Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 87.A OD2 no hydrogen 2.737 N/A LYS 5.A N MET 88.A O no hydrogen 2.926 N/A LYS 5.A NZ LEU 82.A O no hydrogen 2.871 N/A LYS 5.A NZ ARG 84.A O no hydrogen 3.217 N/A VAL 6.A N GLU 29.A O no hydrogen 2.772 N/A VAL 7.A N PHE 90.A O no hydrogen 2.601 N/A GLY 8.A N ILE 31.A O no hydrogen 2.834 N/A ILE 9.A N THR 92.A O no hydrogen 2.956 N/A GLY 10.A N ILE 33.A O no hydrogen 3.082 N/A VAL 14.A N GLY 10.A O no hydrogen 3.078 N/A ASN 15.A N GLY 11.A O no hydrogen 3.140 N/A ALA 16.A N GLY 12.A O no hydrogen 2.877 N/A VAL 17.A N GLY 13.A O no hydrogen 2.919 N/A ASN 18.A N VAL 14.A O no hydrogen 3.023 N/A ASN 18.A ND2 MET 42.A O no hydrogen 3.041 N/A ARG 19.A N ASN 15.A O no hydrogen 3.124 N/A MET 20.A N ALA 16.A O no hydrogen 3.015 N/A ILE 21.A N VAL 17.A O no hydrogen 2.898 N/A GLU 22.A N ASN 18.A O no hydrogen 2.765 N/A GLN 23.A N ARG 19.A O no hydrogen 2.781 N/A GLN 23.A N MET 20.A O no hydrogen 3.223 N/A GLN 23.A NE2 GLU 22.A OE1 no hydrogen 3.417 N/A GLY 24.A N MET 20.A O no hydrogen 3.040 N/A GLY 24.A N ILE 21.A O no hydrogen 3.116 N/A LEU 25.A N MET 20.A O no hydrogen 3.106 N/A GLU 29.A N ILE 4.A O no hydrogen 2.972 N/A PHE 30.A N ASP 46.A OD2 no hydrogen 3.315 N/A ILE 31.A N VAL 6.A O no hydrogen 2.827 N/A ALA 32.A N VAL 47.A O no hydrogen 2.879 N/A ILE 33.A N GLY 8.A O no hydrogen 2.986 N/A ASN 34.A N LEU 49.A O no hydrogen 3.183 N/A THR 35.A N ASN 34.A OD1 no hydrogen 2.952 N/A ALA 37.A N SER 55.A OG no hydrogen 2.585 N/A ALA 39.A N ASP 36.A OD2 no hydrogen 2.426 N/A LEU 40.A N ASP 36.A O no hydrogen 3.376 N/A LEU 41.A N ALA 37.A O no hydrogen 3.248 N/A LEU 41.A N GLN 38.A O no hydrogen 3.296 N/A MET 42.A N ALA 39.A O no hydrogen 3.212 N/A SER 43.A N LEU 40.A O no hydrogen 3.218 N/A SER 43.A OG ASN 18.A OD1 no hydrogen 3.488 N/A ASP 44.A N ASN 18.A OD1 no hydrogen 3.219 N/A ALA 45.A N SER 43.A OG no hydrogen 3.228 N/A VAL 47.A N PHE 30.A O no hydrogen 3.273 N/A LYS 48.A NZ LEU 40.A O no hydrogen 3.244 N/A LYS 48.A NZ SER 43.A O no hydrogen 3.040 N/A LEU 49.A N ALA 32.A O no hydrogen 2.794 N/A ARG 53.A NH1 LEU 59.A O no hydrogen 3.474 N/A GLU 66.A N ASP 64.A OD1 no hydrogen 3.341 N/A GLY 68.A N ASP 64.A O no hydrogen 3.190 N/A ARG 69.A N PRO 65.A O no hydrogen 2.999 N/A ARG 69.A NE GLU 66.A OE2 no hydrogen 2.977 N/A ARG 69.A NH2 GLU 66.A OE2 no hydrogen 2.933 N/A LYS 70.A N GLU 66.A O no hydrogen 3.091 N/A ALA 71.A N VAL 67.A O no hydrogen 2.962 N/A ALA 72.A N GLY 68.A O no hydrogen 3.335 N/A GLU 73.A N ARG 69.A O no hydrogen 3.332 N/A ASP 74.A N LYS 70.A O no hydrogen 3.182 N/A ALA 75.A N ALA 72.A O no hydrogen 2.937 N/A LYS 76.A N GLU 73.A O no hydrogen 3.463 N/A ILE 79.A N ALA 75.A O no hydrogen 2.787 N/A GLU 80.A N LYS 76.A O no hydrogen 2.972 N/A GLU 81.A N ASP 77.A O no hydrogen 3.283 N/A LEU 82.A N GLU 78.A O no hydrogen 3.155 N/A LEU 82.A N ILE 79.A O no hydrogen 2.824 N/A LEU 83.A N ILE 79.A O no hydrogen 3.020 N/A ARG 84.A NE GLU 81.A OE2 no hydrogen 3.271 N/A ARG 84.A NH2 GLU 80.A OE2 no hydrogen 3.196 N/A ARG 84.A NH2 GLU 81.A OE2 no hydrogen 2.901 N/A ALA 86.A N LEU 83.A O no hydrogen 3.451 N/A ASP 87.A N VAL 3.A O no hydrogen 2.821 N/A MET 88.A N VAL 3.A O no hydrogen 3.104 N/A VAL 89.A N LEU 117.A O no hydrogen 2.988 N/A PHE 90.A N LYS 5.A O no hydrogen 2.795 N/A VAL 91.A N VAL 119.A O no hydrogen 2.889 N/A THR 92.A N VAL 7.A O no hydrogen 2.674 N/A THR 92.A OG1 VAL 7.A O no hydrogen 3.108 N/A ALA 93.A N VAL 121.A O no hydrogen 3.424 N/A GLU 95.A N THR 123.A O no hydrogen 3.047 N/A GLY 96.A N THR 101.A OG1 no hydrogen 2.968 N/A THR 101.A OG1 GLY 97.A O no hydrogen 2.704 N/A GLY 102.A N GLY 98.A O no hydrogen 3.067 N/A GLY 103.A N THR 99.A O no hydrogen 3.006 N/A ALA 104.A N GLY 100.A O no hydrogen 3.028 N/A VAL 106.A N GLY 103.A O no hydrogen 3.166 N/A VAL 107.A N GLY 103.A O no hydrogen 3.168 N/A ALA 108.A N ALA 104.A O no hydrogen 2.983 N/A SER 109.A N PRO 105.A O no hydrogen 3.131 N/A SER 109.A OG PRO 105.A O no hydrogen 3.542 N/A SER 109.A OG SER 147.A OG no hydrogen 3.135 N/A ILE 110.A N VAL 106.A O no hydrogen 3.077 N/A ALA 111.A N VAL 107.A O no hydrogen 3.088 N/A ARG 112.A N ALA 108.A O no hydrogen 2.881 N/A ARG 112.A NH2 ASP 149.A OD1 no hydrogen 3.242 N/A LYS 113.A N SER 109.A O no hydrogen 3.071 N/A LEU 114.A N ILE 110.A O no hydrogen 3.034 N/A GLY 115.A N ARG 112.A O no hydrogen 2.959 N/A ALA 116.A N ALA 111.A O no hydrogen 3.164 N/A LEU 117.A N ASP 87.A O no hydrogen 2.971 N/A THR 118.A N ASP 149.A OD2 no hydrogen 2.932 N/A THR 118.A OG1 ALA 116.A O no hydrogen 3.171 N/A VAL 119.A N VAL 89.A O no hydrogen 2.888 N/A GLY 120.A N THR 150.A O no hydrogen 2.917 N/A VAL 121.A N VAL 91.A O no hydrogen 2.893 N/A VAL 122.A N ILE 152.A O no hydrogen 3.050 N/A THR 123.A N ALA 93.A O no hydrogen 3.342 N/A ARG 124.A N ILE 154.A O no hydrogen 2.817 N/A ARG 124.A NE GLU 138.A OE1 no hydrogen 2.978 N/A ARG 124.A NH2 GLU 138.A OE1 no hydrogen 3.393 N/A ARG 124.A NH2 GLU 138.A OE2 no hydrogen 2.569 N/A PHE 126.A N GLU 129.A OE1 no hydrogen 2.812 N/A SER 127.A N ASP 157.A OD1 no hydrogen 2.971 N/A SER 127.A OG ASP 157.A OD2 no hydrogen 2.816 N/A GLU 129.A N PHE 126.A O no hydrogen 3.158 N/A GLY 130.A N SER 127.A O no hydrogen 3.101 N/A ARG 132.A NH2 GLY 62.A O no hydrogen 3.128 N/A ARG 132.A NH2 ALA 63.A O no hydrogen 3.565 N/A SER 134.A N GLY 130.A O no hydrogen 3.312 N/A ASN 135.A N LYS 131.A O no hydrogen 2.722 N/A GLN 136.A N ARG 132.A O no hydrogen 3.085 N/A GLN 136.A NE2 ALA 63.A O no hydrogen 3.524 N/A GLN 136.A NE2 GLY 96.A O no hydrogen 2.780 N/A ALA 137.A N ARG 133.A O no hydrogen 2.885 N/A GLU 138.A N SER 134.A O no hydrogen 3.206 N/A ASN 139.A N ASN 135.A O no hydrogen 3.253 N/A GLY 140.A N GLN 136.A O no hydrogen 2.914 N/A ILE 141.A N ALA 137.A O no hydrogen 2.902 N/A ALA 142.A N GLU 138.A O no hydrogen 3.261 N/A ALA 143.A N ASN 139.A O no hydrogen 2.963 N/A LEU 144.A N GLY 140.A O no hydrogen 2.983 N/A ARG 145.A N ILE 141.A O no hydrogen 2.969 N/A GLU 146.A N ALA 143.A O no hydrogen 3.056 N/A SER 147.A N LEU 144.A O no hydrogen 3.236 N/A SER 147.A OG PRO 105.A O no hydrogen 2.890 N/A SER 147.A OG SER 109.A OG no hydrogen 3.135 N/A CYS 148.A N LEU 144.A O no hydrogen 3.118 N/A CYS 148.A SG LEU 144.A O no hydrogen 3.407 N/A ASP 149.A N THR 118.A O no hydrogen 2.847 N/A THR 150.A N THR 118.A O no hydrogen 3.329 N/A LEU 151.A N GLY 212.A O no hydrogen 3.044 N/A ILE 152.A N GLY 120.A O no hydrogen 2.829 N/A VAL 153.A N ALA 214.A O no hydrogen 3.271 N/A ILE 154.A N VAL 122.A O no hydrogen 2.890 N/A ASN 156.A N ARG 124.A O no hydrogen 3.174 N/A ARG 158.A N PRO 155.A O no hydrogen 3.107 N/A LEU 159.A N ASN 156.A O no hydrogen 2.934 N/A LEU 160.A N ASP 157.A O no hydrogen 3.338 N/A MET 162.A N LEU 159.A O no hydrogen 3.226 N/A GLY 163.A N LEU 159.A O no hydrogen 2.829 N/A SER 168.A N ASP 171.A OD2 no hydrogen 3.472 N/A MET 170.A N SER 168.A OG no hydrogen 3.306 N/A ASP 171.A N SER 168.A OG no hydrogen 2.990 N/A ALA 172.A N SER 168.A O no hydrogen 3.208 N/A ARG 174.A N MET 170.A O no hydrogen 3.132 N/A SER 175.A N ASP 171.A O no hydrogen 3.096 N/A SER 175.A OG ASP 171.A O no hydrogen 3.347 N/A ALA 176.A N ALA 172.A O no hydrogen 3.200 N/A ASP 177.A N PHE 173.A O no hydrogen 2.854 N/A GLU 178.A N ARG 174.A O no hydrogen 2.936 N/A VAL 179.A N SER 175.A O no hydrogen 2.961 N/A LEU 180.A N ALA 176.A O no hydrogen 3.136 N/A LEU 181.A N ASP 177.A O no hydrogen 3.030 N/A ASN 182.A N GLU 178.A O no hydrogen 2.912 N/A GLY 183.A N VAL 179.A O no hydrogen 2.939 N/A VAL 184.A N LEU 180.A O no hydrogen 3.155 N/A GLN 185.A N LEU 181.A O no hydrogen 2.796 N/A GLN 185.A NE2 ASP 189.A OD2 no hydrogen 3.381 N/A GLY 186.A N ASN 182.A O no hydrogen 3.013 N/A ILE 187.A N VAL 184.A O no hydrogen 2.877 N/A THR 188.A N VAL 184.A O no hydrogen 2.946 N/A ASP 189.A N GLN 185.A O no hydrogen 3.027 N/A LEU 190.A N ILE 187.A O no hydrogen 3.264 N/A ILE 191.A N THR 188.A O no hydrogen 2.896 N/A THR 192.A N THR 188.A O no hydrogen 2.816 N/A THR 192.A OG1 THR 188.A O no hydrogen 3.393 N/A THR 193.A N ASP 189.A O no hydrogen 2.919 N/A THR 193.A OG1 ILE 288.A O no hydrogen 3.045 N/A GLY 195.A N THR 286.A O no hydrogen 2.758 N/A ILE 197.A N THR 286.A OG1 no hydrogen 2.903 N/A ASP 200.A N ASP 203.A OD2 no hydrogen 3.007 N/A ASP 203.A N ASP 200.A O no hydrogen 2.960 N/A ASP 203.A N ASP 200.A OD1 no hydrogen 3.410 N/A VAL 204.A N ASP 200.A O no hydrogen 3.490 N/A LYS 205.A N PHE 201.A O no hydrogen 2.791 N/A GLY 206.A N ALA 202.A O no hydrogen 3.072 N/A ILE 207.A N ASP 203.A O no hydrogen 3.225 N/A ILE 207.A N VAL 204.A O no hydrogen 3.070 N/A MET 208.A N LYS 205.A O no hydrogen 3.251 N/A SER 209.A N LYS 205.A O no hydrogen 2.885 N/A SER 209.A OG LYS 205.A O no hydrogen 2.883 N/A GLY 210.A N ASP 149.A OD1 no hydrogen 3.278 N/A GLY 212.A N ASP 149.A O no hydrogen 3.054 N/A ALA 214.A N LEU 151.A O no hydrogen 2.864 N/A LEU 215.A N ALA 302.A O no hydrogen 2.832 N/A GLY 217.A N VAL 300.A O no hydrogen 2.810 N/A GLY 219.A N VAL 298.A O no hydrogen 3.050 N/A ALA 221.A N VAL 296.A O no hydrogen 3.119 N/A ARG 226.A N GLY 223.A O no hydrogen 3.218 N/A ARG 226.A NE GLU 264.A OE1 no hydrogen 2.837 N/A ARG 226.A NH1 ASP 294.A O no hydrogen 2.926 N/A ARG 226.A NH2 GLU 264.A OE2 no hydrogen 3.309 N/A LYS 229.A N GLY 225.A O no hydrogen 3.363 N/A LYS 229.A NZ GLU 224.A O no hydrogen 3.559 N/A ALA 230.A N ARG 226.A O no hydrogen 2.802 N/A ALA 231.A N SER 227.A O no hydrogen 3.055 N/A GLU 232.A N LEU 228.A O no hydrogen 2.901 N/A ILE 233.A N LYS 229.A O no hydrogen 2.873 N/A ALA 234.A N ALA 230.A O no hydrogen 3.003 N/A ILE 235.A N ALA 231.A O no hydrogen 3.087 N/A ASN 236.A N GLU 232.A O no hydrogen 3.200 N/A ASN 236.A ND2 GLU 232.A O no hydrogen 2.794 N/A SER 237.A N ALA 234.A O no hydrogen 3.291 N/A MET 244.A N ALA 242.A O no hydrogen 2.829 N/A GLN 248.A N GLY 304.A O no hydrogen 3.170 N/A GLY 249.A N ALA 303.A O no hydrogen 3.182 N/A VAL 250.A N ASN 281.A O no hydrogen 2.793 N/A LEU 251.A N ILE 301.A O no hydrogen 2.986 N/A MET 252.A N ILE 283.A O no hydrogen 2.958 N/A SER 253.A N THR 299.A O no hydrogen 2.924 N/A SER 253.A OG GLY 186.A O no hydrogen 3.050 N/A ILE 254.A N GLY 285.A O no hydrogen 3.013 N/A ALA 255.A N ARG 297.A O no hydrogen 2.949 N/A GLY 256.A N VAL 287.A O no hydrogen 3.046 N/A SER 258.A OG ASP 290.A OD1 no hydrogen 3.366 N/A LEU 260.A N GLY 257.A O no hydrogen 3.137 N/A GLY 261.A N GLU 264.A OE2 no hydrogen 3.124 N/A ILE 265.A N GLY 261.A O no hydrogen 3.095 N/A ASN 266.A N LEU 262.A O no hydrogen 2.941 N/A GLU 267.A N PHE 263.A O no hydrogen 3.046 N/A ALA 268.A N GLU 264.A O no hydrogen 3.144 N/A ALA 269.A N ILE 265.A O no hydrogen 3.010 N/A SER 270.A N ASN 266.A O no hydrogen 2.905 N/A LEU 271.A N GLU 267.A O no hydrogen 3.138 N/A VAL 272.A N ALA 268.A O no hydrogen 3.168 N/A GLN 273.A N ALA 269.A O no hydrogen 3.096 N/A ASP 274.A N SER 270.A O no hydrogen 2.989 N/A ALA 275.A N LEU 271.A O no hydrogen 2.895 N/A ALA 276.A N VAL 272.A O no hydrogen 2.998 N/A ALA 280.A N HIS 277.A O no hydrogen 2.984 N/A ASN 281.A N GLN 248.A O no hydrogen 2.920 N/A ASN 281.A ND2 GLN 248.A O no hydrogen 3.115 N/A ILE 283.A N VAL 250.A O no hydrogen 2.984 N/A GLY 285.A N MET 252.A O no hydrogen 2.995 N/A THR 286.A N ILE 197.A O no hydrogen 3.002 N/A THR 286.A OG1 ILE 197.A O no hydrogen 3.490 N/A VAL 287.A N ILE 254.A O no hydrogen 2.937 N/A ILE 288.A N THR 193.A O no hydrogen 3.331 N/A ASP 289.A N GLY 256.A O no hydrogen 2.800 N/A SER 291.A N ASP 289.A OD1 no hydrogen 3.380 N/A SER 291.A OG ASP 289.A OD1 no hydrogen 2.723 N/A SER 291.A OG ASP 289.A OD2 no hydrogen 3.408 N/A LEU 292.A N ASP 289.A O no hydrogen 3.423 N/A GLY 293.A N ASP 290.A O no hydrogen 3.330 N/A GLU 295.A N LEU 292.A O no hydrogen 3.249 N/A VAL 296.A N ALA 221.A O no hydrogen 3.060 N/A ARG 297.A N ALA 255.A O no hydrogen 3.201 N/A ARG 297.A NH1 ASP 289.A OD2 no hydrogen 3.245 N/A VAL 298.A N GLY 219.A O no hydrogen 2.769 N/A THR 299.A N SER 253.A O no hydrogen 2.947 N/A VAL 300.A N GLY 217.A O no hydrogen 2.861 N/A ILE 301.A N LEU 251.A O no hydrogen 2.809 N/A ALA 302.A N LEU 215.A O no hydrogen 2.688 N/A ALA 303.A N GLY 249.A O no hydrogen 2.968 N/A GLY 304.A N THR 213.A O no hydrogen 3.208 N/A