Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2jjr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG ASP 1.A O no hydrogen 3.084 N/A PHE 4.A N HIS 51.A O no hydrogen 2.747 N/A LEU 6.A N THR 53.A O no hydrogen 2.874 N/A ALA 9.A N LEU 6.A O no hydrogen 2.939 N/A THR 10.A N SER 13.A OG no hydrogen 2.976 N/A SER 11.A OG GLY 172.A O no hydrogen 2.458 N/A SER 11.A OG LYS 173.A O no hydrogen 2.969 N/A SER 13.A N THR 10.A OG1 no hydrogen 3.056 N/A SER 13.A OG THR 10.A O no hydrogen 3.275 N/A TYR 14.A N THR 10.A O no hydrogen 2.981 N/A TYR 14.A OH SER 157.A O no hydrogen 2.685 N/A GLY 15.A N SER 11.A O no hydrogen 3.016 N/A VAL 16.A N SER 12.A O no hydrogen 2.815 N/A PHE 17.A N SER 13.A O no hydrogen 3.101 N/A ILE 18.A N TYR 14.A O no hydrogen 3.046 N/A SER 19.A N GLY 15.A O no hydrogen 2.872 N/A ASN 20.A N VAL 16.A O no hydrogen 2.790 N/A LEU 21.A N PHE 17.A O no hydrogen 2.856 N/A ARG 22.A N ILE 18.A O no hydrogen 3.023 N/A ARG 22.A NE ALA 162.A O no hydrogen 2.764 N/A ARG 22.A NH1 GLU 168.A OE1 no hydrogen 3.045 N/A ARG 22.A NH2 ALA 161.A O no hydrogen 2.947 N/A ARG 22.A NH2 GLU 168.A OE1 no hydrogen 2.787 N/A LYS 23.A N SER 19.A O no hydrogen 3.049 N/A ALA 24.A N ASN 20.A O no hydrogen 3.072 N/A ALA 24.A N LEU 21.A O no hydrogen 3.229 N/A LEU 25.A N ARG 22.A O no hydrogen 2.999 N/A ASN 27.A ND2 ARG 29.A O no hydrogen 3.333 N/A LEU 31.A N ILE 34.A O no hydrogen 2.964 N/A ILE 34.A N LEU 31.A O no hydrogen 2.936 N/A LEU 36.A N ARG 29.A O no hydrogen 2.910 N/A LEU 37.A N LEU 240.A O no hydrogen 2.957 N/A GLN 45.A N PRO 42.A O no hydrogen 2.737 N/A ARG 46.A N GLY 43.A O no hydrogen 3.385 N/A ARG 46.A NE TYR 47.A OH no hydrogen 3.154 N/A ARG 46.A NH1 LEU 41.A O no hydrogen 2.973 N/A ARG 46.A NH2 TYR 47.A OH no hydrogen 3.213 N/A ARG 46.A NH2 GLU 90.A OE2 no hydrogen 3.265 N/A ALA 48.A N ILE 64.A O no hydrogen 2.932 N/A ILE 50.A N VAL 62.A O no hydrogen 2.793 N/A HIS 51.A N VAL 2.A O no hydrogen 2.981 N/A LEU 52.A N ILE 60.A O no hydrogen 2.968 N/A THR 53.A N PHE 4.A O no hydrogen 2.957 N/A THR 53.A OG1 THR 59.A OG1 no hydrogen 2.698 N/A ASN 54.A N GLU 58.A O no hydrogen 3.040 N/A ASN 54.A ND2 GLU 58.A OE1 no hydrogen 2.952 N/A ASN 54.A ND2 THR 137.A OG1 no hydrogen 2.973 N/A TYR 55.A N ASP 133.A OD1 no hydrogen 3.418 N/A ALA 56.A N ASN 54.A OD1 no hydrogen 3.007 N/A ASP 57.A N ASN 54.A O no hydrogen 3.134 N/A GLU 58.A N ASN 54.A OD1 no hydrogen 2.918 N/A THR 59.A OG1 THR 53.A OG1 no hydrogen 2.698 N/A ILE 60.A N LEU 52.A O no hydrogen 2.880 N/A SER 61.A N ARG 75.A O no hydrogen 2.921 N/A VAL 62.A N ILE 50.A O no hydrogen 2.642 N/A ALA 63.A N GLY 73.A O no hydrogen 2.852 N/A ILE 64.A N ALA 48.A O no hydrogen 2.893 N/A ASP 65.A N TYR 70.A O no hydrogen 2.930 N/A VAL 66.A N ARG 46.A O no hydrogen 2.835 N/A THR 67.A N ASP 65.A OD1 no hydrogen 2.813 N/A THR 67.A OG1 ASP 65.A OD1 no hydrogen 2.681 N/A ASN 68.A N ASP 65.A O no hydrogen 3.438 N/A VAL 69.A N ASP 65.A O no hydrogen 2.737 N/A TYR 70.A N ASN 68.A OD1 no hydrogen 3.102 N/A MET 72.A N ALA 63.A O no hydrogen 2.799 N/A TYR 74.A N TYR 81.A O no hydrogen 2.792 N/A TYR 74.A OH LEU 139.A O no hydrogen 2.756 N/A ARG 75.A N SER 61.A O no hydrogen 2.688 N/A ARG 75.A NH1 GLY 77.A O no hydrogen 2.774 N/A ALA 76.A N THR 79.A O no hydrogen 2.979 N/A THR 79.A N ALA 76.A O no hydrogen 3.130 N/A SER 80.A N ARG 101.A O no hydrogen 2.921 N/A SER 80.A OG ARG 101.A O no hydrogen 3.518 N/A TYR 81.A N TYR 74.A O no hydrogen 2.736 N/A PHE 82.A N VAL 103.A O no hydrogen 3.086 N/A PHE 83.A N MET 72.A O no hydrogen 3.233 N/A ASN 84.A N TYR 107.A O no hydrogen 2.859 N/A GLU 85.A N PHE 83.A O no hydrogen 2.980 N/A ALA 88.A N GLU 85.A O no hydrogen 2.986 N/A THR 89.A N GLU 85.A O no hydrogen 3.158 N/A THR 89.A OG1 GLU 85.A O no hydrogen 3.566 N/A GLU 90.A N ALA 86.A O no hydrogen 3.185 N/A ALA 91.A N SER 87.A O no hydrogen 2.978 N/A ALA 92.A N ALA 88.A O no hydrogen 2.988 N/A LYS 93.A N GLU 90.A O no hydrogen 3.278 N/A TYR 94.A N ALA 91.A O no hydrogen 2.825 N/A VAL 95.A N ALA 91.A O no hydrogen 3.019 N/A ALA 99.A N PHE 96.A O no hydrogen 3.071 N/A MET 100.A N ASP 78.A OD1 no hydrogen 3.036 N/A ARG 101.A N ASP 78.A O no hydrogen 3.113 N/A ARG 101.A NE THR 79.A OG1 no hydrogen 3.167 N/A ARG 101.A NH2 THR 79.A OG1 no hydrogen 3.252 N/A LYS 102.A NZ LYS 97.A O no hydrogen 3.354 N/A LYS 102.A NZ ALA 99.A O no hydrogen 3.357 N/A VAL 103.A N SER 80.A O no hydrogen 2.884 N/A LEU 105.A N PHE 82.A O no hydrogen 2.755 N/A GLY 109.A N GLU 85.A OE1 no hydrogen 2.805 N/A TYR 111.A OH GLU 160.A OE2 no hydrogen 2.488 N/A ARG 113.A N ASN 110.A OD1 no hydrogen 3.125 N/A LEU 114.A N ASN 110.A O no hydrogen 3.053 N/A GLN 115.A N TYR 111.A O no hydrogen 2.773 N/A THR 116.A N GLU 112.A O no hydrogen 3.156 N/A THR 116.A OG1 GLU 112.A O no hydrogen 2.852 N/A THR 116.A OG1 GLU 112.A OE2 no hydrogen 3.355 N/A ALA 117.A N ARG 113.A O no hydrogen 2.794 N/A ALA 118.A N LEU 114.A O no hydrogen 2.805 N/A LYS 120.A N GLN 115.A O no hydrogen 3.147 N/A ARG 122.A N GLN 115.A OE1 no hydrogen 2.919 N/A ARG 122.A NE GLN 115.A OE1 no hydrogen 3.253 N/A ARG 122.A NH1 GLU 189.A OE1 no hydrogen 2.689 N/A ARG 122.A NH1 ASN 190.A OD1 no hydrogen 3.133 N/A ARG 122.A NH2 ASN 190.A OD1 no hydrogen 3.006 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.819 N/A ASN 124.A N ILE 121.A O no hydrogen 2.949 N/A ILE 125.A N ARG 122.A O no hydrogen 2.980 N/A LEU 127.A N PHE 179.A O no hydrogen 2.913 N/A LEU 132.A N GLY 128.A O no hydrogen 3.035 N/A ASP 133.A N LEU 129.A O no hydrogen 2.942 N/A SER 134.A N PRO 130.A O no hydrogen 3.129 N/A SER 134.A OG PRO 130.A O no hydrogen 3.381 N/A SER 134.A OG ALA 131.A O no hydrogen 3.225 N/A ALA 135.A N ALA 131.A O no hydrogen 2.999 N/A ILE 136.A N LEU 132.A O no hydrogen 2.962 N/A THR 137.A N ASP 133.A O no hydrogen 3.106 N/A THR 137.A OG1 ASP 133.A O no hydrogen 3.048 N/A THR 138.A N SER 134.A O no hydrogen 2.853 N/A THR 138.A OG1 SER 134.A O no hydrogen 2.900 N/A LEU 139.A N ALA 135.A O no hydrogen 2.916 N/A PHE 140.A N ILE 136.A O no hydrogen 2.708 N/A TYR 141.A N THR 137.A O no hydrogen 3.008 N/A TYR 141.A OH GLU 58.A OE2 no hydrogen 2.937 N/A TYR 142.A N LEU 139.A O no hydrogen 3.032 N/A ASN 143.A N THR 138.A O no hydrogen 3.173 N/A SER 146.A N ASN 143.A O no hydrogen 2.805 N/A SER 146.A OG ASN 143.A O no hydrogen 2.530 N/A ALA 150.A N SER 146.A O no hydrogen 3.319 N/A LEU 151.A N ALA 147.A O no hydrogen 2.826 N/A MET 152.A N ALA 148.A O no hydrogen 3.060 N/A VAL 153.A N SER 149.A O no hydrogen 3.112 N/A LEU 154.A N ALA 150.A O no hydrogen 2.928 N/A ILE 155.A N LEU 151.A O no hydrogen 2.729 N/A GLN 156.A N MET 152.A O no hydrogen 3.063 N/A GLN 156.A NE2 MET 152.A O no hydrogen 3.079 N/A SER 157.A N VAL 153.A O no hydrogen 2.916 N/A SER 157.A N LEU 154.A O no hydrogen 3.128 N/A SER 157.A OG VAL 153.A O no hydrogen 2.546 N/A THR 158.A N ILE 155.A O no hydrogen 3.318 N/A THR 158.A OG1 LEU 154.A O no hydrogen 2.745 N/A THR 158.A OG1 ILE 155.A O no hydrogen 3.524 N/A SER 159.A N THR 158.A OG1 no hydrogen 2.728 N/A SER 159.A OG VAL 69.A O no hydrogen 2.514 N/A GLU 160.A N ILE 155.A O no hydrogen 3.135 N/A ALA 161.A N GLN 156.A O no hydrogen 3.231 N/A ALA 162.A N THR 158.A O no hydrogen 2.989 N/A ARG 163.A N SER 159.A O no hydrogen 3.086 N/A ARG 163.A NH1 GLU 160.A OE1 no hydrogen 2.939 N/A ARG 163.A NH2 ASN 68.A O no hydrogen 2.798 N/A TYR 164.A N GLU 160.A O no hydrogen 3.000 N/A TYR 164.A OH LEU 188.A O no hydrogen 2.637 N/A LYS 165.A N ASP 236.A O no hydrogen 2.923 N/A PHE 166.A N ASP 236.A OD1 no hydrogen 2.968 N/A GLU 168.A N TYR 164.A O no hydrogen 3.171 N/A GLN 169.A N LYS 165.A O no hydrogen 2.782 N/A GLN 170.A N PHE 166.A O no hydrogen 2.903 N/A ILE 171.A N ILE 167.A O no hydrogen 2.935 N/A GLY 172.A N GLU 168.A O no hydrogen 2.941 N/A LYS 177.A N ARG 174.A O no hydrogen 3.153 N/A PHE 179.A N LEU 127.A O no hydrogen 2.948 N/A ILE 185.A N SER 182.A OG no hydrogen 3.175 N/A ILE 186.A N SER 182.A O no hydrogen 3.030 N/A SER 187.A N LEU 183.A O no hydrogen 2.877 N/A SER 187.A OG ALA 184.A O no hydrogen 3.426 N/A LEU 188.A N ALA 184.A O no hydrogen 3.074 N/A GLU 189.A N ILE 185.A O no hydrogen 3.061 N/A ASN 190.A N ILE 186.A O no hydrogen 2.826 N/A SER 191.A N SER 187.A O no hydrogen 2.974 N/A SER 191.A N LEU 188.A O no hydrogen 3.262 N/A SER 191.A OG SER 187.A O no hydrogen 2.810 N/A TRP 192.A NE1 LEU 239.A O no hydrogen 2.944 N/A LEU 195.A N SER 191.A O no hydrogen 2.904 N/A SER 196.A N TRP 192.A O no hydrogen 2.913 N/A SER 196.A OG TRP 192.A O no hydrogen 2.814 N/A LYS 197.A N SER 193.A O no hydrogen 2.924 N/A GLN 198.A N ALA 194.A O no hydrogen 2.999 N/A ILE 199.A N LEU 195.A O no hydrogen 2.911 N/A GLN 200.A N SER 196.A O no hydrogen 3.160 N/A GLN 200.A NE2 SER 196.A O no hydrogen 3.058 N/A GLN 200.A NE2 LEU 241.A O no hydrogen 2.784 N/A ILE 201.A N LYS 197.A O no hydrogen 3.056 N/A ALA 202.A N GLN 198.A O no hydrogen 2.766 N/A SER 203.A N ILE 199.A O no hydrogen 3.247 N/A SER 203.A OG GLN 200.A O no hydrogen 2.515 N/A THR 204.A N ILE 201.A O no hydrogen 2.948 N/A THR 204.A OG1 ILE 201.A O no hydrogen 2.790 N/A ASN 205.A N ALA 202.A O no hydrogen 3.116 N/A ASN 205.A ND2 GLN 208.A O no hydrogen 2.934 N/A GLY 207.A N ALA 202.A O no hydrogen 2.754 N/A GLN 208.A N ASN 205.A O no hydrogen 3.109 N/A PHE 209.A N THR 226.A O no hydrogen 2.777 N/A GLU 210.A N GLN 198.A OE1 no hydrogen 2.742 N/A SER 211.A N GLN 198.A OE1 no hydrogen 3.035 N/A VAL 213.A N ILE 225.A O no hydrogen 2.882 N/A LEU 215.A N VAL 223.A O no hydrogen 2.918 N/A ILE 216.A N SER 187.A OG no hydrogen 2.975 N/A ASN 217.A N GLN 221.A O no hydrogen 2.923 N/A ASN 217.A ND2 GLN 221.A OE1 no hydrogen 2.944 N/A GLN 219.A N ASN 217.A OD1 no hydrogen 3.043 N/A ASN 220.A N ASN 217.A O no hydrogen 2.883 N/A GLN 221.A N ASN 217.A OD1 no hydrogen 2.733 N/A VAL 223.A N LEU 215.A O no hydrogen 2.836 N/A ILE 225.A N VAL 213.A O no hydrogen 2.753 N/A ASN 227.A ND2 THR 226.A OG1 no hydrogen 3.396 N/A VAL 228.A N GLY 207.A O no hydrogen 3.038 N/A ASP 229.A N ASN 227.A OD1 no hydrogen 3.034 N/A ALA 230.A N ASN 227.A OD1 no hydrogen 2.865 N/A LYS 232.A N ASP 229.A O no hydrogen 2.969 N/A VAL 233.A N ALA 230.A O no hydrogen 3.255 N/A THR 234.A OG1 VAL 228.A O no hydrogen 2.886 N/A SER 235.A N LYS 232.A O no hydrogen 3.088 N/A SER 235.A OG LYS 232.A O no hydrogen 3.228 N/A ASP 236.A N VAL 233.A O no hydrogen 3.088 N/A ILE 237.A N VAL 233.A O no hydrogen 3.083 N/A ALA 238.A N ARG 163.A O no hydrogen 2.684 N/A LEU 240.A N PRO 35.A O no hydrogen 2.861 N/A LEU 241.A N SER 196.A OG no hydrogen 2.915 N/A ASN 242.A ND2 LEU 37.A O no hydrogen 3.019 N/A ARG 243.A N GLN 200.A OE1 no hydrogen 3.000 N/A ASN 244.A N ASN 242.A OD1 no hydrogen 2.948 N/A ASN 245.A N ASN 242.A O no hydrogen 2.809 N/A ASN 245.A ND2 THR 67.A O no hydrogen 3.448 N/A ASN 245.A ND2 THR 67.A OG1 no hydrogen 3.079 N/A