Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jjt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N THR 15.A O no hydrogen 2.967 N/A ASP 6.A N THR 13.A O no hydrogen 3.099 N/A ASP 8.A N VAL 11.A O no hydrogen 3.079 N/A ARG 10.A NE ASP 47.A OD2 no hydrogen 2.522 N/A ARG 10.A NH2 ASP 44.A O no hydrogen 3.128 N/A ARG 10.A NH2 ASP 47.A OD1 no hydrogen 3.016 N/A ARG 10.A NH2 ASP 47.A OD2 no hydrogen 3.367 N/A VAL 11.A N ASP 8.A O no hydrogen 3.169 N/A ARG 12.A N VAL 48.A O no hydrogen 2.942 N/A ARG 12.A NE THR 7.A OG1 no hydrogen 2.894 N/A ARG 12.A NH2 THR 7.A OG1 no hydrogen 3.149 N/A ARG 12.A NH2 ASP 43.A OD2 no hydrogen 3.518 N/A THR 13.A N ASP 6.A O no hydrogen 2.896 N/A LEU 14.A N ILE 50.A O no hydrogen 2.654 N/A THR 15.A N LEU 4.A O no hydrogen 2.960 N/A LEU 16.A N THR 52.A O no hydrogen 2.982 N/A ASN 17.A N ILE 2.A O no hydrogen 2.857 N/A ASN 17.A ND2 ASP 1.A O no hydrogen 2.920 N/A ARG 18.A N ASN 23.A OD1 no hydrogen 2.842 N/A ARG 18.A NH1 ALA 24.A O no hydrogen 2.924 N/A ARG 18.A NH1 ASP 63.A OD2 no hydrogen 2.913 N/A SER 21.A N ARG 18.A O no hydrogen 2.938 N/A ARG 22.A N PRO 19.A O no hydrogen 3.091 N/A ASN 23.A N ARG 18.A O no hydrogen 2.726 N/A ASN 23.A ND2 ALA 54.A O no hydrogen 3.038 N/A ASN 23.A ND2 VAL 57.A O no hydrogen 2.649 N/A ASN 23.A ND2 PHE 58.A O no hydrogen 3.096 N/A ALA 24.A N SER 21.A O no hydrogen 3.038 N/A LEU 25.A N GLY 61.A O no hydrogen 2.573 N/A ALA 27.A N GLU 66.A OE1 no hydrogen 2.456 N/A ARG 30.A N SER 26.A O no hydrogen 2.929 N/A ARG 30.A NH1 LEU 25.A O no hydrogen 2.888 N/A ASP 31.A N ALA 27.A O no hydrogen 3.213 N/A ARG 32.A N ALA 28.A O no hydrogen 3.250 N/A PHE 33.A N LEU 29.A O no hydrogen 2.926 N/A PHE 34.A N ARG 30.A O no hydrogen 3.216 N/A ALA 35.A N ASP 31.A O no hydrogen 3.238 N/A ALA 36.A N ARG 32.A O no hydrogen 2.862 N/A LEU 37.A N PHE 33.A O no hydrogen 3.062 N/A ASP 39.A N ALA 35.A O no hydrogen 3.139 N/A ALA 40.A N ALA 36.A O no hydrogen 3.091 N/A GLU 41.A N LEU 37.A O no hydrogen 3.023 N/A ALA 42.A N ALA 38.A O no hydrogen 2.990 N/A ASP 45.A N ASP 43.A OD1 no hydrogen 3.134 N/A ILE 46.A N ASP 43.A O no hydrogen 3.157 N/A ASP 47.A N ARG 10.A O no hydrogen 3.016 N/A VAL 49.A N PRO 81.A O no hydrogen 2.945 N/A ILE 50.A N ARG 12.A O no hydrogen 2.783 N/A LEU 51.A N ILE 83.A O no hydrogen 2.690 N/A THR 52.A N LEU 14.A O no hydrogen 3.005 N/A THR 52.A OG1 ALA 85.A O no hydrogen 2.885 N/A THR 52.A OG1 ASN 87.A OD1 no hydrogen 3.464 N/A GLY 53.A N ASN 87.A OD1 no hydrogen 3.015 N/A ALA 54.A N LEU 16.A O no hydrogen 2.984 N/A CYS 59.A N ALA 89.A O no hydrogen 2.942 N/A CYS 59.A SG ASN 23.A O no hydrogen 3.247 N/A CYS 59.A SG GLY 61.A O no hydrogen 4.023 N/A ALA 60.A N ARG 22.A O no hydrogen 3.061 N/A ASP 63.A N LEU 25.A O no hydrogen 3.080 N/A LEU 69.A N ASP 222.A OD1 no hydrogen 3.463 N/A ARG 75.A NH1 ASP 31.A OD1 no hydrogen 3.178 N/A ARG 75.A NH2 ASP 31.A OD1 no hydrogen 3.075 N/A THR 79.A N GLU 41.A OE1 no hydrogen 2.914 N/A THR 79.A OG1 GLU 41.A OE2 no hydrogen 2.700 N/A LYS 80.A NZ ALA 40.A O no hydrogen 2.642 N/A LYS 80.A NZ GLU 41.A O no hydrogen 3.512 N/A LYS 80.A NZ ILE 46.A O no hydrogen 2.941 N/A VAL 82.A N ASP 102.A OD2 no hydrogen 2.727 N/A ILE 83.A N VAL 49.A O no hydrogen 2.650 N/A GLY 84.A N ILE 103.A O no hydrogen 2.779 N/A ALA 85.A N LEU 51.A O no hydrogen 2.777 N/A ILE 86.A N ILE 105.A O no hydrogen 2.921 N/A ASN 87.A ND2 ASP 55.A OD1 no hydrogen 2.995 N/A ALA 90.A N ARG 111.A O no hydrogen 2.789 N/A VAL 91.A N CYS 59.A O no hydrogen 2.845 N/A THR 92.A N ALA 113.A O no hydrogen 2.887 N/A THR 92.A OG1 THR 115.A OG1 no hydrogen 2.632 N/A GLY 94.A N VAL 91.A O no hydrogen 2.992 N/A GLU 96.A N THR 92.A O no hydrogen 3.066 N/A LEU 97.A N GLY 93.A O no hydrogen 3.016 N/A ALA 98.A N GLY 94.A O no hydrogen 3.218 N/A LEU 99.A N LEU 95.A O no hydrogen 3.134 N/A TYR 100.A N GLU 96.A O no hydrogen 3.181 N/A TYR 100.A N LEU 97.A O no hydrogen 3.264 N/A CYS 101.A N ALA 98.A O no hydrogen 3.071 N/A CYS 101.A SG LEU 97.A O no hydrogen 3.654 N/A ASP 102.A N VAL 82.A O no hydrogen 3.036 N/A ILE 103.A N VAL 82.A O no hydrogen 3.433 N/A ILE 105.A N GLY 84.A O no hydrogen 2.892 N/A ALA 106.A N GLU 162.A O no hydrogen 2.898 N/A SER 107.A N ILE 86.A O no hydrogen 2.853 N/A SER 107.A OG HIS 166.A ND1 no hydrogen 2.822 N/A HIS 109.A N SER 107.A OG no hydrogen 3.087 N/A ALA 110.A N SER 107.A O no hydrogen 3.066 N/A ARG 111.A N GLY 88.A O no hydrogen 3.167 N/A PHE 112.A N LEU 149.A O no hydrogen 2.938 N/A ALA 113.A N ALA 90.A O no hydrogen 3.242 N/A THR 115.A N THR 92.A OG1 no hydrogen 3.329 N/A THR 115.A OG1 THR 92.A OG1 no hydrogen 2.632 N/A HIS 116.A ND1 ASP 114.A OD1 no hydrogen 2.642 N/A ARG 118.A N THR 115.A O no hydrogen 3.090 N/A ARG 118.A NH2 THR 145.A O no hydrogen 3.263 N/A VAL 119.A N THR 115.A O no hydrogen 3.159 N/A VAL 119.A N HIS 116.A O no hydrogen 3.326 N/A GLY 120.A N HIS 116.A O no hydrogen 3.000 N/A LEU 121.A N HIS 116.A O no hydrogen 3.217 N/A THR 124.A OG1 ILE 72.A O no hydrogen 2.529 N/A TRP 125.A N GLU 96.A OE1 no hydrogen 3.077 N/A TRP 125.A NE1 SER 73.A O no hydrogen 3.152 N/A GLY 126.A N GLU 210.A OE1 no hydrogen 2.838 N/A LEU 127.A N GLU 96.A OE1 no hydrogen 3.092 N/A SER 128.A N GLU 210.A OE2 no hydrogen 3.012 N/A SER 128.A OG GLU 210.A OE2 no hydrogen 2.388 N/A VAL 129.A N GLY 126.A O no hydrogen 3.207 N/A ARG 130.A N GLY 126.A O no hydrogen 2.802 N/A LEU 131.A N LEU 127.A O no hydrogen 2.892 N/A GLN 133.A NE2 ASP 199.A OD1 no hydrogen 2.888 N/A LYS 134.A N ARG 130.A O no hydrogen 2.948 N/A LYS 134.A N LEU 131.A O no hydrogen 3.244 N/A LYS 134.A NZ LEU 99.A O no hydrogen 2.543 N/A LYS 134.A NZ CYS 101.A O no hydrogen 3.375 N/A VAL 135.A N LEU 131.A O no hydrogen 2.947 N/A GLY 136.A N PRO 132.A O no hydrogen 3.141 N/A ALA 140.A N GLY 136.A O no hydrogen 3.088 N/A ARG 141.A N ILE 137.A O no hydrogen 3.004 N/A ARG 142.A N GLY 138.A O no hydrogen 3.054 N/A SER 143.A OG ASP 114.A OD2 no hydrogen 2.911 N/A SER 143.A OG ALA 140.A O no hydrogen 3.113 N/A LEU 144.A N ARG 141.A O no hydrogen 2.933 N/A THR 145.A N ARG 142.A O no hydrogen 3.152 N/A THR 145.A OG1 ARG 142.A O no hydrogen 2.544 N/A ASP 147.A N THR 145.A OG1 no hydrogen 3.204 N/A LEU 149.A N PHE 112.A O no hydrogen 2.650 N/A ASP 153.A N SER 150.A OG no hydrogen 3.336 N/A ALA 154.A N SER 150.A O no hydrogen 2.900 N/A LEU 155.A N ALA 151.A O no hydrogen 3.040 N/A LEU 155.A N THR 152.A O no hydrogen 3.176 N/A ARG 156.A N THR 152.A O no hydrogen 3.261 N/A ALA 157.A N ASP 153.A O no hydrogen 3.289 N/A GLY 158.A N ALA 154.A O no hydrogen 3.224 N/A GLY 158.A N LEU 155.A O no hydrogen 3.314 N/A LEU 159.A N ALA 154.A O no hydrogen 3.008 N/A THR 161.A N LEU 104.A O no hydrogen 2.990 N/A THR 161.A OG1 LEU 104.A O no hydrogen 2.876 N/A VAL 164.A N ALA 106.A O no hydrogen 3.019 N/A HIS 166.A N GLU 108.A OE1 no hydrogen 3.266 N/A HIS 166.A ND1 SER 107.A OG no hydrogen 2.822 N/A HIS 166.A NE2 ASP 55.A OD2 no hydrogen 3.026 N/A GLN 168.A N ALA 165.A O no hydrogen 2.817 N/A LEU 169.A N HIS 166.A O no hydrogen 3.223 N/A THR 172.A N GLN 168.A O no hydrogen 2.941 N/A THR 172.A OG1 GLN 168.A O no hydrogen 2.841 N/A ALA 173.A N LEU 169.A O no hydrogen 2.990 N/A ARG 174.A N LEU 170.A O no hydrogen 2.864 N/A ARG 175.A N PRO 171.A O no hydrogen 2.991 N/A VAL 176.A N THR 172.A O no hydrogen 3.069 N/A ALA 177.A N ALA 173.A O no hydrogen 3.151 N/A ALA 178.A N ARG 174.A O no hydrogen 2.793 N/A SER 179.A N ARG 175.A O no hydrogen 3.132 N/A SER 179.A OG ARG 175.A O no hydrogen 3.438 N/A SER 179.A OG VAL 176.A O no hydrogen 3.086 N/A ILE 180.A N VAL 176.A O no hydrogen 3.187 N/A ILE 180.A N ALA 177.A O no hydrogen 3.034 N/A VAL 181.A N ALA 177.A O no hydrogen 2.803 N/A GLY 182.A N ALA 178.A O no hydrogen 2.821 N/A ASN 183.A N ILE 180.A O no hydrogen 2.924 N/A GLN 185.A NE2 ILE 180.A O no hydrogen 2.805 N/A GLN 185.A NE2 VAL 181.A O no hydrogen 3.362 N/A GLN 185.A NE2 ASN 183.A O no hydrogen 3.062 N/A ASN 186.A N ASN 184.A OD1 no hydrogen 3.244 N/A VAL 188.A N ASN 184.A O no hydrogen 2.852 N/A ARG 189.A N GLN 185.A O no hydrogen 3.183 N/A ALA 190.A N ASN 186.A O no hydrogen 3.007 N/A LEU 191.A N ALA 187.A O no hydrogen 2.931 N/A LEU 192.A N VAL 188.A O no hydrogen 2.969 N/A ALA 193.A N ARG 189.A O no hydrogen 3.071 N/A SER 194.A N ALA 190.A O no hydrogen 3.115 N/A TYR 195.A N LEU 191.A O no hydrogen 2.866 N/A HIS 196.A N LEU 192.A O no hydrogen 2.861 N/A HIS 196.A NE2 ASP 102.A OD1 no hydrogen 2.772 N/A ARG 197.A N ALA 193.A O no hydrogen 3.055 N/A ILE 198.A N SER 194.A O no hydrogen 2.991 N/A ASP 199.A N TYR 195.A O no hydrogen 2.973 N/A GLU 200.A N HIS 196.A O no hydrogen 2.858 N/A SER 201.A N ARG 197.A O no hydrogen 3.015 N/A SER 201.A OG ILE 198.A O no hydrogen 2.914 N/A GLN 202.A N ASP 199.A O no hydrogen 3.032 N/A THR 203.A N GLU 200.A O no hydrogen 3.327 N/A THR 203.A OG1 ASP 199.A O no hydrogen 2.938 N/A ALA 204.A N GLU 200.A O no hydrogen 2.978 N/A LEU 207.A N THR 203.A O no hydrogen 2.804 N/A TRP 208.A N ALA 204.A O no hydrogen 2.998 N/A LEU 209.A N ALA 205.A O no hydrogen 3.071 N/A GLU 210.A N GLY 206.A O no hydrogen 2.888 N/A ALA 211.A N LEU 207.A O no hydrogen 3.195 N/A CYS 212.A N TRP 208.A O no hydrogen 2.998 N/A CYS 212.A SG TRP 208.A O no hydrogen 3.459 N/A ALA 213.A N LEU 209.A O no hydrogen 3.078 N/A ALA 214.A N GLU 210.A O no hydrogen 2.973 N/A LYS 215.A N ALA 211.A O no hydrogen 2.885 N/A GLN 216.A N CYS 212.A O no hydrogen 2.771 N/A PHE 217.A N ALA 213.A O no hydrogen 3.011 N/A PHE 217.A N ALA 214.A O no hydrogen 3.206 N/A ARG 218.A N ALA 214.A O no hydrogen 3.037 N/A THR 219.A N LYS 215.A O no hydrogen 3.186 N/A THR 219.A OG1 LYS 215.A O no hydrogen 2.746 N/A SER 220.A N GLN 216.A O no hydrogen 3.420 N/A SER 220.A OG GLN 216.A O no hydrogen 3.283 N/A GLY 221.A N PHE 217.A O no hydrogen 3.073 N/A ASP 222.A N ARG 218.A O no hydrogen 3.021 N/A THR 223.A N THR 219.A O no hydrogen 3.073 N/A THR 223.A OG1 THR 219.A O no hydrogen 2.740 N/A ILE 224.A N SER 220.A O no hydrogen 2.757 N/A ALA 225.A N GLY 221.A O no hydrogen 3.057 N/A ALA 226.A N ASP 222.A O no hydrogen 3.038 N/A ASN 227.A N ILE 224.A O no hydrogen 3.388 N/A