Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u41_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A ND1 SER 5.A OG no hydrogen 2.800 N/A SER 5.A N HIS 3.A ND1 no hydrogen 3.369 N/A SER 5.A OG HIS 3.A ND1 no hydrogen 2.800 N/A GLN 6.A N HIS 3.A O no hydrogen 2.792 N/A GLN 6.A NE2 SER 5.A OG no hydrogen 3.024 N/A GLN 6.A NE2 ALA 139.A O no hydrogen 3.056 N/A ASN 9.A ND2 GLN 45.A O no hydrogen 2.878 N/A PHE 10.A N GLN 7.A O no hydrogen 3.220 N/A ALA 13.A N ASN 9.A O no hydrogen 2.885 N/A ALA 14.A N PHE 10.A O no hydrogen 2.899 N/A ARG 15.A N SER 11.A O no hydrogen 3.196 N/A VAL 16.A N VAL 12.A O no hydrogen 3.345 N/A LEU 17.A N ALA 13.A O no hydrogen 3.175 N/A GLY 18.A N ALA 14.A O no hydrogen 2.899 N/A ALA 19.A N ARG 15.A O no hydrogen 2.814 N/A LEU 20.A N VAL 16.A O no hydrogen 3.127 N/A PHE 21.A N LEU 17.A O no hydrogen 3.166 N/A TYR 22.A N ALA 19.A O no hydrogen 3.154 N/A TYR 23.A N ALA 19.A O no hydrogen 2.771 N/A SER 27.A N ALA 24.A O no hydrogen 2.873 N/A SER 27.A OG ALA 24.A O no hydrogen 2.651 N/A SER 27.A OG GLU 29.A OE1 no hydrogen 3.513 N/A GLU 29.A N GLU 29.A OE1 no hydrogen 2.906 N/A ALA 30.A N SER 27.A OG no hydrogen 2.956 N/A ALA 31.A N SER 27.A O no hydrogen 2.959 N/A LEU 33.A N ALA 30.A O no hydrogen 2.837 N/A VAL 34.A N ALA 30.A O no hydrogen 2.840 N/A ALA 35.A N ALA 31.A O no hydrogen 3.009 N/A VAL 36.A N PRO 32.A O no hydrogen 3.102 N/A LEU 37.A N LEU 33.A O no hydrogen 3.027 N/A THR 38.A N VAL 34.A O no hydrogen 3.060 N/A THR 38.A OG1 VAL 34.A O no hydrogen 2.538 N/A THR 38.A OG1 ALA 35.A O no hydrogen 3.170 N/A SER 39.A N VAL 36.A O no hydrogen 3.234 N/A SER 39.A OG ASP 40.A O no hydrogen 3.458 N/A GLY 41.A N GLU 43.A OE1 no hydrogen 3.206 N/A GLU 43.A N GLU 43.A OE1 no hydrogen 2.893 N/A THR 44.A N GLY 41.A O no hydrogen 3.292 N/A THR 44.A OG1 GLY 41.A O no hydrogen 2.685 N/A GLN 45.A N TRP 42.A O no hydrogen 3.352 N/A TRP 46.A N TRP 42.A O no hydrogen 3.173 N/A TRP 46.A NE1 THR 185.A OG1 no hydrogen 2.960 N/A LEU 48.A N TRP 46.A O no hydrogen 2.904 N/A SER 52.A N PRO 49.A O no hydrogen 3.015 N/A SER 52.A OG PRO 49.A O no hydrogen 2.578 N/A LEU 53.A N GLU 50.A O no hydrogen 3.295 N/A ALA 54.A N ALA 51.A O no hydrogen 3.408 N/A VAL 57.A N LEU 53.A O no hydrogen 2.978 N/A THR 58.A N ALA 54.A O no hydrogen 3.294 N/A THR 58.A OG1 ALA 54.A O no hydrogen 3.414 N/A ALA 59.A N PRO 55.A O no hydrogen 2.816 N/A PHE 60.A N LEU 56.A O no hydrogen 2.796 N/A GLN 61.A N THR 58.A O no hydrogen 3.114 N/A GLN 61.A NE2 ASP 40.A OD1 no hydrogen 2.952 N/A GLN 61.A NE2 VAL 57.A O no hydrogen 3.358 N/A THR 62.A N ALA 59.A O no hydrogen 3.069 N/A THR 62.A OG1 THR 58.A O no hydrogen 3.133 N/A THR 62.A OG1 ALA 59.A O no hydrogen 2.993 N/A CYS 64.A SG GLU 66.A O no hydrogen 3.647 N/A THR 67.A N GLN 70.A OE1 no hydrogen 3.156 N/A GLN 70.A N THR 67.A OG1 no hydrogen 3.120 N/A ALA 71.A N THR 67.A O no hydrogen 3.107 N/A TRP 72.A N HIS 68.A O no hydrogen 2.912 N/A GLN 73.A N ALA 69.A O no hydrogen 3.020 N/A GLN 73.A NE2 GLY 78.A O no hydrogen 3.073 N/A ARG 74.A N GLN 70.A O no hydrogen 3.056 N/A ARG 74.A NE GLU 66.A OE2 no hydrogen 2.966 N/A ARG 74.A NH1 ALA 170.A O no hydrogen 3.220 N/A ARG 74.A NH2 GLU 66.A OE1 no hydrogen 2.933 N/A ARG 74.A NH2 GLU 66.A OE2 no hydrogen 3.398 N/A ARG 74.A NH2 ALA 170.A O no hydrogen 2.975 N/A LEU 75.A N ALA 71.A O no hydrogen 2.917 N/A PHE 76.A N TRP 72.A O no hydrogen 2.835 N/A VAL 77.A N GLN 73.A O no hydrogen 3.093 N/A GLY 78.A N GLN 73.A O no hydrogen 3.091 N/A SER 84.A OG PHE 162.A O no hydrogen 3.042 N/A GLY 88.A N ASP 126.A O no hydrogen 2.875 N/A SER 89.A N ASP 126.A OD2 no hydrogen 2.881 N/A SER 89.A OG VAL 97.A O no hydrogen 2.637 N/A SER 89.A OG THR 103.A OG1 no hydrogen 3.288 N/A SER 89.A OG ASP 126.A OD2 no hydrogen 3.387 N/A VAL 90.A N TRP 87.A O no hydrogen 3.175 N/A TRP 91.A N GLY 88.A O no hydrogen 2.856 N/A TRP 91.A NE1 PRO 85.A O no hydrogen 2.945 N/A LEU 92.A N GLY 88.A O no hydrogen 3.086 N/A ASP 93.A N SER 89.A O no hydrogen 3.131 N/A GLU 95.A N ASP 93.A OD1 no hydrogen 2.833 N/A SER 96.A N ASP 93.A O no hydrogen 2.848 N/A SER 96.A OG VAL 90.A O no hydrogen 2.619 N/A GLY 100.A N THR 103.A OG1 no hydrogen 2.963 N/A ASP 101.A N ASP 93.A OD2 no hydrogen 3.229 N/A THR 103.A OG1 ASP 126.A OD2 no hydrogen 2.578 N/A LEU 104.A N GLY 100.A O no hydrogen 3.069 N/A ALA 105.A N ASP 101.A O no hydrogen 3.136 N/A LEU 106.A N SER 102.A O no hydrogen 3.064 N/A ARG 107.A N THR 103.A O no hydrogen 2.924 N/A ARG 107.A NE GLU 125.A OE2 no hydrogen 2.906 N/A ARG 107.A NH2 GLU 125.A OE1 no hydrogen 3.209 N/A GLN 108.A N LEU 104.A O no hydrogen 2.928 N/A TRP 109.A N ALA 105.A O no hydrogen 3.170 N/A TRP 109.A NE1 GLU 149.A OE1 no hydrogen 2.944 N/A MET 110.A N LEU 106.A O no hydrogen 2.997 N/A ARG 111.A N ARG 107.A O no hydrogen 3.053 N/A GLU 112.A N GLN 108.A O no hydrogen 2.886 N/A LYS 113.A N TRP 109.A O no hydrogen 3.076 N/A GLY 114.A N ARG 111.A O no hydrogen 2.977 N/A ILE 115.A N MET 110.A O no hydrogen 2.872 N/A GLU 123.A N LYS 120.A O no hydrogen 3.202 N/A GLU 125.A N GLU 125.A OE1 no hydrogen 2.576 N/A PHE 128.A N PRO 86.A O no hydrogen 2.804 N/A GLY 129.A N HIS 127.A ND1 no hydrogen 3.175 N/A LEU 131.A N HIS 127.A O no hydrogen 2.983 N/A LEU 132.A N PHE 128.A O no hydrogen 3.245 N/A LEU 133.A N GLY 129.A O no hydrogen 3.018 N/A MET 134.A N SER 130.A O no hydrogen 2.850 N/A ALA 135.A N LEU 131.A O no hydrogen 2.917 N/A ALA 136.A N LEU 132.A O no hydrogen 3.006 N/A TRP 137.A N LEU 133.A O no hydrogen 2.987 N/A LEU 138.A N MET 134.A O no hydrogen 2.951 N/A ALA 139.A N ALA 135.A O no hydrogen 3.026 N/A GLU 140.A N ALA 136.A O no hydrogen 2.921 N/A ASN 141.A N TRP 137.A O no hydrogen 3.171 N/A GLY 142.A N ALA 139.A O no hydrogen 2.959 N/A ARG 143.A N LEU 138.A O no hydrogen 2.917 N/A ARG 143.A NH1 LYS 113.A O no hydrogen 3.396 N/A ARG 143.A NH2 LYS 113.A O no hydrogen 2.821 N/A CYS 147.A N ARG 143.A O no hydrogen 3.104 N/A CYS 147.A SG ALA 135.A O no hydrogen 3.471 N/A GLU 148.A N GLN 144.A O no hydrogen 2.992 N/A GLU 149.A N THR 145.A O no hydrogen 2.831 N/A LEU 150.A N GLU 146.A O no hydrogen 2.916 N/A LEU 151.A N CYS 147.A O no hydrogen 3.317 N/A ALA 152.A N GLU 148.A O no hydrogen 2.960 N/A TRP 153.A N GLU 149.A O no hydrogen 2.877 N/A HIS 154.A N LEU 150.A O no hydrogen 2.983 N/A PHE 156.A N LEU 151.A O no hydrogen 2.797 N/A TRP 158.A N LEU 155.A O no hydrogen 3.233 N/A TRP 158.A NE1 HIS 154.A O no hydrogen 2.821 N/A SER 159.A N LEU 155.A O no hydrogen 2.962 N/A SER 159.A OG LEU 155.A O no hydrogen 3.092 N/A ARG 161.A NE ARG 204.A O no hydrogen 2.950 N/A ARG 161.A NE ARG 204.A OXT no hydrogen 3.304 N/A ARG 161.A NH2 ARG 204.A OXT no hydrogen 2.750 N/A PHE 162.A N TRP 158.A O no hydrogen 3.154 N/A LEU 163.A N SER 159.A O no hydrogen 2.923 N/A ASP 164.A N THR 160.A O no hydrogen 2.907 N/A VAL 165.A N ARG 161.A O no hydrogen 3.155 N/A PHE 166.A N PHE 162.A O no hydrogen 2.835 N/A ILE 167.A N LEU 163.A O no hydrogen 2.825 N/A GLU 168.A N ASP 164.A O no hydrogen 3.298 N/A LYS 169.A N VAL 165.A O no hydrogen 2.911 N/A LYS 169.A N PHE 166.A O no hydrogen 3.199 N/A HIS 172.A NE2 GLU 66.A O no hydrogen 2.727 N/A ARG 176.A N HIS 172.A O no hydrogen 2.804 N/A ALA 177.A N PRO 173.A O no hydrogen 3.000 N/A LEU 178.A N PHE 174.A O no hydrogen 2.936 N/A GLY 179.A N TYR 175.A O no hydrogen 3.073 N/A GLU 180.A N ARG 176.A O no hydrogen 3.091 N/A LEU 181.A N ALA 177.A O no hydrogen 2.941 N/A ALA 182.A N LEU 178.A O no hydrogen 2.911 N/A ARG 183.A N GLY 179.A O no hydrogen 2.893 N/A ARG 183.A NH1 ASP 164.A OD1 no hydrogen 3.030 N/A LEU 184.A N GLU 180.A O no hydrogen 3.000 N/A THR 185.A N LEU 181.A O no hydrogen 2.883 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.724 N/A LEU 186.A N ALA 182.A O no hydrogen 2.892 N/A ALA 187.A N ARG 183.A O no hydrogen 3.003 N/A GLN 188.A N LEU 184.A O no hydrogen 2.999 N/A TRP 189.A N THR 185.A O no hydrogen 3.010 N/A GLN 190.A N LEU 186.A O no hydrogen 2.858 N/A SER 191.A N ALA 187.A O no hydrogen 3.234 N/A SER 191.A OG GLN 188.A O no hydrogen 2.659 N/A GLN 192.A N TRP 189.A O no hydrogen 3.030 N/A LEU 193.A N GLN 190.A O no hydrogen 3.358 N/A LEU 194.A N GLU 148.A OE1 no hydrogen 2.591 N/A ALA 198.A N ALA 152.A O no hydrogen 2.916 N/A PHE 203.A N TRP 91.A O no hydrogen 2.961 N/A