Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ule_F.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 8.A N LEU 4.A O no hydrogen 2.970 N/A SER 9.A N ARG 5.A O no hydrogen 3.057 N/A SER 9.A OG ARG 5.A O no hydrogen 2.827 N/A ALA 10.A N PRO 6.A O no hydrogen 3.121 N/A VAL 11.A N TYR 7.A O no hydrogen 2.977 N/A ARG 12.A N LEU 8.A O no hydrogen 2.789 N/A ARG 12.A NH1 ASP 132.A OD1 no hydrogen 2.543 N/A ALA 13.A N SER 9.A O no hydrogen 3.065 N/A THR 14.A N ALA 10.A O no hydrogen 3.064 N/A THR 14.A OG1 ALA 10.A O no hydrogen 2.743 N/A LEU 15.A N VAL 11.A O no hydrogen 2.952 N/A GLN 16.A N ARG 12.A O no hydrogen 3.070 N/A ALA 17.A N ALA 13.A O no hydrogen 3.223 N/A ALA 18.A N THR 14.A O no hydrogen 3.053 N/A LEU 19.A N LEU 15.A O no hydrogen 2.811 N/A CYS 20.A SG GLN 16.A O no hydrogen 3.610 N/A CYS 20.A SG ALA 17.A O no hydrogen 3.732 N/A GLU 22.A N ILE 66.A O no hydrogen 3.231 N/A SER 26.A N HIS 32.A O no hydrogen 2.669 N/A VAL 28.A N SER 26.A OG no hydrogen 3.245 N/A VAL 29.A N SER 26.A OG no hydrogen 3.096 N/A ARG 31.A NE GLU 30.A OE1 no hydrogen 3.519 N/A ARG 31.A NE GLU 30.A OE2 no hydrogen 2.411 N/A ARG 31.A NH2 GLU 30.A OE1 no hydrogen 3.507 N/A HIS 32.A N VAL 29.A O no hydrogen 3.058 N/A GLU 36.A N ASN 67.A OD1 no hydrogen 2.791 N/A GLU 38.A N PRO 35.A O no hydrogen 2.846 N/A VAL 39.A N PRO 35.A O no hydrogen 3.331 N/A ARG 40.A N GLU 36.A O no hydrogen 2.823 N/A ARG 40.A NH1 VAL 37.A O no hydrogen 3.167 N/A SER 42.A OG GLN 27.A OE1 no hydrogen 3.305 N/A GLU 44.A N GLU 44.A OE2 no hydrogen 2.735 N/A LEU 45.A N SER 42.A O no hydrogen 2.690 N/A LEU 46.A N LYS 43.A O no hydrogen 3.157 N/A LEU 47.A N GLY 64.A O no hydrogen 2.990 N/A VAL 50.A N ILE 62.A O no hydrogen 3.091 N/A ILE 52.A N VAL 60.A O no hydrogen 2.998 N/A ARG 54.A N GLU 58.A O no hydrogen 2.791 N/A ARG 54.A NH1 GLU 58.A OE1 no hydrogen 2.824 N/A ARG 54.A NH1 GLU 58.A OE2 no hydrogen 3.564 N/A ASN 55.A ND2 GLU 58.A OE2 no hydrogen 3.085 N/A LYS 57.A N ASN 55.A OD1 no hydrogen 2.663 N/A GLU 58.A N ASN 55.A OD1 no hydrogen 2.760 N/A LYS 59.A NZ TYR 111.A OH no hydrogen 3.382 N/A VAL 60.A N ILE 52.A O no hydrogen 2.903 N/A LEU 61.A N SER 72.A O no hydrogen 2.830 N/A ILE 62.A N VAL 50.A O no hydrogen 2.866 N/A GLU 63.A N ARG 70.A O no hydrogen 2.935 N/A SER 65.A OG ASN 67.A OD1 no hydrogen 3.419 N/A SER 65.A OG SER 68.A O no hydrogen 2.600 N/A SER 65.A OG SER 68.A OG no hydrogen 3.001 N/A ILE 66.A N LEU 45.A O no hydrogen 3.036 N/A ASN 67.A ND2 PHE 24.A O no hydrogen 3.700 N/A ASN 67.A ND2 LYS 34.A O no hydrogen 2.785 N/A SER 68.A OG SER 65.A OG no hydrogen 3.001 N/A SER 68.A OG ASN 67.A OD1 no hydrogen 3.138 N/A VAL 69.A N ILE 117.A O no hydrogen 2.860 N/A ARG 70.A N GLU 63.A O no hydrogen 2.972 N/A ARG 70.A NE GLU 63.A OE1 no hydrogen 2.900 N/A ARG 70.A NH1 GLU 38.A OE2 no hydrogen 3.146 N/A ARG 70.A NH2 GLU 63.A OE1 no hydrogen 3.501 N/A ARG 70.A NH2 GLU 63.A OE2 no hydrogen 3.196 N/A VAL 71.A N PHE 115.A O no hydrogen 2.842 N/A SER 72.A N LEU 61.A O no hydrogen 2.946 N/A SER 72.A OG SER 114.A OG no hydrogen 2.694 N/A ILE 73.A N ILE 113.A O no hydrogen 2.846 N/A ALA 74.A N LYS 59.A O no hydrogen 2.819 N/A VAL 75.A N ASP 112.A OD2 no hydrogen 2.593 N/A LYS 76.A NZ GLU 82.A OE1 no hydrogen 3.194 N/A GLN 77.A NE2 VAL 75.A O no hydrogen 2.979 N/A GLN 77.A NE2 ASP 112.A OD1 no hydrogen 3.034 N/A ALA 78.A N GLU 82.A OE1 no hydrogen 2.678 N/A GLU 82.A N ASP 79.A OD1 no hydrogen 2.782 N/A LYS 83.A N ASP 79.A O no hydrogen 2.935 N/A ILE 84.A N GLU 80.A O no hydrogen 3.069 N/A LEU 85.A N ILE 81.A O no hydrogen 2.973 N/A CYS 86.A N GLU 82.A O no hydrogen 3.017 N/A HIS 87.A N LYS 83.A O no hydrogen 3.104 N/A LYS 88.A N ILE 84.A O no hydrogen 2.944 N/A PHE 89.A N LEU 85.A O no hydrogen 2.918 N/A MET 90.A N CYS 86.A O no hydrogen 2.909 N/A ARG 91.A N HIS 87.A O no hydrogen 3.047 N/A PHE 92.A N LYS 88.A O no hydrogen 2.928 N/A MET 93.A N PHE 89.A O no hydrogen 3.108 N/A MET 94.A N MET 90.A O no hydrogen 3.017 N/A MET 95.A N ARG 91.A O no hydrogen 2.939 N/A ARG 96.A N MET 93.A O no hydrogen 2.916 N/A ARG 96.A NH1 PHE 92.A O no hydrogen 2.676 N/A ALA 97.A N MET 94.A O no hydrogen 3.037 N/A ASN 99.A N ARG 96.A O no hydrogen 3.121 N/A PHE 100.A N ARG 96.A O no hydrogen 3.205 N/A LEU 103.A N PHE 100.A O no hydrogen 2.749 N/A ARG 104.A N SER 114.A O no hydrogen 2.951 N/A ARG 104.A NE GLU 38.A OE2 no hydrogen 2.754 N/A ARG 104.A NH1 LYS 106.A O no hydrogen 2.906 N/A ARG 104.A NH2 GLU 38.A OE1 no hydrogen 2.691 N/A ARG 104.A NH2 GLU 38.A OE2 no hydrogen 3.410 N/A ARG 105.A NH2 GLU 98.A OE2 no hydrogen 2.808 N/A VAL 108.A N SER 114.A OG no hydrogen 2.985 N/A TYR 111.A N VAL 108.A O no hydrogen 3.097 N/A ASP 112.A N ILE 73.A O no hydrogen 3.062 N/A SER 114.A OG SER 72.A OG no hydrogen 2.694 N/A PHE 115.A N VAL 71.A O no hydrogen 2.582 N/A LEU 116.A N ILE 102.A O no hydrogen 2.863 N/A ILE 117.A N VAL 69.A O no hydrogen 2.995 N/A THR 118.A N HIS 121.A ND1 no hydrogen 2.826 N/A ASN 119.A N ASN 67.A O no hydrogen 3.060 N/A ASN 119.A ND2 GLU 123.A OE2 no hydrogen 2.857 N/A PHE 120.A N THR 118.A OG1 no hydrogen 3.256 N/A THR 122.A N THR 118.A O no hydrogen 3.017 N/A THR 122.A OG1 THR 118.A O no hydrogen 3.420 N/A THR 122.A OG1 ASN 119.A O no hydrogen 3.094 N/A GLN 124.A N PHE 120.A O no hydrogen 3.169 N/A LYS 129.A N TYR 126.A O no hydrogen 2.787 N/A LEU 130.A N TYR 126.A O no hydrogen 3.159 N/A VAL 131.A N LYS 127.A O no hydrogen 2.976 N/A ASP 132.A N HIS 128.A O no hydrogen 3.085 N/A PHE 133.A N LYS 129.A O no hydrogen 2.829 N/A VAL 134.A N LEU 130.A O no hydrogen 3.085 N/A ILE 135.A N VAL 131.A O no hydrogen 3.171 N/A HIS 136.A N ASP 132.A O no hydrogen 2.716 N/A PHE 137.A N PHE 133.A O no hydrogen 2.671 N/A MET 138.A N VAL 134.A O no hydrogen 2.900 N/A GLU 139.A N ILE 135.A O no hydrogen 3.112 N/A GLU 140.A N HIS 136.A O no hydrogen 2.913 N/A ILE 141.A N PHE 137.A O no hydrogen 3.073 N/A LYS 143.A N GLU 139.A O no hydrogen 3.496 N/A LYS 143.A NZ GLU 140.A OE1 no hydrogen 3.248 N/A GLU 144.A N GLU 140.A O no hydrogen 2.851 N/A ILE 145.A N ILE 141.A O no hydrogen 2.972 N/A SER 146.A N ASP 142.A O no hydrogen 2.921 N/A SER 146.A OG ASP 142.A O no hydrogen 3.306 N/A GLU 147.A N LYS 143.A O no hydrogen 2.845 N/A MET 148.A N GLU 144.A O no hydrogen 2.880 N/A LYS 149.A N ILE 145.A O no hydrogen 3.202 N/A LYS 149.A NZ ASP 79.A OD2 no hydrogen 2.436 N/A LYS 149.A NZ GLU 82.A OE2 no hydrogen 3.217 N/A LEU 150.A N SER 146.A O no hydrogen 2.968 N/A SER 151.A N GLU 147.A O no hydrogen 2.767 N/A VAL 152.A N MET 148.A O no hydrogen 2.823 N/A ASN 153.A N LYS 149.A O no hydrogen 3.109 N/A ALA 154.A N LEU 150.A O no hydrogen 2.758 N/A ARG 155.A N SER 151.A O no hydrogen 3.006 N/A ALA 156.A N VAL 152.A O no hydrogen 2.794 N/A ARG 157.A N ASN 153.A O no hydrogen 3.021 N/A ILE 158.A N ALA 154.A O no hydrogen 3.316 N/A VAL 159.A N ARG 155.A O no hydrogen 3.073 N/A ALA 160.A N ALA 156.A O no hydrogen 3.023 N/A GLU 161.A N ARG 157.A O no hydrogen 2.898 N/A GLU 162.A N ILE 158.A O no hydrogen 2.886 N/A PHE 163.A N VAL 159.A O no hydrogen 3.418 N/A LEU 164.A N ALA 160.A O no hydrogen 3.021 N/A LYS 165.A N GLU 161.A O no hydrogen 2.780 N/A LYS 165.A NZ GLU 162.A OE1 no hydrogen 3.404 N/A ASN 166.A N PHE 163.A O no hydrogen 3.316 N/A ASN 166.A ND2 GLU 162.A O no hydrogen 2.542 N/A PHE 167.A N LEU 164.A O no hydrogen 3.326 N/A