Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kby_M.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASN 5.A OD1 no hydrogen 3.034 N/A TYR 3.A OH PHE 7.A O no hydrogen 2.847 N/A GLN 4.A NE2 GLU 2.A O no hydrogen 3.123 N/A SER 8.A N TRP 41.A O no hydrogen 2.984 N/A GLN 11.A NE2 THR 37.A O no hydrogen 3.530 N/A ASP 17.A N GLN 46.A OE1 no hydrogen 3.063 N/A GLY 19.A N ASP 17.A OD1 no hydrogen 2.715 N/A ASP 23.A N ALA 139.A O no hydrogen 3.100 N/A ALA 27.A N ASN 25.A OD1 no hydrogen 2.694 N/A ASN 28.A N ASN 25.A O no hydrogen 3.021 N/A ASN 28.A ND2 TYR 51.A OH no hydrogen 3.082 N/A ARG 29.A N LEU 26.A O no hydrogen 3.449 N/A ARG 29.A NH1 MET 20.A O no hydrogen 3.566 N/A ARG 29.A NH2 LEU 18.A O no hydrogen 3.316 N/A ARG 29.A NH2 MET 20.A O no hydrogen 2.641 N/A SER 30.A N ILE 50.A O no hydrogen 2.897 N/A SER 30.A OG GLY 31.A O no hydrogen 3.015 N/A GLY 33.A N LEU 47.A O no hydrogen 2.806 N/A SER 36.A N ALA 45.A O no hydrogen 2.646 N/A LEU 39.A N SER 36.A OG no hydrogen 3.209 N/A GLY 40.A N SER 36.A O no hydrogen 3.023 N/A TRP 41.A N LEU 38.A O no hydrogen 3.101 N/A PHE 42.A N LEU 39.A O no hydrogen 2.863 N/A GLY 43.A N LEU 39.A O no hydrogen 2.813 N/A GLN 46.A NE2 ASP 17.A O no hydrogen 3.145 N/A GLN 46.A NE2 GLY 48.A O no hydrogen 2.789 N/A LEU 47.A N PRO 34.A O no hydrogen 3.310 N/A ILE 50.A N SER 30.A OG no hydrogen 3.247 N/A LEU 52.A N ASN 28.A O no hydrogen 2.888 N/A VAL 57.A N GLY 53.A O no hydrogen 3.212 N/A LEU 58.A N SER 54.A O no hydrogen 2.861 N/A SER 59.A N LEU 55.A O no hydrogen 2.714 N/A SER 59.A OG ALA 125.A O no hydrogen 2.688 N/A LEU 60.A N GLY 56.A O no hydrogen 2.726 N/A PHE 61.A N VAL 57.A O no hydrogen 2.721 N/A SER 62.A N LEU 58.A O no hydrogen 3.088 N/A SER 62.A OG LEU 58.A O no hydrogen 2.839 N/A SER 62.A OG SER 59.A O no hydrogen 3.196 N/A GLY 63.A N SER 59.A O no hydrogen 2.809 N/A LEU 64.A N LEU 60.A O no hydrogen 3.357 N/A LEU 64.A N PHE 61.A O no hydrogen 2.789 N/A MET 65.A N PHE 61.A O no hydrogen 3.033 N/A TRP 66.A N SER 62.A O no hydrogen 3.052 N/A PHE 67.A N GLY 63.A O no hydrogen 3.311 N/A PHE 68.A N LEU 64.A O no hydrogen 2.603 N/A THR 69.A N MET 65.A O no hydrogen 2.695 N/A THR 69.A OG1 MET 65.A O no hydrogen 2.515 N/A ILE 70.A N TRP 66.A O no hydrogen 3.248 N/A GLY 71.A N PHE 67.A O no hydrogen 3.099 N/A ILE 72.A N PHE 68.A O no hydrogen 2.962 N/A TRP 73.A NE1 GLN 77.A OE1 no hydrogen 2.706 N/A TRP 73.A NE1 SER 93.A O no hydrogen 3.056 N/A PHE 74.A N ILE 70.A O no hydrogen 3.025 N/A TRP 75.A N GLY 71.A O no hydrogen 3.165 N/A TYR 76.A N ILE 72.A O no hydrogen 2.725 N/A GLN 77.A N TRP 73.A O no hydrogen 2.856 N/A ALA 78.A N PHE 74.A O no hydrogen 3.099 N/A GLY 79.A N TYR 76.A O no hydrogen 3.171 N/A TRP 80.A N TRP 75.A O no hydrogen 2.912 N/A ASN 81.A N ALA 78.A O no hydrogen 3.107 N/A ALA 83.A N ASN 81.A OD1 no hydrogen 2.973 N/A PHE 85.A N ASN 81.A O no hydrogen 2.871 N/A ARG 87.A N ALA 83.A O no hydrogen 2.981 N/A ARG 87.A NE ASP 88.A OD1 no hydrogen 2.863 N/A ARG 87.A NE ASP 88.A OD2 no hydrogen 3.388 N/A ARG 87.A NH2 ASP 88.A OD2 no hydrogen 2.934 N/A ASP 88.A N VAL 84.A O no hydrogen 2.866 N/A LEU 89.A N LEU 86.A O no hydrogen 3.264 N/A PHE 91.A N ASP 88.A O no hydrogen 2.989 N/A PHE 92.A N ASP 88.A O no hydrogen 3.303 N/A SER 93.A OG GLU 95.A OE1 no hydrogen 3.300 N/A SER 93.A OG GLU 95.A OE2 no hydrogen 2.963 N/A SER 93.A OG SER 181.A OG no hydrogen 2.772 N/A LEU 94.A N TYR 177.A O no hydrogen 2.903 N/A TYR 101.A N ALA 98.A O no hydrogen 3.183 N/A TYR 101.A OH GLU 111.A OE2 no hydrogen 3.227 N/A GLY 102.A N PRO 99.A O no hydrogen 3.163 N/A SER 104.A N TYR 101.A O no hydrogen 2.952 N/A ALA 106.A N SER 104.A OG no hydrogen 2.797 N/A GLU 111.A N PRO 108.A O no hydrogen 2.695 N/A GLY 113.A N PRO 108.A O no hydrogen 3.043 N/A LEU 114.A N LEU 109.A O no hydrogen 3.468 N/A TRP 115.A NE1 VAL 175.A O no hydrogen 3.212 N/A LEU 116.A N GLY 112.A O no hydrogen 3.199 N/A ILE 117.A N GLY 113.A O no hydrogen 3.144 N/A ALA 118.A N LEU 114.A O no hydrogen 2.786 N/A SER 119.A N TRP 115.A O no hydrogen 2.731 N/A SER 119.A OG TRP 115.A O no hydrogen 2.984 N/A SER 119.A OG TYR 177.A OH no hydrogen 2.576 N/A PHE 120.A N LEU 116.A O no hydrogen 2.885 N/A PHE 121.A N ILE 117.A O no hydrogen 3.049 N/A MET 122.A N ALA 118.A O no hydrogen 2.909 N/A PHE 123.A N SER 119.A O no hydrogen 2.785 N/A VAL 124.A N PHE 120.A O no hydrogen 3.312 N/A ALA 125.A N PHE 121.A O no hydrogen 3.113 N/A VAL 126.A N MET 122.A O no hydrogen 3.003 N/A TRP 127.A N PHE 123.A O no hydrogen 3.165 N/A SER 128.A N VAL 124.A O no hydrogen 2.950 N/A SER 128.A OG VAL 124.A O no hydrogen 2.591 N/A SER 128.A OG ALA 125.A O no hydrogen 3.171 N/A TRP 129.A N ALA 125.A O no hydrogen 3.249 N/A TRP 130.A N VAL 126.A O no hydrogen 2.976 N/A TRP 130.A NE1 ALA 147.A O no hydrogen 2.705 N/A GLY 131.A N TRP 127.A O no hydrogen 3.229 N/A ARG 132.A N SER 128.A O no hydrogen 2.899 N/A ARG 132.A NH2 TYR 51.A O no hydrogen 2.704 N/A THR 133.A N TRP 129.A O no hydrogen 3.061 N/A THR 133.A OG1 TRP 129.A O no hydrogen 3.243 N/A TYR 134.A N TRP 130.A O no hydrogen 3.252 N/A TYR 134.A N GLY 131.A O no hydrogen 3.059 N/A LEU 135.A N GLY 131.A O no hydrogen 3.004 N/A ARG 136.A N ARG 132.A O no hydrogen 2.997 N/A ALA 137.A N TYR 134.A O no hydrogen 3.138 N/A GLN 138.A N TYR 134.A O no hydrogen 3.112 N/A ALA 139.A N LEU 135.A O no hydrogen 2.884 N/A GLY 141.A N GLN 138.A O no hydrogen 2.955 N/A MET 142.A N ALA 137.A O no hydrogen 2.918 N/A LYS 144.A NZ MET 142.A O no hydrogen 2.763 N/A TRP 148.A N LYS 144.A O no hydrogen 3.114 N/A ALA 149.A N HIS 145.A O no hydrogen 2.989 N/A PHE 150.A N THR 146.A O no hydrogen 3.034 N/A LEU 151.A N ALA 147.A O no hydrogen 3.101 N/A SER 152.A N ALA 149.A O no hydrogen 2.956 N/A SER 152.A OG VAL 274.A O no hydrogen 2.711 N/A SER 152.A OG THR 277.A OG1 no hydrogen 2.700 N/A ILE 154.A N PHE 150.A O no hydrogen 3.096 N/A TRP 155.A N LEU 151.A O no hydrogen 2.892 N/A TRP 157.A N ALA 153.A O no hydrogen 3.193 N/A MET 158.A N ILE 154.A O no hydrogen 2.661 N/A VAL 159.A N TRP 155.A O no hydrogen 2.972 N/A LEU 160.A N LEU 156.A O no hydrogen 2.932 N/A GLY 161.A N TRP 157.A O no hydrogen 3.290 N/A PHE 162.A N MET 158.A O no hydrogen 2.915 N/A ILE 163.A N MET 158.A O no hydrogen 2.849 N/A ARG 164.A N VAL 159.A O no hydrogen 3.239 N/A ARG 164.A NE SER 287.A O no hydrogen 2.621 N/A ARG 164.A NH1 GLU 173.A OE2 no hydrogen 3.532 N/A ARG 164.A NH2 GLU 173.A OE2 no hydrogen 3.429 N/A ARG 164.A NH2 SER 287.A O no hydrogen 3.111 N/A ILE 166.A N PHE 162.A O no hydrogen 3.151 N/A LEU 167.A N ILE 163.A O no hydrogen 3.203 N/A MET 168.A N ARG 164.A O no hydrogen 2.961 N/A GLY 169.A N PRO 165.A O no hydrogen 3.082 N/A SER 170.A N PRO 165.A O no hydrogen 2.973 N/A SER 170.A OG SER 172.A OG no hydrogen 2.681 N/A TRP 171.A N GLY 102.A O no hydrogen 2.954 N/A TRP 171.A NE1 SER 104.A O no hydrogen 3.062 N/A SER 172.A OG SER 170.A OG no hydrogen 2.681 N/A GLU 173.A N SER 170.A O no hydrogen 3.077 N/A ALA 174.A N TRP 171.A O no hydrogen 3.202 N/A TYR 177.A N LEU 94.A O no hydrogen 3.089 N/A TYR 177.A OH SER 119.A OG no hydrogen 2.576 N/A PHE 180.A N PHE 90.A O no hydrogen 3.238 N/A HIS 182.A N GLY 178.A O no hydrogen 3.377 N/A HIS 182.A ND1 ILE 179.A O no hydrogen 2.823 N/A LEU 183.A N PHE 180.A O no hydrogen 3.098 N/A ASP 184.A N PHE 180.A O no hydrogen 2.998 N/A TRP 185.A N SER 181.A O no hydrogen 2.963 N/A THR 186.A N HIS 182.A O no hydrogen 3.238 N/A THR 186.A OG1 HIS 182.A O no hydrogen 2.687 N/A ASN 187.A N LEU 183.A O no hydrogen 3.168 N/A ASN 188.A N ASP 184.A O no hydrogen 2.797 N/A PHE 189.A N TRP 185.A O no hydrogen 2.740 N/A SER 190.A N THR 186.A O no hydrogen 3.252 N/A LEU 191.A N ASN 187.A O no hydrogen 3.225 N/A VAL 192.A N ASN 188.A O no hydrogen 2.989 N/A HIS 193.A N PHE 189.A O no hydrogen 3.266 N/A HIS 193.A N SER 190.A O no hydrogen 3.223 N/A GLY 194.A N LEU 191.A O no hydrogen 3.262 N/A ASN 195.A N SER 190.A O no hydrogen 2.870 N/A LEU 196.A N SER 190.A OG no hydrogen 2.896 N/A PHE 197.A N ASN 195.A OD1 no hydrogen 2.873 N/A TYR 198.A N ASN 195.A O no hydrogen 3.070 N/A ASN 199.A N LEU 196.A O no hydrogen 2.759 N/A LEU 202.A N ASN 199.A O no hydrogen 3.160 N/A GLY 203.A N ASN 199.A O no hydrogen 3.418 N/A LEU 204.A N PRO 200.A O no hydrogen 3.190 N/A SER 205.A N PHE 201.A O no hydrogen 2.856 N/A SER 205.A OG VAL 276.A O no hydrogen 2.971 N/A ILE 206.A N LEU 202.A O no hydrogen 2.790 N/A ALA 207.A N GLY 203.A O no hydrogen 3.171 N/A PHE 208.A N LEU 204.A O no hydrogen 2.945 N/A LEU 209.A N SER 205.A O no hydrogen 2.938 N/A TYR 210.A N ILE 206.A O no hydrogen 2.804 N/A GLY 211.A N ALA 207.A O no hydrogen 2.719 N/A SER 212.A N PHE 208.A O no hydrogen 2.786 N/A SER 212.A OG PHE 208.A O no hydrogen 2.912 N/A LEU 214.A N TYR 210.A O no hydrogen 2.975 N/A LEU 215.A N GLY 211.A O no hydrogen 2.793 N/A PHE 216.A N SER 212.A O no hydrogen 2.993 N/A ALA 217.A N ALA 213.A O no hydrogen 3.021 N/A MET 218.A N LEU 214.A O no hydrogen 2.889 N/A HIS 219.A N LEU 215.A O no hydrogen 2.606 N/A GLY 220.A N PHE 216.A O no hydrogen 2.791 N/A ALA 221.A N ALA 217.A O no hydrogen 3.139 N/A THR 222.A N MET 218.A O no hydrogen 2.964 N/A THR 222.A OG1 MET 218.A O no hydrogen 2.735 N/A ILE 223.A N HIS 219.A O no hydrogen 3.008 N/A LEU 224.A N GLY 220.A O no hydrogen 3.126 N/A ALA 225.A N ALA 221.A O no hydrogen 2.860 N/A VAL 226.A N THR 222.A O no hydrogen 2.988 N/A SER 227.A N LEU 224.A O no hydrogen 3.374 N/A SER 227.A OG LEU 224.A O no hydrogen 3.118 N/A ARG 228.A NH2 GLU 2.A OE2 no hydrogen 3.409 N/A PHE 229.A N VAL 226.A O no hydrogen 3.267 N/A GLY 230.A N SER 227.A O no hydrogen 3.000 N/A GLY 231.A N VAL 226.A O no hydrogen 2.920 N/A GLU 232.A N GLU 232.A OE1 no hydrogen 2.485 N/A ARG 233.A N GLY 230.A O no hydrogen 3.436 N/A GLN 237.A N ARG 233.A O no hydrogen 3.277 N/A ILE 238.A N GLU 234.A O no hydrogen 3.095 N/A ILE 238.A N LEU 235.A O no hydrogen 3.153 N/A ALA 239.A N LEU 235.A O no hydrogen 3.190 N/A ASP 240.A N GLU 236.A O no hydrogen 2.679 N/A ARG 241.A NH1 GLU 246.A OE2 no hydrogen 2.644 N/A GLY 242.A N GLN 237.A OE1 no hydrogen 2.880 N/A ALA 245.A N GLN 237.A OE1 no hydrogen 3.205 N/A GLU 246.A N GLY 242.A O no hydrogen 3.248 N/A ARG 247.A N THR 243.A O no hydrogen 2.920 N/A ARG 247.A NH1 THR 243.A OG1 no hydrogen 2.694 N/A ALA 248.A N ALA 244.A O no hydrogen 3.071 N/A ALA 249.A N ALA 245.A O no hydrogen 3.229 N/A LEU 250.A N GLU 246.A O no hydrogen 2.980 N/A PHE 251.A N ARG 247.A O no hydrogen 2.944 N/A PHE 251.A N ALA 248.A O no hydrogen 3.224 N/A TRP 252.A N ALA 248.A O no hydrogen 3.486 N/A TRP 252.A NE1 THR 222.A OG1 no hydrogen 2.983 N/A ARG 253.A N ALA 249.A O no hydrogen 2.939 N/A TRP 254.A N LEU 250.A O no hydrogen 2.984 N/A THR 255.A N PHE 251.A O no hydrogen 3.130 N/A THR 255.A OG1 PHE 251.A O no hydrogen 2.976 N/A MET 256.A N TRP 252.A O no hydrogen 2.944 N/A GLY 257.A N ARG 253.A O no hydrogen 2.966 N/A ASN 259.A ND2 ALA 260.A O no hydrogen 3.234 N/A GLY 264.A N THR 261.A OG1 no hydrogen 2.727 N/A ILE 265.A N THR 261.A O no hydrogen 2.837 N/A HIS 266.A N GLU 263.A O no hydrogen 2.902 N/A HIS 266.A ND1 MET 262.A O no hydrogen 2.747 N/A HIS 266.A NE2 GLU 234.A OE1 no hydrogen 3.099 N/A ARG 267.A N GLY 264.A O no hydrogen 2.810 N/A ARG 267.A NH2 GLU 263.A OE2 no hydrogen 3.305 N/A TRP 268.A N GLY 264.A O no hydrogen 3.125 N/A ALA 269.A N ILE 265.A O no hydrogen 3.044 N/A ILE 270.A N HIS 266.A O no hydrogen 3.059 N/A TRP 271.A N ARG 267.A O no hydrogen 3.345 N/A MET 272.A N TRP 268.A O no hydrogen 2.986 N/A ALA 273.A N ALA 269.A O no hydrogen 3.341 N/A VAL 274.A N ILE 270.A O no hydrogen 2.952 N/A LEU 275.A N TRP 271.A O no hydrogen 2.911 N/A VAL 276.A N ALA 273.A O no hydrogen 3.086 N/A THR 277.A OG1 SER 152.A OG no hydrogen 2.700 N/A THR 277.A OG1 VAL 274.A O no hydrogen 3.563 N/A LEU 278.A N VAL 274.A O no hydrogen 3.209 N/A THR 279.A N LEU 275.A O no hydrogen 2.998 N/A THR 279.A OG1 LEU 275.A O no hydrogen 3.009 N/A GLY 280.A N VAL 276.A O no hydrogen 3.110 N/A GLY 281.A N THR 277.A O no hydrogen 3.121 N/A GLY 283.A N THR 279.A O no hydrogen 3.173 N/A ILE 284.A N GLY 280.A O no hydrogen 3.122 N/A LEU 285.A N GLY 281.A O no hydrogen 2.895 N/A LEU 286.A N ILE 282.A O no hydrogen 3.029 N/A SER 287.A N ILE 284.A O no hydrogen 3.063 N/A SER 287.A OG GLY 283.A O no hydrogen 3.115 N/A GLY 288.A N VAL 291.A O no hydrogen 2.739 N/A THR 289.A OG1 LEU 285.A O no hydrogen 2.664 N/A VAL 290.A N LEU 286.A O no hydrogen 3.349 N/A VAL 291.A N LEU 286.A O no hydrogen 2.976 N/A TRP 294.A N HIS 193.A O no hydrogen 3.003 N/A TRP 294.A NE1 SER 287.A OG no hydrogen 2.958 N/A VAL 296.A N ASN 293.A OD1 no hydrogen 2.930 N/A TRP 297.A N ASN 293.A O no hydrogen 2.999 N/A GLY 298.A N TRP 294.A O no hydrogen 2.798 N/A GLN 299.A N TYR 295.A O no hydrogen 3.043 N/A GLN 299.A N VAL 296.A O no hydrogen 2.892 N/A GLN 299.A NE2 GLN 299.A O no hydrogen 3.566 N/A ASN 300.A N TRP 297.A O no hydrogen 3.113 N/A