Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3jqa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N ASP 86.A OD1 no hydrogen 2.875 N/A ALA 5.A N ARG 28.A O no hydrogen 2.841 N/A VAL 6.A N VAL 87.A O no hydrogen 2.794 N/A VAL 7.A N VAL 30.A O no hydrogen 3.096 N/A THR 8.A N VAL 89.A O no hydrogen 3.034 N/A THR 8.A OG1 VAL 89.A O no hydrogen 3.384 N/A GLY 9.A N HIS 32.A ND1 no hydrogen 2.946 N/A ALA 10.A N HIS 32.A O no hydrogen 2.924 N/A ARG 13.A NH1 LEU 188.A O no hydrogen 3.012 N/A ARG 13.A NH2 LEU 187.A O no hydrogen 2.864 N/A ARG 16.A N LYS 12.A O no hydrogen 3.239 N/A ARG 16.A NH2 GLU 46.A OE2 no hydrogen 3.315 N/A ALA 17.A N ARG 13.A O no hydrogen 3.272 N/A ILE 18.A N ILE 14.A O no hydrogen 2.985 N/A ALA 19.A N GLY 15.A O no hydrogen 2.908 N/A VAL 20.A N ARG 16.A O no hydrogen 2.915 N/A LYS 21.A N ALA 17.A O no hydrogen 3.023 N/A LYS 21.A NZ ASP 218.A OD1 no hydrogen 3.195 N/A LEU 22.A N ILE 18.A O no hydrogen 2.968 N/A HIS 23.A N ALA 19.A O no hydrogen 2.959 N/A HIS 23.A NE2 THR 54.A OG1 no hydrogen 2.830 N/A GLN 24.A N VAL 20.A O no hydrogen 2.858 N/A THR 25.A N LYS 21.A O no hydrogen 2.964 N/A THR 25.A OG1 LYS 21.A O no hydrogen 2.801 N/A GLY 26.A N HIS 23.A O no hydrogen 2.996 N/A TYR 27.A N LEU 22.A O no hydrogen 3.091 N/A ARG 28.A N PRO 3.A O no hydrogen 2.904 N/A ARG 28.A NE ALA 2.A O no hydrogen 3.392 N/A ARG 28.A NH2 ALA 2.A O no hydrogen 2.860 N/A VAL 29.A N THR 54.A O no hydrogen 2.871 N/A VAL 30.A N ALA 5.A O no hydrogen 2.883 N/A ILE 31.A N VAL 56.A O no hydrogen 2.815 N/A HIS 32.A N VAL 7.A O no hydrogen 3.107 N/A HIS 32.A NE2 ALA 59.A O no hydrogen 2.841 N/A ALA 37.A N ASN 35.A O no hydrogen 3.130 N/A ALA 40.A N SER 36.A O no hydrogen 3.015 N/A VAL 41.A N ALA 37.A O no hydrogen 2.937 N/A SER 42.A N GLU 38.A O no hydrogen 3.031 N/A SER 42.A OG.A GLU 38.A O no hydrogen 3.544 N/A SER 42.A OG.A ALA 39.A O no hydrogen 3.198 N/A LEU 43.A N ALA 39.A O no hydrogen 3.077 N/A ALA 44.A N ALA 40.A O no hydrogen 3.034 N/A ASP 45.A N VAL 41.A O no hydrogen 2.891 N/A GLU 46.A N SER 42.A O no hydrogen 3.118 N/A LEU 47.A N LEU 43.A O no hydrogen 2.951 N/A ASN 48.A N ALA 44.A O no hydrogen 2.864 N/A ASN 48.A ND2 ALA 55.A O no hydrogen 2.979 N/A LYS 49.A N ASP 45.A O no hydrogen 3.046 N/A ARG 51.A N LEU 47.A O no hydrogen 3.053 N/A ARG 51.A NH1 HIS 23.A O no hydrogen 2.853 N/A ARG 51.A NH2 HIS 23.A O no hydrogen 3.035 N/A THR 54.A N ASN 48.A OD1 no hydrogen 2.938 N/A THR 54.A OG1 HIS 23.A NE2 no hydrogen 2.830 N/A THR 54.A OG1 ARG 51.A O no hydrogen 2.608 N/A ALA 55.A N ASN 48.A OD1 no hydrogen 2.954 N/A VAL 56.A N VAL 29.A O no hydrogen 3.120 N/A GLN 58.A NE2 HIS 34.A O no hydrogen 3.121 N/A ALA 59.A N TYR 33.A O no hydrogen 3.025 N/A THR 62.A N ASP 60.A OD1 no hydrogen 3.061 N/A THR 62.A OG1 ASP 60.A OD1 no hydrogen 2.545 N/A THR 62.A OG1 ASP 60.A OD2 no hydrogen 3.493 N/A ASN 63.A N ALA 110.A O no hydrogen 2.938 N/A VAL 66.A N SER 64.A OG no hydrogen 3.039 N/A LEU 67.A N SER 64.A O no hydrogen 3.322 N/A SER 70.A N VAL 66.A O no hydrogen 3.023 N/A SER 70.A OG VAL 66.A O no hydrogen 3.294 N/A CYS 71.A N LEU 67.A O no hydrogen 2.932 N/A CYS 71.A SG LEU 67.A O no hydrogen 3.456 N/A CYS 71.A SG ALA 119.A O no hydrogen 3.912 N/A GLU 72.A N PRO 68.A O no hydrogen 3.024 N/A GLU 73.A N ALA 69.A O no hydrogen 2.990 N/A ILE 74.A N SER 70.A O no hydrogen 3.100 N/A ILE 75.A N CYS 71.A O no hydrogen 3.290 N/A ASN 76.A N GLU 72.A O no hydrogen 2.942 N/A SER 77.A N GLU 73.A O no hydrogen 2.908 N/A SER 77.A N ILE 74.A O no hydrogen 3.251 N/A SER 77.A OG.A ILE 74.A O no hydrogen 2.625 N/A SER 77.A OG.B GLU 73.A O no hydrogen 2.902 N/A CYS 78.A N ILE 74.A O no hydrogen 3.430 N/A CYS 78.A SG ARG 84.A O no hydrogen 3.388 N/A PHE 79.A N ILE 75.A O no hydrogen 3.289 N/A ARG 80.A N ASN 76.A O no hydrogen 2.925 N/A ARG 80.A NH2 GLU 73.A OE1 no hydrogen 3.439 N/A ALA 81.A N SER 77.A O no hydrogen 3.017 N/A PHE 82.A N CYS 78.A O no hydrogen 2.883 N/A GLY 83.A N PHE 79.A O no hydrogen 2.766 N/A ARG 84.A NE ASP 86.A OD1 no hydrogen 2.911 N/A ARG 84.A NE ASP 86.A OD2 no hydrogen 3.458 N/A ARG 84.A NH2 ASP 86.A OD2 no hydrogen 2.969 N/A CYS 85.A SG VAL 87.A O no hydrogen 3.985 N/A ASP 86.A N ALA 4.A O no hydrogen 2.873 N/A VAL 87.A N ALA 4.A O no hydrogen 3.093 N/A LEU 88.A N SER 134.A O no hydrogen 3.173 N/A VAL 89.A N VAL 6.A O no hydrogen 2.820 N/A ASN 90.A N VAL 136.A O no hydrogen 2.952 N/A ASN 90.A ND2 ASN 137.A OD1 no hydrogen 2.735 N/A ASN 91.A N THR 8.A OG1 no hydrogen 2.875 N/A ASN 91.A ND2 THR 8.A O no hydrogen 3.150 N/A ALA 92.A N THR 8.A OG1 no hydrogen 3.051 N/A SER 93.A OG ALA 94.A O no hydrogen 3.401 N/A SER 93.A OG ASN 116.A OD1 no hydrogen 2.812 N/A ALA 94.A N THR 115.A OG1 no hydrogen 2.968 N/A TYR 96.A OH GLU 111.A OE1 no hydrogen 2.633 N/A THR 98.A N ALA 149.A O no hydrogen 2.724 N/A LYS 103.A NZ GLU 111.A OE1 no hydrogen 2.748 N/A THR 104.A OG1 THR 107.A OG1 no hydrogen 2.861 N/A GLU 106.A N GLU 106.A OE1 no hydrogen 3.011 N/A THR 107.A N THR 104.A OG1 no hydrogen 3.297 N/A THR 107.A OG1 THR 104.A OG1 no hydrogen 2.861 N/A GLN 108.A N THR 104.A O no hydrogen 3.057 N/A VAL 109.A N VAL 105.A O no hydrogen 2.880 N/A ALA 110.A N GLU 106.A O no hydrogen 3.027 N/A GLU 111.A N THR 107.A O no hydrogen 2.985 N/A LEU 112.A N GLN 108.A O no hydrogen 2.940 N/A ILE 113.A N VAL 109.A O no hydrogen 2.913 N/A GLY 114.A N ALA 110.A O no hydrogen 2.922 N/A THR 115.A N GLU 111.A O no hydrogen 2.972 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.764 N/A ASN 116.A N LEU 112.A O no hydrogen 3.302 N/A ASN 116.A ND2 ALA 94.A O no hydrogen 3.114 N/A ASN 116.A ND2 LEU 112.A O no hydrogen 2.953 N/A ALA 117.A N ILE 113.A O no hydrogen 3.024 N/A ILE 118.A N ILE 113.A O no hydrogen 3.021 N/A ALA 119.A N GLY 114.A O no hydrogen 2.786 N/A PHE 121.A N ALA 117.A O no hydrogen 3.136 N/A LEU 122.A N ILE 118.A O no hydrogen 2.980 N/A LEU 123.A N ALA 119.A O no hydrogen 2.802 N/A THR 124.A N PRO 120.A O no hydrogen 2.959 N/A THR 124.A OG1 PRO 120.A O no hydrogen 2.639 N/A MET 125.A N PHE 121.A O no hydrogen 2.977 N/A SER 126.A N LEU 122.A O no hydrogen 3.007 N/A SER 126.A OG LEU 122.A O no hydrogen 3.466 N/A PHE 127.A N LEU 123.A O no hydrogen 2.839 N/A ALA 128.A N THR 124.A O no hydrogen 2.968 N/A GLN 129.A N MET 125.A O no hydrogen 2.964 N/A ARG 130.A N SER 126.A O no hydrogen 3.188 N/A ARG 130.A NE ASN 76.A OD1 no hydrogen 2.859 N/A ARG 130.A NH2 ASN 76.A OD1 no hydrogen 3.006 N/A GLN 131.A N ALA 128.A O no hydrogen 3.240 N/A GLN 131.A NE2 CYS 85.A O no hydrogen 2.957 N/A GLN 131.A NE2 PHE 127.A O no hydrogen 3.198 N/A SER 134.A N ASP 86.A O no hydrogen 3.047 N/A ILE 135.A N ARG 177.A O no hydrogen 2.831 N/A VAL 136.A N LEU 88.A O no hydrogen 2.876 N/A ASN 137.A N ASN 179.A O no hydrogen 2.915 N/A ASN 137.A ND2 THR 164.A OG1 no hydrogen 2.841 N/A LEU 138.A N ASN 90.A O no hydrogen 3.011 N/A CYS 139.A N VAL 181.A O no hydrogen 2.811 N/A CYS 139.A SG ASN 137.A O no hydrogen 3.734 N/A ALA 141.A N PRO 183.A O no hydrogen 2.803 N/A MET 142.A N ASP 140.A OD1 no hydrogen 2.904 N/A VAL 143.A N ASP 140.A O no hydrogen 3.266 N/A GLN 145.A N MET 142.A O no hydrogen 2.990 N/A PHE 150.A N CYS 147.A O no hydrogen 3.363 N/A SER 151.A OG.A THR 98.A O no hydrogen 3.452 N/A LEU 152.A N THR 98.A OG1 no hydrogen 3.340 N/A TYR 153.A OH ASP 140.A OD2 no hydrogen 2.799 N/A ASN 154.A N PHE 150.A O no hydrogen 2.969 N/A ASN 154.A ND2 VAL 143.A O no hydrogen 2.988 N/A MET 155.A N SER 151.A O no hydrogen 2.868 N/A GLY 156.A N LEU 152.A O no hydrogen 2.958 N/A LYS 157.A N TYR 153.A O no hydrogen 2.966 N/A LYS 157.A NZ ASN 116.A OD1 no hydrogen 3.034 N/A LYS 157.A NZ LEU 138.A O no hydrogen 2.798 N/A HIS 158.A N ASN 154.A O no hydrogen 2.916 N/A HIS 158.A NE2 VAL 143.A O no hydrogen 3.100 N/A ALA 159.A N MET 155.A O no hydrogen 2.968 N/A LEU 160.A N GLY 156.A O no hydrogen 2.983 N/A VAL 161.A N LYS 157.A O no hydrogen 3.160 N/A GLY 162.A N HIS 158.A O no hydrogen 3.137 N/A LEU 163.A N ALA 159.A O no hydrogen 2.872 N/A THR 164.A N LEU 160.A O no hydrogen 2.971 N/A THR 164.A OG1 LEU 160.A O no hydrogen 2.878 N/A GLN 165.A N VAL 161.A O no hydrogen 3.105 N/A SER 166.A N GLY 162.A O no hydrogen 2.861 N/A SER 166.A OG GLY 162.A O no hydrogen 3.447 N/A ALA 167.A N LEU 163.A O no hydrogen 2.746 N/A ALA 168.A N THR 164.A O no hydrogen 2.966 N/A LEU 169.A N GLN 165.A O no hydrogen 3.112 N/A GLU 170.A N SER 166.A O no hydrogen 3.071 N/A LEU 171.A N ALA 167.A O no hydrogen 2.897 N/A ALA 172.A N ALA 168.A O no hydrogen 3.246 N/A TYR 174.A N LEU 171.A O no hydrogen 2.957 N/A GLY 175.A N ALA 172.A O no hydrogen 3.050 N/A ILE 176.A N LEU 171.A O no hydrogen 3.230 N/A ARG 177.A N LEU 133.A O no hydrogen 3.112 N/A ARG 177.A NH1 LEU 223.A O no hydrogen 2.978 N/A ARG 177.A NH1 ILE 231.A O no hydrogen 3.159 N/A ARG 177.A NH2 ASN 132.A OD1 no hydrogen 3.062 N/A ARG 177.A NH2 LEU 223.A O no hydrogen 2.876 N/A VAL 178.A N THR 232.A OG1 no hydrogen 2.961 N/A ASN 179.A N ILE 135.A O no hydrogen 3.011 N/A ASN 179.A ND2 ILE 231.A O no hydrogen 2.972 N/A GLY 180.A N SER 234.A O no hydrogen 2.879 N/A VAL 181.A N ASN 137.A O no hydrogen 2.980 N/A ALA 182.A N ILE 236.A O no hydrogen 2.831 N/A SER 186.A OG ALA 211.A O no hydrogen 2.863 N/A MET 192.A N PRO 189.A O no hydrogen 3.315 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.910 N/A LYS 197.A N GLY 193.A O no hydrogen 2.964 N/A LYS 197.A NZ MET 192.A O no hydrogen 2.757 N/A LYS 197.A NZ GLU 194.A OE1 no hydrogen 3.196 N/A ASP 198.A N GLU 194.A O no hydrogen 2.785 N/A LYS 199.A N GLU 196.A O no hydrogen 3.206 N/A ARG 201.A N LYS 197.A O no hydrogen 2.970 N/A ARG 201.A NE GLU 210.A OE1 no hydrogen 3.388 N/A ARG 201.A NE GLU 210.A OE2 no hydrogen 2.847 N/A ARG 201.A NH1 GLU 194.A OE2 no hydrogen 2.833 N/A ARG 201.A NH1 ASP 198.A OD1 no hydrogen 3.077 N/A ARG 201.A NH2 GLU 210.A OE1 no hydrogen 3.170 N/A ARG 202.A N ASP 198.A O no hydrogen 2.985 N/A LYS 203.A N TRP 200.A O no hydrogen 2.996 N/A VAL 204.A N ARG 201.A O no hydrogen 3.094 N/A LEU 206.A N GLY 240.A O no hydrogen 3.100 N/A GLY 207.A N PRO 205.A O no hydrogen 3.070 N/A ARG 208.A N VAL 204.A O no hydrogen 2.998 N/A ARG 208.A NE ARG 202.A O no hydrogen 3.049 N/A ARG 208.A NH2 ARG 202.A O no hydrogen 3.479 N/A GLU 210.A N GLU 210.A OE2 no hydrogen 2.671 N/A ALA 211.A N VAL 185.A O no hydrogen 2.914 N/A SER 212.A N GLN 215.A OE1 no hydrogen 3.021 N/A GLU 214.A N GLU 214.A OE1 no hydrogen 2.838 N/A GLN 215.A N SER 212.A OG no hydrogen 3.112 N/A ILE 216.A N SER 212.A O no hydrogen 3.417 N/A ALA 217.A N ALA 213.A O no hydrogen 2.876 N/A ASP 218.A N GLU 214.A O no hydrogen 2.825 N/A ALA 219.A N ILE 216.A O no hydrogen 3.227 N/A VAL 220.A N ILE 216.A O no hydrogen 3.382 N/A ILE 221.A N ALA 217.A O no hydrogen 2.921 N/A PHE 222.A N ASP 218.A O no hydrogen 3.096 N/A LEU 223.A N ALA 219.A O no hydrogen 3.095 N/A VAL 224.A N VAL 220.A O no hydrogen 3.075 N/A SER 225.A N PHE 222.A O no hydrogen 3.113 N/A SER 225.A OG PHE 222.A O no hydrogen 2.657 N/A SER 227.A N SER 225.A OG no hydrogen 3.218 N/A ALA 228.A N SER 225.A O no hydrogen 3.266 N/A GLN 229.A NE2 GLY 226.A O no hydrogen 3.626 N/A ILE 231.A N ALA 228.A O no hydrogen 2.930 N/A THR 232.A OG1 VAL 178.A O no hydrogen 3.487 N/A GLY 233.A N VAL 178.A O no hydrogen 2.726 N/A SER 234.A N ASN 179.A OD1 no hydrogen 2.973 N/A ILE 236.A N GLY 180.A O no hydrogen 2.865 N/A LYS 237.A NZ SER 243.A OG no hydrogen 2.973 N/A VAL 238.A N ALA 182.A O no hydrogen 2.939 N/A GLY 241.A N ASP 239.A OD1 no hydrogen 2.931 N/A LEU 242.A N ASP 239.A O no hydrogen 3.093 N/A SER 243.A N ASP 239.A OD2 no hydrogen 3.058 N/A SER 243.A OG ASP 239.A OD2 no hydrogen 2.690 N/A LEU 244.A N GLY 241.A O no hydrogen 3.000 N/A VAL 245.A N LEU 242.A O no hydrogen 3.151 N/A HIS 246.A ND1 ALA 247.A OXT no hydrogen 2.887 N/A