Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6krz_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 8.A N HIS 27.A O no hydrogen 2.854 N/A TYR 10.A N LEU 24.A O no hydrogen 2.916 N/A LEU 13.A N TYR 10.A O no hydrogen 3.198 N/A LEU 17.A N PRO 14.A O no hydrogen 3.177 N/A TYR 22.A N ASN 20.A OD1 no hydrogen 3.117 N/A LEU 23.A N ASN 20.A O no hydrogen 3.402 N/A LEU 24.A N ASP 244.A OD1 no hydrogen 2.912 N/A HIS 25.A N ASP 244.A OD2 no hydrogen 3.238 N/A GLY 26.A N HIS 25.A ND1 no hydrogen 3.017 N/A HIS 27.A N ILE 8.A O no hydrogen 3.269 N/A HIS 27.A NE2 LEU 23.A O no hydrogen 2.700 N/A ARG 28.A NH1 SER 40.A OG no hydrogen 2.718 N/A ARG 28.A NH1 THR 105.A O no hydrogen 3.036 N/A ARG 28.A NH2 HIS 104.A O no hydrogen 3.059 N/A ARG 28.A NH2 THR 105.A O no hydrogen 3.372 N/A MET 31.A N CYS 108.A O no hydrogen 2.956 N/A SER 33.A N MET 31.A O no hydrogen 2.760 N/A CYS 37.A N SER 33.A O no hydrogen 3.065 N/A CYS 37.A SG MET 31.A O no hydrogen 3.694 N/A CYS 37.A SG SER 33.A O no hydrogen 3.342 N/A PHE 38.A N PHE 34.A O no hydrogen 2.955 N/A LYS 39.A N ARG 35.A O no hydrogen 3.169 N/A SER 40.A N ALA 36.A O no hydrogen 3.109 N/A SER 40.A N CYS 37.A O no hydrogen 3.240 N/A SER 40.A OG CYS 37.A O no hydrogen 2.414 N/A ILE 41.A N PHE 38.A O no hydrogen 3.343 N/A PHE 42.A N LYS 39.A O no hydrogen 3.354 N/A ARG 43.A N SER 40.A O no hydrogen 3.088 N/A ARG 43.A NH1 TRP 5.A O no hydrogen 3.285 N/A ARG 43.A NH2 TRP 5.A O no hydrogen 3.461 N/A HIS 45.A N THR 48.A OG1 no hydrogen 2.901 N/A HIS 45.A NE2 SER 40.A O no hydrogen 2.641 N/A THR 46.A N GLY 26.A O no hydrogen 3.101 N/A THR 46.A OG1 GLU 47.A OE2 no hydrogen 3.554 N/A GLU 47.A N HIS 45.A ND1 no hydrogen 3.074 N/A THR 48.A N HIS 45.A O no hydrogen 3.404 N/A THR 48.A OG1 ARG 43.A O no hydrogen 2.599 N/A THR 48.A OG1 HIS 45.A O no hydrogen 3.415 N/A ASN 50.A ND2 GLU 47.A OE1 no hydrogen 3.279 N/A ILE 51.A N GLU 47.A O no hydrogen 2.901 N/A TRP 52.A N THR 48.A O no hydrogen 3.186 N/A TRP 52.A NE1 ILE 41.A O no hydrogen 3.013 N/A THR 53.A N GLY 49.A O no hydrogen 3.199 N/A THR 53.A OG1 GLY 49.A O no hydrogen 2.809 N/A THR 53.A OG1 ASN 50.A O no hydrogen 2.854 N/A THR 53.A OG1 HIS 254.A ND1 no hydrogen 2.952 N/A HIS 54.A ND1 SER 100.A OG no hydrogen 2.805 N/A HIS 54.A NE2 HIS 254.A O no hydrogen 3.040 N/A LEU 55.A N ILE 51.A O no hydrogen 2.809 N/A LEU 56.A N TRP 52.A O no hydrogen 3.109 N/A GLY 57.A N THR 53.A O no hydrogen 3.122 N/A PHE 58.A N HIS 54.A O no hydrogen 2.960 N/A LEU 60.A N LEU 56.A O no hydrogen 3.051 N/A PHE 61.A N GLY 57.A O no hydrogen 3.182 N/A LEU 62.A N PHE 58.A O no hydrogen 2.887 N/A PHE 63.A N VAL 59.A O no hydrogen 2.867 N/A LEU 64.A N LEU 60.A O no hydrogen 2.957 N/A GLY 65.A N PHE 61.A O no hydrogen 2.837 N/A ILE 66.A N LEU 62.A O no hydrogen 3.351 N/A LEU 67.A N PHE 63.A O no hydrogen 3.067 N/A THR 68.A N LEU 64.A O no hydrogen 3.216 N/A THR 68.A OG1 LEU 64.A O no hydrogen 3.223 N/A MET 69.A N GLY 65.A O no hydrogen 2.895 N/A LEU 70.A N ILE 66.A O no hydrogen 3.217 N/A ARG 71.A N THR 68.A O no hydrogen 3.253 N/A TYR 75.A N PRO 72.A O no hydrogen 3.139 N/A PHE 76.A N ASN 73.A O no hydrogen 3.395 N/A ALA 78.A N GLU 82.A OE2 no hydrogen 3.189 N/A GLN 81.A N GLN 81.A OE1 no hydrogen 2.540 N/A GLU 82.A N ALA 78.A O no hydrogen 2.775 N/A LYS 83.A N PRO 79.A O no hydrogen 3.123 N/A LYS 83.A NZ MET 69.A O no hydrogen 3.044 N/A LYS 83.A NZ ARG 71.A O no hydrogen 2.935 N/A LYS 83.A NZ ASN 73.A OD1 no hydrogen 3.044 N/A VAL 84.A N LEU 80.A O no hydrogen 3.169 N/A VAL 85.A N GLN 81.A O no hydrogen 2.928 N/A PHE 86.A N GLU 82.A O no hydrogen 2.977 N/A GLY 87.A N LYS 83.A O no hydrogen 2.583 N/A MET 88.A N VAL 84.A O no hydrogen 3.195 N/A PHE 89.A N PHE 86.A O no hydrogen 3.035 N/A PHE 90.A N PHE 86.A O no hydrogen 3.323 N/A LEU 91.A N GLY 87.A O no hydrogen 2.766 N/A GLY 92.A N MET 88.A O no hydrogen 3.187 N/A ALA 93.A N PHE 89.A O no hydrogen 2.985 N/A VAL 94.A N PHE 90.A O no hydrogen 2.814 N/A LEU 95.A N LEU 91.A O no hydrogen 2.963 N/A CYS 96.A N GLY 92.A O no hydrogen 3.090 N/A LEU 97.A N ALA 93.A O no hydrogen 3.043 N/A SER 98.A N VAL 94.A O no hydrogen 2.958 N/A SER 98.A OG VAL 94.A O no hydrogen 2.885 N/A PHE 99.A N LEU 95.A O no hydrogen 2.897 N/A SER 100.A N LEU 97.A O no hydrogen 3.327 N/A SER 100.A OG HIS 54.A ND1 no hydrogen 2.805 N/A TRP 101.A N LEU 97.A O no hydrogen 3.138 N/A LEU 102.A N SER 98.A O no hydrogen 3.070 N/A PHE 103.A N PHE 99.A O no hydrogen 3.370 N/A HIS 104.A N SER 100.A O no hydrogen 2.937 N/A HIS 104.A ND1 GLU 47.A OE1 no hydrogen 2.953 N/A THR 105.A N LEU 102.A O no hydrogen 3.260 N/A THR 105.A OG1 TRP 101.A O no hydrogen 3.137 N/A THR 105.A OG1 LEU 102.A O no hydrogen 2.542 N/A VAL 106.A N LEU 102.A O no hydrogen 3.157 N/A HIS 109.A N VAL 106.A O no hydrogen 3.221 N/A HIS 109.A ND1 SER 110.A OG no hydrogen 3.129 N/A SER 110.A OG HIS 109.A ND1 no hydrogen 3.129 N/A VAL 113.A N SER 110.A OG no hydrogen 3.377 N/A SER 114.A N SER 110.A O no hydrogen 3.045 N/A SER 114.A OG TYR 107.A O no hydrogen 2.362 N/A SER 114.A OG SER 110.A O no hydrogen 3.031 N/A ARG 115.A N GLU 111.A O no hydrogen 2.904 N/A THR 116.A N LYS 112.A O no hydrogen 3.063 N/A THR 116.A OG1 LYS 112.A O no hydrogen 2.729 N/A PHE 117.A N VAL 113.A O no hydrogen 3.043 N/A SER 118.A N SER 114.A O no hydrogen 2.967 N/A LYS 119.A NZ ASP 169.A OD1 no hydrogen 3.250 N/A LEU 120.A N THR 116.A O no hydrogen 3.289 N/A ALA 121.A N PHE 117.A O no hydrogen 2.987 N/A TYR 122.A N SER 118.A O no hydrogen 2.972 N/A SER 123.A N LYS 119.A O no hydrogen 2.807 N/A SER 123.A OG LYS 119.A O no hydrogen 2.846 N/A GLY 124.A N LEU 120.A O no hydrogen 2.785 N/A ILE 125.A N ALA 121.A O no hydrogen 3.417 N/A ILE 125.A N TYR 122.A O no hydrogen 3.254 N/A LEU 127.A N SER 123.A O no hydrogen 2.950 N/A LEU 128.A N GLY 124.A O no hydrogen 2.954 N/A ILE 129.A N ILE 125.A O no hydrogen 3.071 N/A MET 130.A N ALA 126.A O no hydrogen 2.778 N/A GLY 131.A N LEU 127.A O no hydrogen 2.844 N/A SER 132.A N LEU 128.A O no hydrogen 2.814 N/A SER 132.A N ILE 129.A O no hydrogen 3.268 N/A SER 132.A OG LEU 128.A O no hydrogen 2.540 N/A PHE 133.A N MET 130.A O no hydrogen 3.207 N/A LEU 137.A N PHE 133.A O no hydrogen 2.666 N/A TYR 138.A N VAL 134.A O no hydrogen 3.237 N/A TYR 139.A N PRO 135.A O no hydrogen 3.369 N/A TYR 139.A OH GLU 82.A OE1 no hydrogen 2.513 N/A SER 140.A N TRP 136.A O no hydrogen 2.992 N/A SER 140.A OG TRP 136.A O no hydrogen 2.493 N/A PHE 141.A N LEU 137.A O no hydrogen 3.327 N/A SER 144.A N PHE 141.A O no hydrogen 3.367 N/A LEU 149.A N PRO 145.A O no hydrogen 3.169 N/A ILE 150.A N GLN 146.A O no hydrogen 3.113 N/A TYR 151.A N PRO 147.A O no hydrogen 2.890 N/A TYR 151.A OH HIS 197.A ND1 no hydrogen 3.109 N/A LEU 152.A N ARG 148.A O no hydrogen 3.397 N/A SER 153.A N LEU 149.A O no hydrogen 3.061 N/A SER 153.A OG LEU 149.A O no hydrogen 2.980 N/A ILE 154.A N ILE 150.A O no hydrogen 3.058 N/A VAL 155.A N TYR 151.A O no hydrogen 2.970 N/A CYS 156.A N LEU 152.A O no hydrogen 3.004 N/A CYS 156.A SG LEU 152.A O no hydrogen 3.187 N/A VAL 157.A N SER 153.A O no hydrogen 3.062 N/A LEU 158.A N ILE 154.A O no hydrogen 2.893 N/A GLY 159.A N VAL 155.A O no hydrogen 2.865 N/A ILE 160.A N CYS 156.A O no hydrogen 2.865 N/A SER 161.A N VAL 157.A O no hydrogen 3.204 N/A SER 161.A OG VAL 157.A O no hydrogen 2.491 N/A ALA 162.A N LEU 158.A O no hydrogen 3.088 N/A ILE 163.A N GLY 159.A O no hydrogen 2.907 N/A ILE 164.A N ILE 160.A O no hydrogen 2.786 N/A VAL 165.A N SER 161.A O no hydrogen 3.051 N/A ALA 166.A N ALA 162.A O no hydrogen 2.956 N/A GLN 167.A N ILE 164.A O no hydrogen 3.282 N/A GLN 167.A NE2 ILE 163.A O no hydrogen 3.364 N/A TRP 168.A N VAL 165.A O no hydrogen 3.130 N/A PHE 171.A N TRP 168.A O no hydrogen 3.107 N/A ALA 172.A N ASP 169.A O no hydrogen 3.337 N/A THR 173.A OG1 ARG 170.A O no hydrogen 2.608 N/A HIS 176.A N THR 173.A O no hydrogen 3.151 N/A HIS 176.A ND1 ARG 170.A O no hydrogen 2.923 N/A HIS 176.A ND1 THR 173.A OG1 no hydrogen 3.303 N/A ARG 177.A N PRO 174.A O no hydrogen 3.278 N/A GLN 178.A N GLN 178.A OE1 no hydrogen 2.747 N/A ARG 180.A N HIS 176.A O no hydrogen 2.977 N/A ARG 180.A NE TYR 230.A OH no hydrogen 3.059 N/A ARG 180.A NH1 PHE 171.A O no hydrogen 3.505 N/A ARG 180.A NH1 THR 173.A O no hydrogen 2.904 N/A ARG 180.A NH2 TYR 230.A OH no hydrogen 2.757 N/A ALA 181.A N ARG 177.A O no hydrogen 3.183 N/A GLY 182.A N GLN 178.A O no hydrogen 2.971 N/A VAL 183.A N THR 179.A O no hydrogen 2.988 N/A LEU 185.A N ALA 181.A O no hydrogen 2.994 N/A GLY 186.A N GLY 182.A O no hydrogen 2.788 N/A LEU 187.A N VAL 183.A O no hydrogen 2.941 N/A GLY 188.A N PHE 184.A O no hydrogen 3.455 N/A LEU 189.A N LEU 185.A O no hydrogen 2.897 N/A SER 190.A OG LEU 187.A O no hydrogen 2.568 N/A GLY 191.A N GLY 188.A O no hydrogen 3.207 N/A VAL 192.A N LEU 189.A O no hydrogen 3.288 N/A VAL 193.A N SER 190.A O no hydrogen 3.380 N/A THR 195.A N GLY 191.A O no hydrogen 3.231 N/A THR 195.A OG1 GLY 191.A O no hydrogen 2.420 N/A MET 196.A N VAL 192.A O no hydrogen 3.050 N/A HIS 197.A N VAL 193.A O no hydrogen 2.992 N/A HIS 197.A ND1 TYR 151.A OH no hydrogen 3.109 N/A PHE 198.A N PRO 194.A O no hydrogen 2.964 N/A THR 199.A N THR 195.A O no hydrogen 3.169 N/A THR 199.A OG1 THR 195.A O no hydrogen 2.766 N/A ILE 200.A N MET 196.A O no hydrogen 3.013 N/A ALA 201.A N HIS 197.A O no hydrogen 2.761 N/A GLU 202.A N PHE 198.A O no hydrogen 3.227 N/A LYS 206.A NZ GLU 279.A O no hydrogen 2.909 N/A ALA 207.A N GLY 203.A O no hydrogen 2.970 N/A THR 208.A N VAL 205.A O no hydrogen 2.950 N/A THR 208.A OG1 VAL 205.A O no hydrogen 2.474 N/A THR 209.A N VAL 205.A O no hydrogen 3.088 N/A TRP 215.A NE1 HIS 264.A ND1 no hydrogen 3.138 N/A PHE 216.A N MET 213.A O no hydrogen 3.273 N/A LEU 218.A N GLY 214.A O no hydrogen 2.735 N/A MET 219.A N TRP 215.A O no hydrogen 2.872 N/A ALA 220.A N PHE 216.A O no hydrogen 2.783 N/A VAL 221.A N PHE 217.A O no hydrogen 2.859 N/A MET 222.A N LEU 218.A O no hydrogen 3.117 N/A TYR 223.A N MET 219.A O no hydrogen 2.819 N/A ILE 224.A N ALA 220.A O no hydrogen 2.885 N/A THR 225.A N VAL 221.A O no hydrogen 2.699 N/A THR 225.A OG1 VAL 221.A O no hydrogen 2.713 N/A GLY 226.A N MET 222.A O no hydrogen 2.991 N/A ALA 227.A N TYR 223.A O no hydrogen 3.041 N/A GLY 228.A N ILE 224.A O no hydrogen 2.820 N/A LEU 229.A N THR 225.A O no hydrogen 3.030 N/A TYR 230.A N GLY 226.A O no hydrogen 3.108 N/A ALA 231.A N ALA 227.A O no hydrogen 2.875 N/A ALA 232.A N GLY 228.A O no hydrogen 3.065 N/A ARG 233.A N LEU 229.A O no hydrogen 2.902 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.767 N/A ARG 237.A N ARG 233.A O no hydrogen 2.858 N/A ARG 237.A NE ALA 232.A O no hydrogen 3.003 N/A GLY 241.A N TYR 22.A O no hydrogen 3.386 N/A LYS 242.A N PHE 239.A O no hydrogen 3.189 N/A PHE 247.A N GLN 251.A OE1 no hydrogen 2.695 N/A SER 249.A N GLU 236.A OE2 no hydrogen 2.766 N/A SER 249.A OG GLU 236.A OE2 no hydrogen 3.080 N/A GLN 251.A N GLN 248.A O no hydrogen 3.160 N/A GLN 251.A NE2 ILE 245.A O no hydrogen 2.645 N/A ILE 252.A N GLN 248.A O no hydrogen 3.322 N/A PHE 253.A N SER 249.A O no hydrogen 3.119 N/A HIS 254.A N HIS 250.A O no hydrogen 2.941 N/A HIS 254.A ND1 THR 53.A OG1 no hydrogen 2.952 N/A VAL 255.A N GLN 251.A O no hydrogen 3.063 N/A LEU 256.A N ILE 252.A O no hydrogen 2.981 N/A VAL 257.A N PHE 253.A O no hydrogen 3.134 N/A VAL 258.A N HIS 254.A O no hydrogen 3.383 N/A ALA 259.A N VAL 255.A O no hydrogen 2.821 N/A ALA 260.A N LEU 256.A O no hydrogen 2.791 N/A ALA 261.A N VAL 257.A O no hydrogen 2.968 N/A PHE 262.A N VAL 258.A O no hydrogen 2.950 N/A VAL 263.A N ALA 259.A O no hydrogen 2.882 N/A HIS 264.A N ALA 260.A O no hydrogen 2.848 N/A HIS 264.A NE2 SER 132.A O no hydrogen 2.658 N/A PHE 265.A N ALA 261.A O no hydrogen 3.056 N/A TYR 266.A N PHE 262.A O no hydrogen 3.102 N/A GLY 267.A N VAL 263.A O no hydrogen 2.717 N/A VAL 268.A N HIS 264.A O no hydrogen 2.812 N/A SER 269.A N PHE 265.A O no hydrogen 2.923 N/A SER 269.A OG TYR 266.A O no hydrogen 2.796 N/A ASN 270.A N TYR 266.A O no hydrogen 3.514 N/A LEU 271.A N GLY 267.A O no hydrogen 2.877 N/A GLN 272.A N SER 269.A O no hydrogen 3.044 N/A GLN 272.A NE2 GLU 82.A OE1 no hydrogen 2.728 N/A GLU 273.A N SER 269.A O no hydrogen 3.193 N/A ARG 275.A N GLN 272.A O no hydrogen 3.070 N/A ARG 275.A NE TYR 139.A O no hydrogen 2.618 N/A ARG 275.A NH1 GLU 202.A OE2 no hydrogen 3.532 N/A ARG 275.A NH1 GLY 280.A O no hydrogen 3.290 N/A ARG 275.A NH2 TYR 139.A O no hydrogen 3.428 N/A ARG 275.A NH2 SER 140.A O no hydrogen 2.800 N/A ARG 275.A NH2 GLU 202.A OE2 no hydrogen 3.208 N/A GLY 277.A N PHE 274.A O no hydrogen 3.433 N/A GLY 280.A N GLY 277.A O no hydrogen 3.060 N/A