Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3esx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 3.A N VAL 29.A O no hydrogen 3.136 N/A GLY 4.A N TYR 48.A O no hydrogen 3.152 N/A LEU 5.A N THR 31.A O no hydrogen 2.891 N/A PHE 6.A N ILE 50.A O no hydrogen 2.810 N/A TYR 7.A N HIS 33.A O no hydrogen 2.886 N/A GLY 8.A N GLY 52.A O no hydrogen 2.899 N/A LYS 13.A NZ ASP 145.A OD1 no hydrogen 2.923 N/A THR 14.A OG1 THR 87.A OG1 no hydrogen 2.836 N/A SER 16.A N GLY 12.A O no hydrogen 3.092 N/A SER 16.A OG GLY 12.A O no hydrogen 3.496 N/A VAL 17.A N LYS 13.A O no hydrogen 3.016 N/A ALA 18.A N THR 14.A O no hydrogen 2.891 N/A GLU 19.A N LYS 15.A O no hydrogen 3.048 N/A ILE 20.A N SER 16.A O no hydrogen 3.182 N/A ILE 21.A N VAL 17.A O no hydrogen 2.997 N/A ARG 22.A N ALA 18.A O no hydrogen 3.039 N/A ARG 22.A NE VAL 30.A O no hydrogen 3.188 N/A ASP 23.A N GLU 19.A O no hydrogen 3.128 N/A GLU 24.A N ILE 20.A O no hydrogen 2.854 N/A PHE 25.A N ILE 21.A O no hydrogen 3.109 N/A VAL 29.A N GLY 26.A O no hydrogen 3.381 N/A THR 31.A N ILE 3.A O no hydrogen 2.949 N/A THR 31.A OG1 HIS 33.A NE2 no hydrogen 2.883 N/A THR 31.A OG1 TYR 46.A OH no hydrogen 2.624 N/A HIS 33.A N LEU 5.A O no hydrogen 2.782 N/A HIS 33.A NE2 THR 31.A OG1 no hydrogen 2.883 N/A HIS 33.A NE2 TYR 46.A OH no hydrogen 2.701 N/A VAL 35.A N TYR 7.A O no hydrogen 2.888 N/A SER 36.A N ASP 34.A OD2 no hydrogen 3.116 N/A SER 36.A OG ASP 34.A OD2 no hydrogen 2.738 N/A GLN 37.A N ASP 34.A O no hydrogen 2.862 N/A GLN 37.A NE2 SER 36.A OG no hydrogen 2.903 N/A ALA 38.A N VAL 35.A O no hydrogen 3.225 N/A GLU 39.A N ASP 42.A OD2 no hydrogen 2.959 N/A ASP 42.A N GLU 39.A O no hydrogen 3.008 N/A LEU 43.A N VAL 40.A O no hydrogen 3.473 N/A ASN 44.A N THR 41.A O no hydrogen 2.999 N/A ASP 45.A N ASP 42.A O no hydrogen 3.101 N/A TYR 46.A OH HIS 33.A NE2 no hydrogen 2.701 N/A LEU 49.A N LEU 81.A O no hydrogen 2.877 N/A ILE 50.A N GLY 4.A O no hydrogen 2.900 N/A ILE 51.A N ALA 83.A O no hydrogen 2.725 N/A GLY 52.A N PHE 6.A O no hydrogen 3.026 N/A CYS 53.A N PHE 85.A O no hydrogen 3.051 N/A CYS 53.A SG PRO 54.A O no hydrogen 3.455 N/A TRP 56.A N LYS 60.A O no hydrogen 2.887 N/A LYS 60.A N TRP 56.A O no hydrogen 2.845 N/A TRP 65.A N GLN 62.A O no hydrogen 2.844 N/A GLU 66.A N GLN 62.A O no hydrogen 2.955 N/A GLY 67.A N SER 63.A O no hydrogen 3.016 N/A LEU 68.A N TRP 65.A O no hydrogen 3.124 N/A TYR 69.A N GLU 66.A O no hydrogen 3.221 N/A GLU 71.A N GLU 71.A OE2 no hydrogen 2.736 N/A LEU 72.A N TYR 69.A O no hydrogen 3.249 N/A ASP 73.A N SER 70.A O no hydrogen 3.263 N/A ASP 74.A N GLU 71.A O no hydrogen 2.880 N/A VAL 75.A N LEU 72.A O no hydrogen 3.346 N/A PHE 77.A N ARG 111.A O no hydrogen 3.233 N/A ASN 78.A N ASP 76.A OD1 no hydrogen 3.032 N/A LYS 80.A N PHE 77.A O no hydrogen 3.128 N/A LYS 80.A NZ TYR 46.A O no hydrogen 2.749 N/A LYS 80.A NZ GLN 47.A OE1 no hydrogen 3.345 N/A LEU 81.A N GLN 47.A O no hydrogen 2.970 N/A VAL 82.A N LYS 114.A O no hydrogen 2.933 N/A ALA 83.A N LEU 49.A O no hydrogen 2.825 N/A PHE 85.A N ILE 51.A O no hydrogen 2.991 N/A GLY 86.A N LEU 140.A O no hydrogen 2.996 N/A THR 87.A OG1 THR 14.A OG1 no hydrogen 2.836 N/A GLY 88.A N LEU 142.A O no hydrogen 2.857 N/A GLN 90.A N ASP 143.A OD2 no hydrogen 2.967 N/A GLN 90.A NE2 ASP 143.A OD2 no hydrogen 3.087 N/A GLN 90.A NE2 GLN 147.A OE1 no hydrogen 2.921 N/A ILE 91.A N ASP 89.A OD1 no hydrogen 3.160 N/A GLY 92.A N ASP 89.A OD1 no hydrogen 2.924 N/A TYR 93.A N ASP 89.A O no hydrogen 3.106 N/A ASN 96.A N TYR 93.A O no hydrogen 3.356 N/A ASN 96.A ND2 ASP 99.A OD2 no hydrogen 2.831 N/A GLN 98.A NE2 GLY 86.A O no hydrogen 3.397 N/A GLN 98.A NE2 LEU 142.A O no hydrogen 3.210 N/A ALA 100.A N THR 55.A OG1 no hydrogen 2.999 N/A ILE 103.A N ASP 99.A O no hydrogen 2.939 N/A LEU 104.A N ALA 100.A O no hydrogen 2.935 N/A GLU 105.A N ILE 101.A O no hydrogen 3.001 N/A GLU 106.A N GLY 102.A O no hydrogen 3.122 N/A LYS 107.A N ILE 103.A O no hydrogen 3.467 N/A LYS 107.A NZ TYR 69.A O no hydrogen 3.230 N/A LYS 107.A NZ ASP 73.A OD1 no hydrogen 3.459 N/A LYS 107.A NZ ASP 73.A OD2 no hydrogen 3.317 N/A ILE 108.A N LEU 104.A O no hydrogen 2.889 N/A SER 109.A N GLU 105.A O no hydrogen 2.813 N/A SER 109.A OG GLU 105.A O no hydrogen 2.572 N/A SER 109.A OG GLU 105.A OE2 no hydrogen 3.152 N/A SER 109.A OG GLU 106.A O no hydrogen 3.546 N/A GLN 110.A N GLU 106.A O no hydrogen 3.265 N/A ARG 111.A N LYS 107.A O no hydrogen 3.223 N/A ARG 111.A N ILE 108.A O no hydrogen 3.062 N/A ARG 111.A NH1 VAL 75.A O no hydrogen 3.159 N/A GLY 112.A N SER 109.A O no hydrogen 3.283 N/A GLY 113.A N ILE 108.A O no hydrogen 3.092 N/A LYS 114.A N LYS 80.A O no hydrogen 3.086 N/A THR 115.A OG1 GLU 105.A OE2 no hydrogen 2.652 N/A VAL 116.A N VAL 82.A O no hydrogen 3.066 N/A GLY 117.A N GLU 165.A OE1 no hydrogen 3.172 N/A TRP 119.A N PHE 137.A O no hydrogen 3.078 N/A TRP 119.A NE1 TYR 124.A OH no hydrogen 2.826 N/A ASP 122.A N SER 120.A OG no hydrogen 3.153 N/A TYR 124.A N THR 121.A O no hydrogen 3.392 N/A TYR 124.A OH ALA 141.A O no hydrogen 2.651 N/A LYS 125.A N GLN 90.A OE1 no hydrogen 2.646 N/A ASN 127.A N ALA 94.A O no hydrogen 2.682 N/A ASN 127.A ND2 ASP 95.A OD1 no hydrogen 2.900 N/A ASP 128.A N ALA 94.A O no hydrogen 2.996 N/A SER 129.A OG PHE 97.A O no hydrogen 2.458 N/A LYS 130.A N ASP 99.A OD1 no hydrogen 2.808 N/A ALA 131.A N SER 129.A OG no hydrogen 3.050 N/A LEU 132.A N SER 129.A O no hydrogen 3.386 N/A ARG 133.A N LYS 136.A O no hydrogen 2.694 N/A ARG 133.A NE GLU 105.A OE1 no hydrogen 2.999 N/A ARG 133.A NH1 LYS 130.A O no hydrogen 2.778 N/A ARG 133.A NH1 LEU 132.A O no hydrogen 3.264 N/A ARG 133.A NH2 GLY 102.A O no hydrogen 3.053 N/A ARG 133.A NH2 GLU 105.A OE1 no hydrogen 2.656 N/A LYS 136.A N ARG 133.A O no hydrogen 2.993 N/A PHE 137.A N TRP 119.A O no hydrogen 2.768 N/A VAL 138.A N ALA 131.A O no hydrogen 2.706 N/A LEU 140.A N TYR 84.A O no hydrogen 2.836 N/A LEU 142.A N GLY 86.A O no hydrogen 2.914 N/A ASN 146.A N ASP 143.A OD1 no hydrogen 2.676 N/A ASN 146.A ND2 ASP 89.A OD1 no hydrogen 2.784 N/A ASN 146.A ND2 ASP 143.A OD1 no hydrogen 3.200 N/A ASN 146.A ND2 ASP 143.A OD2 no hydrogen 2.908 N/A GLN 147.A N ASP 143.A O no hydrogen 2.985 N/A GLN 147.A NE2 GLY 123.A O no hydrogen 2.899 N/A LEU 150.A N GLN 147.A O no hydrogen 3.084 N/A THR 151.A N SER 148.A O no hydrogen 3.495 N/A THR 151.A OG1 GLU 144.A OE1 no hydrogen 2.447 N/A THR 151.A OG1 SER 148.A O no hydrogen 3.566 N/A ARG 154.A N LEU 150.A O no hydrogen 3.090 N/A ARG 154.A NH2 GLN 147.A OE1 no hydrogen 2.898 N/A ILE 155.A N THR 151.A O no hydrogen 2.965 N/A LYS 156.A N ASP 152.A O no hydrogen 3.147 N/A SER 157.A N ASP 153.A O no hydrogen 3.023 N/A TRP 158.A N ARG 154.A O no hydrogen 3.021 N/A TRP 158.A NE1 GLY 117.A O no hydrogen 3.075 N/A VAL 159.A N ILE 155.A O no hydrogen 2.733 N/A ALA 160.A N LYS 156.A O no hydrogen 3.302 N/A GLN 161.A N SER 157.A O no hydrogen 3.248 N/A GLN 161.A NE2 TYR 118.A O no hydrogen 3.141 N/A GLN 161.A NE2 GLU 165.A OE2 no hydrogen 3.013 N/A LEU 162.A N TRP 158.A O no hydrogen 2.935 N/A LYS 163.A N VAL 159.A O no hydrogen 2.996 N/A LYS 163.A NZ GLU 24.A O no hydrogen 3.381 N/A GLU 165.A N GLN 161.A O no hydrogen 3.034 N/A PHE 166.A N LEU 162.A O no hydrogen 2.609 N/A LEU 168.A N LYS 163.A O no hydrogen 2.926 N/A