Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A NE2 ASN 21.A OD1 no hydrogen 2.827 N/A ILE 5.A N GLY 1.A O no hydrogen 3.240 N/A LEU 6.A N VAL 2.A O no hydrogen 3.041 N/A SER 7.A N GLN 3.A O no hydrogen 2.939 N/A SER 7.A OG GLN 3.A O no hydrogen 3.185 N/A SER 7.A OG GLU 4.A O no hydrogen 2.556 N/A ARG 8.A N ILE 5.A O no hydrogen 3.307 N/A ALA 9.A N LEU 6.A O no hydrogen 3.110 N/A PHE 12.A N ALA 9.A O no hydrogen 2.987 N/A GLN 13.A N GLY 10.A O no hydrogen 3.056 N/A GLN 13.A NE2 SER 7.A O no hydrogen 3.227 N/A GLN 13.A NE2 ALA 9.A O no hydrogen 2.990 N/A VAL 15.A N PHE 12.A O no hydrogen 3.290 N/A THR 18.A N ASP 16.A OD1 no hydrogen 3.102 N/A VAL 20.A N ASP 16.A O no hydrogen 3.002 N/A ASN 21.A N PRO 17.A O no hydrogen 2.924 N/A ASN 22.A N THR 18.A O no hydrogen 3.092 N/A LEU 23.A N ALA 19.A O no hydrogen 2.789 N/A ILE 24.A N VAL 20.A O no hydrogen 2.887 N/A GLN 25.A N ASN 21.A O no hydrogen 3.155 N/A ASP 26.A N ASN 22.A O no hydrogen 3.401 N/A ASP 26.A N LEU 23.A O no hydrogen 3.071 N/A MET 27.A N ILE 24.A O no hydrogen 2.903 N/A GLU 28.A N THR 104.A O no hydrogen 2.930 N/A VAL 30.A N ALA 102.A O no hydrogen 3.028 N/A PHE 32.A N VAL 100.A O no hydrogen 2.726 N/A GLY 35.A N CYS 96.A O no hydrogen 2.752 N/A ALA 36.A N PRO 33.A O no hydrogen 3.032 N/A ILE 38.A N ALA 94.A O no hydrogen 2.936 N/A ASP 40.A N GLU 43.A OE1 no hydrogen 2.549 N/A GLU 41.A N SER 93.A OG no hydrogen 2.955 N/A GLY 42.A N ARG 90.A O no hydrogen 3.036 N/A GLU 43.A N ASP 40.A O no hydrogen 3.149 N/A ARG 47.A NE THR 104.A OG1 no hydrogen 3.294 N/A LEU 48.A N MET 105.A O no hydrogen 2.950 N/A TYR 49.A N PHE 79.A O no hydrogen 2.733 N/A ILE 50.A N ALA 103.A O no hydrogen 2.794 N/A ILE 51.A N ASP 77.A O no hydrogen 3.122 N/A THR 52.A N HIS 101.A O no hydrogen 2.612 N/A THR 52.A OG1 HIS 101.A O no hydrogen 3.029 N/A SER 53.A N HIS 101.A O no hydrogen 3.166 N/A LYS 55.A N THR 98.A OG1 no hydrogen 3.082 N/A LYS 55.A NZ ASN 173.A O no hydrogen 2.714 N/A LYS 55.A NZ ASP 175.A OD2 no hydrogen 2.784 N/A VAL 56.A N MET 73.A O no hydrogen 3.092 N/A LYS 57.A N VAL 95.A O no hydrogen 2.838 N/A LYS 57.A NZ GLU 180.A OE2 no hydrogen 2.799 N/A LEU 58.A N THR 71.A O no hydrogen 3.126 N/A ALA 59.A N SER 93.A O no hydrogen 2.903 N/A ARG 60.A N ASN 68.A O no hydrogen 3.112 N/A HIS 61.A ND1 GLU 41.A OE1 no hydrogen 2.685 N/A ALA 62.A N ARG 66.A O no hydrogen 2.826 N/A GLY 65.A N ALA 62.A O no hydrogen 2.724 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 3.080 N/A ARG 66.A NE ASP 64.A OD1 no hydrogen 3.045 N/A ARG 66.A NE ASP 64.A OD2 no hydrogen 2.814 N/A ARG 66.A NH2 ASP 64.A OD2 no hydrogen 2.671 N/A ASN 68.A N ARG 60.A O no hydrogen 3.147 N/A LEU 69.A N GLN 183.A O no hydrogen 2.926 N/A LEU 70.A N LEU 58.A O no hydrogen 2.912 N/A MET 73.A N VAL 56.A O no hydrogen 2.833 N/A GLY 74.A N ASP 77.A OD2 no hydrogen 2.821 N/A SER 76.A N ILE 51.A O no hydrogen 2.720 N/A SER 76.A OG ILE 5.A O no hydrogen 2.533 N/A ASP 77.A N GLY 74.A O no hydrogen 2.984 N/A PHE 79.A N TYR 49.A O no hydrogen 2.814 N/A GLU 81.A N GLU 81.A OE1 no hydrogen 2.760 N/A ILE 84.A N GLU 81.A O no hydrogen 2.801 N/A PHE 85.A N LEU 82.A O no hydrogen 3.288 N/A ASP 86.A N LEU 82.A O no hydrogen 3.008 N/A ARG 90.A N GLU 43.A O no hydrogen 2.682 N/A ARG 90.A NH1 ARG 47.A O no hydrogen 3.335 N/A ARG 90.A NH1 GLY 80.A O no hydrogen 3.013 N/A ARG 90.A NH2 ARG 47.A O no hydrogen 2.952 N/A SER 93.A N ALA 59.A O no hydrogen 2.850 N/A SER 93.A OG ASP 40.A OD1 no hydrogen 2.778 N/A ALA 94.A N PHE 39.A O no hydrogen 2.921 N/A VAL 95.A N LYS 57.A O no hydrogen 3.062 N/A CYS 96.A N ALA 36.A O no hydrogen 2.919 N/A CYS 96.A SG ALA 36.A O no hydrogen 3.670 N/A VAL 97.A N LYS 55.A O no hydrogen 2.719 N/A THR 98.A N LYS 55.A O no hydrogen 3.425 N/A THR 98.A OG1 GLU 99.A O no hydrogen 2.886 N/A VAL 100.A N PHE 32.A O no hydrogen 2.928 N/A HIS 101.A N SER 53.A O no hydrogen 2.883 N/A HIS 101.A NE2 GLU 99.A OE2 no hydrogen 2.994 N/A ALA 102.A N VAL 30.A O no hydrogen 2.993 N/A ALA 103.A N ILE 50.A O no hydrogen 2.892 N/A THR 104.A N GLU 28.A O no hydrogen 2.945 N/A THR 104.A OG1 LEU 48.A O no hydrogen 2.739 N/A MET 105.A N LEU 48.A O no hydrogen 3.223 N/A SER 107.A N ASP 46.A OD1 no hydrogen 3.089 N/A MET 109.A N ASN 106.A OD1 no hydrogen 2.953 N/A LEU 110.A N ASN 106.A O no hydrogen 3.256 N/A ARG 111.A N SER 107.A O no hydrogen 2.912 N/A ARG 111.A NH2 ILE 84.A O no hydrogen 3.023 N/A ASN 112.A N ASP 108.A O no hydrogen 3.054 N/A TRP 113.A N MET 109.A O no hydrogen 3.075 N/A VAL 114.A N LEU 110.A O no hydrogen 3.008 N/A ALA 115.A N ARG 111.A O no hydrogen 2.954 N/A ASP 116.A N ASN 112.A O no hydrogen 3.040 N/A HIS 117.A N VAL 114.A O no hydrogen 3.069 N/A ILE 120.A N HIS 117.A O no hydrogen 2.716 N/A GLU 122.A N PRO 118.A O no hydrogen 3.261 N/A GLN 123.A N ALA 119.A O no hydrogen 3.007 N/A LEU 124.A N ILE 120.A O no hydrogen 2.936 N/A LEU 125.A N ALA 121.A O no hydrogen 3.038 N/A ARG 126.A N GLU 122.A O no hydrogen 3.137 N/A ARG 126.A NE GLN 123.A OE1 no hydrogen 3.205 N/A ARG 126.A NH2 GLN 123.A OE1 no hydrogen 3.517 N/A VAL 127.A N GLN 123.A O no hydrogen 2.986 N/A LEU 128.A N LEU 124.A O no hydrogen 3.191 N/A ALA 129.A N LEU 125.A O no hydrogen 2.937 N/A ARG 130.A N ARG 126.A O no hydrogen 2.974 N/A ARG 131.A N VAL 127.A O no hydrogen 3.008 N/A ARG 131.A NH1 MET 78.A O no hydrogen 3.092 N/A ARG 131.A NH1 GLU 81.A OE1 no hydrogen 3.090 N/A ARG 131.A NH2 MET 78.A O no hydrogen 2.401 N/A LEU 132.A N LEU 128.A O no hydrogen 2.975 N/A ARG 133.A N ALA 129.A O no hydrogen 2.661 N/A ARG 134.A N ARG 130.A O no hydrogen 2.893 N/A THR 135.A N ARG 131.A O no hydrogen 2.964 N/A THR 135.A OG1 ARG 131.A O no hydrogen 2.641 N/A ASN 136.A N LEU 132.A O no hydrogen 2.947 N/A ALA 137.A N ARG 133.A O no hydrogen 3.345 N/A SER 138.A N ARG 134.A O no hydrogen 3.065 N/A LEU 139.A N THR 135.A O no hydrogen 2.942 N/A ALA 140.A N ASN 136.A O no hydrogen 2.913 N/A ASP 141.A N ALA 137.A O no hydrogen 2.758 N/A LEU 142.A N SER 138.A O no hydrogen 3.129 N/A ILE 143.A N LEU 139.A O no hydrogen 3.084 N/A ILE 143.A N ALA 140.A O no hydrogen 2.845 N/A PHE 144.A N ALA 140.A O no hydrogen 2.783 N/A THR 145.A N ASP 141.A O no hydrogen 2.988 N/A GLY 149.A N ASP 146.A OD1 no hydrogen 3.166 N/A ARG 150.A N ASP 146.A O no hydrogen 3.031 N/A ARG 150.A NH2 VAL 185.A O no hydrogen 3.202 N/A VAL 151.A N VAL 147.A O no hydrogen 2.976 N/A ALA 152.A N PRO 148.A O no hydrogen 2.953 N/A LYS 153.A N GLY 149.A O no hydrogen 2.906 N/A THR 154.A N ARG 150.A O no hydrogen 2.772 N/A THR 154.A OG1 ARG 150.A O no hydrogen 3.046 N/A LEU 155.A N VAL 151.A O no hydrogen 2.962 N/A LEU 156.A N ALA 152.A O no hydrogen 3.148 N/A GLN 157.A N LYS 153.A O no hydrogen 2.838 N/A LEU 158.A N THR 154.A O no hydrogen 2.894 N/A ALA 159.A N LEU 155.A O no hydrogen 2.867 N/A ASN 160.A N LEU 156.A O no hydrogen 2.942 N/A ARG 161.A N GLN 157.A O no hydrogen 2.981 N/A ARG 161.A NE ASP 77.A OD2 no hydrogen 3.001 N/A ARG 161.A NH1 ARG 161.A O no hydrogen 3.076 N/A ARG 161.A NH2 PRO 75.A O no hydrogen 2.978 N/A ARG 161.A NH2 ASP 77.A OD2 no hydrogen 2.727 N/A PHE 162.A N LEU 158.A O no hydrogen 2.716 N/A GLY 163.A N ALA 159.A O no hydrogen 2.761 N/A THR 164.A N ARG 171.A O no hydrogen 2.752 N/A GLU 166.A N ALA 169.A O no hydrogen 2.813 N/A ALA 169.A N GLU 166.A O no hydrogen 2.693 N/A LEU 170.A N ILE 214.A O no hydrogen 3.007 N/A ARG 171.A N THR 164.A O no hydrogen 2.550 N/A ARG 171.A NE GLU 166.A OE2 no hydrogen 2.666 N/A ARG 171.A NH1 GLU 208.A OE1.B no hydrogen 3.563 N/A ARG 171.A NH1 SER 211.A OG no hydrogen 3.392 N/A ARG 171.A NH2 GLU 166.A OE1 no hydrogen 2.172 N/A ARG 171.A NH2 GLU 208.A OE1.B no hydrogen 3.479 N/A VAL 172.A N VAL 212.A O no hydrogen 2.965 N/A ASP 175.A N LYS 210.A O no hydrogen 2.993 N/A LEU 176.A N HIS 174.A ND1 no hydrogen 2.957 N/A THR 177.A N GLU 180.A OE1 no hydrogen 2.869 N/A GLN 178.A NE2 ASN 193.A OD1 no hydrogen 3.126 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.158 N/A ILE 181.A N THR 177.A O no hydrogen 3.056 N/A ALA 182.A N GLN 178.A O no hydrogen 3.195 N/A GLN 183.A N GLU 179.A O no hydrogen 2.839 N/A LEU 184.A N GLU 180.A O no hydrogen 2.851 N/A VAL 185.A N ILE 181.A O no hydrogen 2.867 N/A GLY 186.A N ALA 182.A O no hydrogen 2.837 N/A GLY 186.A N GLN 183.A O no hydrogen 3.275 N/A ALA 187.A N ALA 182.A O no hydrogen 3.320 N/A SER 188.A OG THR 191.A OG1 no hydrogen 2.516 N/A THR 191.A N SER 188.A OG no hydrogen 3.157 N/A THR 191.A OG1 SER 188.A OG no hydrogen 2.516 N/A VAL 192.A N SER 188.A O no hydrogen 3.209 N/A ASN 193.A N ARG 189.A O no hydrogen 2.859 N/A LYS 194.A N GLU 190.A O no hydrogen 2.748 N/A ALA 195.A N THR 191.A O no hydrogen 2.906 N/A LEU 196.A N VAL 192.A O no hydrogen 3.001 N/A ALA 197.A N ASN 193.A O no hydrogen 2.831 N/A THR 198.A N LYS 194.A O no hydrogen 2.812 N/A THR 198.A OG1 LYS 194.A O no hydrogen 3.332 N/A PHE 199.A N ALA 195.A O no hydrogen 2.891 N/A ALA 200.A N LEU 196.A O no hydrogen 2.939 N/A HIS 201.A N ALA 197.A O no hydrogen 2.801 N/A ARG 202.A N THR 198.A O no hydrogen 3.011 N/A GLY 203.A N ALA 200.A O no hydrogen 2.625 N/A TRP 204.A N PHE 199.A O no hydrogen 3.003 N/A ARG 206.A N LEU 213.A O no hydrogen 2.952 N/A GLU 208.A N SER 211.A O no hydrogen 3.228 N/A SER 211.A OG ASN 173.A OD1 no hydrogen 2.833 N/A VAL 212.A N VAL 172.A O no hydrogen 3.219 N/A LEU 213.A N ARG 206.A O no hydrogen 3.036 N/A ILE 214.A N LEU 170.A O no hydrogen 3.026 N/A VAL 215.A N TRP 204.A O no hydrogen 2.759 N/A ASP 216.A N TRP 204.A O no hydrogen 3.371 N/A LEU 220.A N ASP 216.A O no hydrogen 3.445 N/A ALA 221.A N THR 217.A O no hydrogen 2.656 N/A ARG 222.A N GLU 218.A O no hydrogen 2.668 N/A ARG 223.A N HIS 219.A O no hydrogen 2.981 N/A ARG 223.A NH1 ASP 146.A OD1 no hydrogen 3.173 N/A ARG 223.A NH1 ASP 146.A OD2 no hydrogen 3.244 N/A ARG 223.A NH1 ARG 223.A O no hydrogen 3.006 N/A ARG 223.A NH2 ASP 146.A OD2 no hydrogen 3.062 N/A ALA 224.A N LEU 220.A O no hydrogen 3.155 N/A ALA 224.A N ALA 221.A O no hydrogen 3.072 N/A