Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 223.A OD2 no hydrogen 2.691 N/A GLN 7.A NE2 ARG 33.A O no hydrogen 3.070 N/A LEU 9.A N LYS 6.A O no hydrogen 2.939 N/A LEU 10.A N TYR 34.A O no hydrogen 2.904 N/A ASN 11.A N ASP 8.A O no hydrogen 2.945 N/A ARG 13.A N LEU 10.A O no hydrogen 3.028 N/A ARG 13.A NH1 SER 138.A OG no hydrogen 3.421 N/A ILE 14.A N ASP 93.A OD2 no hydrogen 2.904 N/A ILE 15.A N THR 37.A O no hydrogen 3.048 N/A LEU 16.A N GLY 94.A O no hydrogen 2.898 N/A VAL 17.A N ILE 39.A O no hydrogen 2.861 N/A THR 18.A N LEU 96.A O no hydrogen 3.022 N/A THR 18.A OG1 LEU 96.A O no hydrogen 3.478 N/A ALA 20.A N LEU 41.A O no hydrogen 3.245 N/A ASP 22.A N GLY 19.A O no hydrogen 3.492 N/A GLY 23.A N ASP 22.A OD1 no hydrogen 2.736 N/A ARG 26.A N ASP 22.A O no hydrogen 2.968 N/A GLU 27.A N GLY 23.A O no hydrogen 3.162 N/A ALA 28.A N ILE 24.A O no hydrogen 2.800 N/A ALA 29.A N GLY 25.A O no hydrogen 2.977 N/A THR 30.A OG1 GLU 27.A O no hydrogen 3.044 N/A TYR 31.A N ALA 28.A O no hydrogen 2.823 N/A TYR 31.A OH TYR 217.A O no hydrogen 3.216 N/A ALA 32.A N ALA 29.A O no hydrogen 3.127 N/A ARG 33.A NH1 GLU 58.A OE1 no hydrogen 2.462 N/A TYR 34.A N TYR 31.A O no hydrogen 2.984 N/A GLY 35.A N ALA 32.A O no hydrogen 2.923 N/A ALA 36.A N TYR 31.A O no hydrogen 3.062 N/A THR 37.A N ARG 13.A O no hydrogen 2.720 N/A ILE 39.A N ILE 15.A O no hydrogen 2.904 N/A LEU 40.A N GLN 64.A O no hydrogen 2.857 N/A LEU 41.A N VAL 17.A O no hydrogen 2.986 N/A GLY 42.A N PHE 66.A O no hydrogen 3.318 N/A LYS 47.A N ASN 44.A OD1 no hydrogen 3.372 N/A LEU 48.A N ASN 44.A O no hydrogen 3.139 N/A ARG 49.A N GLU 45.A O no hydrogen 2.673 N/A GLN 50.A N GLU 46.A O no hydrogen 3.002 N/A VAL 51.A N LYS 47.A O no hydrogen 3.304 N/A ALA 52.A N LEU 48.A O no hydrogen 3.030 N/A SER 53.A N ARG 49.A O no hydrogen 2.971 N/A HIS 54.A N GLN 50.A O no hydrogen 3.143 N/A ILE 55.A N VAL 51.A O no hydrogen 3.071 N/A ASN 56.A N ALA 52.A O no hydrogen 2.938 N/A GLU 57.A N SER 53.A O no hydrogen 2.890 N/A GLU 58.A N HIS 54.A O no hydrogen 2.901 N/A THR 59.A N ASN 56.A O no hydrogen 3.420 N/A THR 59.A OG1 ILE 55.A O no hydrogen 2.625 N/A GLY 60.A N ASN 56.A O no hydrogen 2.752 N/A ARG 61.A N THR 59.A OG1 no hydrogen 3.355 N/A GLN 64.A NE2 ASN 88.A OD1 no hydrogen 3.613 N/A GLN 64.A NE2 TYR 89.A OH no hydrogen 2.706 N/A PHE 66.A N LEU 40.A O no hydrogen 2.857 N/A LEU 68.A N GLY 42.A O no hydrogen 2.860 N/A LEU 71.A N ASP 69.A OD1 no hydrogen 3.267 N/A THR 72.A N ASP 69.A O no hydrogen 3.111 N/A CYS 73.A N ASP 69.A O no hydrogen 2.845 N/A ASN 77.A N THR 74.A OG1 no hydrogen 3.038 N/A CYS 78.A N THR 74.A O no hydrogen 3.136 N/A CYS 78.A SG THR 74.A O no hydrogen 3.522 N/A GLN 79.A N SER 75.A O no hydrogen 3.150 N/A GLN 79.A N GLU 76.A O no hydrogen 2.801 N/A GLN 80.A N GLU 76.A O no hydrogen 2.830 N/A LEU 81.A N ASN 77.A O no hydrogen 3.279 N/A ALA 82.A N CYS 78.A O no hydrogen 3.204 N/A GLN 83.A N GLN 79.A O no hydrogen 2.908 N/A ARG 84.A N GLN 80.A O no hydrogen 2.890 N/A ILE 85.A N LEU 81.A O no hydrogen 2.851 N/A ALA 86.A N ALA 82.A O no hydrogen 2.788 N/A VAL 87.A N GLN 83.A O no hydrogen 3.362 N/A TYR 89.A N ILE 85.A O no hydrogen 3.065 N/A ARG 91.A NE ASP 93.A OD1 no hydrogen 2.942 N/A ARG 91.A NH2 ASP 93.A OD1 no hydrogen 3.480 N/A LEU 92.A N LEU 134.A O no hydrogen 3.089 N/A ASP 93.A N ILE 14.A O no hydrogen 2.770 N/A GLY 94.A N ILE 14.A O no hydrogen 3.032 N/A VAL 95.A N SER 142.A O no hydrogen 2.954 N/A LEU 96.A N LEU 16.A O no hydrogen 2.912 N/A HIS 97.A N VAL 144.A O no hydrogen 2.957 N/A ASN 98.A N THR 18.A OG1 no hydrogen 2.725 N/A ALA 99.A N THR 18.A OG1 no hydrogen 2.919 N/A LEU 101.A N ASN 121.A OD1 no hydrogen 2.858 N/A CYS 106.A N ASN 157.A O no hydrogen 2.685 N/A CYS 106.A SG PRO 107.A O no hydrogen 3.598 N/A CYS 106.A SG GLN 110.A OE1 no hydrogen 3.578 N/A GLU 109.A N PRO 107.A O no hydrogen 2.881 N/A GLN 110.A N PRO 107.A O no hydrogen 2.881 N/A GLN 110.A NE2 ASP 104.A O no hydrogen 3.201 N/A ASN 111.A N ASP 104.A OD2 no hydrogen 3.026 N/A VAL 114.A N ASN 111.A OD1 no hydrogen 3.199 N/A TRP 115.A N ASN 111.A O no hydrogen 2.862 N/A GLN 116.A N PRO 112.A O no hydrogen 2.798 N/A ASP 117.A N GLN 113.A O no hydrogen 2.764 N/A VAL 118.A N VAL 114.A O no hydrogen 2.815 N/A VAL 120.A N ASP 117.A O no hydrogen 3.115 N/A ASN 121.A N VAL 118.A O no hydrogen 2.987 N/A ASN 121.A ND2 LEU 101.A O no hydrogen 3.135 N/A ASN 121.A ND2 SER 164.A OG no hydrogen 3.013 N/A ASN 123.A ND2 GLN 119.A OE1 no hydrogen 2.757 N/A ALA 124.A N GLN 119.A O no hydrogen 2.770 N/A THR 125.A OG1 VAL 120.A O no hydrogen 2.879 N/A THR 125.A OG1 ASN 121.A O no hydrogen 3.075 N/A PHE 126.A N VAL 122.A O no hydrogen 2.698 N/A THR 128.A N THR 125.A O no hydrogen 3.035 N/A GLN 129.A N PHE 126.A O no hydrogen 2.883 N/A LEU 131.A N LEU 127.A O no hydrogen 2.951 N/A LEU 132.A N GLN 129.A O no hydrogen 3.230 N/A LEU 135.A N LEU 131.A O no hydrogen 3.200 N/A LEU 136.A N LEU 132.A O no hydrogen 3.000 N/A LYS 137.A N PRO 133.A O no hydrogen 3.158 N/A SER 138.A OG ASP 93.A OD1 no hydrogen 3.075 N/A ALA 140.A N SER 138.A OG no hydrogen 2.916 N/A SER 142.A N ASP 93.A O no hydrogen 2.878 N/A SER 142.A OG LEU 220.A O no hydrogen 2.722 N/A LEU 143.A N ARG 182.A O no hydrogen 2.858 N/A VAL 144.A N VAL 95.A O no hydrogen 3.038 N/A PHE 145.A N ASN 184.A O no hydrogen 2.768 N/A THR 146.A OG1 HIS 97.A O no hydrogen 2.494 N/A SER 147.A N ILE 186.A O no hydrogen 2.971 N/A SER 147.A OG SER 148.A O no hydrogen 3.522 N/A SER 147.A OG GLU 169.A OE2 no hydrogen 2.812 N/A VAL 150.A N SER 148.A OG no hydrogen 3.428 N/A GLY 151.A N SER 148.A O no hydrogen 2.732 N/A ARG 152.A N SER 149.A O no hydrogen 3.138 N/A ARG 152.A NE GLU 169.A OE2 no hydrogen 2.824 N/A ARG 152.A NH1 ASP 233.A OD1 no hydrogen 3.035 N/A ARG 152.A NH2 ASP 233.A OD1 no hydrogen 2.948 N/A GLN 153.A N SER 149.A O no hydrogen 3.137 N/A TRP 158.A N ARG 155.A O no hydrogen 3.241 N/A ALA 163.A N GLY 159.A O no hydrogen 3.162 N/A SER 164.A N ALA 160.A O no hydrogen 2.778 N/A SER 164.A OG ALA 160.A O no hydrogen 3.328 N/A SER 164.A OG TYR 161.A O no hydrogen 2.778 N/A LYS 165.A N TYR 161.A O no hydrogen 3.054 N/A LYS 165.A N ALA 162.A O no hydrogen 3.132 N/A LYS 165.A NZ THR 146.A O no hydrogen 2.914 N/A PHE 166.A N ALA 162.A O no hydrogen 3.070 N/A ALA 167.A N ALA 163.A O no hydrogen 3.202 N/A THR 168.A N SER 164.A O no hydrogen 3.044 N/A THR 168.A OG1 SER 164.A O no hydrogen 2.876 N/A GLU 169.A N LYS 165.A O no hydrogen 3.022 N/A GLY 170.A N PHE 166.A O no hydrogen 2.920 N/A VAL 172.A N GLY 170.A O no hydrogen 3.002 N/A ASP 175.A N GLN 171.A O no hydrogen 2.995 N/A GLU 176.A N ALA 174.A O no hydrogen 2.824 N/A TYR 177.A N LEU 173.A O no hydrogen 2.913 N/A TYR 177.A N ALA 174.A O no hydrogen 3.146 N/A ARG 182.A N GLY 141.A O no hydrogen 3.103 N/A ARG 182.A NH1 GLY 221.A O no hydrogen 2.720 N/A ARG 182.A NH2 ALA 140.A O no hydrogen 2.848 N/A ARG 182.A NH2 GLY 221.A O no hydrogen 3.280 N/A VAL 183.A N THR 228.A OG1 no hydrogen 2.853 N/A ASN 184.A N LEU 143.A O no hydrogen 3.035 N/A ASN 184.A ND2 LYS 227.A O no hydrogen 3.578 N/A CYS 185.A N MET 230.A O no hydrogen 2.890 N/A CYS 185.A SG GLU 169.A OE1 no hydrogen 3.256 N/A ILE 186.A N PHE 145.A O no hydrogen 3.017 N/A ASN 187.A N PHE 232.A O no hydrogen 2.754 N/A ASN 187.A ND2 ASP 233.A OD1 no hydrogen 2.906 N/A GLY 189.A N ASN 187.A OD1 no hydrogen 2.953 N/A THR 191.A OG1 GLY 189.A O no hydrogen 2.954 N/A ARG 192.A N LYS 209.A O no hydrogen 2.892 N/A ARG 192.A NH1 PRO 205.A O no hydrogen 3.173 N/A ARG 196.A N THR 193.A OG1 no hydrogen 3.375 N/A ARG 196.A NE GLU 203.A OE1 no hydrogen 3.091 N/A ARG 196.A NE GLU 203.A OE2 no hydrogen 3.271 N/A ARG 196.A NH2 GLU 203.A OE2 no hydrogen 3.059 N/A ALA 197.A N THR 193.A O no hydrogen 3.164 N/A SER 198.A N ALA 194.A O no hydrogen 2.978 N/A SER 198.A OG ALA 194.A O no hydrogen 3.180 N/A ALA 199.A N MET 195.A O no hydrogen 3.328 N/A PHE 200.A N ARG 196.A O no hydrogen 3.027 N/A PHE 200.A N ALA 197.A O no hydrogen 3.189 N/A GLN 206.A N ASP 204.A OD1 no hydrogen 2.952 N/A LYS 207.A N ASP 204.A O no hydrogen 2.747 N/A LEU 208.A N PRO 205.A O no hydrogen 2.649 N/A ASP 213.A N THR 210.A O no hydrogen 2.493 N/A ILE 214.A N PRO 211.A O no hydrogen 3.238 N/A TRP 219.A N PRO 215.A O no hydrogen 2.772 N/A LEU 220.A N LEU 216.A O no hydrogen 3.002 N/A SER 224.A OG TRP 219.A O no hydrogen 3.153 N/A ARG 225.A N ASP 222.A O no hydrogen 3.056 N/A LYS 227.A N SER 224.A O no hydrogen 2.887 N/A THR 228.A OG1 LEU 181.A O no hydrogen 3.165 N/A GLY 229.A N VAL 183.A O no hydrogen 2.665 N/A MET 230.A N ASN 184.A OD1 no hydrogen 2.815 N/A THR 231.A OG1 GLU 169.A OE1 no hydrogen 2.719 N/A THR 231.A OG1 GLU 169.A OE2 no hydrogen 3.546 N/A PHE 232.A N CYS 185.A O no hydrogen 2.906 N/A ALA 234.A N ASN 187.A O no hydrogen 3.028 N/A ARG 238.A N GLN 235.A O no hydrogen 3.185 N/A ARG 238.A NH2 GLY 241.A O no hydrogen 2.914 N/A GLN 244.A NE2 ARG 238.A O no hydrogen 2.978 N/A