Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3les_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASP 2.A OD1 no hydrogen 3.514 N/A GLN 6.A N ASP 2.A O no hydrogen 3.215 N/A TYR 7.A N PRO 3.A O no hydrogen 3.094 N/A LEU 8.A N VAL 4.A O no hydrogen 3.033 N/A HIS 9.A N ARG 5.A O no hydrogen 3.149 N/A GLU 10.A N GLN 6.A O no hydrogen 2.958 N/A ILE 11.A N TYR 7.A O no hydrogen 3.095 N/A GLY 12.A N HIS 9.A O no hydrogen 2.857 N/A VAL 14.A N ILE 11.A O no hydrogen 3.363 N/A ALA 21.A N ASP 18.A OD1 no hydrogen 2.641 N/A GLU 22.A N ASP 18.A O no hydrogen 3.322 N/A GLU 22.A N LYS 19.A O no hydrogen 3.081 N/A LEU 23.A N LYS 19.A O no hydrogen 3.437 N/A GLY 24.A N TRP 20.A O no hydrogen 2.635 N/A ALA 26.A N GLU 22.A O no hydrogen 3.119 N/A ALA 27.A N LEU 23.A O no hydrogen 3.013 N/A LYS 28.A NZ GLU 102.A OE2 no hydrogen 3.536 N/A VAL 29.A N ALA 25.A O no hydrogen 2.921 N/A GLU 30.A N ALA 26.A O no hydrogen 3.071 N/A GLU 31.A N ALA 27.A O no hydrogen 3.293 N/A GLY 32.A N LYS 28.A O no hydrogen 3.067 N/A GLY 32.A N VAL 29.A O no hydrogen 3.136 N/A MET 33.A N VAL 29.A O no hydrogen 3.034 N/A GLU 34.A N GLU 30.A O no hydrogen 2.721 N/A ILE 36.A N GLY 32.A O no hydrogen 3.046 N/A LYS 37.A N MET 33.A O no hydrogen 3.213 N/A LYS 37.A NZ GLU 41.A OE2 no hydrogen 3.063 N/A LEU 39.A N ALA 35.A O no hydrogen 2.941 N/A SER 40.A N ILE 36.A O no hydrogen 2.653 N/A SER 40.A OG LEU 45.A O no hydrogen 2.681 N/A GLU 41.A N LYS 37.A O no hydrogen 2.923 N/A ALA 42.A N LYS 38.A O no hydrogen 2.972 N/A THR 43.A N LEU 39.A O no hydrogen 3.009 N/A THR 43.A OG1 LYS 85.A O no hydrogen 3.080 N/A GLY 44.A N SER 40.A O no hydrogen 2.839 N/A LEU 49.A N ASP 46.A OD1 no hydrogen 3.210 N/A ILE 50.A N ASP 46.A O no hydrogen 3.094 N/A ARG 51.A N GLN 47.A O no hydrogen 2.950 N/A ARG 51.A NH2 GLU 148.A OE2 no hydrogen 2.972 N/A GLU 52.A N GLU 48.A O no hydrogen 2.980 N/A VAL 53.A N ILE 50.A O no hydrogen 3.216 N/A VAL 54.A N ILE 50.A O no hydrogen 2.969 N/A ARG 55.A N ARG 51.A O no hydrogen 2.782 N/A ALA 56.A N GLU 52.A O no hydrogen 2.967 N/A LYS 57.A N VAL 53.A O no hydrogen 3.166 N/A ILE 58.A N VAL 54.A O no hydrogen 3.088 N/A LEU 59.A N ARG 55.A O no hydrogen 2.799 N/A GLY 60.A N LYS 57.A O no hydrogen 2.782 N/A THR 61.A N ILE 58.A O no hydrogen 2.859 N/A THR 61.A OG1 ILE 58.A O no hydrogen 3.527 N/A ALA 62.A N LEU 59.A O no hydrogen 3.304 N/A ILE 64.A N GLU 112.A OE2 no hydrogen 2.941 N/A GLN 65.A NE2 ALA 62.A O no hydrogen 3.474 N/A LEU 70.A N ILE 67.A O no hydrogen 3.169 N/A THR 78.A OG1 ASP 75.A OD2 no hydrogen 3.059 N/A VAL 79.A N ASP 75.A O no hydrogen 2.859 N/A GLU 80.A N PRO 76.A O no hydrogen 2.939 N/A GLU 81.A N LYS 77.A O no hydrogen 3.127 N/A VAL 82.A N THR 78.A O no hydrogen 3.047 N/A ASP 83.A N VAL 79.A O no hydrogen 2.880 N/A LYS 85.A N GLU 81.A O no hydrogen 3.216 N/A LEU 86.A N ASP 83.A O no hydrogen 3.157 N/A LYS 87.A N ASP 83.A O no hydrogen 2.669 N/A SER 88.A OG GLY 84.A O no hydrogen 2.793 N/A LEU 93.A N PRO 90.A O no hydrogen 3.221 N/A LYS 94.A N PRO 90.A O no hydrogen 3.287 N/A ARG 95.A NE GLU 92.A OE2 no hydrogen 3.290 N/A ARG 95.A NH2 GLU 92.A OE2 no hydrogen 3.345 N/A TYR 96.A N LEU 93.A O no hydrogen 3.186 N/A LEU 97.A N LYS 94.A O no hydrogen 3.087 N/A HIS 98.A N ARG 95.A O no hydrogen 3.154 N/A ILE 99.A N ARG 95.A O no hydrogen 3.353 N/A ALA 100.A N TYR 96.A O no hydrogen 3.044 N/A ARG 101.A N LEU 97.A O no hydrogen 3.120 N/A GLU 102.A N HIS 98.A O no hydrogen 2.824 N/A GLY 103.A N ILE 99.A O no hydrogen 3.143 N/A GLU 104.A N ARG 101.A O no hydrogen 2.775 N/A ALA 105.A N ARG 101.A O no hydrogen 2.740 N/A ALA 106.A N GLU 102.A O no hydrogen 3.071 N/A ARG 107.A N GLY 103.A O no hydrogen 3.373 N/A ARG 107.A NH1 GLU 104.A OE1 no hydrogen 3.102 N/A GLN 108.A N GLU 104.A O no hydrogen 3.053 N/A GLN 108.A NE2 GLU 112.A OE2 no hydrogen 3.016 N/A HIS 109.A N ALA 105.A O no hydrogen 2.939 N/A LEU 110.A N ALA 106.A O no hydrogen 2.777 N/A ILE 111.A N ARG 107.A O no hydrogen 3.019 N/A GLU 112.A N GLN 108.A O no hydrogen 2.720 N/A ALA 113.A N HIS 109.A O no hydrogen 3.003 N/A ASN 114.A N ILE 111.A O no hydrogen 2.946 N/A ASN 114.A ND2 GLU 22.A OE2 no hydrogen 3.395 N/A ASN 114.A ND2 LEU 110.A O no hydrogen 2.886 N/A LEU 115.A N GLU 112.A O no hydrogen 3.281 N/A ARG 116.A NH1 GLY 12.A O no hydrogen 3.212 N/A VAL 118.A N LEU 115.A O no hydrogen 3.240 N/A VAL 119.A N LEU 115.A O no hydrogen 3.104 N/A SER 120.A N ARG 116.A O no hydrogen 2.920 N/A SER 120.A OG LEU 117.A O no hydrogen 3.001 N/A ILE 121.A N LEU 117.A O no hydrogen 3.418 N/A ALA 122.A N VAL 118.A O no hydrogen 3.019 N/A LYS 123.A N VAL 119.A O no hydrogen 3.087 N/A LYS 124.A N ILE 121.A O no hydrogen 3.013 N/A TYR 125.A N ALA 122.A O no hydrogen 3.070 N/A SER 131.A OG ASP 134.A OD1 no hydrogen 3.033 N/A LEU 135.A N SER 131.A O no hydrogen 3.158 N/A LEU 135.A N PHE 132.A O no hydrogen 3.070 N/A ILE 136.A N PHE 132.A O no hydrogen 3.040 N/A GLN 137.A N LEU 133.A O no hydrogen 2.991 N/A GLU 138.A N ASP 134.A O no hydrogen 3.265 N/A GLY 139.A N LEU 135.A O no hydrogen 2.732 N/A ASN 140.A N ILE 136.A O no hydrogen 2.837 N/A ASN 140.A ND2 TYR 7.A OH no hydrogen 3.548 N/A ASN 140.A ND2 PRO 68.A O no hydrogen 2.617 N/A GLN 141.A N GLN 137.A O no hydrogen 3.429 N/A GLN 141.A NE2 GLY 69.A O no hydrogen 2.868 N/A GLY 142.A N GLU 138.A O no hydrogen 3.021 N/A LEU 143.A N GLY 139.A O no hydrogen 2.698 N/A ILE 144.A N ASN 140.A O no hydrogen 2.779 N/A ARG 145.A N GLN 141.A O no hydrogen 2.990 N/A ALA 146.A N GLY 142.A O no hydrogen 3.232 N/A ALA 146.A N LEU 143.A O no hydrogen 3.127 N/A VAL 147.A N LEU 143.A O no hydrogen 3.036 N/A GLU 148.A N ILE 144.A O no hydrogen 3.216 N/A LYS 149.A N ARG 145.A O no hydrogen 3.090 N/A ARG 154.A N GLU 151.A O no hydrogen 3.337 N/A PHE 156.A N ARG 154.A O no hydrogen 2.711 N/A TYR 161.A N ALA 157.A O no hydrogen 3.525 N/A ALA 162.A N PHE 158.A O no hydrogen 2.790 N/A THR 163.A N SER 159.A O no hydrogen 3.237 N/A THR 163.A OG1 SER 159.A O no hydrogen 2.784 N/A ILE 166.A N ALA 162.A O no hydrogen 3.012 N/A ARG 167.A N THR 163.A O no hydrogen 2.801 N/A GLN 168.A N TRP 164.A O no hydrogen 2.963 N/A ALA 169.A N TRP 165.A O no hydrogen 3.040 N/A ILE 170.A N ILE 166.A O no hydrogen 3.103 N/A ASN 171.A N ARG 167.A O no hydrogen 3.039 N/A ALA 173.A N ALA 169.A O no hydrogen 3.122 N/A ALA 173.A N ILE 170.A O no hydrogen 2.959 N/A ILE 174.A N ILE 170.A O no hydrogen 3.066 N/A ALA 175.A N ARG 172.A O no hydrogen 3.280 N/A