.A NE PRO 207.A O no hydrogen 2.847 N/A ARG 205.A NH1 PRO 199.A O no hydrogen 3.140 N/A ARG 205.A NH2 PRO 199.A O no hydrogen 2.846 N/A LEU 210.A N ALA 200.A O no hydrogen 2.860 N/A ASP 212.A N LEU 209.A O no hydrogen 2.683 N/A ILE 213.A N LEU 210.A O no hydrogen 2.930 N/A LYS 214.A NZ SER 248.A O no hydrogen 3.439 N/A GLU 215.A N ASP 212.A O no hydrogen 3.038 N/A GLU 216.A N ASP 212.A O no hydrogen 3.466 N/A ILE 217.A N ILE 213.A O no hydrogen 2.990 N/A ILE 217.A N LYS 214.A O no hydrogen 3.166 N/A GLU 218.A N LYS 214.A O no hydrogen 3.055 N/A ASP 219.A N GLU 215.A O no hydrogen 2.924 N/A GLU 220.A N ILE 217.A O no hydrogen 3.164 N/A LYS 222.A N GLU 216.A O no hydrogen 3.142 N/A THR 223.A N ASP 226.A OD2 no hydrogen 2.716 N/A THR 223.A OG1 ASP 226.A OD2 no hydrogen 2.805 N/A ASP 226.A N THR 223.A O no hydrogen 2.854 N/A TYR 227.A N ILE 224.A O no hydrogen 2.879 N/A ILE 228.A N ILE 224.A O no hydrogen 3.176 N/A ASP 229.A N ILE 195.A O no hydrogen 2.719 N/A LYS 231.A N ASP 229.A OD1 no hydrogen 2.728 N/A SER 237.A OG GLU 225.A OE2 no hydrogen 2.728 N/A SER 239.A N ASP 236.A OD2 no hydrogen 3.040 N/A SER 239.A OG ASP 236.A O no hydrogen 3.497 N/A SER 239.A OG ASP 236.A OD1 no hydrogen 2.883 N/A SER 239.A OG ASP 236.A OD2 no hydrogen 3.381 N/A VAL 240.A N ASP 236.A O no hydrogen 3.012 N/A GLU 241.A N SER 237.A O no hydrogen 2.847 N/A ALA 242.A N THR 238.A O no hydrogen 3.151 N/A MET 243.A N SER 239.A O no hydrogen 3.014 N/A TYR 244.A N VAL 240.A O no hydrogen 3.044 N/A SER 245.A N GLU 241.A O no hydrogen 3.029 N/A VAL 246.A N MET 243.A O no hydrogen 2.811 N/A ALA 247.A N MET 243.A O no hydrogen 2.872 N/A SER 248.A N TYR 244.A O no hydrogen 2.703 N/A GLN 249.A NE2 SER 245.A O no hydrogen 3.097 N/A CYS 250.A N VAL 246.A O no hydrogen 3.045 N/A CYS 250.A SG VAL 246.A O no hydrogen 3.300 N/A LEU 251.A N SER 248.A O no hydrogen 3.058 N/A HIS 252.A N GLN 249.A O no hydrogen 3.257 N/A LYS 254.A N HIS 252.A ND1 no hydrogen 3.205 N/A LYS 257.A N LYS 254.A O no hydrogen 2.713 N/A ARG 258.A NE HIS 252.A O no hydrogen 2.847 N/A ARG 258.A NH1 GLU 172.A OE2 no hydrogen 3.149 N/A ARG 258.A NH2 GLU 172.A OE1 no hydrogen 2.859 N/A ARG 258.A NH2 GLU 172.A OE2 no hydrogen 3.447 N/A ARG 258.A NH2 HIS 252.A O no hydrogen 3.485 N/A LYS 263.A N ASP 260.A O no hydrogen 3.017 N/A LYS 263.A NZ ASP 260.A OD1 no hydrogen 3.317 N/A VAL 264.A N ASP 260.A O no hydrogen 3.294 N/A GLN 265.A N ILE 261.A O no hydrogen 3.072 N/A GLN 265.A NE2 ASN 119.A OD1 no hydrogen 2.860 N/A GLN 266.A N LYS 262.A O no hydrogen 3.135 N/A LEU 267.A N LYS 263.A O no hydrogen 3.148 N/A LEU 268.A N VAL 264.A O no hydrogen 3.160 N/A GLN 269.A N GLN 265.A O no hydrogen 3.055 N/A GLU 270.A N GLN 266.A O no hydrogen 2.644 N/A MET 271.A N LEU 268.A O no hydrogen 3.156 N/A THR 272.A N GLN 269.A O no hydrogen 3.204 N/A THR 272.A OG1 GLN 269.A O no hydrogen 3.555 N/A