Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1al3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A N ARG 31.A O no hydrogen 2.761 N/A ASP 4.A N ASP 4.A OD1 no hydrogen 2.449 N/A GLY 6.A N ARG 34.A O.B no hydrogen 3.215 N/A SER 7.A N.B TYR 196.A OH no hydrogen 3.058 N/A SER 7.A OG.B GLY 6.A O no hydrogen 2.807 N/A SER 7.A OG.B SER 36.A O.A no hydrogen 2.951 N/A SER 7.A OG.B SER 36.A O.B no hydrogen 3.156 N/A LEU 8.A N SER 36.A O.A no hydrogen 3.363 N/A LEU 8.A N SER 36.A O.B no hydrogen 2.789 N/A TYR 9.A N ASP 57.A OD2 no hydrogen 2.780 N/A VAL 10.A N HIS 38.A O no hydrogen 2.897 N/A ALA 11.A N PHE 58.A O no hydrogen 2.794 N/A THR 12.A N HIS 40.A O no hydrogen 2.759 N/A THR 12.A OG1 ILE 60.A O no hydrogen 2.556 N/A THR 13.A N THR 12.A OG1 no hydrogen 2.686 N/A HIS 14.A NE2 ASP 141.A OD2 no hydrogen 2.710 N/A GLN 16.A N THR 13.A OG1 no hydrogen 3.188 N/A ALA 17.A N THR 13.A O no hydrogen 2.985 N/A ARG 18.A N HIS 14.A O no hydrogen 2.837 N/A ARG 18.A NE ASP 141.A OD2 no hydrogen 2.786 N/A ARG 18.A NH2 ASP 141.A OD1 no hydrogen 2.897 N/A ARG 18.A NH2 ASP 141.A OD2 no hydrogen 3.329 N/A TYR 19.A N THR 15.A O no hydrogen 2.958 N/A ALA 20.A N GLN 16.A O no hydrogen 2.951 N/A LEU 21.A N GLN 16.A O no hydrogen 2.784 N/A ILE 25.A N LEU 21.A O no hydrogen 2.895 N/A LYS 26.A N PRO 22.A O no hydrogen 2.882 N/A GLY 27.A N GLY 23.A O no hydrogen 2.958 N/A PHE 28.A N VAL 24.A O no hydrogen 2.813 N/A ILE 29.A N.A ILE 25.A O no hydrogen 2.879 N/A ILE 29.A N.B ILE 25.A O no hydrogen 2.885 N/A GLU 30.A N LYS 26.A O no hydrogen 3.142 N/A ARG 31.A N GLY 27.A O no hydrogen 3.088 N/A TYR 32.A N PHE 28.A O no hydrogen 2.789 N/A VAL 35.A N TYR 32.A O no hydrogen 3.090 N/A SER 36.A N.A GLY 6.A O no hydrogen 2.930 N/A SER 36.A N.B GLY 6.A O no hydrogen 2.812 N/A SER 36.A OG.A GLY 6.A O no hydrogen 2.911 N/A SER 36.A OG.A SER 7.A OG.B no hydrogen 2.239 N/A SER 36.A OG.B HIS 38.A NE2 no hydrogen 3.036 N/A HIS 38.A N LEU 8.A O no hydrogen 2.726 N/A HIS 40.A N VAL 10.A O no hydrogen 2.897 N/A GLY 42.A N THR 12.A O no hydrogen 2.774 N/A SER 43.A N GLN 46.A OE1 no hydrogen 3.169 N/A GLN 46.A N SER 43.A OG no hydrogen 3.212 N/A ILE 47.A N.A SER 43.A O no hydrogen 2.900 N/A ILE 47.A N.B SER 43.A O no hydrogen 2.862 N/A ALA 48.A N.A PRO 44.A O no hydrogen 2.945 N/A ALA 48.A N.A THR 45.A O.A no hydrogen 2.974 N/A ALA 48.A N.B PRO 44.A O no hydrogen 3.032 N/A GLU 49.A N THR 45.A O.A no hydrogen 2.936 N/A GLU 49.A N THR 45.A O.B no hydrogen 3.107 N/A ALA 50.A N GLN 46.A O no hydrogen 2.970 N/A VAL 51.A N ILE 47.A O.B no hydrogen 2.958 N/A SER 52.A N ALA 48.A O.A no hydrogen 2.919 N/A SER 52.A N ALA 48.A O.B no hydrogen 2.844 N/A SER 52.A OG ALA 48.A O.A no hydrogen 3.179 N/A SER 52.A OG ALA 48.A O.B no hydrogen 3.263 N/A SER 52.A OG HIS 66.A ND1 no hydrogen 2.743 N/A SER 52.A OG ASP 69.A OD2 no hydrogen 2.113 N/A LYS 53.A N GLU 49.A O no hydrogen 3.026 N/A GLY 54.A N VAL 51.A O no hydrogen 3.212 N/A ASN 55.A N ALA 50.A O no hydrogen 2.917 N/A ASP 57.A N TYR 9.A O no hydrogen 2.735 N/A PHE 58.A N TYR 9.A O no hydrogen 3.127 N/A ALA 59.A N GLY 186.A O no hydrogen 2.834 N/A ILE 60.A N ALA 11.A O no hydrogen 2.979 N/A ALA 61.A N LYS 184.A O.A no hydrogen 3.140 N/A ALA 61.A N LYS 184.A O.B no hydrogen 3.119 N/A THR 62.A OG1 THR 183.A OG1 no hydrogen 2.947 N/A HIS 66.A ND1 SER 52.A OG no hydrogen 2.743 N/A ASP 69.A N HIS 66.A O no hydrogen 3.452 N/A VAL 72.A N PHE 187.A O no hydrogen 2.752 N/A LEU 74.A N ILE 185.A O no hydrogen 2.719 N/A CYS 76.A N THR 183.A O no hydrogen 2.826 N/A CYS 76.A SG LEU 74.A O no hydrogen 3.794 N/A TYR 77.A N THR 183.A O no hydrogen 3.456 N/A TYR 77.A OH GLN 16.A OE1 no hydrogen 2.614 N/A HIS 78.A N PRO 235.A O no hydrogen 2.957 N/A HIS 78.A ND1 THR 182.A OG1 no hydrogen 2.746 N/A TRP 79.A N SER 181.A O no hydrogen 2.947 N/A TRP 79.A NE1 THR 62.A OG1 no hydrogen 2.947 N/A ASN 80.A ND2 PHE 178.A O no hydrogen 2.892 N/A ARG 81.A N ASN 80.A OD1 no hydrogen 2.677 N/A ARG 81.A NE ASN 80.A OD1 no hydrogen 2.860 N/A ARG 81.A NH1 SER 181.A OG no hydrogen 3.128 N/A ARG 81.A NH2 ASN 80.A OD1 no hydrogen 3.084 N/A ARG 81.A NH2 SER 181.A OG no hydrogen 3.023 N/A SER 82.A N ILE 156.A O no hydrogen 2.632 N/A SER 82.A OG SER 158.A OG.B no hydrogen 2.446 N/A ILE 83.A N LEU 172.A O no hydrogen 2.886 N/A VAL 84.A N.A GLY 154.A O no hydrogen 2.864 N/A VAL 84.A N.B GLY 154.A O no hydrogen 2.855 N/A VAL 85.A N VAL 170.A O no hydrogen 3.126 N/A HIS 89.A N THR 86.A O no hydrogen 3.044 N/A LEU 91.A N HIS 89.A ND1 no hydrogen 2.942 N/A ALA 92.A N HIS 89.A O no hydrogen 2.746 N/A LYS 94.A N LEU 91.A O no hydrogen 2.806 N/A LYS 94.A NZ GLU 101.A OE2 no hydrogen 2.402 N/A SER 96.A OG.B GLY 95.A O no hydrogen 3.470 N/A SER 96.A OG.B ASN 175.A OD1.B no hydrogen 3.569 N/A SER 98.A N GLU 101.A OE1 no hydrogen 2.978 N/A SER 98.A OG GLU 101.A OE1 no hydrogen 3.091 N/A GLU 100.A N GLU 100.A OE1 no hydrogen 2.818 N/A GLU 101.A N SER 98.A OG no hydrogen 3.139 N/A LEU 102.A N SER 98.A O no hydrogen 2.744 N/A ALA 103.A N ILE 99.A O no hydrogen 2.943 N/A GLN 104.A N.A GLU 101.A O no hydrogen 2.981 N/A GLN 104.A N.B GLU 101.A O no hydrogen 2.965 N/A GLN 104.A NE2.B GLU 101.A O no hydrogen 3.145 N/A TYR 105.A N LEU 102.A O no hydrogen 3.213 N/A LEU 107.A N ARG 132.A O.A no hydrogen 2.888 N/A LEU 107.A N ARG 132.A O.B no hydrogen 2.740 N/A VAL 108.A N VAL 153.A O no hydrogen 2.824 N/A THR 109.A N PHE 135.A O no hydrogen 2.970 N/A THR 109.A OG1 VAL 155.A O no hydrogen 2.741 N/A TYR 110.A N THR 109.A OG1 no hydrogen 2.722 N/A THR 111.A N ALA 137.A O no hydrogen 2.785 N/A PHE 114.A N THR 111.A O no hydrogen 3.277 N/A GLY 116.A N GLU 63.A OE2 no hydrogen 2.702 N/A ARG 117.A N PHE 114.A O no hydrogen 2.968 N/A ARG 117.A NE ASP 121.A OD2 no hydrogen 2.823 N/A ARG 117.A NH1 TYR 110.A O no hydrogen 2.825 N/A ARG 117.A NH2 ASP 121.A OD1 no hydrogen 3.082 N/A GLU 119.A N GLY 116.A O no hydrogen 3.064 N/A LEU 120.A N ARG 117.A O no hydrogen 2.698 N/A ASP 121.A N ARG 117.A O no hydrogen 3.354 N/A THR 122.A N SER 118.A O no hydrogen 2.808 N/A THR 122.A OG1 SER 118.A O no hydrogen 3.040 N/A ALA 123.A N GLU 119.A O no hydrogen 3.187 N/A PHE 124.A N LEU 120.A O no hydrogen 3.070 N/A ASN 125.A N ASP 121.A O no hydrogen 2.801 N/A ARG 126.A N THR 122.A O no hydrogen 2.813 N/A ALA 127.A N ALA 123.A O no hydrogen 3.070 N/A GLY 128.A N ASN 125.A O no hydrogen 3.050 N/A LEU 129.A N PHE 124.A O no hydrogen 2.988 N/A VAL 134.A N LEU 107.A O no hydrogen 2.818 N/A VAL 142.A N ASP 139.A OD1 no hydrogen 2.774 N/A ILE 143.A N ASP 139.A O no hydrogen 3.287 N/A LYS 144.A N ALA 140.A O no hydrogen 2.858 N/A LYS 144.A NZ ALA 160.A O no hydrogen 2.625 N/A LYS 144.A NZ ASP 166.A OD1 no hydrogen 3.063 N/A LYS 144.A NZ ASP 166.A OD2 no hydrogen 3.077 N/A THR 145.A N ASP 141.A O no hydrogen 3.055 N/A THR 145.A OG1 ASP 141.A O no hydrogen 2.700 N/A TYR 146.A N VAL 142.A O no hydrogen 3.136 N/A VAL 147.A N ILE 143.A O no hydrogen 2.869 N/A ARG 148.A N LYS 144.A O no hydrogen 2.917 N/A ARG 148.A NE ASP 168.A OD2 no hydrogen 2.759 N/A ARG 148.A NH2 ASP 166.A OD1 no hydrogen 2.879 N/A ARG 148.A NH2 ASP 168.A OD1 no hydrogen 2.966 N/A ARG 148.A NH2 ASP 168.A OD2 no hydrogen 3.533 N/A LEU 149.A N THR 145.A O no hydrogen 3.152 N/A GLY 150.A N VAL 147.A O no hydrogen 3.027 N/A LEU 151.A N TYR 146.A O no hydrogen 3.081 N/A VAL 153.A N PRO 106.A O no hydrogen 2.780 N/A GLY 154.A N VAL 84.A O.A no hydrogen 2.815 N/A GLY 154.A N VAL 84.A O.B no hydrogen 2.806 N/A VAL 155.A N VAL 108.A O no hydrogen 2.847 N/A ILE 156.A N SER 82.A O no hydrogen 3.011 N/A ALA 157.A N TYR 110.A OH no hydrogen 2.892 N/A SER 158.A N ASN 80.A O no hydrogen 2.839 N/A SER 158.A OG.A ASN 80.A O no hydrogen 3.179 N/A SER 158.A OG.A LYS 237.A O no hydrogen 2.792 N/A SER 158.A OG.A LYS 237.A OXT no hydrogen 2.640 N/A SER 158.A OG.B ASN 80.A O no hydrogen 3.187 N/A SER 158.A OG.B SER 82.A OG no hydrogen 2.446 N/A ALA 160.A N ALA 157.A O no hydrogen 3.017 N/A VAL 161.A N.A SER 158.A O no hydrogen 3.233 N/A VAL 161.A N.B SER 158.A O no hydrogen 3.177 N/A ASP 162.A N ASP 166.A OD2 no hydrogen 3.355 N/A VAL 164.A N ASP 162.A OD1 no hydrogen 2.795 N/A SER 165.A N ASP 162.A OD1 no hydrogen 2.958 N/A SER 165.A OG ASP 162.A OD1 no hydrogen 3.327 N/A SER 165.A OG ASP 162.A OD2 no hydrogen 2.931 N/A ASP 166.A N ASP 162.A O no hydrogen 2.865 N/A LEU 169.A N ASP 166.A O no hydrogen 3.239 N/A VAL 170.A N VAL 85.A O no hydrogen 2.732 N/A LYS 171.A NZ SER 158.A O no hydrogen 2.846 N/A LYS 171.A NZ VAL 161.A O.A no hydrogen 2.745 N/A LYS 171.A NZ VAL 161.A O.B no hydrogen 3.192 N/A LEU 172.A N ILE 83.A O no hydrogen 2.647 N/A ASN 175.A N.A ASP 173.A OD1.A no hydrogen 2.637 N/A ASN 175.A N.A ASP 173.A OD2.B no hydrogen 3.400 N/A PHE 178.A N ALA 174.A O.A no hydrogen 3.260 N/A SER 181.A N TRP 79.A O no hydrogen 2.684 N/A THR 182.A OG1 HIS 78.A ND1 no hydrogen 2.746 N/A THR 183.A N TYR 77.A O no hydrogen 2.826 N/A THR 183.A OG1 THR 62.A OG1 no hydrogen 2.947 N/A LYS 184.A N.A ALA 61.A O no hydrogen 2.851 N/A LYS 184.A N.B ALA 61.A O no hydrogen 2.850 N/A LYS 184.A NZ.A GLU 226.A OE2 no hydrogen 3.038 N/A LYS 184.A NZ.B THR 62.A O no hydrogen 2.963 N/A ILE 185.A N LEU 74.A O no hydrogen 2.923 N/A GLY 186.A N ALA 59.A O no hydrogen 2.813 N/A PHE 187.A N VAL 72.A O no hydrogen 3.138 N/A ARG 189.A N ASP 70.A O no hydrogen 2.950 N/A ARG 189.A NE VAL 217.A O no hydrogen 3.634 N/A ARG 189.A NH1 ASP 70.A OD1 no hydrogen 2.246 N/A ARG 189.A NH2 LEU 219.A O no hydrogen 3.363 N/A THR 191.A N ARG 188.A O no hydrogen 2.899 N/A THR 191.A OG1 ARG 188.A O no hydrogen 3.141 N/A SER 195.A OG ASP 4.A OD2 no hydrogen 2.721 N/A TYR 196.A OH SER 7.A O.A no hydrogen 2.759 N/A TYR 196.A OH SER 7.A O.B no hydrogen 3.021 N/A MET 197.A N ARG 194.A O no hydrogen 2.904 N/A TYR 198.A N ARG 194.A O no hydrogen 3.058 N/A TYR 198.A OH ASP 214.A OD1 no hydrogen 2.549 N/A ASP 199.A N SER 195.A O no hydrogen 3.106 N/A PHE 200.A N TYR 196.A O no hydrogen 2.885 N/A ILE 201.A N MET 197.A O no hydrogen 2.950 N/A GLN 202.A N TYR 198.A O no hydrogen 2.984 N/A ARG 203.A N.A ASP 199.A O no hydrogen 2.824 N/A ARG 203.A N.B ASP 199.A O no hydrogen 2.811 N/A ARG 203.A NE.A ASP 199.A OD1 no hydrogen 2.400 N/A ARG 203.A NE.B VAL 24.A O no hydrogen 2.671 N/A ARG 203.A NH2.A ASP 199.A OD2 no hydrogen 3.315 N/A PHE 204.A N PHE 200.A O no hydrogen 3.098 N/A PHE 204.A N ILE 201.A O no hydrogen 3.207 N/A ALA 205.A N ILE 201.A O no hydrogen 2.875 N/A HIS 207.A NE2 PRO 75.A O no hydrogen 2.732 N/A LEU 208.A N.A ALA 205.A O no hydrogen 2.709 N/A LEU 208.A N.B ALA 205.A O no hydrogen 2.733 N/A THR 209.A OG1 ASP 211.A OD1 no hydrogen 2.369 N/A VAL 213.A N THR 209.A O no hydrogen 2.958 N/A ASP 214.A N ARG 210.A O no hydrogen 2.836 N/A THR 215.A N ASP 211.A O no hydrogen 2.997 N/A THR 215.A OG1 ASP 211.A O no hydrogen 2.923 N/A ALA 216.A N VAL 212.A O no hydrogen 2.976 N/A VAL 217.A N VAL 213.A O no hydrogen 2.818 N/A ALA 218.A N ASP 214.A O no hydrogen 3.156 N/A LEU 219.A N THR 215.A O no hydrogen 2.917 N/A SER 221.A OG SER 221.A O no hydrogen 2.585 N/A SER 221.A OG ASP 224.A OD2 no hydrogen 2.785 N/A ASP 224.A N SER 221.A O no hydrogen 2.324 N/A ILE 225.A N SER 221.A O no hydrogen 3.253 N/A GLU 226.A N ASN 222.A O no hydrogen 3.266 N/A PHE 229.A N GLU 226.A O no hydrogen 2.901 N/A LYS 230.A N GLU 226.A O no hydrogen 3.065 N/A LYS 230.A N ALA 227.A O no hydrogen 3.267 N/A LYS 237.A N HIS 78.A O no hydrogen 2.777 N/A