Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 9.A N PHE 7.A O no hydrogen 2.998 N/A HIS 12.A N TYR 22.A O no hydrogen 3.308 N/A HIS 12.A NE2 ASP 10.A OD2 no hydrogen 2.518 N/A VAL 16.A N GLU 19.A O no hydrogen 2.678 N/A GLU 19.A N VAL 16.A O no hydrogen 2.818 N/A ARG 20.A N ASP 70.A OD2 no hydrogen 2.784 N/A HIS 21.A N SER 69.A OG no hydrogen 3.014 N/A HIS 21.A ND1 ASP 63.A OD2 no hydrogen 2.871 N/A TYR 22.A N HIS 12.A O no hydrogen 2.963 N/A VAL 23.A N ALA 61.A O no hydrogen 2.980 N/A VAL 25.A N CYS 59.A O no hydrogen 3.167 N/A ASP 29.A N ASP 29.A OD1 no hydrogen 2.419 N/A VAL 33.A N ARG 58.A O no hydrogen 2.710 N/A LEU 34.A N VAL 98.A O no hydrogen 2.662 N/A PHE 35.A N ILE 60.A O no hydrogen 2.741 N/A LEU 36.A N VAL 100.A O no hydrogen 2.772 N/A HIS 37.A ND1 GLY 38.A O no hydrogen 2.730 N/A ASN 39.A N ASP 103.A OD2 no hydrogen 2.868 N/A THR 41.A N GLY 38.A O no hydrogen 3.066 N/A THR 41.A OG1 GLY 38.A O no hydrogen 3.005 N/A SER 43.A N ASP 63.A OD1 no hydrogen 2.787 N/A SER 43.A OG ASP 63.A OD1 no hydrogen 2.775 N/A TYR 44.A N SER 42.A OG no hydrogen 3.351 N/A TYR 44.A OH THR 5.A O no hydrogen 2.759 N/A LEU 45.A N SER 42.A O no hydrogen 2.992 N/A TRP 46.A N SER 43.A O no hydrogen 2.747 N/A ARG 47.A N TYR 44.A O no hydrogen 3.211 N/A ARG 47.A NE GLY 4.A O no hydrogen 3.009 N/A ARG 47.A NH1 TYR 44.A O no hydrogen 2.909 N/A ARG 47.A NH1 GLU 269.A OE1 no hydrogen 3.441 N/A ARG 47.A NH1 GLU 269.A OE2 no hydrogen 2.692 N/A ARG 47.A NH2 GLY 4.A O no hydrogen 3.470 N/A ARG 47.A NH2 GLU 269.A OE1 no hydrogen 2.689 N/A ARG 47.A NH2 GLU 269.A OE2 no hydrogen 3.274 N/A ASN 48.A ND2 GLY 4.A O no hydrogen 2.831 N/A ILE 49.A N TRP 46.A O no hydrogen 3.025 N/A ILE 50.A N TRP 46.A O no hydrogen 2.924 N/A HIS 52.A N ILE 49.A O no hydrogen 3.026 N/A HIS 52.A NE2 ASP 273.A OD1 no hydrogen 2.969 N/A VAL 53.A N ILE 50.A O no hydrogen 2.919 N/A ALA 54.A N ILE 50.A O no hydrogen 2.819 N/A SER 56.A N VAL 53.A O no hydrogen 3.000 N/A SER 56.A OG HIS 57.A ND1 no hydrogen 2.571 N/A HIS 57.A N VAL 53.A O no hydrogen 2.964 N/A HIS 57.A ND1 SER 56.A OG no hydrogen 2.571 N/A ARG 58.A NE ASP 24.A OD1 no hydrogen 2.969 N/A ARG 58.A NH2 ASP 24.A OD2 no hydrogen 2.842 N/A CYS 59.A N VAL 25.A O no hydrogen 2.885 N/A CYS 59.A SG ILE 50.A O no hydrogen 3.994 N/A CYS 59.A SG HIS 57.A O no hydrogen 3.558 N/A ILE 60.A N VAL 33.A O no hydrogen 2.844 N/A ALA 61.A N VAL 23.A O no hydrogen 3.088 N/A ASP 63.A N HIS 21.A O no hydrogen 2.775 N/A LEU 64.A N HIS 37.A NE2 no hydrogen 3.214 N/A GLY 66.A N ASP 70.A O no hydrogen 3.039 N/A LYS 68.A N ASP 63.A OD2 no hydrogen 2.781 N/A SER 69.A OG ASP 63.A O no hydrogen 2.607 N/A ASP 70.A N ARG 20.A O no hydrogen 2.764 N/A LYS 71.A NZ GLY 67.A O no hydrogen 3.457 N/A LYS 71.A NZ SER 69.A O no hydrogen 3.394 N/A LEU 74.A N PRO 72.A O no hydrogen 3.002 N/A TYR 76.A OH PRO 72.A O no hydrogen 2.639 N/A PHE 77.A N ASP 80.A OD2 no hydrogen 3.152 N/A PHE 78.A N GLU 202.A OE2 no hydrogen 2.872 N/A HIS 81.A N PHE 77.A O no hydrogen 3.355 N/A VAL 82.A N PHE 78.A O no hydrogen 2.854 N/A ARG 83.A N.A ASP 79.A O no hydrogen 3.077 N/A ARG 83.A N.B ASP 79.A O no hydrogen 3.075 N/A ARG 83.A NH2.B ASP 79.A OD1 no hydrogen 3.467 N/A TYR 84.A N ASP 80.A O no hydrogen 3.135 N/A LEU 85.A N HIS 81.A O no hydrogen 3.028 N/A ASP 86.A N VAL 82.A O no hydrogen 2.953 N/A ALA 87.A N ARG 83.A O.A no hydrogen 3.164 N/A ALA 87.A N ARG 83.A O.B no hydrogen 3.192 N/A PHE 88.A N TYR 84.A O no hydrogen 2.800 N/A ILE 89.A N LEU 85.A O no hydrogen 2.838 N/A GLU 90.A N ASP 86.A O no hydrogen 3.172 N/A ALA 91.A N ALA 87.A O no hydrogen 2.725 N/A LEU 92.A N PHE 88.A O no hydrogen 2.993 N/A GLY 93.A N GLU 90.A O no hydrogen 2.973 N/A LEU 94.A N ILE 89.A O no hydrogen 3.329 N/A VAL 97.A N ARG 119.A O no hydrogen 2.763 N/A VAL 98.A N PRO 32.A O no hydrogen 3.023 N/A LEU 99.A N GLY 122.A O no hydrogen 2.996 N/A VAL 100.A N LEU 34.A O no hydrogen 2.831 N/A ILE 101.A N ALA 124.A O no hydrogen 2.909 N/A HIS 102.A N LEU 36.A O no hydrogen 3.138 N/A HIS 102.A NE2 PHE 265.A O no hydrogen 3.000 N/A ASP 103.A N GLU 126.A O no hydrogen 3.039 N/A SER 106.A N HIS 102.A O no hydrogen 3.088 N/A SER 106.A N ASP 103.A O no hydrogen 2.916 N/A SER 106.A OG ASP 103.A O no hydrogen 2.451 N/A ALA 107.A N ASP 103.A O no hydrogen 3.349 N/A LEU 108.A N TRP 104.A O no hydrogen 3.007 N/A GLY 109.A N GLY 105.A O no hydrogen 2.974 N/A PHE 110.A N SER 106.A O no hydrogen 2.745 N/A HIS 111.A N ALA 107.A O no hydrogen 2.919 N/A TRP 112.A N LEU 108.A O no hydrogen 2.848 N/A ALA 113.A N GLY 109.A O no hydrogen 2.760 N/A LYS 114.A N PHE 110.A O no hydrogen 3.054 N/A ARG 115.A N HIS 111.A O no hydrogen 3.388 N/A ARG 115.A NE HIS 111.A O no hydrogen 3.220 N/A ARG 115.A NH1 ASP 86.A OD2 no hydrogen 2.838 N/A ARG 115.A NH2 ASP 86.A OD1 no hydrogen 3.014 N/A ARG 115.A NH2 ASP 86.A OD2 no hydrogen 3.478 N/A ASN 116.A N TRP 112.A O no hydrogen 2.933 N/A ASN 116.A N ALA 113.A O no hydrogen 3.096 N/A ASN 116.A ND2 TRP 112.A O no hydrogen 2.894 N/A GLU 118.A N GLU 118.A OE1 no hydrogen 2.635 N/A ARG 119.A N ASN 116.A O no hydrogen 3.011 N/A ARG 119.A NE GLU 95.A O no hydrogen 2.942 N/A ARG 119.A NH2 GLU 90.A OE2 no hydrogen 3.155 N/A ARG 119.A NH2 LEU 94.A O no hydrogen 3.063 N/A VAL 120.A N PRO 117.A O no hydrogen 3.295 N/A LYS 121.A N VAL 97.A O no hydrogen 2.869 N/A LYS 121.A NZ GLU 118.A O no hydrogen 2.945 N/A ILE 123.A N PRO 228.A O no hydrogen 3.030 N/A ALA 124.A N LEU 99.A O no hydrogen 2.701 N/A CYS 125.A N LEU 230.A O no hydrogen 2.775 N/A ILE 128.A N SER 106.A OG no hydrogen 2.930 N/A ARG 129.A NE LEU 239.A O no hydrogen 3.088 N/A ARG 129.A NH2 LEU 239.A O no hydrogen 3.556 N/A ILE 131.A N PRO 204.A O no hydrogen 2.922 N/A THR 133.A OG1 GLU 136.A OE2 no hydrogen 3.161 N/A GLU 136.A N THR 133.A O no hydrogen 3.175 N/A TRP 137.A N TRP 134.A O no hydrogen 2.776 N/A TRP 137.A NE1 ALA 141.A O no hydrogen 3.063 N/A ALA 141.A N PRO 138.A O no hydrogen 3.014 N/A ARG 142.A N GLU 139.A O no hydrogen 2.965 N/A ARG 142.A NE TRP 134.A O no hydrogen 3.244 N/A ARG 142.A NE TRP 137.A O no hydrogen 3.337 N/A ARG 142.A NH2 TRP 137.A O no hydrogen 2.876 N/A PHE 145.A N ALA 141.A O no hydrogen 3.308 N/A GLN 146.A N ARG 142.A O no hydrogen 2.948 N/A ALA 147.A N GLU 143.A O no hydrogen 3.054 N/A PHE 148.A N THR 144.A O no hydrogen 3.060 N/A ARG 149.A N PHE 145.A O no hydrogen 3.157 N/A ARG 149.A N GLN 146.A O no hydrogen 3.232 N/A ARG 149.A NH1 LEU 203.A O no hydrogen 3.434 N/A ARG 149.A NH1 GLU 208.A O no hydrogen 2.865 N/A ARG 149.A NH2 PRO 200.A O no hydrogen 2.927 N/A ARG 149.A NH2 LEU 203.A O no hydrogen 2.708 N/A THR 150.A N ALA 147.A O no hydrogen 3.121 N/A THR 150.A OG1 ALA 147.A O no hydrogen 2.672 N/A VAL 153.A N ALA 151.A O no hydrogen 2.460 N/A GLY 154.A N THR 150.A O no hydrogen 2.904 N/A ARG 155.A NH1 GLU 194.A OE2 no hydrogen 3.016 N/A ARG 155.A NH2 GLU 194.A OE1 no hydrogen 2.873 N/A GLU 156.A N ASP 152.A O no hydrogen 3.187 N/A LEU 157.A N VAL 153.A O no hydrogen 3.043 N/A ILE 158.A N GLY 154.A O no hydrogen 2.886 N/A ILE 159.A N ARG 155.A O no hydrogen 2.673 N/A ASP 160.A N ARG 155.A O no hydrogen 3.355 N/A GLN 161.A N GLU 156.A O no hydrogen 2.916 N/A ALA 163.A N LEU 157.A O no hydrogen 2.740 N/A GLU 166.A N ASN 162.A O no hydrogen 3.002 N/A GLY 167.A N ALA 163.A O no hydrogen 2.659 N/A ALA 168.A N ALA 163.A O no hydrogen 3.092 N/A LEU 169.A N PHE 164.A O no hydrogen 2.962 N/A VAL 172.A N PRO 170.A O no hydrogen 3.327 N/A VAL 173.A N ASP 270.A OD2 no hydrogen 2.902 N/A ARG 174.A N ASP 270.A OD1 no hydrogen 2.953 N/A ARG 174.A NE GLU 269.A O no hydrogen 2.552 N/A ARG 174.A NH1 GLU 180.A OE1 no hydrogen 3.061 N/A ARG 174.A NH1 GLU 180.A OE2 no hydrogen 3.462 N/A ARG 174.A NH2 GLU 180.A OE2 no hydrogen 2.800 N/A ARG 174.A NH2 GLU 269.A O no hydrogen 3.513 N/A ARG 174.A NH2 GLU 269.A OE1 no hydrogen 2.746 N/A THR 177.A N GLU 180.A OE1 no hydrogen 2.909 N/A THR 177.A OG1 GLU 180.A OE1 no hydrogen 3.448 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.331 N/A HIS 182.A N VAL 179.A O no hydrogen 3.280 N/A TYR 183.A N GLU 180.A O no hydrogen 3.223 N/A TYR 183.A OH GLU 269.A OE2 no hydrogen 2.595 N/A ARG 184.A NE GLU 166.A OE2 no hydrogen 2.871 N/A ARG 184.A NH1 GLU 178.A OE2 no hydrogen 2.868 N/A ARG 184.A NH1 ASP 181.A OD1 no hydrogen 3.035 N/A ARG 184.A NH2 GLU 166.A OE1 no hydrogen 2.968 N/A GLU 185.A N HIS 182.A O no hydrogen 3.319 N/A PHE 187.A N ARG 184.A O no hydrogen 2.932 N/A ASP 192.A N LYS 189.A O no hydrogen 2.922 N/A ARG 193.A N PRO 190.A O no hydrogen 3.011 N/A ARG 193.A NE PHE 187.A O no hydrogen 2.981 N/A ARG 193.A NH1 ILE 159.A O no hydrogen 2.644 N/A ARG 193.A NH2 PHE 187.A O no hydrogen 3.130 N/A LEU 196.A N ARG 193.A O no hydrogen 2.886 N/A TRP 197.A N GLU 194.A O no hydrogen 3.033 N/A ARG 198.A N GLU 194.A O no hydrogen 3.122 N/A PHE 199.A N PRO 195.A O no hydrogen 3.129 N/A ASN 201.A ND2 PHE 148.A O no hydrogen 3.241 N/A ASN 201.A ND2 TRP 197.A O no hydrogen 2.764 N/A GLU 202.A N PHE 199.A O no hydrogen 2.732 N/A ILE 205.A N LEU 203.A O no hydrogen 2.823 N/A ILE 205.A N GLU 208.A O no hydrogen 3.180 N/A ALA 206.A N ILE 131.A O no hydrogen 2.634 N/A GLU 208.A N ILE 205.A O no hydrogen 3.216 N/A VAL 213.A N PRO 209.A O no hydrogen 3.152 N/A ALA 214.A N ALA 210.A O no hydrogen 3.137 N/A LEU 215.A N ASN 211.A O no hydrogen 3.173 N/A VAL 216.A N ILE 212.A O no hydrogen 2.951 N/A GLU 217.A N VAL 213.A O no hydrogen 2.895 N/A ALA 218.A N ALA 214.A O no hydrogen 2.966 N/A TYR 219.A N LEU 215.A O no hydrogen 3.074 N/A TYR 219.A OH ILE 128.A O no hydrogen 2.644 N/A TRP 221.A N ALA 218.A O no hydrogen 2.956 N/A LEU 222.A N TYR 219.A O no hydrogen 2.814 N/A GLN 224.A N ASN 220.A O no hydrogen 3.190 N/A GLN 224.A N TRP 221.A O no hydrogen 3.139 N/A SER 225.A N LEU 222.A O no hydrogen 3.254 N/A VAL 227.A N SER 225.A OG no hydrogen 3.109 N/A LYS 229.A N ASN 254.A O no hydrogen 2.889 N/A LYS 229.A NZ SER 225.A O no hydrogen 2.581 N/A LYS 229.A NZ VAL 227.A O no hydrogen 2.840 N/A LYS 229.A NZ PRO 253.A O no hydrogen 2.858 N/A LEU 230.A N ILE 123.A O no hydrogen 2.878 N/A LEU 231.A N LYS 256.A O no hydrogen 2.878 N/A PHE 232.A N CYS 125.A O no hydrogen 2.963 N/A TRP 233.A N VAL 258.A O no hydrogen 2.934 N/A THR 235.A N GLY 261.A O no hydrogen 3.153 N/A GLY 237.A N GLY 263.A O no hydrogen 2.833 N/A VAL 238.A N GLU 126.A OE1 no hydrogen 3.244 N/A VAL 238.A N GLU 126.A OE2 no hydrogen 3.178 N/A LEU 239.A N GLU 126.A OE1 no hydrogen 2.829 N/A ILE 240.A N GLU 126.A OE2 no hydrogen 3.201 N/A GLU 244.A N PRO 241.A O no hydrogen 2.830 N/A ALA 245.A N PRO 241.A O no hydrogen 3.122 N/A ALA 246.A N PRO 242.A O no hydrogen 3.025 N/A ARG 247.A N ALA 243.A O no hydrogen 3.175 N/A ARG 247.A NH2 GLU 244.A OE1 no hydrogen 2.753 N/A LEU 248.A N GLU 244.A O no hydrogen 2.876 N/A ALA 249.A N ALA 245.A O no hydrogen 2.761 N/A GLU 250.A N ARG 247.A O no hydrogen 3.141 N/A SER 251.A N ARG 247.A O no hydrogen 2.988 N/A SER 251.A OG ARG 247.A O no hydrogen 3.548 N/A LEU 252.A N LEU 248.A O no hydrogen 2.883 N/A ASN 254.A ND2 PRO 226.A O no hydrogen 2.758 N/A LYS 256.A N LYS 229.A O no hydrogen 2.939 N/A VAL 258.A N LEU 231.A O no hydrogen 2.891 N/A ILE 260.A N TRP 233.A O no hydrogen 2.941 N/A GLY 261.A N ASP 259.A OD1 no hydrogen 2.783 N/A GLY 263.A N THR 235.A O no hydrogen 2.936 N/A PHE 265.A N GLY 171.A O no hydrogen 2.947 N/A LEU 266.A N GLY 171.A O no hydrogen 2.916 N/A LEU 267.A N PHE 265.A O no hydrogen 3.040 N/A GLN 268.A N GLN 268.A OE1 no hydrogen 2.620 N/A GLU 269.A N LEU 266.A O no hydrogen 2.951 N/A ASP 270.A N LEU 267.A O no hydrogen 3.010 N/A ASN 271.A N LEU 267.A O no hydrogen 3.061 N/A ASN 271.A ND2 ILE 260.A O no hydrogen 2.819 N/A LEU 274.A N ASN 271.A OD1 no hydrogen 3.231 N/A ILE 275.A N ASN 271.A O no hydrogen 3.178 N/A GLY 276.A N PRO 272.A O no hydrogen 2.857 N/A SER 277.A N ASP 273.A O no hydrogen 2.998 N/A SER 277.A OG ASP 273.A O no hydrogen 2.582 N/A SER 277.A OG LEU 274.A O no hydrogen 3.508 N/A GLU 278.A N LEU 274.A O no hydrogen 2.953 N/A ILE 279.A N ILE 275.A O no hydrogen 3.047 N/A ALA 280.A N GLY 276.A O no hydrogen 3.043 N/A ARG 281.A N SER 277.A O no hydrogen 3.013 N/A TRP 282.A N GLU 278.A O no hydrogen 3.064 N/A TRP 282.A N ILE 279.A O no hydrogen 3.068 N/A LEU 283.A N ILE 279.A O no hydrogen 2.885 N/A LEU 286.A N LEU 283.A O no hydrogen 2.954 N/A GLY 288.A N GLY 285.A O no hydrogen 3.183 N/A