Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3b59_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NH1 VAL 4.A O no hydrogen 3.450 N/A VAL 4.A N LEU 160.A O no hydrogen 3.070 N/A THR 5.A N ALA 69.A O no hydrogen 2.786 N/A THR 5.A OG1 ASP 71.A OD1 no hydrogen 3.410 N/A ILE 7.A N GLU 6.A OE1 no hydrogen 2.952 N/A ARG 8.A N ALA 67.A O no hydrogen 2.714 N/A ARG 8.A NE SER 119.A O no hydrogen 3.513 N/A ARG 8.A NE SER 119.A OG no hydrogen 2.781 N/A ARG 8.A NH1 GLU 49.A OE2 no hydrogen 2.952 N/A ARG 8.A NH2 SER 119.A O no hydrogen 3.454 N/A TYR 9.A N ALA 67.A O no hydrogen 3.296 N/A VAL 10.A N VAL 52.A O no hydrogen 3.201 N/A GLY 11.A N VAL 65.A O no hydrogen 2.626 N/A TYR 12.A N GLN 54.A O no hydrogen 2.655 N/A GLY 13.A N ARG 62.A O no hydrogen 2.988 N/A VAL 14.A N ARG 56.A O no hydrogen 2.869 N/A LYS 15.A N ASN 61.A OD1 no hydrogen 2.920 N/A ALA 19.A N ASP 16.A OD1 no hydrogen 2.757 N/A GLU 20.A N ASP 16.A O no hydrogen 3.035 N/A LYS 21.A N PHE 17.A O no hydrogen 2.877 N/A LYS 21.A NZ GLU 35.A OE1 no hydrogen 2.539 N/A ALA 22.A N ASP 18.A O no hydrogen 3.265 N/A PHE 23.A N ALA 19.A O no hydrogen 3.144 N/A PHE 23.A N GLU 20.A O no hydrogen 3.110 N/A TYR 24.A N GLU 20.A O no hydrogen 3.339 N/A ALA 25.A N LYS 21.A O no hydrogen 3.496 N/A ASP 26.A N ALA 22.A O no hydrogen 3.023 N/A VAL 27.A N PHE 23.A O no hydrogen 2.900 N/A TRP 28.A N PHE 23.A O no hydrogen 2.880 N/A LEU 30.A N TYR 24.A O no hydrogen 2.879 N/A GLU 31.A N LYS 43.A O no hydrogen 2.742 N/A VAL 33.A N TRP 41.A O no hydrogen 2.879 N/A ASP 36.A N ASN 39.A O no hydrogen 2.947 N/A ASN 39.A N ASP 36.A OD2 no hydrogen 2.578 N/A ASN 39.A ND2 ASP 36.A OD1 no hydrogen 3.500 N/A ALA 40.A N LEU 55.A O no hydrogen 3.115 N/A TRP 41.A N GLY 34.A O no hydrogen 2.736 N/A TRP 41.A NE1 GLN 54.A OE1 no hydrogen 2.785 N/A PHE 42.A N VAL 53.A O no hydrogen 2.934 N/A LYS 43.A N GLU 31.A O no hydrogen 2.861 N/A LYS 43.A NZ ALA 44.A O no hydrogen 3.186 N/A LYS 43.A NZ ALA 47.A O no hydrogen 2.896 N/A LYS 43.A NZ ALA 126.A O no hydrogen 2.564 N/A GLN 45.A NE2 GLY 29.A O no hydrogen 2.917 N/A ALA 47.A N ALA 44.A O no hydrogen 3.516 N/A HIS 50.A ND1 HIS 51.A ND1 no hydrogen 2.886 N/A HIS 51.A ND1 HIS 50.A ND1 no hydrogen 2.886 N/A VAL 52.A N PHE 42.A O no hydrogen 2.804 N/A VAL 53.A N PHE 42.A O no hydrogen 3.200 N/A GLN 54.A N VAL 10.A O no hydrogen 3.231 N/A LEU 55.A N ALA 40.A O no hydrogen 2.962 N/A ARG 56.A N TYR 12.A O no hydrogen 2.740 N/A ARG 56.A NE ASP 64.A OD2 no hydrogen 2.950 N/A ARG 56.A NH2 ASP 64.A OD1 no hydrogen 2.792 N/A ARG 56.A NH2 ASP 64.A OD2 no hydrogen 3.294 N/A ARG 57.A N ASN 38.A O no hydrogen 2.992 N/A ARG 57.A NH1 ALA 37.A O no hydrogen 2.749 N/A ARG 57.A NH2 ALA 37.A O no hydrogen 2.895 N/A ALA 58.A N VAL 14.A O no hydrogen 2.756 N/A ASP 59.A N GLU 294.A OE1 no hydrogen 3.143 N/A ARG 62.A N GLY 13.A O no hydrogen 3.050 N/A ARG 62.A NE PRO 285.A O no hydrogen 2.693 N/A ARG 62.A NH1 ASP 64.A OD1 no hydrogen 2.673 N/A ARG 62.A NH2 PRO 285.A O no hydrogen 2.770 N/A ARG 62.A NH2 GLN 289.A O no hydrogen 3.471 N/A ASP 64.A N GLY 11.A O no hydrogen 2.808 N/A VAL 65.A N GLY 11.A O no hydrogen 3.376 N/A ILE 66.A N LEU 115.A O no hydrogen 2.797 N/A ALA 67.A N TYR 9.A O no hydrogen 2.640 N/A LEU 68.A N GLU 117.A O no hydrogen 2.502 N/A ALA 69.A N GLU 6.A O no hydrogen 2.667 N/A ALA 70.A N SER 119.A O no hydrogen 3.008 N/A SER 74.A N SER 72.A OG no hydrogen 3.370 N/A ASP 75.A N SER 72.A O no hydrogen 2.903 N/A VAL 76.A N SER 72.A O no hydrogen 3.064 N/A ALA 78.A N SER 74.A O no hydrogen 3.135 N/A LEU 79.A N ASP 75.A O no hydrogen 3.042 N/A ARG 80.A N VAL 76.A O no hydrogen 3.017 N/A ARG 80.A NE GLU 93.A OE1 no hydrogen 2.805 N/A ARG 80.A NH1 ARG 80.A O no hydrogen 2.833 N/A ARG 80.A NH1 GLU 84.A OE1 no hydrogen 3.250 N/A ARG 80.A NH2 GLU 84.A OE1 no hydrogen 3.076 N/A ALA 81.A N ASP 77.A O no hydrogen 2.988 N/A SER 82.A N ALA 78.A O no hydrogen 2.960 N/A SER 82.A OG ALA 78.A O no hydrogen 3.540 N/A VAL 83.A N LEU 79.A O no hydrogen 3.059 N/A GLU 84.A N ARG 80.A O no hydrogen 3.161 N/A ALA 85.A N ALA 81.A O no hydrogen 3.112 N/A ALA 86.A N SER 82.A O no hydrogen 2.910 N/A GLY 87.A N VAL 83.A O no hydrogen 3.030 N/A GLY 87.A N GLU 84.A O no hydrogen 3.019 N/A CYS 88.A N VAL 83.A O no hydrogen 3.233 N/A CYS 88.A SG VAL 83.A O no hydrogen 4.028 N/A ALA 91.A N ARG 107.A O no hydrogen 2.667 N/A SER 92.A N ARG 107.A O no hydrogen 3.047 N/A ALA 95.A N GLY 105.A O no hydrogen 3.134 N/A LEU 97.A N GLY 103.A O no hydrogen 2.533 N/A GLY 102.A N THR 99.A O no hydrogen 2.848 N/A TYR 104.A N SER 120.A O no hydrogen 3.082 N/A TYR 104.A OH ASP 77.A OD1 no hydrogen 3.371 N/A GLY 105.A N ALA 95.A O no hydrogen 2.997 N/A PHE 106.A N VAL 118.A O no hydrogen 3.071 N/A ARG 107.A NE GLU 117.A OE1 no hydrogen 2.588 N/A ARG 107.A NH2 GLU 117.A OE1 no hydrogen 2.852 N/A PHE 108.A N PHE 116.A O no hydrogen 3.150 N/A PHE 109.A N LYS 89.A O no hydrogen 2.851 N/A SER 110.A N LEU 114.A O no hydrogen 3.009 N/A GLY 113.A N SER 110.A O no hydrogen 2.887 N/A PHE 116.A N PHE 108.A O no hydrogen 2.962 N/A GLU 117.A N ILE 66.A O no hydrogen 2.880 N/A VAL 118.A N PHE 106.A O no hydrogen 3.114 N/A SER 119.A N LEU 68.A O no hydrogen 3.036 N/A SER 120.A N TYR 104.A O no hydrogen 2.857 N/A SER 120.A OG ASP 121.A OD2 no hydrogen 3.003 N/A ALA 123.A N GLY 101.A O no hydrogen 2.688 N/A GLY 125.A N ASP 48.A O no hydrogen 2.674 N/A ARG 128.A N GLN 45.A O no hydrogen 3.352 N/A ARG 128.A NH1 GLU 134.A OE1 no hydrogen 3.467 N/A ARG 128.A NH1 GLU 134.A OE2 no hydrogen 3.112 N/A ARG 128.A NH2 GLN 45.A OE1 no hydrogen 2.745 N/A ARG 128.A NH2 GLU 134.A OE1 no hydrogen 2.947 N/A ALA 131.A N GLU 134.A OE2 no hydrogen 2.799 N/A ARG 132.A NH1 ASP 202.A OD2 no hydrogen 2.662 N/A TRP 133.A N ASP 203.A OD1 no hydrogen 2.609 N/A GLU 134.A N ALA 131.A O no hydrogen 3.216 N/A GLY 135.A N ASP 203.A OD1 no hydrogen 3.290 N/A VAL 138.A N ASP 198.A O no hydrogen 2.771 N/A SER 141.A N ALA 196.A O no hydrogen 2.629 N/A SER 141.A OG HIS 142.A ND1 no hydrogen 3.073 N/A HIS 142.A N ALA 196.A O no hydrogen 3.424 N/A HIS 142.A ND1 SER 141.A OG no hydrogen 3.073 N/A ILE 143.A N ARG 182.A O no hydrogen 2.870 N/A VAL 144.A N HIS 194.A O no hydrogen 3.161 N/A LEU 145.A N ALA 184.A O no hydrogen 3.001 N/A HIS 146.A N CYS 191.A O no hydrogen 2.897 N/A HIS 146.A ND1 PRO 187.A O no hydrogen 2.590 N/A SER 147.A N LEU 186.A O no hydrogen 2.790 N/A SER 147.A OG ASP 112.A OD2 no hydrogen 2.333 N/A ASN 149.A N SER 147.A OG no hydrogen 3.348 N/A HIS 150.A NE2 ASP 170.A O no hydrogen 2.703 N/A LYS 154.A N GLN 151.A O no hydrogen 3.202 N/A PHE 155.A N ASP 152.A O no hydrogen 2.924 N/A THR 157.A N VAL 153.A O no hydrogen 2.964 N/A THR 157.A OG1 VAL 153.A O no hydrogen 3.303 N/A THR 157.A OG1 LYS 154.A O no hydrogen 3.143 N/A THR 157.A OG1 ASP 158.A OD1 no hydrogen 3.282 N/A ASP 158.A N LYS 154.A O no hydrogen 2.790 N/A VAL 159.A N PHE 155.A O no hydrogen 2.846 N/A LEU 160.A N PHE 155.A O no hydrogen 3.339 N/A PHE 162.A N PHE 156.A O no hydrogen 2.803 N/A LYS 163.A N ARG 175.A O no hydrogen 2.870 N/A LYS 163.A NZ ASP 253.A OD1 no hydrogen 3.348 N/A SER 165.A N PHE 173.A O no hydrogen 2.842 N/A SER 165.A OG HIS 180.A O no hydrogen 2.549 N/A TRP 167.A N LYS 258.A O no hydrogen 2.917 N/A GLY 169.A N HIS 260.A O no hydrogen 2.899 N/A PHE 171.A N LEU 168.A O no hydrogen 3.339 N/A CYS 172.A SG ASP 166.A O no hydrogen 3.967 N/A PHE 173.A N ASP 166.A O no hydrogen 2.989 N/A LEU 174.A N ILE 183.A O no hydrogen 2.682 N/A ARG 175.A N LYS 163.A O no hydrogen 2.897 N/A ARG 175.A NE PHE 252.A O no hydrogen 2.978 N/A ARG 175.A NH1 VAL 164.A O no hydrogen 3.204 N/A ARG 175.A NH1 SER 165.A OG no hydrogen 2.886 N/A ARG 175.A NH2 PHE 252.A O no hydrogen 2.852 N/A ARG 175.A NH2 HIS 255.A O no hydrogen 3.273 N/A ASN 177.A ND2 THR 5.A O no hydrogen 3.357 N/A SER 178.A OG GLU 249.A OE1 no hydrogen 2.689 N/A ALA 179.A N ASN 177.A OD1 no hydrogen 2.810 N/A HIS 180.A N GLU 248.A O no hydrogen 3.117 N/A HIS 180.A ND1 HIS 181.A ND1 no hydrogen 2.898 N/A HIS 180.A NE2 ASP 166.A OD2 no hydrogen 2.425 N/A HIS 181.A ND1 HIS 180.A ND1 no hydrogen 2.898 N/A ARG 182.A N LEU 174.A O no hydrogen 2.732 N/A ARG 182.A NE GLU 6.A OE1 no hydrogen 2.889 N/A ARG 182.A NE GLU 6.A OE2 no hydrogen 3.262 N/A ARG 182.A NH1 SER 141.A O no hydrogen 2.664 N/A ARG 182.A NH2 GLU 6.A OE2 no hydrogen 3.137 N/A ILE 183.A N LEU 174.A O no hydrogen 3.305 N/A ALA 184.A N ILE 143.A O no hydrogen 3.136 N/A ILE 185.A N CYS 172.A O no hydrogen 2.741 N/A LEU 186.A N LEU 145.A O no hydrogen 2.830 N/A CYS 191.A SG PRO 189.A O no hydrogen 3.347 N/A ASN 193.A N VAL 144.A O no hydrogen 2.811 N/A ASN 193.A ND2 HIS 146.A NE2 no hydrogen 2.829 N/A HIS 194.A ND1 ASN 193.A OD1 no hydrogen 2.501 N/A VAL 195.A N VAL 240.A O no hydrogen 3.475 N/A ALA 196.A N HIS 142.A O no hydrogen 2.849 N/A TYR 197.A N GLU 242.A O no hydrogen 2.800 N/A ASP 198.A N LYS 139.A O no hydrogen 2.771 N/A SER 200.A OG ASP 203.A OD2 no hydrogen 2.687 N/A ASP 203.A N SER 200.A O no hydrogen 2.806 N/A ASP 203.A N SER 200.A OG no hydrogen 3.180 N/A ARG 204.A NH1 TRP 133.A O no hydrogen 3.241 N/A GLY 205.A N ASP 203.A O no hydrogen 2.908 N/A ARG 208.A N ARG 204.A O no hydrogen 2.974 N/A ARG 208.A NE VAL 27.A O no hydrogen 2.792 N/A ARG 208.A NH1 GLY 135.A O no hydrogen 2.792 N/A ARG 208.A NH2 VAL 27.A O no hydrogen 2.987 N/A ARG 208.A NH2 GLY 135.A O no hydrogen 2.898 N/A LEU 209.A N GLY 205.A O no hydrogen 3.035 N/A LYS 210.A N ALA 206.A O no hydrogen 2.982 N/A VAL 211.A N HIS 207.A O no hydrogen 3.070 N/A LYS 212.A N ARG 208.A O no hydrogen 2.996 N/A LYS 212.A N LEU 209.A O no hydrogen 2.776 N/A LYS 212.A NZ ASP 26.A O no hydrogen 3.480 N/A GLY 213.A N LYS 210.A O no hydrogen 2.907 N/A ILE 214.A N LEU 209.A O no hydrogen 2.966 N/A GLY 217.A N TYR 232.A O no hydrogen 2.595 N/A TRP 218.A N TYR 232.A O no hydrogen 3.361 N/A GLY 219.A N THR 272.A O no hydrogen 2.245 N/A GLY 221.A N PHE 230.A O no hydrogen 2.907 N/A ARG 222.A N ASP 266.A OD1 no hydrogen 3.229 N/A ARG 222.A NH1 ASN 227.A O no hydrogen 2.776 N/A ARG 222.A NH1 GLU 246.A OE1 no hydrogen 2.412 N/A ARG 222.A NH2 GLU 246.A OE1 no hydrogen 2.719 N/A HIS 223.A N ASN 228.A O no hydrogen 2.828 N/A HIS 223.A NE2 TYR 232.A OH no hydrogen 2.851 N/A THR 224.A OG1 VAL 265.A O no hydrogen 2.690 N/A ASN 227.A N THR 224.A O no hydrogen 2.911 N/A ASN 228.A ND2 THR 244.A OG1 no hydrogen 2.781 N/A THR 229.A N SER 245.A O no hydrogen 2.828 N/A THR 229.A OG1 SER 245.A O no hydrogen 3.274 N/A PHE 230.A N GLY 221.A O no hydrogen 2.683 N/A SER 231.A OG PHE 230.A O no hydrogen 2.935 N/A TYR 232.A OH HIS 223.A NE2 no hydrogen 2.851 N/A PHE 233.A N THR 241.A O no hydrogen 2.810 N/A THR 235.A N PHE 239.A O no hydrogen 2.558 N/A THR 235.A OG1 GLU 20.A OE1 no hydrogen 3.371 N/A THR 235.A OG1 GLU 20.A OE2 no hydrogen 2.900 N/A THR 235.A OG1 PHE 239.A O no hydrogen 3.278 N/A GLY 237.A N GLU 20.A OE1 no hydrogen 3.195 N/A GLY 238.A N THR 235.A O no hydrogen 2.967 N/A PHE 239.A N THR 235.A OG1 no hydrogen 3.005 N/A THR 241.A N PHE 233.A O no hydrogen 2.916 N/A GLU 242.A N VAL 195.A O no hydrogen 3.132 N/A TYR 243.A N SER 231.A O no hydrogen 2.915 N/A TYR 243.A OH TRP 28.A O no hydrogen 2.610 N/A THR 244.A N TYR 197.A O no hydrogen 2.984 N/A THR 244.A OG1 THR 229.A O no hydrogen 2.704 N/A SER 245.A N THR 229.A O no hydrogen 3.213 N/A GLU 248.A N GLY 226.A O no hydrogen 2.978 N/A VAL 250.A N SER 178.A O no hydrogen 2.746 N/A THR 254.A N ASP 251.A OD2 no hydrogen 3.040 N/A THR 254.A OG1 ASP 251.A OD2 no hydrogen 2.784 N/A HIS 255.A N ASP 251.A O no hydrogen 3.257 N/A GLN 256.A NE2 TYR 257.A O no hydrogen 3.282 N/A LYS 258.A N ASP 166.A OD1 no hydrogen 2.945 N/A HIS 260.A N TRP 167.A O no hydrogen 2.751 N/A GLN 267.A N ARG 222.A O no hydrogen 2.699 N/A TRP 268.A N ASP 266.A OD1 no hydrogen 2.796 N/A GLY 269.A N ASP 266.A OD1 no hydrogen 3.130 N/A GLY 274.A N THR 277.A OG1 no hydrogen 3.215 N/A THR 277.A N GLY 274.A O no hydrogen 3.042 N/A THR 277.A OG1 GLY 217.A O no hydrogen 2.548 N/A THR 277.A OG1 GLY 274.A O no hydrogen 2.825 N/A LEU 278.A N PRO 275.A O no hydrogen 3.037 N/A ASN 284.A N PRO 190.A O no hydrogen 2.912 N/A PHE 288.A N GLY 113.A O no hydrogen 2.992 N/A GLN 289.A N GLY 286.A O no hydrogen 3.236 N/A ALA 293.A N THR 290.A O no hydrogen 2.971 N/A