Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dtw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH GLU 11.A OE1 no hydrogen 2.557 N/A LYS 9.A N ASP 6.A O no hydrogen 3.050 N/A TRP 10.A N ASP 6.A O no hydrogen 3.241 N/A GLU 11.A N ALA 7.A O no hydrogen 3.117 N/A PHE 12.A N ALA 83.A O no hydrogen 3.026 N/A ARG 14.A NE PRO 90.A O no hydrogen 3.000 N/A ARG 14.A NH1 LYS 86.A O no hydrogen 2.564 N/A ARG 14.A NH1 PRO 90.A O no hydrogen 3.241 N/A ARG 14.A NH2 LYS 86.A O no hydrogen 2.882 N/A ARG 16.A N PRO 13.A O no hydrogen 3.024 N/A ARG 16.A NH2 PHE 35.A O no hydrogen 3.059 N/A LEU 17.A N ARG 14.A O no hydrogen 3.109 N/A LYS 18.A N ASP 33.A O no hydrogen 2.881 N/A GLY 20.A N GLU 31.A O no hydrogen 2.725 N/A LEU 23.A N VAL 29.A O no hydrogen 2.814 N/A GLY 26.A N GLY 27.A O no hydrogen 2.930 N/A GLN 28.A N MET 48.A O no hydrogen 3.179 N/A VAL 29.A N GLY 24.A O no hydrogen 2.929 N/A ILE 30.A N VAL 46.A O no hydrogen 2.763 N/A GLU 31.A N LYS 21.A O no hydrogen 3.043 N/A ALA 32.A N VAL 44.A O no hydrogen 2.785 N/A ASP 33.A N LYS 18.A O no hydrogen 2.951 N/A ALA 34.A N ARG 42.A O no hydrogen 2.800 N/A PHE 35.A N ARG 16.A O no hydrogen 2.910 N/A GLY 36.A N THR 40.A O no hydrogen 2.841 N/A ARG 42.A N ALA 34.A O no hydrogen 2.911 N/A ARG 42.A NH1 ASP 38.A OD2 no hydrogen 3.375 N/A VAL 44.A N ALA 32.A O no hydrogen 2.741 N/A ALA 45.A N THR 95.A O no hydrogen 3.015 N/A VAL 46.A N ILE 30.A O no hydrogen 2.664 N/A LYS 47.A N VAL 93.A O no hydrogen 2.980 N/A LYS 47.A NZ GLU 64.A OE1 no hydrogen 2.926 N/A LYS 47.A NZ GLU 64.A OE2 no hydrogen 2.640 N/A MET 48.A N GLN 28.A O no hydrogen 3.181 N/A THR 54.A N GLU 57.A OE2 no hydrogen 3.113 N/A THR 54.A OG1 GLU 57.A OE2 no hydrogen 3.350 N/A HIS 58.A N THR 54.A O no hydrogen 3.390 N/A ARG 59.A N HIS 55.A O no hydrogen 2.971 N/A ARG 59.A NE HIS 55.A NE2 no hydrogen 3.304 N/A ALA 60.A N SER 56.A O no hydrogen 2.684 N/A LEU 61.A N GLU 57.A O no hydrogen 2.851 N/A MET 62.A N HIS 58.A O no hydrogen 2.886 N/A SER 63.A N ARG 59.A O no hydrogen 3.077 N/A SER 63.A OG ARG 59.A O no hydrogen 3.145 N/A SER 63.A OG ALA 60.A O no hydrogen 2.693 N/A GLU 64.A N ALA 60.A O no hydrogen 2.915 N/A LEU 65.A N LEU 61.A O no hydrogen 3.086 N/A LYS 66.A N MET 62.A O no hydrogen 2.892 N/A LYS 66.A NZ GLU 1.A O no hydrogen 2.988 N/A LYS 66.A NZ LEU 3.A O no hydrogen 3.232 N/A ILE 67.A N SER 63.A O no hydrogen 3.004 N/A LEU 68.A N GLU 64.A O no hydrogen 3.164 N/A ILE 69.A N LEU 65.A O no hydrogen 3.024 N/A HIS 70.A N LYS 66.A O no hydrogen 2.824 N/A ILE 71.A N ILE 67.A O no hydrogen 2.784 N/A GLY 72.A N LEU 68.A O no hydrogen 3.351 N/A ASN 76.A N HIS 74.A ND1 no hydrogen 2.799 N/A ASN 76.A ND2 GLN 140.A OE1 no hydrogen 3.110 N/A ASN 76.A ND2 VAL 171.A O no hydrogen 3.100 N/A VAL 77.A N HIS 74.A O no hydrogen 3.199 N/A VAL 78.A N ILE 173.A O no hydrogen 2.945 N/A ASN 79.A N GLU 96.A OE2 no hydrogen 2.778 N/A ASN 79.A ND2 HIS 74.A O no hydrogen 3.355 N/A LEU 81.A N ILE 94.A O no hydrogen 2.691 N/A GLY 82.A N ILE 94.A O no hydrogen 3.070 N/A ALA 83.A N TRP 10.A O no hydrogen 2.955 N/A CYS 84.A N MET 92.A O no hydrogen 2.920 N/A CYS 84.A SG PHE 12.A O no hydrogen 3.287 N/A THR 85.A N GLU 11.A OE1 no hydrogen 3.394 N/A THR 85.A N GLU 11.A OE2 no hydrogen 2.723 N/A THR 85.A OG1 GLU 11.A OE1 no hydrogen 2.733 N/A THR 85.A OG1 GLU 11.A OE2 no hydrogen 3.435 N/A LYS 86.A N GLU 11.A OE2 no hydrogen 2.981 N/A MET 92.A N CYS 84.A O no hydrogen 3.107 N/A VAL 93.A N LYS 47.A O no hydrogen 2.996 N/A ILE 94.A N GLY 82.A O no hydrogen 2.984 N/A THR 95.A N ALA 45.A O no hydrogen 3.033 N/A THR 95.A OG1 GLU 96.A O no hydrogen 2.974 N/A GLU 96.A N ASN 79.A O no hydrogen 2.711 N/A CYS 98.A SG SER 166.A OG no hydrogen 3.376 N/A LYS 99.A NZ GLU 167.A OE2 no hydrogen 3.352 N/A PHE 100.A N LEU 165.A O no hydrogen 3.272 N/A ASN 102.A ND2 THR 105.A OG1 no hydrogen 2.879 N/A LEU 103.A N ILE 163.A O no hydrogen 2.675 N/A SER 104.A OG GLY 212.A O no hydrogen 3.509 N/A THR 105.A N ASN 102.A OD1 no hydrogen 3.122 N/A TYR 106.A N ASN 102.A O no hydrogen 3.346 N/A LEU 107.A N LEU 103.A O no hydrogen 2.986 N/A ARG 108.A N SER 104.A O no hydrogen 2.830 N/A ARG 108.A NE GLY 212.A O no hydrogen 3.105 N/A ARG 108.A NH2 SER 104.A OG no hydrogen 3.413 N/A SER 109.A N THR 105.A O no hydrogen 2.933 N/A SER 109.A OG TYR 106.A O no hydrogen 2.857 N/A LYS 110.A N LEU 107.A O no hydrogen 2.845 N/A LYS 110.A NZ TYR 106.A OH no hydrogen 3.291 N/A LYS 110.A NZ GLU 113.A OE2 no hydrogen 3.025 N/A LYS 110.A NZ ASP 127.A O no hydrogen 3.047 N/A ARG 111.A NE LEU 211.A O no hydrogen 2.762 N/A ARG 111.A NH1 LEU 211.A O no hydrogen 2.925 N/A GLU 113.A N LYS 110.A O no hydrogen 2.743 N/A VAL 115.A N LEU 129.A O no hydrogen 3.075 N/A LEU 124.A N PRO 121.A O no hydrogen 3.197 N/A TYR 125.A N GLU 122.A O no hydrogen 3.315 N/A LEU 129.A N GLU 113.A O no hydrogen 2.769 N/A THR 130.A N HIS 133.A ND1 no hydrogen 3.328 N/A THR 130.A OG1 HIS 133.A ND1 no hydrogen 2.777 N/A LEU 131.A N PRO 116.A O no hydrogen 3.371 N/A HIS 133.A ND1 THR 130.A OG1 no hydrogen 2.777 N/A LEU 134.A N THR 130.A O no hydrogen 3.164 N/A ILE 135.A N LEU 131.A O no hydrogen 2.816 N/A CYS 136.A N GLU 132.A O no hydrogen 2.792 N/A TYR 137.A N HIS 133.A O no hydrogen 2.883 N/A SER 138.A N LEU 134.A O no hydrogen 3.196 N/A SER 138.A OG LEU 134.A O no hydrogen 3.356 N/A PHE 139.A N ILE 135.A O no hydrogen 2.839 N/A GLN 140.A N CYS 136.A O no hydrogen 2.968 N/A GLN 140.A NE2 CYS 136.A O no hydrogen 3.458 N/A GLN 140.A NE2 ASN 169.A O no hydrogen 2.958 N/A VAL 141.A N TYR 137.A O no hydrogen 3.101 N/A ALA 142.A N SER 138.A O no hydrogen 3.251 N/A LYS 143.A N PHE 139.A O no hydrogen 2.940 N/A GLY 144.A N GLN 140.A O no hydrogen 2.918 N/A MET 145.A N VAL 141.A O no hydrogen 3.046 N/A MET 145.A N ALA 142.A O no hydrogen 3.079 N/A GLU 146.A N ALA 142.A O no hydrogen 2.831 N/A PHE 147.A N LYS 143.A O no hydrogen 2.979 N/A LEU 148.A N GLY 144.A O no hydrogen 3.065 N/A ALA 149.A N MET 145.A O no hydrogen 2.738 N/A SER 150.A N GLU 146.A O no hydrogen 2.917 N/A SER 150.A OG PHE 147.A O no hydrogen 2.196 N/A ARG 151.A N LEU 148.A O no hydrogen 3.117 N/A ARG 151.A NH2 PHE 147.A O no hydrogen 3.538 N/A LYS 152.A N ALA 149.A O no hydrogen 3.097 N/A CYS 153.A N LEU 148.A O no hydrogen 3.004 N/A CYS 153.A SG ARG 151.A O no hydrogen 4.026 N/A HIS 155.A NE2 CYS 174.A O no hydrogen 3.093 N/A ARG 156.A N ASP 197.A OD1 no hydrogen 3.105 N/A ASP 157.A N HIS 155.A ND1 no hydrogen 3.117 N/A ALA 160.A N GLU 207.A OE1 no hydrogen 2.780 N/A ARG 161.A NH2 ASP 157.A OD1 no hydrogen 3.061 N/A ASN 162.A N ALA 159.A O no hydrogen 3.055 N/A ASN 162.A ND2 ASP 157.A O no hydrogen 2.978 N/A ASN 162.A ND2 ASP 157.A OD2 no hydrogen 3.144 N/A ILE 163.A N ALA 160.A O no hydrogen 3.246 N/A LEU 164.A N LYS 172.A O no hydrogen 2.710 N/A LEU 165.A N GLY 101.A O no hydrogen 3.073 N/A SER 166.A N VAL 170.A O no hydrogen 2.932 N/A VAL 171.A N GLN 140.A OE1 no hydrogen 3.101 N/A LYS 172.A N LEU 164.A O no hydrogen 2.794 N/A LYS 172.A NZ LEU 75.A O no hydrogen 2.875 N/A LYS 172.A NZ GLU 96.A OE2 no hydrogen 3.498 N/A ILE 173.A N ASN 76.A O no hydrogen 2.844 N/A CYS 174.A N ASN 162.A O no hydrogen 2.976 N/A CYS 174.A SG ASN 162.A O no hydrogen 3.404 N/A PHE 176.A N ASN 162.A OD1 no hydrogen 3.002 N/A LYS 180.A N LEU 177.A O no hydrogen 3.073 N/A LYS 180.A NZ SER 214.A OG no hydrogen 2.761 N/A LYS 180.A NZ PRO 215.A O no hydrogen 3.330 N/A TRP 181.A N PRO 178.A O no hydrogen 3.014 N/A TRP 181.A NE1 GLU 207.A OE1 no hydrogen 3.023 N/A MET 182.A N LEU 179.A O no hydrogen 3.051 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.922 N/A THR 186.A OG1 VAL 191.A O no hydrogen 2.626 N/A ILE 187.A N ALA 183.A O no hydrogen 2.968 N/A ILE 187.A N PRO 184.A O no hydrogen 3.229 N/A PHE 188.A N PRO 184.A O no hydrogen 2.890 N/A ASP 189.A N GLU 185.A O no hydrogen 2.778 N/A VAL 191.A N GLU 185.A O no hydrogen 3.416 N/A THR 193.A N SER 196.A OG no hydrogen 2.751 N/A THR 193.A OG1 GLN 195.A OE1 no hydrogen 3.306 N/A SER 196.A OG THR 193.A O no hydrogen 2.475 N/A ASP 197.A N THR 193.A O no hydrogen 3.312 N/A ASP 197.A N ILE 194.A O no hydrogen 3.175 N/A VAL 198.A N ILE 194.A O no hydrogen 3.297 N/A VAL 198.A N GLN 195.A O no hydrogen 2.865 N/A TRP 199.A N GLN 195.A O no hydrogen 3.070 N/A SER 200.A N SER 196.A O no hydrogen 3.189 N/A SER 200.A OG TRP 181.A O no hydrogen 2.634 N/A SER 200.A OG SER 196.A O no hydrogen 3.261 N/A PHE 201.A N ASP 197.A O no hydrogen 2.758 N/A GLY 202.A N VAL 198.A O no hydrogen 2.998 N/A VAL 203.A N TRP 199.A O no hydrogen 3.234 N/A LEU 204.A N SER 200.A O no hydrogen 2.731 N/A LEU 205.A N PHE 201.A O no hydrogen 2.804 N/A TRP 206.A N GLY 202.A O no hydrogen 3.159 N/A TRP 206.A NE1 ARG 236.A O no hydrogen 3.032 N/A GLU 207.A N VAL 203.A O no hydrogen 3.074 N/A ILE 208.A N LEU 204.A O no hydrogen 3.002 N/A PHE 209.A N LEU 205.A O no hydrogen 3.037 N/A SER 210.A N GLU 207.A O no hydrogen 3.342 N/A SER 210.A OG TRP 206.A O no hydrogen 2.870 N/A SER 210.A OG GLU 207.A O no hydrogen 2.882 N/A LEU 211.A N ILE 208.A O no hydrogen 2.937 N/A GLY 212.A N GLU 207.A O no hydrogen 2.964 N/A ALA 213.A N SER 210.A O no hydrogen 3.102 N/A ALA 213.A N SER 210.A OG no hydrogen 3.235 N/A VAL 219.A N TYR 216.A O no hydrogen 3.208 N/A PHE 225.A N ASP 222.A OD2 no hydrogen 3.268 N/A CYS 226.A N ASP 222.A O no hydrogen 3.418 N/A CYS 226.A SG ASP 222.A O no hydrogen 3.830 N/A ARG 227.A N GLU 223.A O no hydrogen 3.017 N/A ARG 227.A NE GLU 231.A OE2 no hydrogen 2.869 N/A ARG 227.A NH1 GLU 231.A OE2 no hydrogen 3.411 N/A ARG 228.A N GLU 224.A O no hydrogen 2.982 N/A LEU 229.A N PHE 225.A O no hydrogen 2.981 N/A LYS 230.A N CYS 226.A O no hydrogen 3.155 N/A GLU 231.A N ARG 227.A O no hydrogen 2.856 N/A GLU 231.A N ARG 228.A O no hydrogen 3.229 N/A GLY 232.A N LEU 229.A O no hydrogen 3.458 N/A THR 233.A N ARG 228.A O no hydrogen 2.899 N/A ARG 234.A NE TRP 253.A O no hydrogen 2.878 N/A ARG 234.A NH1 TRP 253.A O no hydrogen 3.012 N/A ARG 234.A NH2 LEU 229.A O no hydrogen 3.195 N/A ARG 234.A NH2 THR 233.A O no hydrogen 2.689 N/A TYR 240.A N PHE 209.A O no hydrogen 2.918 N/A THR 241.A N PRO 238.A O no hydrogen 3.413 N/A THR 241.A OG1 THR 242.A O no hydrogen 2.741 N/A MET 245.A N THR 242.A OG1 no hydrogen 3.277 N/A TYR 246.A N THR 242.A O no hydrogen 3.073 N/A TYR 246.A OH MET 235.A O no hydrogen 2.541 N/A GLN 247.A N PRO 243.A O no hydrogen 3.135 N/A GLN 247.A NE2 ASP 251.A OD1 no hydrogen 3.540 N/A THR 248.A N GLU 244.A O no hydrogen 3.027 N/A THR 248.A OG1 GLU 244.A O no hydrogen 3.227 N/A MET 249.A N MET 245.A O no hydrogen 3.039 N/A LEU 250.A N TYR 246.A O no hydrogen 3.056 N/A ASP 251.A N GLN 247.A O no hydrogen 2.928 N/A CYS 252.A N THR 248.A O no hydrogen 3.134 N/A CYS 252.A SG THR 248.A O no hydrogen 3.126 N/A TRP 253.A N MET 249.A O no hydrogen 3.267 N/A TRP 253.A N LEU 250.A O no hydrogen 3.059 N/A HIS 254.A N ASP 251.A O no hydrogen 3.282 N/A GLU 256.A N HIS 254.A ND1 no hydrogen 2.961 N/A GLN 259.A N GLU 256.A O no hydrogen 2.724 N/A GLN 259.A NE2 SER 258.A OG no hydrogen 3.370 N/A ARG 260.A N PRO 257.A O no hydrogen 3.222 N/A ARG 260.A NE HIS 254.A O no hydrogen 2.733 N/A ARG 260.A NH1 GLU 185.A OE2 no hydrogen 3.031 N/A ARG 260.A NH1 GLN 195.A O no hydrogen 3.288 N/A ARG 260.A NH2 GLU 185.A OE1 no hydrogen 3.142 N/A ARG 260.A NH2 HIS 254.A O no hydrogen 3.149 N/A THR 262.A N GLU 265.A OE1 no hydrogen 2.662 N/A SER 264.A N THR 262.A OG1 no hydrogen 3.165 N/A SER 264.A OG GLU 146.A OE2 no hydrogen 2.822 N/A GLU 265.A N THR 262.A OG1 no hydrogen 3.065 N/A LEU 266.A N THR 262.A O no hydrogen 2.858 N/A VAL 267.A N PHE 263.A O no hydrogen 2.909 N/A GLU 268.A N SER 264.A O no hydrogen 3.016 N/A HIS 269.A N GLU 265.A O no hydrogen 2.827 N/A LEU 270.A N LEU 266.A O no hydrogen 2.851 N/A GLY 271.A N VAL 267.A O no hydrogen 2.899 N/A ASN 272.A N GLU 268.A O no hydrogen 3.458 N/A LEU 273.A N HIS 269.A O no hydrogen 3.038 N/A LEU 274.A N LEU 270.A O no hydrogen 2.743 N/A GLN 275.A N GLY 271.A O no hydrogen 2.931 N/A ALA 276.A N ASN 272.A O no hydrogen 2.922 N/A ASN 277.A N LEU 273.A O no hydrogen 3.085 N/A ALA 278.A N LEU 274.A O no hydrogen 2.960 N/A GLN 279.A N GLN 275.A O no hydrogen 3.110 N/A GLN 280.A N ALA 276.A O no hydrogen 2.881 N/A ASP 281.A N ASN 277.A O no hydrogen 2.763 N/A ARG 282.A N ALA 278.A O no hydrogen 2.846 N/A HIS 283.A N GLN 279.A O no hydrogen 2.983 N/A HIS 284.A N GLN 280.A O no hydrogen 2.720 N/A HIS 285.A N ASP 281.A O no hydrogen 2.982 N/A HIS 286.A N ARG 282.A O no hydrogen 2.908 N/A HIS 287.A N HIS 283.A O no hydrogen 3.190 N/A HIS 288.A N HIS 284.A O no hydrogen 3.485 N/A HIS 288.A ND1 HIS 284.A O no hydrogen 2.851 N/A