Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6u6a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N TYR 8.A O no hydrogen 2.899 N/A GLY 5.A N GLU 73.A OE2 no hydrogen 3.057 N/A TYR 8.A N VAL 4.A O no hydrogen 2.998 N/A LYS 9.A N THR 26.A O no hydrogen 2.837 N/A ILE 10.A N SER 2.A O no hydrogen 3.037 N/A GLY 11.A N GLU 24.A O no hydrogen 2.738 N/A LYS 12.A NZ LYS 13.A O no hydrogen 2.545 N/A ILE 14.A N ILE 22.A O no hydrogen 2.700 N/A GLY 15.A N ILE 22.A O no hydrogen 2.822 N/A GLY 20.A N GLU 16.A O no hydrogen 3.218 N/A VAL 21.A N PHE 19.A O no hydrogen 2.554 N/A PHE 23.A N ILE 36.A O no hydrogen 2.818 N/A GLU 24.A N LYS 12.A O no hydrogen 2.750 N/A GLY 25.A N VAL 34.A O no hydrogen 2.717 N/A THR 26.A N LYS 9.A O no hydrogen 3.123 N/A ASN 27.A N VAL 32.A O no hydrogen 2.828 N/A ILE 28.A N HIS 7.A O no hydrogen 2.663 N/A ILE 29.A N ASN 27.A OD1 no hydrogen 2.753 N/A ASN 30.A N ASN 27.A OD1 no hydrogen 3.272 N/A GLY 31.A N ASN 27.A O no hydrogen 2.729 N/A VAL 32.A N ASN 30.A OD1 no hydrogen 2.885 N/A VAL 34.A N GLY 25.A O no hydrogen 2.702 N/A ALA 35.A N ILE 81.A O no hydrogen 2.791 N/A ILE 36.A N PHE 23.A O no hydrogen 2.821 N/A LYS 37.A N LEU 79.A O no hydrogen 2.879 N/A LYS 37.A NZ GLU 51.A OE1 no hydrogen 3.474 N/A LYS 37.A NZ GLU 51.A OE2 no hydrogen 2.874 N/A PHE 38.A N VAL 21.A O no hydrogen 3.036 N/A ARG 41.A N LEU 75.A O no hydrogen 3.253 N/A GLN 47.A N GLU 39.A OE1 no hydrogen 2.922 N/A GLN 47.A NE2 GLY 152.A O no hydrogen 3.151 N/A LEU 48.A N GLU 39.A OE1 no hydrogen 3.095 N/A GLU 51.A N GLN 47.A O no hydrogen 2.919 N/A TYR 52.A N LEU 48.A O no hydrogen 2.918 N/A ARG 53.A N ARG 49.A O no hydrogen 3.061 N/A THR 54.A N ASP 50.A O no hydrogen 2.986 N/A THR 54.A OG1 ASP 50.A O no hydrogen 2.550 N/A TYR 55.A N GLU 51.A O no hydrogen 3.026 N/A TYR 55.A OH GLU 51.A OE1 no hydrogen 3.047 N/A LYS 56.A N TYR 52.A O no hydrogen 3.051 N/A LYS 56.A NZ GLN 59.A OE1 no hydrogen 3.498 N/A HIS 57.A N ARG 53.A O no hydrogen 2.682 N/A HIS 57.A NE2 HIS 121.A O no hydrogen 3.056 N/A LEU 58.A N THR 54.A O no hydrogen 2.967 N/A GLN 59.A N LYS 56.A O no hydrogen 3.029 N/A CYS 61.A N LEU 58.A O no hydrogen 3.265 N/A CYS 61.A SG LEU 58.A O no hydrogen 3.393 N/A CYS 61.A SG GLU 117.A OE1 no hydrogen 3.808 N/A ILE 64.A N CYS 61.A O no hydrogen 3.419 N/A ASN 66.A N ASP 82.A OD2 no hydrogen 2.706 N/A ASN 66.A ND2 TYR 68.A OH no hydrogen 3.317 N/A TYR 68.A N VAL 80.A O no hydrogen 2.766 N/A TYR 68.A OH ASP 82.A OD1 no hydrogen 2.490 N/A GLY 71.A N ILE 78.A O no hydrogen 3.139 N/A GLY 74.A N GLN 72.A OE1 no hydrogen 3.383 N/A ASN 77.A N GLU 39.A O no hydrogen 2.473 N/A LEU 79.A N LYS 37.A O no hydrogen 2.950 N/A VAL 80.A N TYR 69.A O no hydrogen 2.900 N/A ILE 81.A N ALA 35.A O no hydrogen 2.917 N/A ASP 82.A N ASN 66.A O no hydrogen 3.110 N/A GLY 85.A N ILE 135.A O no hydrogen 2.714 N/A SER 87.A N ASP 90.A OD2 no hydrogen 3.262 N/A LEU 88.A N PHE 133.A O no hydrogen 2.776 N/A GLU 89.A N PRO 130.A O no hydrogen 3.260 N/A ASP 90.A N SER 87.A OG no hydrogen 3.062 N/A LEU 91.A N SER 87.A O no hydrogen 2.953 N/A PHE 92.A N LEU 88.A O no hydrogen 2.814 N/A ASP 93.A N GLU 89.A O no hydrogen 3.075 N/A TRP 94.A N ASP 90.A O no hydrogen 3.105 N/A CYS 95.A N LEU 91.A O no hydrogen 2.850 N/A CYS 95.A SG LEU 91.A O no hydrogen 2.914 N/A GLY 96.A N ASP 93.A O no hydrogen 3.128 N/A ARG 97.A N PHE 92.A O no hydrogen 2.645 N/A ARG 97.A NH1 GLU 89.A OE2 no hydrogen 2.973 N/A ARG 97.A NH1 ASP 93.A OD1 no hydrogen 3.203 N/A ARG 97.A NH2 TYR 206.A OH no hydrogen 2.749 N/A PHE 99.A N PHE 207.A O no hydrogen 3.078 N/A SER 100.A N ASP 290.A OD2 no hydrogen 2.605 N/A SER 100.A OG THR 103.A OG1 no hydrogen 3.235 N/A SER 100.A OG ASP 290.A OD1 no hydrogen 2.687 N/A SER 100.A OG ASP 290.A OD2 no hydrogen 3.163 N/A LYS 102.A NZ ASP 286.A OD1 no hydrogen 2.824 N/A LYS 102.A NZ ASP 286.A OD2 no hydrogen 3.148 N/A THR 103.A N SER 100.A OG no hydrogen 3.097 N/A THR 103.A OG1 SER 100.A OG no hydrogen 3.235 N/A THR 103.A OG1 ASP 290.A OD1 no hydrogen 2.768 N/A VAL 104.A N SER 100.A O no hydrogen 2.946 N/A VAL 105.A N VAL 101.A O no hydrogen 2.971 N/A GLN 106.A N LYS 102.A O no hydrogen 3.111 N/A GLN 106.A NE2 ASP 288.A O no hydrogen 2.764 N/A VAL 107.A N THR 103.A O no hydrogen 2.974 N/A ALA 108.A N VAL 104.A O no hydrogen 2.735 N/A ILE 109.A N VAL 105.A O no hydrogen 2.995 N/A GLN 110.A N GLN 106.A O no hydrogen 3.382 N/A MET 111.A N VAL 107.A O no hydrogen 2.886 N/A LEU 112.A N ALA 108.A O no hydrogen 2.817 N/A THR 113.A N ILE 109.A O no hydrogen 2.962 N/A THR 113.A OG1 ILE 109.A O no hydrogen 2.896 N/A LEU 114.A N GLN 110.A O no hydrogen 2.847 N/A VAL 115.A N MET 111.A O no hydrogen 2.925 N/A GLU 116.A N LEU 112.A O no hydrogen 2.883 N/A GLU 117.A N THR 113.A O no hydrogen 3.005 N/A VAL 118.A N LEU 114.A O no hydrogen 3.082 N/A HIS 119.A N VAL 115.A O no hydrogen 2.802 N/A HIS 119.A ND1 TYR 267.A OH no hydrogen 2.530 N/A HIS 119.A NE2 ASP 196.A OD2 no hydrogen 2.791 N/A ARG 120.A N GLU 116.A O no hydrogen 2.697 N/A HIS 121.A N GLU 117.A O no hydrogen 3.259 N/A HIS 121.A N VAL 118.A O no hydrogen 3.058 N/A HIS 121.A ND1 GLU 117.A O no hydrogen 2.640 N/A ASP 122.A N HIS 119.A O no hydrogen 2.948 N/A LEU 123.A N VAL 118.A O no hydrogen 3.378 N/A ILE 124.A N LYS 155.A O no hydrogen 2.871 N/A TYR 125.A N ASP 196.A OD2 no hydrogen 2.805 N/A TYR 125.A OH ILE 149.A O no hydrogen 2.726 N/A TYR 125.A OH ASP 150.A O no hydrogen 2.905 N/A ARG 126.A N ASP 196.A OD1 no hydrogen 2.875 N/A ARG 126.A NE MET 153.A O no hydrogen 2.776 N/A ARG 126.A NH2 MET 153.A O no hydrogen 3.173 N/A ASN 132.A N LYS 129.A O no hydrogen 3.335 N/A ASN 132.A ND2 TYR 125.A OH no hydrogen 3.019 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 3.543 N/A ASN 132.A ND2 ASP 127.A OD2 no hydrogen 3.396 N/A PHE 133.A N PRO 130.A O no hydrogen 3.488 N/A LEU 134.A N HIS 147.A O no hydrogen 2.934 N/A ILE 135.A N PRO 86.A O no hydrogen 2.958 N/A GLY 136.A N GLU 143.A O no hydrogen 2.662 N/A ARG 138.A NH2 TRP 300.A O no hydrogen 2.499 N/A GLY 139.A N GLU 143.A OE1 no hydrogen 2.576 N/A ALA 140.A N ARG 137.A O no hydrogen 3.259 N/A GLU 143.A N ALA 140.A O no hydrogen 3.305 N/A ASN 145.A N ASP 142.A O no hydrogen 3.144 N/A VAL 146.A N GLN 110.A OE1 no hydrogen 2.836 N/A HIS 147.A N LEU 134.A O no hydrogen 2.580 N/A HIS 147.A ND1 LEU 134.A O no hydrogen 2.840 N/A HIS 147.A NE2 ASP 142.A OD2 no hydrogen 2.701 N/A LEU 148.A N GLY 63.A O no hydrogen 2.847 N/A ILE 149.A N ASN 132.A O no hydrogen 3.178 N/A ASP 150.A N TYR 55.A OH no hydrogen 2.958 N/A GLY 152.A N ASP 150.A OD1 no hydrogen 3.425 N/A ALA 154.A N PHE 151.A O no hydrogen 3.342 N/A LYS 155.A N ILE 124.A O no hydrogen 3.131 N/A LYS 155.A NZ GLU 190.A OE2 no hydrogen 3.038 N/A TYR 157.A N ASP 122.A O no hydrogen 3.166 N/A TYR 157.A OH HIS 119.A O no hydrogen 2.887 N/A ARG 158.A NE ASP 122.A OD1 no hydrogen 2.673 N/A ARG 158.A NH2 ARG 120.A O no hydrogen 3.563 N/A ARG 158.A NH2 ASP 122.A OD1 no hydrogen 3.200 N/A ASP 159.A N GLN 164.A O no hydrogen 3.060 N/A ARG 161.A N ASP 159.A OD1 no hydrogen 3.310 N/A THR 162.A N ASP 159.A OD1 no hydrogen 3.093 N/A THR 162.A OG1 ASP 159.A OD1 no hydrogen 3.312 N/A LYS 163.A N ASP 159.A O no hydrogen 2.721 N/A LYS 163.A NZ ASP 122.A OD1 no hydrogen 3.233 N/A LYS 163.A NZ ASP 122.A OD2 no hydrogen 3.543 N/A LYS 163.A NZ PRO 160.A O no hydrogen 2.795 N/A GLN 164.A N THR 162.A OG1 no hydrogen 3.232 N/A HIS 165.A ND1 ILE 166.A O no hydrogen 3.052 N/A ILE 166.A N TYR 157.A O no hydrogen 2.823 N/A TYR 168.A OH GLU 170.A OE2 no hydrogen 2.656 N/A ARG 169.A NE GLU 170.A O no hydrogen 3.581 N/A LYS 172.A N GLY 188.A O no hydrogen 2.929 N/A TYR 180.A N THR 177.A O no hydrogen 3.299 N/A MET 181.A N THR 177.A O no hydrogen 3.130 N/A SER 182.A OG THR 185.A OG1 no hydrogen 2.571 N/A SER 182.A OG ASP 195.A OD1 no hydrogen 2.508 N/A ILE 183.A N GLU 198.A OE2 no hydrogen 2.860 N/A ASN 184.A ND2 ASP 195.A OD1 no hydrogen 3.210 N/A THR 185.A N SER 182.A OG no hydrogen 3.079 N/A THR 185.A OG1 SER 182.A OG no hydrogen 2.571 N/A HIS 186.A N SER 182.A O no hydrogen 3.336 N/A LEU 187.A N ILE 183.A O no hydrogen 3.235 N/A LEU 187.A N ASN 184.A O no hydrogen 3.194 N/A GLY 188.A N THR 185.A O no hydrogen 2.946 N/A ARG 189.A N ASN 184.A O no hydrogen 3.069 N/A ARG 189.A NH1 ASN 184.A OD1 no hydrogen 3.008 N/A GLU 190.A N ARG 169.A O no hydrogen 2.834 N/A SER 192.A N ASP 195.A OD2 no hydrogen 2.976 N/A SER 192.A OG PHE 261.A O no hydrogen 2.689 N/A ARG 193.A NH1 GLU 264.A OE1 no hydrogen 2.903 N/A ARG 193.A NH2 ASP 262.A O no hydrogen 2.851 N/A ARG 194.A NH1 LEU 259.A O no hydrogen 2.664 N/A ASP 195.A N SER 192.A O no hydrogen 2.970 N/A LEU 197.A N ARG 193.A O no hydrogen 3.397 N/A GLU 198.A N ARG 194.A O no hydrogen 2.856 N/A ALA 199.A N ASP 195.A O no hydrogen 3.143 N/A LEU 200.A N ASP 196.A O no hydrogen 3.124 N/A GLY 201.A N LEU 197.A O no hydrogen 2.974 N/A HIS 202.A N GLU 198.A O no hydrogen 3.040 N/A HIS 202.A ND1 TYR 180.A O no hydrogen 2.730 N/A VAL 203.A N ALA 199.A O no hydrogen 3.060 N/A PHE 204.A N LEU 200.A O no hydrogen 2.880 N/A PHE 205.A N GLY 201.A O no hydrogen 3.226 N/A TYR 206.A N HIS 202.A O no hydrogen 2.891 N/A TYR 206.A OH GLU 89.A OE1 no hydrogen 2.793 N/A TYR 206.A OH GLU 89.A OE2 no hydrogen 3.165 N/A PHE 207.A N VAL 203.A O no hydrogen 2.753 N/A LEU 208.A N PHE 204.A O no hydrogen 2.886 N/A ARG 209.A N PHE 205.A O no hydrogen 2.814 N/A ARG 209.A NE GLN 211.A O no hydrogen 2.980 N/A ARG 209.A NH2 LEU 241.A O no hydrogen 2.918 N/A GLY 210.A N TYR 206.A O no hydrogen 2.928 N/A LEU 212.A N GLN 215.A OE1 no hydrogen 2.779 N/A TRP 214.A NE1 ARG 179.A O no hydrogen 2.741 N/A GLN 215.A N LEU 212.A O no hydrogen 2.913 N/A GLN 224.A N THR 221.A OG1 no hydrogen 3.197 N/A LYS 225.A N THR 221.A O no hydrogen 2.985 N/A TYR 226.A N ASN 222.A O no hydrogen 2.754 N/A GLU 227.A N LYS 223.A O no hydrogen 3.053 N/A LYS 228.A N GLN 224.A O no hydrogen 3.054 N/A LYS 228.A NZ LYS 218.A O no hydrogen 2.764 N/A ILE 229.A N LYS 225.A O no hydrogen 3.076 N/A GLY 230.A N TYR 226.A O no hydrogen 2.934 N/A ASP 231.A N GLU 227.A O no hydrogen 2.821 N/A LYS 232.A N LYS 228.A O no hydrogen 2.946 N/A LYS 232.A NZ THR 236.A OG1 no hydrogen 2.863 N/A LYS 233.A N ILE 229.A O no hydrogen 2.981 N/A LYS 233.A NZ ALA 178.A O no hydrogen 2.670 N/A LYS 233.A NZ MET 181.A O no hydrogen 2.655 N/A LYS 233.A NZ HIS 186.A NE2 no hydrogen 2.892 N/A ARG 234.A N GLY 230.A O no hydrogen 3.305 N/A ARG 234.A N ASP 231.A O no hydrogen 3.195 N/A THR 235.A N ASP 231.A O no hydrogen 3.151 N/A THR 235.A OG1 ASP 231.A O no hydrogen 3.103 N/A THR 236.A OG1 LYS 232.A O no hydrogen 2.634 N/A THR 240.A N PRO 237.A O no hydrogen 2.860 N/A LEU 241.A N PRO 237.A O no hydrogen 3.215 N/A CYS 242.A N ALA 238.A O no hydrogen 3.199 N/A CYS 242.A SG PRO 246.A O no hydrogen 3.033 N/A ASP 243.A N THR 240.A O no hydrogen 3.267 N/A LEU 245.A N CYS 242.A O no hydrogen 2.921 N/A GLN 248.A N GLN 248.A OE1 no hydrogen 2.561 N/A GLN 248.A NE2 SER 276.A OG no hydrogen 3.151 N/A GLN 248.A NE2 ASP 280.A OD2 no hydrogen 3.071 N/A PHE 249.A N PRO 246.A O no hydrogen 3.137 N/A GLU 251.A N GLN 247.A O no hydrogen 2.989 N/A TYR 252.A N GLN 248.A O no hydrogen 2.884 N/A TYR 252.A OH LEU 197.A O no hydrogen 2.941 N/A LEU 253.A N PHE 249.A O no hydrogen 3.099 N/A ASP 254.A N ALA 250.A O no hydrogen 2.974 N/A SER 255.A N GLU 251.A O no hydrogen 2.934 N/A SER 255.A OG TYR 270.A OH no hydrogen 2.994 N/A VAL 256.A N TYR 252.A O no hydrogen 3.043 N/A ARG 257.A N LEU 253.A O no hydrogen 3.088 N/A ARG 257.A NE GLU 198.A OE2 no hydrogen 3.218 N/A ARG 257.A NH1 HIS 202.A NE2 no hydrogen 3.048 N/A SER 258.A N SER 255.A O no hydrogen 3.030 N/A SER 258.A OG ASP 254.A O no hydrogen 3.352 N/A SER 258.A OG SER 255.A O no hydrogen 2.922 N/A LEU 259.A N VAL 256.A O no hydrogen 3.419 N/A ALA 263.A N PRO 260.A O no hydrogen 3.185 N/A TYR 267.A N PRO 265.A O no hydrogen 3.026 N/A TYR 267.A OH HIS 119.A ND1 no hydrogen 2.530 N/A TYR 270.A N PRO 266.A O no hydrogen 2.893 N/A TYR 270.A OH SER 255.A OG no hydrogen 2.994 N/A ARG 271.A N TYR 267.A O no hydrogen 2.878 N/A ARG 271.A NE GLU 268.A OE1 no hydrogen 2.746 N/A ARG 271.A NH1 GLU 116.A OE2 no hydrogen 2.623 N/A ARG 271.A NH2 GLU 116.A OE2 no hydrogen 2.891 N/A ARG 271.A NH2 GLU 268.A OE1 no hydrogen 2.716 N/A MET 272.A N GLU 268.A O no hydrogen 2.901 N/A LEU 273.A N GLU 269.A O no hydrogen 2.926 N/A LEU 274.A N TYR 270.A O no hydrogen 3.115 N/A LEU 275.A N ARG 271.A O no hydrogen 2.901 N/A SER 276.A N MET 272.A O no hydrogen 2.989 N/A SER 276.A OG LEU 273.A O no hydrogen 2.670 N/A VAL 277.A N LEU 274.A O no hydrogen 3.033 N/A LEU 278.A N LEU 275.A O no hydrogen 3.059 N/A ASP 280.A N SER 276.A O no hydrogen 2.994 N/A LEU 281.A N VAL 277.A O no hydrogen 3.135 N/A LEU 281.A N LEU 278.A O no hydrogen 3.308 N/A GLY 282.A N ASP 279.A O no hydrogen 3.185 N/A GLN 283.A N LEU 278.A O no hydrogen 2.800 N/A GLN 283.A NE2 LEU 281.A O no hydrogen 3.222 N/A GLY 287.A N GLN 106.A OE1 no hydrogen 3.023 N/A ASP 288.A N ASP 286.A OD1 no hydrogen 3.001 N/A ASP 290.A N THR 103.A OG1 no hydrogen 2.884 N/A TRP 291.A NE1 ASN 144.A OD1 no hydrogen 2.475 N/A MET 292.A N MET 289.A O no hydrogen 3.042 N/A HIS 293.A N ASP 290.A O no hydrogen 3.098 N/A HIS 293.A NE2 ASP 288.A OD2 no hydrogen 3.121 N/A LEU 294.A N TRP 291.A O no hydrogen 3.365 N/A ASN 295.A ND2 GLY 299.A O no hydrogen 2.493 N/A ASN 295.A ND2 ASN 305.A OD1 no hydrogen 3.196 N/A GLY 297.A N LEU 294.A O no hydrogen 3.102 N/A ARG 298.A N LEU 294.A O no hydrogen 3.138 N/A ARG 298.A N ASN 295.A O no hydrogen 3.377 N/A ARG 298.A NH1 ASN 295.A O no hydrogen 3.061 N/A GLY 299.A N LEU 294.A O no hydrogen 2.902 N/A ASP 301.A N ASN 305.A OD1 no hydrogen 2.928 N/A ASN 305.A N ASP 301.A O no hydrogen 3.046 N/A LYS 306.A NZ LYS 306.A O no hydrogen 2.685 N/A