Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N ASP 1.A O no hydrogen 2.912 N/A SER 8.A N LEU 4.A O no hydrogen 2.999 N/A SER 8.A OG LEU 4.A O no hydrogen 2.851 N/A LEU 9.A N ALA 5.A O no hydrogen 3.050 N/A ILE 10.A N HIS 6.A O no hydrogen 3.037 N/A ARG 11.A N GLN 7.A O no hydrogen 2.901 N/A ARG 11.A NH1 GLU 15.A OE2 no hydrogen 3.059 N/A ALA 12.A N SER 8.A O no hydrogen 2.957 N/A GLY 13.A N LEU 9.A O no hydrogen 2.832 N/A LEU 14.A N ILE 10.A O no hydrogen 2.785 N/A GLU 15.A N ARG 11.A O no hydrogen 2.908 N/A HIS 16.A N ALA 12.A O no hydrogen 3.108 N/A HIS 16.A ND1 GLU 29.A OE2 no hydrogen 2.617 N/A LEU 17.A N GLY 13.A O no hydrogen 2.964 N/A THR 18.A N LEU 14.A O no hydrogen 3.125 N/A THR 18.A OG1 LEU 14.A O no hydrogen 2.719 N/A THR 18.A OG1 GLU 15.A O no hydrogen 3.156 N/A GLU 19.A N GLU 15.A O no hydrogen 3.276 N/A LYS 20.A N HIS 16.A O no hydrogen 2.824 N/A LYS 20.A NZ GLU 29.A OE1 no hydrogen 3.391 N/A LYS 20.A NZ GLU 29.A OE2 no hydrogen 3.328 N/A TYR 22.A N GLU 108.A OE1 no hydrogen 3.003 N/A SER 23.A N GLU 108.A OE2 no hydrogen 3.140 N/A SER 23.A OG GLU 108.A OE2 no hydrogen 2.858 N/A VAL 25.A N TYR 22.A O no hydrogen 3.213 N/A ILE 30.A N GLY 26.A O no hydrogen 3.309 N/A LEU 31.A N VAL 27.A O no hydrogen 2.918 N/A LYS 32.A N ASP 28.A O no hydrogen 3.014 N/A ALA 33.A N GLU 29.A O no hydrogen 3.025 N/A ALA 34.A N ILE 30.A O no hydrogen 2.830 N/A VAL 36.A N LEU 31.A O no hydrogen 3.363 N/A LYS 38.A NZ ASP 28.A OD1 no hydrogen 2.777 N/A SER 40.A N PRO 37.A O no hydrogen 2.868 N/A PHE 41.A N PRO 37.A O no hydrogen 3.381 N/A TYR 42.A N LYS 38.A O no hydrogen 3.062 N/A HIS 43.A N GLY 39.A O no hydrogen 3.136 N/A TYR 44.A N PHE 41.A O no hydrogen 3.222 N/A PHE 45.A N PHE 41.A O no hydrogen 2.904 N/A ARG 46.A N ASP 50.A OD2 no hydrogen 3.267 N/A LYS 48.A NZ TYR 22.A O no hydrogen 2.947 N/A ASP 50.A N ASN 47.A OD1 no hydrogen 2.990 N/A PHE 51.A N ASN 47.A O no hydrogen 3.045 N/A GLY 52.A N LYS 48.A O no hydrogen 2.796 N/A LEU 53.A N ALA 49.A O no hydrogen 3.126 N/A ALA 54.A N ASP 50.A O no hydrogen 3.088 N/A LEU 55.A N PHE 51.A O no hydrogen 2.897 N/A ILE 56.A N GLY 52.A O no hydrogen 3.112 N/A GLU 57.A N LEU 53.A O no hydrogen 3.065 N/A ALA 58.A N ALA 54.A O no hydrogen 2.919 N/A TYR 59.A N LEU 55.A O no hydrogen 2.937 N/A ASP 60.A N ILE 56.A O no hydrogen 2.815 N/A THR 61.A N GLU 57.A O no hydrogen 3.313 N/A THR 61.A OG1 GLU 57.A O no hydrogen 3.262 N/A TYR 62.A N ALA 58.A O no hydrogen 3.056 N/A PHE 63.A N TYR 59.A O no hydrogen 2.919 N/A ALA 64.A N ASP 60.A O no hydrogen 3.130 N/A ARG 65.A N TYR 62.A O no hydrogen 3.195 N/A LEU 66.A N PHE 63.A O no hydrogen 3.130 N/A LEU 67.A N PHE 63.A O no hydrogen 3.115 N/A ASP 68.A N ALA 64.A O no hydrogen 2.905 N/A GLN 69.A N ARG 65.A O no hydrogen 3.362 N/A ALA 70.A N LEU 66.A O no hydrogen 3.478 N/A PHE 71.A N LEU 67.A O no hydrogen 2.700 N/A LEU 72.A N ASP 68.A O no hydrogen 3.056 N/A ASP 73.A N ALA 70.A O no hydrogen 3.214 N/A SER 75.A N ASP 73.A OD1 no hydrogen 2.824 N/A SER 75.A OG ASP 73.A OD1 no hydrogen 2.946 N/A LEU 76.A N ASP 73.A O no hydrogen 3.210 N/A LEU 79.A N GLU 142.A OE1 no hydrogen 2.889 N/A ARG 81.A N ALA 77.A O no hydrogen 3.091 N/A ARG 81.A NE ASP 73.A O no hydrogen 2.990 N/A ARG 81.A NE LEU 76.A O no hydrogen 2.967 N/A ARG 81.A NH1 PHE 71.A O no hydrogen 3.545 N/A ARG 81.A NH1 GLU 136.A OE1 no hydrogen 3.076 N/A ARG 81.A NH2 LEU 76.A O no hydrogen 2.945 N/A LEU 82.A N PRO 78.A O no hydrogen 3.365 N/A ARG 83.A N LEU 79.A O no hydrogen 3.147 N/A LEU 84.A N ALA 80.A O no hydrogen 2.935 N/A PHE 85.A N ARG 81.A O no hydrogen 3.178 N/A THR 86.A N LEU 82.A O no hydrogen 3.287 N/A THR 86.A OG1 ARG 83.A O no hydrogen 3.075 N/A ARG 87.A N ARG 83.A O no hydrogen 3.074 N/A GLU 89.A N THR 86.A O no hydrogen 3.128 N/A GLU 90.A N ARG 87.A O no hydrogen 2.994 N/A ARG 93.A N GLY 91.A O no hydrogen 3.291 N/A GLY 95.A N ALA 92.A O no hydrogen 3.369 N/A ARG 97.A N HIS 94.A O no hydrogen 3.122 N/A GLY 99.A N THR 18.A O no hydrogen 2.984 N/A CYS 100.A SG TYR 59.A OH no hydrogen 3.476 N/A CYS 100.A SG GLU 161.A OE2 no hydrogen 3.119 N/A ASN 104.A N CYS 100.A O no hydrogen 2.904 N/A ASN 104.A ND2 LEU 17.A O no hydrogen 2.725 N/A ASN 104.A ND2 THR 18.A O no hydrogen 3.092 N/A LEU 105.A N LEU 101.A O no hydrogen 2.953 N/A GLY 106.A N VAL 102.A O no hydrogen 2.904 N/A GLN 107.A N GLY 103.A O no hydrogen 3.040 N/A ALA 110.A N GLU 108.A O no hydrogen 2.826 N/A PHE 115.A N PRO 112.A O no hydrogen 3.211 N/A ARG 116.A N ASP 113.A O no hydrogen 3.268 N/A ARG 116.A NE ASP 113.A OD2 no hydrogen 3.202 N/A LEU 119.A N PHE 115.A O no hydrogen 2.715 N/A ILE 120.A N ARG 116.A O no hydrogen 2.906 N/A GLY 121.A N ALA 117.A O no hydrogen 2.883 N/A VAL 122.A N ALA 118.A O no hydrogen 3.317 N/A LEU 123.A N LEU 119.A O no hydrogen 3.349 N/A GLU 124.A N ILE 120.A O no hydrogen 2.973 N/A THR 125.A N GLY 121.A O no hydrogen 3.078 N/A THR 125.A OG1 GLY 121.A O no hydrogen 3.113 N/A TRP 126.A N VAL 122.A O no hydrogen 3.059 N/A GLN 127.A N LEU 123.A O no hydrogen 2.918 N/A ARG 128.A N GLU 124.A O no hydrogen 2.911 N/A ARG 128.A NH2 THR 125.A OG1 no hydrogen 3.236 N/A ARG 129.A N THR 125.A O no hydrogen 3.068 N/A ARG 129.A NH1 ALA 64.A O no hydrogen 3.183 N/A ARG 129.A NH2 ASP 68.A OD1 no hydrogen 2.469 N/A THR 130.A N TRP 126.A O no hydrogen 3.075 N/A THR 130.A OG1 TRP 126.A O no hydrogen 2.649 N/A ALA 131.A N GLN 127.A O no hydrogen 2.920 N/A GLN 132.A N ARG 128.A O no hydrogen 3.251 N/A LEU 133.A N ARG 129.A O no hydrogen 3.093 N/A PHE 134.A N THR 130.A O no hydrogen 2.858 N/A ARG 135.A N ALA 131.A O no hydrogen 2.744 N/A GLU 136.A N GLN 132.A O no hydrogen 3.048 N/A ALA 137.A N LEU 133.A O no hydrogen 2.889 N/A GLN 138.A N PHE 134.A O no hydrogen 2.971 N/A GLN 138.A NE2 SER 144.A O no hydrogen 3.006 N/A GLN 138.A NE2 HIS 147.A O no hydrogen 2.916 N/A ALA 139.A N ARG 135.A O no hydrogen 3.073 N/A CYS 140.A SG GLU 136.A O no hydrogen 3.437 N/A CYS 140.A SG ALA 137.A O no hydrogen 3.674 N/A GLY 141.A N GLN 138.A O no hydrogen 3.129 N/A GLU 142.A N ALA 137.A O no hydrogen 2.828 N/A LEU 143.A N ALA 137.A O no hydrogen 3.185 N/A HIS 147.A N SER 144.A O no hydrogen 3.171 N/A ASP 150.A N ASP 148.A OD1 no hydrogen 3.077 N/A LEU 152.A N ASP 148.A O no hydrogen 2.997 N/A ALA 153.A N PRO 149.A O no hydrogen 2.960 N/A GLU 154.A N ASP 150.A O no hydrogen 3.034 N/A ALA 155.A N ALA 151.A O no hydrogen 2.823 N/A PHE 156.A N LEU 152.A O no hydrogen 2.721 N/A TRP 157.A N ALA 153.A O no hydrogen 3.180 N/A TRP 157.A NE1 THR 130.A OG1 no hydrogen 2.814 N/A ILE 158.A N GLU 154.A O no hydrogen 2.973 N/A GLY 159.A N ALA 155.A O no hydrogen 2.984 N/A TRP 160.A N PHE 156.A O no hydrogen 2.805 N/A GLU 161.A N TRP 157.A O no hydrogen 3.213 N/A ALA 163.A N GLY 159.A O no hydrogen 2.853 N/A ILE 164.A N TRP 160.A O no hydrogen 3.026 N/A LEU 165.A N GLU 161.A O no hydrogen 3.011 N/A ARG 166.A N GLY 162.A O no hydrogen 3.152 N/A ARG 166.A NE GLU 170.A OE2 no hydrogen 2.803 N/A ARG 166.A NH2 GLU 170.A OE2 no hydrogen 3.038 N/A ALA 167.A N ALA 163.A O no hydrogen 2.810 N/A LYS 168.A N ILE 164.A O no hydrogen 2.959 N/A LYS 168.A NZ ASN 104.A OD1 no hydrogen 3.433 N/A LEU 169.A N LEU 165.A O no hydrogen 3.001 N/A GLU 170.A N ARG 166.A O no hydrogen 2.885 N/A ARG 172.A N ALA 167.A O no hydrogen 3.277 N/A ARG 172.A NE.A GLU 170.A OE1 no hydrogen 2.955 N/A ARG 172.A NE.B ASP 174.A OD2 no hydrogen 3.140 N/A ARG 172.A NH2.A GLU 170.A OE1 no hydrogen 2.866 N/A ARG 172.A NH2.B ASP 174.A OD2 no hydrogen 2.855 N/A LEU 176.A N PRO 173.A O no hydrogen 2.833 N/A HIS 177.A N PRO 173.A O no hydrogen 3.247 N/A HIS 177.A NE2 GLU 89.A OE1 no hydrogen 3.102 N/A HIS 177.A NE2 GLU 89.A OE2 no hydrogen 2.898 N/A SER 178.A N ASP 174.A O no hydrogen 2.915 N/A PHE 179.A N PRO 175.A O no hydrogen 2.967 N/A THR 180.A N LEU 176.A O no hydrogen 3.129 N/A THR 180.A OG1 LEU 176.A O no hydrogen 3.289 N/A THR 180.A OG1 HIS 177.A O no hydrogen 3.460 N/A ARG 181.A N HIS 177.A O no hydrogen 2.877 N/A THR 182.A N SER 178.A O no hydrogen 3.257 N/A THR 182.A OG1 SER 178.A O no hydrogen 3.311 N/A PHE 183.A N PHE 179.A O no hydrogen 2.883 N/A GLY 184.A N THR 180.A O no hydrogen 2.839 N/A ARG 185.A N THR 182.A O no hydrogen 3.329 N/A HIS 186.A N PHE 183.A O no hydrogen 2.988 N/A PHE 187.A N GLY 184.A O no hydrogen 3.240 N/A VAL 188.A N GLU 142.A O no hydrogen 3.225 N/A