Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cjt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 56.A OD1 no hydrogen 2.613 N/A MET 1.A N ASP 56.A OD2 no hydrogen 2.808 N/A TRP 2.A N PHE 39.A O no hydrogen 2.725 N/A VAL 3.A N GLU 52.A O no hydrogen 2.765 N/A TYR 4.A N ALA 37.A O no hydrogen 2.802 N/A ARG 5.A N VAL 50.A O no hydrogen 2.833 N/A ARG 5.A NE GLU 34.A OE1 no hydrogen 3.397 N/A ARG 5.A NH1 GLU 52.A OE2 no hydrogen 2.643 N/A ARG 5.A NH2 GLU 34.A OE1 no hydrogen 3.124 N/A LEU 6.A N VAL 35.A O no hydrogen 2.884 N/A GLY 8.A N GLY 33.A O no hydrogen 2.888 N/A LEU 10.A N GLU 30.A OE1 no hydrogen 3.015 N/A ALA 12.A N THR 9.A OG1 no hydrogen 2.929 N/A LEU 13.A N THR 9.A O no hydrogen 2.986 N/A ASP 14.A N GLU 11.A O no hydrogen 3.048 N/A ILE 16.A N LEU 13.A O no hydrogen 2.954 N/A LEU 20.A N ILE 16.A O no hydrogen 3.256 N/A PHE 21.A N LEU 17.A O no hydrogen 3.269 N/A ASP 22.A N PRO 18.A O no hydrogen 2.844 N/A GLY 23.A N GLY 19.A O no hydrogen 2.900 N/A GLY 23.A N LEU 20.A O no hydrogen 3.240 N/A GLY 24.A N PHE 21.A O no hydrogen 2.792 N/A ALA 25.A N LEU 20.A O no hydrogen 2.971 N/A ARG 26.A N PHE 38.A O no hydrogen 2.769 N/A TRP 29.A N TRP 36.A O no hydrogen 2.938 N/A ARG 31.A N GLU 34.A O no hydrogen 2.714 N/A GLU 32.A N GLU 32.A OE2 no hydrogen 2.859 N/A GLU 34.A N ARG 31.A O no hydrogen 3.306 N/A VAL 35.A N LEU 6.A O no hydrogen 2.816 N/A TRP 36.A N TRP 29.A O no hydrogen 2.847 N/A TRP 36.A NE1 GLU 34.A OE1 no hydrogen 3.243 N/A ALA 37.A N TYR 4.A O no hydrogen 3.024 N/A PHE 38.A N GLY 27.A O no hydrogen 3.192 N/A PHE 39.A N TRP 2.A O no hydrogen 2.806 N/A GLY 49.A N TYR 4.A OH no hydrogen 2.797 N/A VAL 50.A N ARG 5.A O no hydrogen 3.028 N/A GLU 52.A N VAL 3.A O no hydrogen 2.828 N/A VAL 54.A N MET 1.A O no hydrogen 2.965 N/A GLU 61.A N ASP 58.A OD1 no hydrogen 3.195 N/A ALA 62.A N ASP 58.A O no hydrogen 3.061 N/A TRP 63.A N TRP 59.A O no hydrogen 2.999 N/A ARG 64.A N LEU 60.A O no hydrogen 3.009 N/A ARG 65.A N GLU 61.A O no hydrogen 2.974 N/A ASP 66.A N ALA 62.A O no hydrogen 3.220 N/A LEU 67.A N TRP 63.A O no hydrogen 3.138 N/A LEU 67.A N ARG 64.A O no hydrogen 3.332 N/A LYS 68.A NZ ARG 65.A O no hydrogen 2.476 N/A ALA 70.A N VAL 77.A O no hydrogen 2.877 N/A ALA 72.A N PHE 75.A O no hydrogen 2.921 N/A PHE 75.A N ALA 72.A O no hydrogen 2.860 N/A VAL 76.A N ILE 89.A O no hydrogen 2.901 N/A VAL 77.A N ALA 70.A O no hydrogen 2.805 N/A LEU 78.A N LEU 91.A O no hydrogen 2.734 N/A ALA 79.A N HIS 82.A ND1 no hydrogen 2.935 N/A HIS 82.A N ALA 79.A O no hydrogen 2.884 N/A HIS 82.A NE2 LEU 67.A O no hydrogen 2.889 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 3.121 N/A ILE 89.A N PRO 74.A O no hydrogen 2.753 N/A LEU 91.A N VAL 76.A O no hydrogen 2.769 N/A VAL 92.A N ASN 165.A OD1 no hydrogen 2.957 N/A ILE 93.A N LEU 78.A O no hydrogen 2.891 N/A GLU 94.A N ASN 161.A OD1 no hydrogen 3.179 N/A MET 97.A N GLN 157.A OE1 no hydrogen 3.163 N/A HIS 103.A N THR 101.A OG1 no hydrogen 3.179 N/A ARG 108.A N ALA 104.A O no hydrogen 3.098 N/A ARG 108.A NH1 GLY 102.A O no hydrogen 3.242 N/A LEU 109.A N GLU 105.A O no hydrogen 2.825 N/A ALA 110.A N THR 106.A O no hydrogen 3.020 N/A LEU 111.A N THR 107.A O no hydrogen 2.861 N/A LYS 112.A N ARG 108.A O no hydrogen 3.060 N/A ALA 113.A N LEU 109.A O no hydrogen 3.086 N/A LEU 114.A N ALA 110.A O no hydrogen 2.974 N/A ARG 116.A N LYS 112.A O no hydrogen 3.252 N/A ARG 116.A NE GLU 240.A OE1 no hydrogen 3.196 N/A ARG 116.A NE GLU 240.A OE2 no hydrogen 2.859 N/A ARG 116.A NH2 GLU 240.A OE2 no hydrogen 2.578 N/A HIS 117.A N ALA 113.A O no hydrogen 3.093 N/A HIS 117.A N LEU 114.A O no hydrogen 3.329 N/A HIS 117.A NE2 GLU 240.A OE2 no hydrogen 2.759 N/A LEU 118.A N.A LEU 114.A O no hydrogen 2.963 N/A LEU 118.A N.B LEU 114.A O no hydrogen 2.947 N/A ARG 119.A N ASP 122.A OD2 no hydrogen 2.904 N/A GLY 121.A N GLY 142.A O no hydrogen 2.702 N/A ASP 122.A N ARG 119.A O no hydrogen 2.935 N/A LYS 123.A N ASP 186.A OD1 no hydrogen 2.618 N/A LYS 123.A NZ PHE 182.A O no hydrogen 2.953 N/A VAL 124.A N LYS 144.A O no hydrogen 2.847 N/A LEU 125.A N LEU 187.A O no hydrogen 2.776 N/A ASP 126.A N LEU 146.A O no hydrogen 2.773 N/A LEU 127.A N VAL 189.A O no hydrogen 2.921 N/A GLY 128.A N VAL 148.A O no hydrogen 2.811 N/A THR 129.A N VAL 148.A O no hydrogen 2.856 N/A THR 129.A OG1 ASP 126.A OD2 no hydrogen 2.724 N/A GLY 130.A N ASP 149.A OD1 no hydrogen 2.925 N/A SER 131.A N PHE 99.A O no hydrogen 2.959 N/A SER 131.A OG GLY 100.A O no hydrogen 2.539 N/A GLY 132.A N THR 129.A O no hydrogen 2.945 N/A VAL 133.A N SER 131.A OG no hydrogen 3.308 N/A ILE 136.A N GLY 132.A O no hydrogen 2.964 N/A ALA 137.A N VAL 133.A O no hydrogen 2.986 N/A ALA 138.A N LEU 134.A O no hydrogen 2.894 N/A GLU 139.A N ALA 135.A O no hydrogen 3.038 N/A LYS 140.A N ILE 136.A O no hydrogen 3.004 N/A LYS 140.A NZ ASN 165.A O no hydrogen 3.227 N/A LEU 141.A N ALA 137.A O no hydrogen 3.070 N/A LEU 141.A N ALA 138.A O no hydrogen 3.159 N/A GLY 142.A N GLU 139.A O no hydrogen 2.966 N/A GLY 143.A N ALA 138.A O no hydrogen 2.940 N/A LYS 144.A N ASP 122.A O no hydrogen 2.992 N/A ALA 145.A N GLU 139.A OE1 no hydrogen 2.919 N/A LEU 146.A N VAL 124.A O no hydrogen 2.841 N/A GLY 147.A N ARG 170.A O no hydrogen 2.797 N/A VAL 148.A N ASP 126.A O no hydrogen 3.052 N/A ASP 149.A N LEU 172.A O no hydrogen 3.097 N/A ASP 151.A N ASP 149.A OD2 no hydrogen 2.994 N/A MET 153.A N ASP 151.A OD1 no hydrogen 2.951 N/A VAL 154.A N ASP 151.A O no hydrogen 3.402 N/A GLN 157.A NE2 MET 97.A O no hydrogen 3.403 N/A GLN 157.A NE2 MET 153.A O no hydrogen 3.081 N/A ALA 158.A N VAL 154.A O no hydrogen 2.760 N/A GLU 159.A N LEU 155.A O no hydrogen 2.961 N/A ALA 160.A N PRO 156.A O no hydrogen 2.961 N/A ASN 161.A N GLN 157.A O no hydrogen 2.934 N/A ASN 161.A ND2 SER 131.A O no hydrogen 2.853 N/A ALA 162.A N ALA 158.A O no hydrogen 2.963 N/A LYS 163.A N GLU 159.A O no hydrogen 3.183 N/A ARG 164.A N ALA 160.A O no hydrogen 3.339 N/A ARG 164.A N ASN 161.A O no hydrogen 3.095 N/A ARG 164.A NH1 ASN 161.A OD1 no hydrogen 3.003 N/A ASN 165.A N ALA 162.A O no hydrogen 3.020 N/A ASN 165.A ND2 VAL 92.A O no hydrogen 2.842 N/A ASN 165.A ND2 ASN 161.A O no hydrogen 2.646 N/A VAL 167.A N ALA 162.A O no hydrogen 3.236 N/A ARG 170.A N ALA 145.A O no hydrogen 2.901 N/A LEU 172.A N GLY 147.A O no hydrogen 2.896 N/A GLY 174.A N ASP 149.A O no hydrogen 2.923 N/A ALA 179.A N SER 175.A O no hydrogen 3.298 N/A ALA 179.A N LEU 176.A O no hydrogen 3.043 N/A LEU 180.A N LEU 176.A O no hydrogen 3.124 N/A PHE 182.A N ALA 179.A O no hydrogen 2.990 N/A GLY 183.A N LEU 180.A O no hydrogen 2.996 N/A PHE 185.A N ALA 207.A O no hydrogen 2.771 N/A ASP 186.A N LYS 123.A O no hydrogen 2.741 N/A LEU 187.A N LYS 123.A O no hydrogen 2.866 N/A LEU 188.A N ARG 213.A O no hydrogen 2.771 N/A VAL 189.A N LEU 125.A O no hydrogen 2.782 N/A ALA 190.A N LEU 215.A O no hydrogen 2.871 N/A ASN 191.A ND2 THR 106.A OG1 no hydrogen 3.027 N/A LEU 192.A N THR 217.A O no hydrogen 3.130 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.753 N/A HIS 197.A N TYR 193.A O no hydrogen 3.224 N/A HIS 197.A ND1 TYR 204.A OH no hydrogen 2.780 N/A HIS 197.A NE2 THR 217.A O no hydrogen 2.717 N/A ALA 198.A N ALA 194.A O no hydrogen 3.007 N/A ALA 199.A N GLU 195.A O no hydrogen 3.095 N/A LEU 200.A N LEU 196.A O no hydrogen 2.978 N/A ALA 201.A N HIS 197.A O no hydrogen 2.890 N/A ARG 203.A NE GLU 177.A OE2 no hydrogen 2.929 N/A ARG 203.A NH2 GLU 177.A OE1 no hydrogen 2.538 N/A ARG 203.A NH2 GLU 177.A OE2 no hydrogen 3.284 N/A TYR 204.A N LEU 200.A O no hydrogen 2.766 N/A TYR 204.A OH HIS 197.A ND1 no hydrogen 2.780 N/A ARG 205.A N ALA 201.A O no hydrogen 3.157 N/A ARG 205.A NH1 ALA 234.A O no hydrogen 3.564 N/A ALA 207.A N ARG 203.A O no hydrogen 3.119 N/A ALA 207.A N TYR 204.A O no hydrogen 3.157 N/A LEU 208.A N ARG 205.A O no hydrogen 3.345 N/A VAL 209.A N PHE 185.A O no hydrogen 3.124 N/A GLY 211.A N ARG 254.A OXT no hydrogen 2.688 N/A GLY 212.A N VAL 209.A O no hydrogen 2.934 N/A ARG 213.A N ASP 186.A O no hydrogen 3.026 N/A ARG 213.A NE HIS 117.A O no hydrogen 3.405 N/A ARG 213.A NH1 GLY 211.A O no hydrogen 3.065 N/A ARG 213.A NH2 HIS 117.A O no hydrogen 2.921 N/A ARG 213.A NH2 ASP 122.A OD2 no hydrogen 2.802 N/A ALA 214.A N TYR 252.A O no hydrogen 2.863 N/A LEU 215.A N LEU 188.A O no hydrogen 2.756 N/A LEU 216.A N LEU 250.A O no hydrogen 2.876 N/A THR 217.A N ALA 190.A O no hydrogen 2.861 N/A THR 217.A OG1 VAL 248.A O no hydrogen 2.666 N/A LYS 221.A N GLU 246.A O no hydrogen 2.859 N/A ARG 223.A N LEU 220.A O no hydrogen 2.686 N/A ALA 224.A N LYS 221.A O no hydrogen 3.294 N/A LEU 226.A N ARG 223.A O no hydrogen 3.164 N/A ARG 228.A N ALA 224.A O no hydrogen 2.912 N/A ARG 228.A NE GLU 241.A OE2 no hydrogen 2.873 N/A ARG 228.A NH2 GLU 241.A OE1 no hydrogen 2.949 N/A GLU 229.A N PRO 225.A O no hydrogen 2.785 N/A ALA 230.A N LEU 226.A O no hydrogen 3.179 N/A MET 231.A N VAL 227.A O no hydrogen 2.871 N/A ALA 232.A N ARG 228.A O no hydrogen 3.046 N/A GLY 233.A N GLU 229.A O no hydrogen 3.141 N/A ALA 234.A N ALA 230.A O no hydrogen 3.026 N/A GLY 235.A N ALA 232.A O no hydrogen 2.847 N/A PHE 236.A N MET 231.A O no hydrogen 2.990 N/A ARG 237.A N GLY 253.A O no hydrogen 2.801 N/A LEU 239.A N ALA 251.A O no hydrogen 2.771 N/A ALA 242.A N LEU 249.A O no hydrogen 2.921 N/A GLU 244.A N TRP 247.A O no hydrogen 3.018 N/A TRP 247.A N GLU 244.A O no hydrogen 3.046 N/A VAL 248.A N ILE 219.A O no hydrogen 2.879 N/A LEU 249.A N ALA 242.A O no hydrogen 2.651 N/A LEU 250.A N LEU 216.A O no hydrogen 2.749 N/A ALA 251.A N GLU 240.A O no hydrogen 3.019 N/A TYR 252.A N ALA 214.A O no hydrogen 2.898 N/A GLY 253.A N ARG 237.A O no hydrogen 2.459 N/A ARG 254.A N GLY 212.A O no hydrogen 2.865 N/A ARG 254.A NE ARG 205.A O no hydrogen 2.794 N/A ARG 254.A NE LEU 208.A O no hydrogen 3.103 N/A ARG 254.A NH2 ARG 205.A O no hydrogen 3.266 N/A