Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wpw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N PRO 34.A O no hydrogen 3.212 N/A THR 3.A N ASP 66.A OD2 no hydrogen 2.978 N/A VAL 4.A N GLU 36.A O no hydrogen 2.969 N/A ALA 5.A N ILE 67.A O no hydrogen 3.034 N/A LEU 6.A N ILE 38.A O no hydrogen 3.439 N/A ILE 7.A N LEU 69.A O no hydrogen 2.852 N/A GLN 8.A NE2 GLU 39.A OE1 no hydrogen 2.653 N/A ASP 10.A N PRO 72.A O no hydrogen 3.096 N/A ILE 12.A N ALA 258.A O no hydrogen 3.013 N/A GLY 13.A N ASP 10.A O no hydrogen 2.651 N/A ILE 16.A N ILE 12.A O no hydrogen 2.948 N/A VAL 17.A N GLY 13.A O no hydrogen 2.813 N/A SER 18.A N PRO 14.A O no hydrogen 3.090 N/A SER 18.A OG PRO 14.A O no hydrogen 2.715 N/A LYS 19.A N GLU 15.A O no hydrogen 3.357 N/A LYS 19.A NZ ASP 325.A OD2 no hydrogen 3.117 N/A SER 20.A N VAL 17.A O no hydrogen 2.838 N/A SER 20.A OG ILE 16.A O no hydrogen 2.596 N/A LYS 21.A NZ GLU 39.A OE2 no hydrogen 2.207 N/A ARG 22.A NH1 ASN 329.A OD1 no hydrogen 3.134 N/A ARG 22.A NH2 ASN 329.A OD1 no hydrogen 3.171 N/A ILE 23.A N SER 20.A O no hydrogen 2.995 N/A LEU 24.A N SER 20.A O no hydrogen 3.080 N/A ALA 25.A N LYS 21.A O no hydrogen 3.036 N/A LYS 26.A N ARG 22.A O no hydrogen 3.072 N/A LYS 26.A NZ TYR 332.A O no hydrogen 3.510 N/A LYS 26.A NZ GLY 336.A O no hydrogen 3.189 N/A LYS 26.A NZ GLY 336.A OXT no hydrogen 2.978 N/A ILE 27.A N ILE 23.A O no hydrogen 3.234 N/A GLU 29.A N ALA 25.A O no hydrogen 3.246 N/A LEU 30.A N LYS 26.A O no hydrogen 3.022 N/A TYR 31.A N ILE 27.A O no hydrogen 3.039 N/A SER 32.A N GLU 29.A O no hydrogen 3.171 N/A LEU 33.A N ASN 28.A O no hydrogen 2.947 N/A GLU 36.A N PHE 2.A O no hydrogen 3.028 N/A ILE 38.A N VAL 4.A O no hydrogen 3.231 N/A VAL 40.A N LEU 6.A O no hydrogen 2.988 N/A GLY 43.A N ALA 53.A O no hydrogen 3.234 N/A ASP 44.A N ASP 10.A OD1 no hydrogen 3.110 N/A ASP 44.A N ASP 10.A OD2 no hydrogen 3.070 N/A ARG 45.A N ASP 10.A OD1 no hydrogen 3.352 N/A ARG 49.A N ARG 45.A O no hydrogen 3.228 N/A TYR 50.A N ALA 46.A O no hydrogen 3.029 N/A TYR 50.A OH GLU 41.A OE1 no hydrogen 2.952 N/A LYS 56.A NZ GLU 52.A OE2 no hydrogen 2.855 N/A SER 58.A OG GLU 41.A O no hydrogen 2.778 N/A LEU 59.A N PRO 55.A O no hydrogen 3.129 N/A LYS 60.A N LYS 56.A O no hydrogen 3.281 N/A ILE 61.A N SER 58.A O no hydrogen 2.984 N/A ILE 62.A N SER 58.A O no hydrogen 3.082 N/A ASP 63.A N LEU 59.A O no hydrogen 3.182 N/A ALA 65.A N ILE 62.A O no hydrogen 3.019 N/A ASP 66.A N THR 3.A O no hydrogen 2.759 N/A ILE 68.A N ALA 250.A O no hydrogen 2.895 N/A LEU 69.A N ALA 5.A O no hydrogen 2.918 N/A LYS 70.A N PHE 252.A O no hydrogen 3.148 N/A LYS 70.A NZ GLY 71.A O no hydrogen 3.024 N/A LYS 70.A NZ GLU 253.A OE1 no hydrogen 2.523 N/A GLY 71.A N ILE 7.A O no hydrogen 3.104 N/A GLY 74.A N ASP 10.A OD2 no hydrogen 2.910 N/A GLU 75.A N ASP 44.A OD2 no hydrogen 3.069 N/A SER 76.A N ASP 44.A OD1 no hydrogen 3.175 N/A SER 76.A OG ASP 44.A OD1 no hydrogen 2.963 N/A ALA 77.A N GLY 74.A O no hydrogen 3.247 N/A ASP 79.A N SER 76.A O no hydrogen 3.146 N/A VAL 81.A N ALA 77.A O no hydrogen 3.107 N/A ARG 85.A N VAL 82.A O no hydrogen 3.029 N/A GLN 86.A N VAL 82.A O no hydrogen 3.199 N/A TYR 88.A OH ASP 63.A OD2 no hydrogen 3.272 N/A MET 90.A N ARG 85.A O no hydrogen 3.081 N/A TYR 91.A OH ASP 247.A OD1 no hydrogen 3.137 N/A ALA 92.A N ILE 245.A O no hydrogen 3.282 N/A ASN 93.A N ARG 116.A O no hydrogen 3.017 N/A ILE 94.A N ALA 243.A O no hydrogen 2.895 N/A ARG 95.A N ILE 114.A O no hydrogen 2.932 N/A ARG 95.A NH2 ASP 228.A OD1 no hydrogen 2.555 N/A ALA 97.A N ILE 112.A O no hydrogen 2.803 N/A LYS 98.A NZ GLU 301.A OE2 no hydrogen 3.234 N/A SER 99.A N VAL 110.A O no hydrogen 2.963 N/A SER 99.A OG ASP 104.A OD2 no hydrogen 2.703 N/A SER 99.A OG VAL 110.A O no hydrogen 3.445 N/A ILE 103.A N ILE 100.A O no hydrogen 3.126 N/A ASP 104.A N ILE 100.A O no hydrogen 3.231 N/A LYS 106.A N ASP 104.A OD1 no hydrogen 3.189 N/A TYR 107.A N ASP 104.A OD1 no hydrogen 2.951 N/A TYR 107.A OH VAL 207.A O no hydrogen 2.680 N/A GLY 108.A N ASP 104.A OD2 no hydrogen 2.796 N/A VAL 110.A N SER 99.A OG no hydrogen 2.748 N/A ILE 112.A N ALA 97.A O no hydrogen 2.834 N/A LEU 113.A N ASP 214.A O no hydrogen 2.869 N/A ILE 114.A N ARG 95.A O no hydrogen 2.878 N/A VAL 115.A N ILE 216.A O no hydrogen 2.765 N/A ARG 116.A N ASN 93.A O no hydrogen 2.953 N/A ARG 116.A NE ASN 220.A O no hydrogen 2.844 N/A ARG 116.A NH2 ASN 220.A O no hydrogen 3.530 N/A ARG 116.A NH2 ASN 220.A OD1 no hydrogen 3.077 N/A GLU 117.A N THR 218.A O no hydrogen 3.211 N/A ASN 118.A N TYR 91.A O no hydrogen 2.893 N/A ASN 118.A ND2 ASN 244.A OD1 no hydrogen 2.808 N/A THR 119.A N GLU 117.A OE1 no hydrogen 3.096 N/A THR 119.A OG1 GLU 117.A OE2 no hydrogen 2.548 N/A GLU 120.A N GLU 117.A OE1 no hydrogen 3.050 N/A ASP 121.A N ILE 140.A O no hydrogen 2.953 N/A TYR 123.A OH ASP 224.A OD2 no hydrogen 2.700 N/A LYS 124.A NZ THR 119.A O no hydrogen 3.387 N/A GLU 127.A N GLY 125.A O no hydrogen 3.036 N/A HIS 128.A N VAL 136.A O no hydrogen 3.000 N/A VAL 130.A N VAL 134.A O no hydrogen 3.086 N/A VAL 134.A N SER 131.A O no hydrogen 3.167 N/A VAL 136.A N HIS 128.A O no hydrogen 2.904 N/A MET 138.A N PHE 126.A O no hydrogen 3.089 N/A LYS 139.A NZ ASP 177.A OD1 no hydrogen 2.860 N/A LYS 139.A NZ GLU 219.A OE1 no hydrogen 2.993 N/A ILE 140.A N ASP 121.A O no hydrogen 3.296 N/A THR 142.A N GLU 120.A OE1 no hydrogen 3.218 N/A THR 142.A N GLU 120.A OE2 no hydrogen 2.859 N/A THR 142.A OG1 GLU 120.A OE1 no hydrogen 2.715 N/A ALA 145.A N THR 142.A OG1 no hydrogen 3.371 N/A SER 146.A N THR 142.A O no hydrogen 3.124 N/A SER 146.A OG THR 142.A O no hydrogen 2.874 N/A GLU 147.A N ARG 143.A O no hydrogen 2.962 N/A ARG 148.A N PHE 144.A O no hydrogen 3.225 N/A ARG 148.A NH1 ASP 89.A OD2 no hydrogen 3.006 N/A ILE 149.A N ALA 145.A O no hydrogen 3.012 N/A ALA 150.A N SER 146.A O no hydrogen 3.338 N/A LYS 151.A N GLU 147.A O no hydrogen 3.016 N/A VAL 152.A N ARG 148.A O no hydrogen 3.364 N/A GLY 153.A N ILE 149.A O no hydrogen 3.087 N/A LEU 154.A N ALA 150.A O no hydrogen 2.907 N/A ASN 155.A N LYS 151.A O no hydrogen 3.066 N/A PHE 156.A N VAL 152.A O no hydrogen 3.134 N/A ALA 157.A N GLY 153.A O no hydrogen 3.022 N/A LEU 158.A N LEU 154.A O no hydrogen 3.013 N/A ARG 159.A NH1 GLU 286.A OE2 no hydrogen 2.994 N/A ARG 160.A N ALA 157.A O no hydrogen 3.049 N/A ARG 160.A NE ASP 214.A OD1 no hydrogen 2.755 N/A ARG 160.A NH2 ASP 214.A OD1 no hydrogen 3.074 N/A ARG 161.A N ASP 214.A OD2 no hydrogen 2.940 N/A ARG 161.A NH2 PHE 213.A O no hydrogen 3.217 N/A LYS 162.A N ALA 157.A O no hydrogen 2.890 N/A LYS 163.A N ASP 214.A OD2 no hydrogen 3.409 N/A LYS 163.A NZ MET 212.A O no hydrogen 3.398 N/A VAL 164.A N GLU 193.A O no hydrogen 2.950 N/A THR 165.A N VAL 215.A O no hydrogen 2.978 N/A THR 165.A OG1 SER 195.A OG no hydrogen 3.256 N/A CYS 166.A N SER 195.A O no hydrogen 2.984 N/A CYS 166.A SG VAL 217.A O no hydrogen 4.016 N/A VAL 167.A N VAL 217.A O no hydrogen 2.978 N/A HIS 168.A N MET 197.A O no hydrogen 3.181 N/A HIS 168.A NE2 GLU 196.A OE1 no hydrogen 2.948 N/A LYS 169.A N ASP 177.A OD2 no hydrogen 3.242 N/A ALA 170.A N HIS 168.A ND1 no hydrogen 2.975 N/A VAL 172.A N LYS 169.A O no hydrogen 3.368 N/A MET 173.A N LYS 169.A O no hydrogen 3.181 N/A ARG 174.A NH1 ASN 171.A O no hydrogen 3.324 N/A ASP 177.A N MET 173.A O no hydrogen 3.249 N/A LEU 179.A N ILE 175.A O no hydrogen 2.977 N/A PHE 180.A N THR 176.A O no hydrogen 3.153 N/A ALA 181.A N ASP 177.A O no hydrogen 2.760 N/A GLU 182.A N GLY 178.A O no hydrogen 3.079 N/A GLU 182.A N LEU 179.A O no hydrogen 3.176 N/A ALA 183.A N LEU 179.A O no hydrogen 3.137 N/A CYS 184.A N PHE 180.A O no hydrogen 3.105 N/A ARG 185.A N ALA 181.A O no hydrogen 3.279 N/A ARG 185.A NH1 GLU 196.A OE2 no hydrogen 3.199 N/A SER 186.A N GLU 182.A O no hydrogen 3.116 N/A SER 186.A OG GLU 182.A O no hydrogen 3.507 N/A VAL 187.A N CYS 184.A O no hydrogen 3.274 N/A LEU 188.A N CYS 184.A O no hydrogen 3.072 N/A LYS 189.A N ARG 185.A O no hydrogen 3.145 N/A LYS 191.A N LEU 188.A O no hydrogen 3.062 N/A GLU 193.A N LYS 162.A O no hydrogen 2.957 N/A TYR 194.A OH GLU 196.A OE2 no hydrogen 2.612 N/A SER 195.A N VAL 164.A O no hydrogen 3.264 N/A MET 197.A N CYS 166.A O no hydrogen 3.266 N/A VAL 199.A N HIS 168.A O no hydrogen 2.704 N/A ALA 201.A N ASP 200.A OD1 no hydrogen 3.037 N/A ALA 202.A N TYR 198.A O no hydrogen 2.942 N/A ALA 203.A N VAL 199.A O no hydrogen 3.069 N/A ALA 204.A N ASP 200.A O no hydrogen 3.276 N/A ASN 205.A N ALA 201.A O no hydrogen 2.681 N/A LEU 206.A N ALA 202.A O no hydrogen 3.009 N/A VAL 207.A N ALA 204.A O no hydrogen 3.112 N/A ARG 208.A N ALA 204.A O no hydrogen 3.103 N/A ARG 208.A NH1 ASN 209.A OD1 no hydrogen 3.386 N/A ASN 209.A N ASN 205.A O no hydrogen 2.913 N/A GLN 211.A N GLN 211.A OE1 no hydrogen 3.030 N/A MET 212.A N ASN 209.A O no hydrogen 3.324 N/A PHE 213.A N PRO 210.A O no hydrogen 3.283 N/A VAL 215.A N LYS 163.A O no hydrogen 3.086 N/A ILE 216.A N LEU 113.A O no hydrogen 2.915 N/A VAL 217.A N THR 165.A O no hydrogen 3.076 N/A THR 218.A N VAL 115.A O no hydrogen 3.144 N/A THR 218.A OG1 VAL 167.A O no hydrogen 2.882 N/A GLU 219.A N THR 218.A OG1 no hydrogen 2.788 N/A ASN 220.A ND2 GLU 120.A O no hydrogen 2.808 N/A VAL 221.A N ASP 121.A OD2 no hydrogen 3.131 N/A TYR 222.A OH ASP 177.A OD2 no hydrogen 2.578 N/A GLY 223.A N GLU 219.A O no hydrogen 2.948 N/A ASP 224.A N VAL 221.A O no hydrogen 2.727 N/A ILE 225.A N VAL 221.A O no hydrogen 3.244 N/A LEU 226.A N TYR 222.A O no hydrogen 3.005 N/A SER 227.A N GLY 223.A O no hydrogen 3.160 N/A SER 227.A OG GLY 223.A O no hydrogen 3.046 N/A GLU 229.A N ILE 225.A O no hydrogen 3.369 N/A ALA 230.A N LEU 226.A O no hydrogen 2.972 N/A SER 231.A N SER 227.A O no hydrogen 2.977 N/A SER 231.A OG SER 227.A O no hydrogen 3.414 N/A GLN 232.A N ASP 228.A O no hydrogen 3.115 N/A ILE 233.A N GLU 229.A O no hydrogen 3.092 N/A ALA 234.A N ALA 230.A O no hydrogen 3.094 N/A GLY 235.A N GLN 232.A O no hydrogen 3.136 N/A GLY 238.A N SER 236.A OG no hydrogen 3.370 N/A ILE 239.A N SER 236.A O no hydrogen 3.451 N/A ALA 240.A N LEU 237.A O no hydrogen 3.338 N/A SER 242.A N GLU 253.A O no hydrogen 2.875 N/A ALA 243.A N ILE 94.A O no hydrogen 3.228 N/A ASN 244.A N LEU 251.A O no hydrogen 2.814 N/A ILE 245.A N ALA 92.A O no hydrogen 2.765 N/A GLY 246.A N LYS 249.A O no hydrogen 2.945 N/A LYS 249.A NZ ILE 62.A O no hydrogen 2.870 N/A LYS 249.A NZ ASP 63.A O no hydrogen 3.155 N/A LEU 251.A N ASN 244.A O no hydrogen 2.812 N/A PHE 252.A N ILE 68.A O no hydrogen 2.924 N/A GLU 253.A N SER 242.A O no hydrogen 3.021 N/A VAL 255.A N ALA 240.A O no hydrogen 3.069 N/A HIS 256.A ND1 GLY 257.A O no hydrogen 3.013 N/A ILE 262.A N ALA 259.A O no hydrogen 3.402 N/A GLY 264.A N GLU 15.A OE2 no hydrogen 2.801 N/A LYS 265.A N ILE 262.A O no hydrogen 3.138 N/A ASN 266.A N GLU 15.A OE1 no hydrogen 3.249 N/A ASN 266.A ND2 ASP 325.A OD2 no hydrogen 3.426 N/A ASN 269.A ND2 THR 271.A OG1 no hydrogen 2.696 N/A THR 271.A OG1 TYR 308.A OH no hydrogen 2.605 N/A LEU 274.A N PRO 270.A O no hydrogen 3.099 N/A LEU 275.A N THR 271.A O no hydrogen 2.940 N/A SER 276.A N ALA 272.A O no hydrogen 3.145 N/A SER 276.A N PHE 273.A O no hydrogen 3.052 N/A SER 276.A OG PHE 273.A O no hydrogen 2.460 N/A VAL 277.A N PHE 273.A O no hydrogen 3.194 N/A VAL 277.A N LEU 274.A O no hydrogen 3.284 N/A SER 278.A N LEU 274.A O no hydrogen 3.254 N/A SER 278.A OG SER 297.A O no hydrogen 3.380 N/A SER 278.A OG SER 297.A OG no hydrogen 2.904 N/A MET 279.A N LEU 275.A O no hydrogen 3.295 N/A MET 280.A N SER 276.A O no hydrogen 3.017 N/A TYR 281.A N VAL 277.A O no hydrogen 2.958 N/A GLU 282.A N SER 278.A O no hydrogen 3.351 N/A ARG 283.A N MET 279.A O no hydrogen 2.918 N/A ARG 283.A N MET 280.A O no hydrogen 3.146 N/A ARG 283.A NH1 GLU 286.A OE1 no hydrogen 3.098 N/A MET 284.A N MET 280.A O no hydrogen 3.172 N/A MET 284.A N TYR 281.A O no hydrogen 2.933 N/A TYR 285.A N GLU 282.A O no hydrogen 3.253 N/A ASN 289.A N TYR 285.A O no hydrogen 2.860 N/A ARG 292.A N ASP 290.A OD1 no hydrogen 3.342 N/A ARG 292.A NH1 SER 32.A O no hydrogen 3.328 N/A TYR 293.A N ASP 290.A O no hydrogen 3.403 N/A LYS 295.A N ASP 291.A O no hydrogen 3.211 N/A SER 297.A N TYR 293.A O no hydrogen 3.078 N/A SER 297.A OG SER 278.A O no hydrogen 2.506 N/A SER 297.A OG SER 278.A OG no hydrogen 2.904 N/A ARG 298.A N ILE 294.A O no hydrogen 3.152 N/A ALA 299.A N LYS 295.A O no hydrogen 3.104 N/A LEU 300.A N ALA 296.A O no hydrogen 3.143 N/A GLU 301.A N SER 297.A O no hydrogen 3.011 N/A ASN 302.A N ARG 298.A O no hydrogen 3.055 N/A ALA 303.A N ALA 299.A O no hydrogen 3.181 N/A ILE 304.A N LEU 300.A O no hydrogen 3.216 N/A TYR 305.A N GLU 301.A O no hydrogen 3.267 N/A LEU 306.A N ASN 302.A O no hydrogen 3.116 N/A VAL 307.A N ALA 303.A O no hydrogen 3.345 N/A VAL 307.A N ILE 304.A O no hydrogen 3.279 N/A TYR 308.A N ILE 304.A O no hydrogen 3.314 N/A TYR 308.A OH THR 271.A OG1 no hydrogen 2.605 N/A LYS 309.A N TYR 305.A O no hydrogen 3.084 N/A ARG 311.A N VAL 307.A O no hydrogen 3.220 N/A ARG 311.A NH1 VAL 318.A O no hydrogen 3.293 N/A ARG 311.A NH2 VAL 318.A O no hydrogen 3.201 N/A THR 315.A OG1 ASP 317.A OD1 no hydrogen 2.394 N/A VAL 318.A N THR 315.A O no hydrogen 3.079 N/A GLY 319.A N PRO 316.A O no hydrogen 3.199 N/A GLY 320.A N THR 315.A O no hydrogen 3.126 N/A ALA 322.A N LEU 314.A O no hydrogen 2.997 N/A THR 323.A N ASP 326.A OD2 no hydrogen 3.289 N/A THR 323.A OG1 ASP 326.A OD2 no hydrogen 3.122 N/A THR 324.A N ASN 266.A O no hydrogen 3.168 N/A ASP 326.A N THR 323.A OG1 no hydrogen 3.246 N/A LEU 327.A N THR 323.A O no hydrogen 3.201 N/A ILE 328.A N THR 324.A O no hydrogen 3.112 N/A ASN 329.A N ASP 325.A O no hydrogen 3.033 N/A ASN 329.A ND2 ASP 325.A O no hydrogen 2.864 N/A GLU 330.A N ASP 326.A O no hydrogen 3.082 N/A ILE 331.A N LEU 327.A O no hydrogen 3.233 N/A TYR 332.A N ILE 328.A O no hydrogen 2.936 N/A ASN 333.A N ASN 329.A O no hydrogen 3.018 N/A LYS 334.A N GLU 330.A O no hydrogen 3.332 N/A LYS 334.A NZ GLU 310.A OE2 no hydrogen 3.277 N/A