Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5c4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 GLN 7.A OE1 no hydrogen 3.544 N/A TYR 3.A OH PRO 47.A O no hydrogen 2.592 N/A THR 4.A N GLN 7.A OE1 no hydrogen 3.320 N/A GLN 7.A N THR 4.A OG1 no hydrogen 3.172 N/A VAL 8.A N THR 4.A O no hydrogen 3.188 N/A GLU 9.A N PHE 5.A O no hydrogen 2.983 N/A LYS 10.A N ASP 6.A O no hydrogen 2.942 N/A ALA 11.A N GLN 7.A O no hydrogen 3.151 N/A ILE 12.A N VAL 8.A O no hydrogen 3.378 N/A GLU 13.A N GLU 9.A O no hydrogen 3.018 N/A GLN 14.A N LYS 10.A O no hydrogen 2.921 N/A TYR 16.A N ILE 12.A O no hydrogen 2.757 N/A ASN 22.A N ASN 39.A OD1 no hydrogen 3.013 N/A ASN 22.A ND2 ASN 39.A OD1 no hydrogen 3.340 N/A GLN 25.A N GLU 37.A O no hydrogen 3.229 N/A SER 27.A N ALA 35.A O no hydrogen 2.852 N/A GLY 28.A N ALA 35.A O no hydrogen 3.287 N/A GLY 30.A N CYS 33.A O no hydrogen 2.789 N/A ILE 34.A N PHE 46.A O no hydrogen 2.847 N/A ALA 35.A N GLY 28.A O no hydrogen 2.706 N/A TYR 36.A N PHE 44.A O no hydrogen 2.784 N/A TYR 36.A OH TYR 3.A O no hydrogen 3.428 N/A GLU 37.A N GLN 25.A O no hydrogen 2.777 N/A ILE 38.A N PHE 42.A O no hydrogen 2.919 N/A ASN 39.A N THR 23.A O no hydrogen 2.613 N/A ASP 41.A N ILE 38.A O no hydrogen 3.292 N/A PHE 42.A N ILE 38.A O no hydrogen 3.241 N/A ILE 43.A N PHE 94.A O no hydrogen 2.662 N/A PHE 44.A N TYR 36.A O no hydrogen 2.640 N/A LYS 45.A N ALA 92.A O no hydrogen 2.724 N/A LYS 45.A NZ GLU 59.A OE1 no hydrogen 3.209 N/A LYS 45.A NZ GLU 59.A OE2 no hydrogen 2.967 N/A LYS 45.A NZ ASP 216.A OD1 no hydrogen 2.947 N/A PHE 46.A N ILE 34.A O no hydrogen 2.996 N/A LYS 48.A N ASP 32.A O no hydrogen 2.742 N/A LYS 48.A NZ GLY 30.A O no hydrogen 2.533 N/A HIS 49.A NE2 ASN 31.A O no hydrogen 3.193 N/A GLY 52.A N HIS 49.A ND1 no hydrogen 3.191 N/A SER 53.A N HIS 49.A O no hydrogen 2.885 N/A SER 53.A OG MET 89.A O no hydrogen 3.003 N/A THR 54.A N SER 50.A O no hydrogen 2.990 N/A THR 54.A OG1 GLN 88.A OE1 no hydrogen 3.228 N/A ASN 55.A N ARG 51.A O no hydrogen 2.950 N/A ASN 55.A ND2 ASP 32.A OD2 no hydrogen 3.228 N/A LEU 56.A N GLY 52.A O no hydrogen 2.849 N/A PHE 57.A N SER 53.A O no hydrogen 3.070 N/A ASN 58.A N THR 54.A O no hydrogen 3.119 N/A GLU 59.A N ASN 55.A O no hydrogen 2.819 N/A VAL 60.A N LEU 56.A O no hydrogen 2.823 N/A ASN 61.A N.A PHE 57.A O no hydrogen 2.728 N/A ASN 61.A N.B PHE 57.A O no hydrogen 2.727 N/A ILE 62.A N ASN 58.A O no hydrogen 2.618 N/A LEU 63.A N GLU 59.A O no hydrogen 2.799 N/A LYS 64.A N VAL 60.A O no hydrogen 3.145 N/A ARG 65.A NH2 ASN 61.A OD1.A no hydrogen 2.283 N/A ILE 66.A N ILE 62.A O no hydrogen 3.103 N/A HIS 67.A N LYS 64.A O no hydrogen 3.452 N/A LYS 69.A N ILE 66.A O no hydrogen 3.407 N/A GLU 76.A N THR 95.A OG1 no hydrogen 3.145 N/A VAL 78.A N GLY 93.A O no hydrogen 2.971 N/A PHE 79.A N GLY 93.A O no hydrogen 3.177 N/A THR 80.A N TYR 16.A OH no hydrogen 3.063 N/A GLY 81.A N PHE 91.A O no hydrogen 2.993 N/A SER 84.A N TYR 87.A O no hydrogen 2.697 N/A TYR 87.A N SER 84.A O no hydrogen 2.717 N/A MET 89.A N SER 53.A OG no hydrogen 3.001 N/A SER 90.A N MET 82.A O no hydrogen 2.966 N/A ALA 92.A N LYS 45.A O no hydrogen 3.039 N/A GLY 93.A N PHE 79.A O no hydrogen 2.825 N/A PHE 94.A N ILE 43.A O no hydrogen 2.763 N/A THR 95.A N GLU 76.A O no hydrogen 2.962 N/A LYS 96.A N ASP 41.A O no hydrogen 2.998 N/A LYS 96.A NZ GLU 37.A OE1 no hydrogen 3.371 N/A LYS 96.A NZ GLU 37.A OE2 no hydrogen 3.002 N/A VAL 100.A N PHE 204.A O no hydrogen 2.924 N/A LEU 102.A N ILE 202.A O no hydrogen 2.863 N/A THR 103.A N PRO 101.A O no hydrogen 2.817 N/A LEU 107.A N THR 103.A O no hydrogen 2.876 N/A ASN 108.A N PRO 104.A O no hydrogen 3.075 N/A ASN 108.A N LEU 105.A O no hydrogen 2.958 N/A ASN 109.A N LEU 105.A O no hydrogen 3.207 N/A ASN 109.A N LEU 106.A O no hydrogen 2.974 N/A GLN 115.A N PRO 111.A O no hydrogen 3.125 N/A GLN 115.A NE2 LEU 110.A O no hydrogen 3.125 N/A ASN 116.A N LYS 112.A O no hydrogen 2.857 N/A GLN 117.A N GLN 113.A O no hydrogen 3.074 N/A ALA 118.A N SER 114.A O no hydrogen 2.973 N/A ALA 119.A N GLN 115.A O no hydrogen 3.202 N/A LYS 120.A N ASN 116.A O no hydrogen 3.287 N/A ASP 121.A N GLN 117.A O no hydrogen 2.799 N/A LEU 122.A N ALA 118.A O no hydrogen 2.900 N/A ALA 123.A N ALA 119.A O no hydrogen 3.059 N/A ARG 124.A N LYS 120.A O no hydrogen 3.140 N/A PHE 125.A N ASP 121.A O no hydrogen 3.164 N/A LEU 126.A N LEU 122.A O no hydrogen 2.903 N/A SER 127.A N ALA 123.A O no hydrogen 2.789 N/A GLU 128.A N ARG 124.A O no hydrogen 2.880 N/A LEU 129.A N PHE 125.A O no hydrogen 2.879 N/A HIS 130.A N LEU 126.A O no hydrogen 3.013 N/A HIS 130.A ND1 TYR 251.A OH no hydrogen 2.823 N/A HIS 130.A NE2 ASP 228.A OD1 no hydrogen 2.941 N/A SER 131.A N GLU 128.A O no hydrogen 2.841 N/A SER 131.A OG SER 127.A O no hydrogen 2.795 N/A ILE 132.A N LEU 129.A O no hydrogen 3.202 N/A SER 135.A N ASN 133.A OD1 no hydrogen 3.207 N/A SER 135.A OG ASN 133.A OD1 no hydrogen 2.632 N/A PHE 137.A N ILE 134.A O no hydrogen 3.325 N/A LEU 141.A N LYS 138.A O no hydrogen 3.121 N/A VAL 142.A N SER 139.A O no hydrogen 2.738 N/A LEU 143.A N ILE 222.A O no hydrogen 2.995 N/A ARG 146.A NH2 GLU 183.A OE2 no hydrogen 2.920 N/A GLU 147.A N ASP 144.A O no hydrogen 3.194 N/A LYS 148.A N ASP 144.A O no hydrogen 3.162 N/A LYS 148.A NZ ASP 152.A OD2 no hydrogen 2.811 N/A LYS 148.A NZ GLU 273.A OE1 no hydrogen 3.251 N/A ILE 149.A N PHE 145.A O no hydrogen 3.036 N/A ASN 150.A N ARG 146.A O no hydrogen 3.317 N/A ASN 150.A ND2 ARG 146.A O no hydrogen 3.297 N/A GLU 151.A N GLU 147.A O no hydrogen 2.745 N/A ASP 152.A N LYS 148.A O no hydrogen 2.816 N/A ASN 153.A N ILE 149.A O no hydrogen 2.728 N/A LYS 154.A N ASN 150.A O no hydrogen 3.208 N/A LYS 155.A N GLU 151.A O no hydrogen 3.117 N/A ILE 156.A N ASP 152.A O no hydrogen 2.969 N/A LYS 157.A N ASN 153.A O no hydrogen 3.201 N/A LYS 158.A N LYS 154.A O no hydrogen 3.238 N/A LEU 159.A N LYS 155.A O no hydrogen 3.054 N/A LEU 160.A N ILE 156.A O no hydrogen 2.692 N/A SER 161.A N LYS 158.A O no hydrogen 3.337 N/A SER 161.A OG LYS 158.A O no hydrogen 3.010 N/A GLU 163.A N LEU 160.A O no hydrogen 3.024 N/A LYS 165.A N GLN 168.A OE1 no hydrogen 3.130 N/A GLN 168.A N LYS 165.A O no hydrogen 2.800 N/A MET 169.A N LYS 165.A O no hydrogen 2.984 N/A LYS 170.A N GLY 166.A O no hydrogen 2.988 N/A LYS 171.A N GLN 168.A O no hydrogen 3.104 N/A VAL 172.A N MET 169.A O no hydrogen 2.938 N/A ASP 173.A N MET 169.A O no hydrogen 3.230 N/A ASP 174.A N LYS 170.A O no hydrogen 3.092 N/A PHE 175.A N LYS 171.A O no hydrogen 2.952 N/A TYR 176.A N VAL 172.A O no hydrogen 2.784 N/A TYR 176.A OH TYR 269.A OH no hydrogen 3.051 N/A ARG 177.A N ASP 173.A O no hydrogen 2.698 N/A ARG 177.A NH1 ASP 174.A OD2 no hydrogen 2.924 N/A ARG 177.A NH2 ASP 174.A OD2 no hydrogen 3.277 N/A ASP 178.A N ASP 174.A O no hydrogen 3.023 N/A ILE 179.A N PHE 175.A O no hydrogen 3.188 N/A LEU 180.A N TYR 176.A O no hydrogen 2.971 N/A GLU 181.A N ARG 177.A O no hydrogen 2.772 N/A ASN 182.A N ILE 179.A O no hydrogen 3.148 N/A ILE 184.A N ASN 182.A OD1 no hydrogen 3.082 N/A TYR 185.A N ASN 182.A O no hydrogen 3.492 N/A PHE 186.A N GLU 183.A O no hydrogen 3.123 N/A LYS 187.A N GLU 183.A O no hydrogen 3.069 N/A CYS 191.A N SER 223.A O no hydrogen 2.939 N/A CYS 191.A SG HIS 130.A O no hydrogen 3.785 N/A CYS 191.A SG LEU 192.A O no hydrogen 3.971 N/A ILE 193.A N ALA 221.A O no hydrogen 2.852 N/A HIS 194.A N ASP 228.A OD1 no hydrogen 3.029 N/A ASN 195.A N ASP 228.A OD2 no hydrogen 3.007 N/A ASN 195.A ND2 ASP 219.A O no hydrogen 3.008 N/A ASP 196.A N HIS 194.A ND1 no hydrogen 3.323 N/A SER 198.A N ASP 196.A O no hydrogen 2.884 N/A SER 199.A N GLU 238.A OE1 no hydrogen 2.781 N/A SER 199.A OG GLU 238.A OE1 no hydrogen 2.894 N/A HIS 201.A N SER 198.A O no hydrogen 2.994 N/A HIS 201.A ND1 ASP 196.A O no hydrogen 2.774 N/A ILE 202.A N SER 199.A O no hydrogen 3.273 N/A LEU 203.A N GLY 213.A O no hydrogen 2.831 N/A ASP 205.A N THR 210.A O no hydrogen 2.991 N/A LYS 208.A N ASP 205.A OD2 no hydrogen 3.282 N/A CYS 212.A N LEU 203.A O no hydrogen 2.834 N/A CYS 212.A SG LYS 98.A O no hydrogen 3.064 N/A ILE 214.A N PRO 73.A O no hydrogen 3.019 N/A ILE 215.A N HIS 201.A O no hydrogen 3.119 N/A PHE 217.A N GLU 59.A OE1 no hydrogen 3.405 N/A ALA 220.A N PHE 217.A O no hydrogen 2.990 N/A ALA 221.A N ILE 193.A O no hydrogen 3.294 N/A ILE 222.A N LEU 141.A O no hydrogen 2.918 N/A SER 223.A N CYS 191.A O no hydrogen 3.059 N/A ASP 226.A N ASP 224.A OD2 no hydrogen 3.093 N/A ASN 227.A N ASP 224.A O no hydrogen 2.983 N/A ASP 228.A N PRO 225.A O no hydrogen 3.172 N/A PHE 229.A N ASP 226.A O no hydrogen 3.163 N/A ILE 230.A N ASP 226.A O no hydrogen 3.182 N/A SER 231.A OG PHE 197.A O no hydrogen 2.800 N/A SER 231.A OG ASN 227.A O no hydrogen 3.243 N/A SER 231.A OG ASP 228.A O no hydrogen 3.507 N/A LEU 232.A N PHE 229.A O no hydrogen 3.214 N/A MET 233.A N ILE 230.A O no hydrogen 3.159 N/A GLU 237.A N ASP 236.A OD1 no hydrogen 2.749 N/A GLU 238.A N GLU 234.A O no hydrogen 2.947 N/A TYR 239.A OH LEU 102.A O no hydrogen 2.763 N/A SER 245.A N MET 241.A O no hydrogen 2.879 N/A SER 245.A OG MET 241.A O no hydrogen 2.477 N/A LYS 246.A N PHE 243.A O no hydrogen 2.984 N/A ILE 247.A N PHE 243.A O no hydrogen 3.492 N/A LEU 248.A N VAL 244.A O no hydrogen 3.018 N/A ASN 249.A N SER 245.A O no hydrogen 3.375 N/A HIS 250.A N LYS 246.A O no hydrogen 3.236 N/A TYR 251.A N ILE 247.A O no hydrogen 2.914 N/A TYR 251.A OH HIS 130.A ND1 no hydrogen 2.823 N/A LYS 252.A N ASN 249.A O no hydrogen 2.918 N/A HIS 253.A N LEU 248.A O no hydrogen 3.189 N/A HIS 253.A NE2 ASP 226.A OD1 no hydrogen 2.781 N/A ASP 255.A N HIS 253.A ND1 no hydrogen 3.015 N/A THR 258.A N ASP 255.A O no hydrogen 3.119 N/A THR 258.A N ASP 255.A OD1 no hydrogen 3.327 N/A THR 258.A OG1 ASP 255.A OD2 no hydrogen 2.616 N/A VAL 259.A N ASP 255.A O no hydrogen 3.374 N/A LEU 260.A N ILE 256.A O no hydrogen 3.190 N/A GLU 261.A N PRO 257.A O no hydrogen 3.192 N/A LYS 262.A N THR 258.A O no hydrogen 2.938 N/A LYS 262.A NZ ASP 224.A OD1 no hydrogen 2.534 N/A LYS 262.A NZ ASP 224.A OD2 no hydrogen 3.386 N/A LYS 262.A NZ ASP 226.A OD2 no hydrogen 2.649 N/A TYR 263.A N VAL 259.A O no hydrogen 2.978 N/A ARG 264.A N LEU 260.A O no hydrogen 3.079 N/A ARG 264.A NH2 GLU 261.A OE1 no hydrogen 3.064 N/A MET 265.A N GLU 261.A O no hydrogen 3.286 N/A LYS 266.A N LYS 262.A O no hydrogen 2.889 N/A LYS 266.A NZ ASN 227.A OD1 no hydrogen 3.295 N/A GLU 267.A N TYR 263.A O no hydrogen 3.011 N/A LYS 268.A N ARG 264.A O no hydrogen 3.317 N/A TYR 269.A N MET 265.A O no hydrogen 2.702 N/A TYR 269.A OH ASP 152.A OD2 no hydrogen 2.723 N/A TYR 269.A OH TYR 176.A OH no hydrogen 3.051 N/A TRP 270.A N GLU 267.A O no hydrogen 3.352 N/A SER 271.A N LYS 268.A O no hydrogen 3.268 N/A SER 271.A OG GLU 293.A OE1 no hydrogen 2.758 N/A PHE 272.A N TYR 269.A O no hydrogen 2.928 N/A GLU 273.A N TYR 269.A O no hydrogen 3.341 N/A LYS 274.A N TRP 270.A O no hydrogen 2.957 N/A LYS 274.A NZ GLU 289.A OE2 no hydrogen 2.597 N/A LYS 274.A NZ GLU 293.A OE2 no hydrogen 2.983 N/A ILE 275.A N PHE 272.A O no hydrogen 3.052 N/A ILE 276.A N PHE 272.A O no hydrogen 3.280 N/A TYR 277.A N GLU 273.A O no hydrogen 2.829 N/A GLY 278.A N LYS 274.A O no hydrogen 2.730 N/A LYS 279.A N ILE 275.A O no hydrogen 3.140 N/A GLU 280.A N ILE 276.A O no hydrogen 3.232 N/A TYR 281.A N TYR 277.A O no hydrogen 2.742 N/A TYR 281.A OH ASP 32.A OD1 no hydrogen 2.976 N/A TYR 283.A OH ASN 31.A OD1 no hydrogen 2.370 N/A TYR 287.A N TYR 283.A O no hydrogen 3.271 N/A GLU 288.A N MET 284.A O no hydrogen 2.829 N/A GLU 289.A N ASP 285.A O no hydrogen 3.093 N/A GLY 290.A N TRP 286.A O no hydrogen 3.108 N/A LEU 291.A N TYR 287.A O no hydrogen 3.269 N/A ASN 292.A N GLU 288.A O no hydrogen 3.229 N/A ASN 292.A N GLU 289.A O no hydrogen 2.972 N/A GLU 293.A N GLU 289.A O no hydrogen 3.057 N/A ILE 294.A N GLY 290.A O no hydrogen 2.985 N/A SER 296.A N GLU 293.A O no hydrogen 3.230 N/A