Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1p8s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N ASN 41.A O no hydrogen 3.258 N/A GLU 4.A N ILE 88.A O no hydrogen 2.709 N/A ILE 6.A N VAL 90.A O no hydrogen 2.986 N/A GLY 7.A N GLY 46.A O no hydrogen 2.975 N/A ALA 8.A N LEU 92.A O no hydrogen 2.921 N/A SER 11.A OG GLU 20.A OE1 no hydrogen 2.883 N/A LYS 12.A NZ ASP 52.A OD2 no hydrogen 3.361 N/A GLN 14.A N SER 11.A O no hydrogen 3.065 N/A GLN 14.A NE2 SER 11.A O no hydrogen 3.197 N/A GLN 14.A NE2 ARG 16.A O no hydrogen 2.623 N/A ARG 16.A N GLN 14.A OE1 no hydrogen 2.761 N/A GLY 18.A N GLU 20.A OE1 no hydrogen 3.400 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.787 N/A LYS 21.A N GLY 18.A O no hydrogen 2.946 N/A LYS 21.A NZ GLU 20.A OE2 no hydrogen 3.319 N/A GLY 22.A N VAL 19.A O no hydrogen 2.661 N/A ALA 25.A N GLY 22.A O no hydrogen 2.455 N/A LEU 26.A N GLY 22.A O no hydrogen 2.868 N/A ARG 27.A N PRO 23.A O no hydrogen 2.517 N/A ARG 27.A NE ASP 44.A OD1 no hydrogen 3.210 N/A ARG 27.A NE ASP 44.A OD2 no hydrogen 2.339 N/A ARG 27.A NH1 ASP 47.A OD1 no hydrogen 3.493 N/A ARG 27.A NH1 ASP 47.A OD2 no hydrogen 3.177 N/A ARG 27.A NH2 ASP 44.A OD1 no hydrogen 2.750 N/A ALA 29.A N ALA 25.A O no hydrogen 3.184 N/A GLY 30.A N ARG 27.A O no hydrogen 2.996 N/A LEU 31.A N LEU 26.A O no hydrogen 3.372 N/A LYS 34.A N GLY 30.A O no hydrogen 3.055 N/A LEU 35.A N LEU 31.A O no hydrogen 2.972 N/A LYS 36.A N VAL 32.A O no hydrogen 3.233 N/A GLU 37.A N LYS 34.A O no hydrogen 3.073 N/A THR 38.A N LEU 35.A O no hydrogen 2.776 N/A THR 38.A OG1 LEU 35.A O no hydrogen 2.637 N/A TYR 40.A N THR 38.A OG1 no hydrogen 3.287 N/A ARG 43.A N ILE 3.A O no hydrogen 3.193 N/A HIS 45.A N ILE 5.A O no hydrogen 2.682 N/A HIS 45.A ND1 HIS 45.A O no hydrogen 2.169 N/A LEU 48.A N GLY 7.A O no hydrogen 2.810 N/A LYS 63.A N GLY 133.A O no hydrogen 3.028 N/A ASN 64.A ND2 LYS 12.A O no hydrogen 3.597 N/A ARG 66.A N ASP 56.A OD1 no hydrogen 2.951 N/A ARG 66.A NH1 ASP 56.A OD1 no hydrogen 2.964 N/A ARG 66.A NH1 SER 57.A O no hydrogen 2.705 N/A SER 67.A N ASP 56.A OD2 no hydrogen 2.742 N/A SER 67.A OG ASP 52.A OD1 no hydrogen 3.295 N/A SER 67.A OG ASP 56.A OD2 no hydrogen 2.874 N/A VAL 68.A N ASN 64.A O no hydrogen 2.917 N/A GLY 69.A N PRO 65.A O no hydrogen 2.891 N/A LYS 70.A N ARG 66.A O no hydrogen 2.956 N/A LYS 70.A NZ GLU 73.A OE1 no hydrogen 3.523 N/A ALA 71.A N SER 67.A O no hydrogen 3.254 N/A ASN 72.A N VAL 68.A O no hydrogen 3.295 N/A ASN 72.A ND2 VAL 68.A O no hydrogen 2.646 N/A ASN 72.A ND2 SER 97.A O no hydrogen 3.257 N/A GLU 73.A N GLY 69.A O no hydrogen 3.076 N/A GLN 74.A N LYS 70.A O no hydrogen 3.049 N/A GLN 74.A NE2 ALA 49.A O no hydrogen 3.479 N/A LEU 75.A N ALA 71.A O no hydrogen 2.901 N/A LEU 75.A N ASN 72.A O no hydrogen 2.884 N/A ALA 76.A N ASN 72.A O no hydrogen 2.764 N/A ALA 77.A N GLU 73.A O no hydrogen 3.239 N/A VAL 78.A N LEU 75.A O no hydrogen 2.751 N/A VAL 79.A N LEU 75.A O no hydrogen 2.833 N/A ALA 80.A N ALA 76.A O no hydrogen 2.947 N/A GLU 81.A N VAL 78.A O no hydrogen 3.158 N/A THR 82.A N VAL 78.A O no hydrogen 3.408 N/A THR 82.A N VAL 79.A O no hydrogen 2.944 N/A GLN 83.A N VAL 79.A O no hydrogen 3.072 N/A GLN 83.A NE2 SER 89.A OG no hydrogen 2.687 N/A GLN 83.A NE2 SER 266.A O no hydrogen 2.991 N/A GLY 86.A N GLN 83.A O no hydrogen 3.098 N/A THR 87.A N THR 82.A O no hydrogen 3.086 N/A THR 87.A OG1 THR 82.A O no hydrogen 2.443 N/A ILE 88.A N PRO 2.A O no hydrogen 2.592 N/A SER 89.A N SER 266.A O no hydrogen 3.225 N/A VAL 91.A N LEU 268.A O no hydrogen 2.772 N/A GLY 93.A N ILE 270.A O no hydrogen 3.337 N/A HIS 96.A N GLU 272.A OE2 no hydrogen 3.388 N/A HIS 96.A NE2 SER 225.A OG no hydrogen 2.636 N/A SER 97.A N ASP 95.A OD1 no hydrogen 2.430 N/A SER 97.A OG ASP 95.A OD1 no hydrogen 2.519 N/A SER 97.A OG ASP 95.A OD2 no hydrogen 2.943 N/A MET 98.A N ASP 95.A O no hydrogen 3.348 N/A ALA 99.A N HIS 96.A O no hydrogen 2.561 N/A SER 102.A N MET 98.A O no hydrogen 3.030 N/A SER 102.A OG HIS 223.A NE2 no hydrogen 3.088 N/A SER 102.A OG ASP 269.A OD1 no hydrogen 2.530 N/A SER 102.A OG ASP 269.A OD2 no hydrogen 3.076 N/A ILE 103.A N ALA 99.A O no hydrogen 2.635 N/A SER 104.A N ILE 100.A O no hydrogen 3.146 N/A SER 104.A OG ILE 100.A O no hydrogen 2.501 N/A GLY 105.A N GLY 101.A O no hydrogen 2.823 N/A HIS 106.A N SER 102.A O no hydrogen 3.364 N/A HIS 106.A NE2 SER 266.A OG no hydrogen 2.907 N/A ALA 107.A N ILE 103.A O no hydrogen 2.925 N/A HIS 110.A N HIS 106.A O no hydrogen 3.113 N/A LEU 113.A N HIS 110.A O no hydrogen 2.968 N/A CYS 114.A N PRO 221.A O no hydrogen 3.295 N/A CYS 114.A SG PRO 221.A O no hydrogen 3.396 N/A VAL 115.A N ASP 168.A O no hydrogen 2.875 N/A ILE 116.A N HIS 223.A O no hydrogen 3.255 N/A TRP 117.A N VAL 170.A O no hydrogen 2.437 N/A VAL 118.A N SER 225.A O no hydrogen 3.277 N/A ALA 120.A N ASP 229.A OD1 no hydrogen 3.211 N/A HIS 121.A N ASP 119.A OD2 no hydrogen 2.794 N/A HIS 121.A ND1 ASP 119.A OD2 no hydrogen 3.277 N/A THR 122.A OG1 GLU 181.A OE2 no hydrogen 2.842 N/A ILE 124.A N GLU 181.A OE2 no hydrogen 2.879 N/A ASN 125.A ND2 ASP 178.A OD2 no hydrogen 3.223 N/A THR 126.A N THR 129.A OG1 no hydrogen 2.438 N/A THR 126.A OG1 THR 129.A OG1 no hydrogen 3.402 N/A LEU 128.A N THR 126.A OG1 no hydrogen 2.864 N/A THR 129.A N THR 126.A O no hydrogen 2.680 N/A THR 129.A OG1 ASN 125.A OD1 no hydrogen 2.835 N/A THR 129.A OG1 THR 126.A O no hydrogen 2.938 N/A THR 129.A OG1 THR 126.A OG1 no hydrogen 3.402 N/A THR 130.A N THR 126.A O no hydrogen 2.970 N/A THR 130.A OG1 THR 126.A O no hydrogen 2.920 N/A ASN 134.A ND2 SER 132.A OG no hydrogen 2.998 N/A HIS 136.A N GLY 13.A O no hydrogen 2.896 N/A HIS 136.A ND1 GLU 272.A OE2 no hydrogen 2.860 N/A GLN 138.A NE2 THR 130.A OG1 no hydrogen 2.326 N/A VAL 140.A N ASP 123.A O no hydrogen 3.168 N/A ALA 141.A N GLN 138.A O no hydrogen 2.476 N/A PHE 142.A N PRO 139.A O no hydrogen 3.266 N/A LEU 143.A N VAL 140.A O no hydrogen 3.082 N/A LEU 144.A N VAL 140.A O no hydrogen 3.141 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.474 N/A LYS 148.A N LYS 145.A O no hydrogen 3.091 N/A LYS 150.A N LEU 147.A O no hydrogen 3.204 N/A PHE 157.A N VAL 154.A O no hydrogen 2.873 N/A TRP 159.A NE1 GLY 69.A O no hydrogen 3.012 N/A CYS 163.A SG ILE 103.A O no hydrogen 3.890 N/A ALA 166.A N GLU 146.A OE1 no hydrogen 3.292 N/A ALA 166.A N GLU 146.A OE2 no hydrogen 3.329 N/A LYS 167.A N SER 165.A OG no hydrogen 3.393 N/A ASP 168.A N SER 165.A O no hydrogen 2.901 N/A VAL 170.A N VAL 115.A O no hydrogen 2.901 N/A TYR 171.A N LYS 191.A O no hydrogen 3.377 N/A TYR 171.A OH THR 122.A O no hydrogen 3.237 N/A ILE 172.A N TRP 117.A O no hydrogen 2.980 N/A GLY 173.A N PHE 193.A O no hydrogen 3.166 N/A ARG 175.A N ALA 120.A O no hydrogen 3.071 N/A ARG 175.A NH1 LEU 231.A O no hydrogen 3.460 N/A ARG 175.A NH1 VAL 243.A O no hydrogen 3.003 N/A ARG 175.A NH2 GLY 230.A O no hydrogen 2.271 N/A ASP 176.A N ALA 120.A O no hydrogen 3.292 N/A ASP 178.A N GLU 181.A OE1 no hydrogen 3.198 N/A HIS 182.A N ASP 178.A O no hydrogen 3.152 N/A TYR 183.A N PRO 179.A O no hydrogen 3.191 N/A ILE 184.A N GLY 180.A O no hydrogen 3.261 N/A ILE 185.A N GLU 181.A O no hydrogen 3.136 N/A LYS 186.A N HIS 182.A O no hydrogen 2.821 N/A THR 187.A N TYR 183.A O no hydrogen 2.616 N/A THR 187.A OG1 TYR 183.A O no hydrogen 3.445 N/A LEU 188.A N ILE 184.A O no hydrogen 2.706 N/A GLY 189.A N LYS 186.A O no hydrogen 2.665 N/A ILE 190.A N ILE 185.A O no hydrogen 2.888 N/A LYS 191.A NZ GLU 209.A OE1 no hydrogen 3.467 N/A SER 194.A OG THR 196.A OG1 no hydrogen 2.939 N/A SER 194.A OG GLU 197.A OE1 no hydrogen 2.508 N/A MET 195.A N LEU 174.A O no hydrogen 3.184 N/A THR 196.A N SER 194.A OG no hydrogen 3.291 N/A THR 196.A OG1 SER 194.A OG no hydrogen 2.939 N/A THR 196.A OG1 GLU 197.A OE1 no hydrogen 2.966 N/A VAL 198.A N SER 194.A O no hydrogen 3.054 N/A ASP 199.A N MET 195.A O no hydrogen 2.941 N/A LYS 200.A N THR 196.A O no hydrogen 2.906 N/A LEU 201.A N GLU 197.A O no hydrogen 2.893 N/A LYS 205.A NZ GLU 208.A OE2 no hydrogen 2.646 N/A VAL 206.A N GLY 202.A O no hydrogen 3.046 N/A GLU 209.A N LYS 205.A O no hydrogen 2.932 N/A THR 210.A N VAL 206.A O no hydrogen 3.082 N/A THR 210.A OG1 VAL 206.A O no hydrogen 3.348 N/A THR 210.A OG1 MET 207.A O no hydrogen 2.994 N/A PHE 211.A N MET 207.A O no hydrogen 3.024 N/A SER 212.A N GLU 208.A O no hydrogen 3.241 N/A LEU 214.A N THR 210.A O no hydrogen 2.945 N/A LEU 215.A N PHE 211.A O no hydrogen 2.595 N/A LYS 219.A NZ LEU 215.A O no hydrogen 3.208 N/A ARG 220.A NE LEU 214.A O no hydrogen 3.024 N/A ARG 220.A NH1 ASP 112.A O no hydrogen 2.944 N/A ARG 220.A NH2 ASP 168.A OD1 no hydrogen 2.681 N/A ILE 222.A N LEU 264.A O no hydrogen 2.502 N/A HIS 223.A N CYS 114.A O no hydrogen 3.032 N/A HIS 223.A NE2 SER 102.A OG no hydrogen 3.088 N/A LEU 224.A N GLY 267.A O no hydrogen 2.557 N/A SER 225.A OG HIS 96.A NE2 no hydrogen 2.636 N/A SER 225.A OG ASP 269.A OD2 no hydrogen 3.496 N/A PHE 226.A N ASP 269.A O no hydrogen 2.712 N/A CYS 227.A N VAL 118.A O no hydrogen 2.971 N/A CYS 227.A SG ASP 119.A OD2 no hydrogen 3.507 N/A VAL 228.A N MET 271.A O no hydrogen 3.460 N/A GLY 230.A N CYS 227.A O no hydrogen 2.453 N/A LEU 231.A N VAL 228.A O no hydrogen 3.270 N/A ASP 232.A N LEU 247.A O no hydrogen 3.070 N/A VAL 234.A N ASP 232.A OD1 no hydrogen 3.416 N/A PHE 235.A N ASP 232.A O no hydrogen 2.640 N/A THR 236.A N ASP 232.A O no hydrogen 2.989 N/A THR 236.A OG1 VAL 228.A O no hydrogen 2.759 N/A THR 236.A OG1 THR 236.A O no hydrogen 2.496 N/A ALA 238.A N THR 287.A OG1 no hydrogen 2.959 N/A THR 239.A N PRO 237.A O no hydrogen 2.528 N/A THR 239.A OG1 THR 236.A O no hydrogen 3.036 N/A GLY 245.A N ASP 232.A OD2 no hydrogen 2.548 N/A GLY 246.A N ASP 232.A OD2 no hydrogen 2.967 N/A LEU 247.A N GLY 230.A O no hydrogen 3.517 N/A SER 248.A N GLU 251.A OE1 no hydrogen 2.903 N/A GLU 251.A N SER 248.A OG no hydrogen 2.741 N/A GLY 252.A N SER 248.A O no hydrogen 2.857 N/A LEU 253.A N TYR 249.A O no hydrogen 3.154 N/A TYR 254.A N ARG 250.A O no hydrogen 2.968 N/A ILE 255.A N GLU 251.A O no hydrogen 2.663 N/A THR 256.A N GLY 252.A O no hydrogen 3.213 N/A THR 256.A OG1 GLY 252.A O no hydrogen 3.263 N/A THR 256.A OG1 LEU 253.A O no hydrogen 3.021 N/A THR 256.A OG1 SER 297.A OG no hydrogen 2.867 N/A GLU 257.A N LEU 253.A O no hydrogen 2.823 N/A GLU 258.A N TYR 254.A O no hydrogen 3.221 N/A ILE 259.A N ILE 255.A O no hydrogen 3.111 N/A TYR 260.A N THR 256.A O no hydrogen 3.357 N/A TYR 260.A N GLU 257.A O no hydrogen 3.157 N/A TYR 260.A OH GLU 39.A OE2 no hydrogen 3.257 N/A LYS 261.A N GLU 257.A O no hydrogen 3.019 N/A LYS 261.A NZ GLU 258.A OE2 no hydrogen 3.497 N/A THR 262.A OG1 ILE 259.A O no hydrogen 3.391 N/A GLY 263.A N TYR 260.A O no hydrogen 2.894 N/A LEU 264.A N THR 262.A OG1 no hydrogen 2.984 N/A SER 266.A N ILE 222.A O no hydrogen 2.736 N/A SER 266.A OG GLN 83.A OE1 no hydrogen 3.531 N/A SER 266.A OG HIS 106.A NE2 no hydrogen 2.907 N/A GLY 267.A N ILE 222.A O no hydrogen 3.271 N/A LEU 268.A N SER 89.A O no hydrogen 3.037 N/A ASP 269.A N LEU 224.A O no hydrogen 2.730 N/A ILE 270.A N VAL 91.A O no hydrogen 2.877 N/A MET 271.A N PHE 226.A O no hydrogen 3.266 N/A GLU 272.A N GLY 94.A O no hydrogen 2.448 N/A ASN 274.A N ALA 238.A O no hydrogen 2.957 N/A ASN 274.A ND2 GLY 17.A O no hydrogen 3.073 N/A THR 276.A N ASN 274.A OD1 no hydrogen 3.178 N/A THR 276.A OG1 ASN 274.A OD1 no hydrogen 2.994 N/A LEU 277.A N ASN 274.A O no hydrogen 3.451 N/A GLU 283.A N THR 280.A OG1 no hydrogen 3.312 N/A VAL 284.A N THR 280.A O no hydrogen 3.230 N/A VAL 284.A N PRO 281.A O no hydrogen 2.822 N/A THR 285.A N PRO 281.A O no hydrogen 2.667 N/A THR 285.A OG1 PRO 281.A O no hydrogen 3.287 N/A ARG 286.A N GLU 282.A O no hydrogen 2.637 N/A ARG 286.A NH1 VAL 234.A O no hydrogen 2.605 N/A THR 287.A N GLU 283.A O no hydrogen 3.322 N/A THR 287.A OG1 GLU 283.A O no hydrogen 2.872 N/A VAL 288.A N VAL 284.A O no hydrogen 3.123 N/A ASN 289.A N THR 285.A O no hydrogen 2.939 N/A THR 290.A N ARG 286.A O no hydrogen 3.294 N/A THR 290.A N THR 287.A O no hydrogen 3.018 N/A THR 290.A OG1 PHE 235.A O no hydrogen 3.533 N/A THR 290.A OG1 THR 287.A O no hydrogen 3.135 N/A ALA 291.A N VAL 288.A O no hydrogen 2.664 N/A ALA 293.A N ASN 289.A O no hydrogen 2.901 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.496 N/A LEU 296.A N VAL 292.A O no hydrogen 2.793 N/A SER 297.A N LEU 294.A O no hydrogen 3.111 N/A SER 297.A OG THR 256.A OG1 no hydrogen 2.867 N/A CYS 298.A N LEU 294.A O no hydrogen 3.130 N/A CYS 298.A SG LEU 294.A O no hydrogen 3.118 N/A CYS 298.A SG THR 295.A O no hydrogen 2.947 N/A GLY 300.A N SER 297.A O no hydrogen 3.081 N/A THR 301.A OG1 LEU 296.A O no hydrogen 2.517 N/A ARG 303.A NE GLU 257.A OE2 no hydrogen 2.806 N/A ARG 303.A NH2 ARG 250.A O no hydrogen 3.391 N/A ARG 303.A NH2 GLU 257.A OE1 no hydrogen 3.323 N/A GLY 305.A N LYS 302.A O no hydrogen 2.697 N/A LYS 308.A N TYR 313.A OH no hydrogen 3.142 N/A THR 311.A N LYS 308.A O no hydrogen 3.350 N/A