Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mle_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N THR 109.A O no hydrogen 3.119 N/A HIS 2.A N ASP 113.A O no hydrogen 3.185 N/A LEU 4.A N VAL 115.A O no hydrogen 3.001 N/A PHE 5.A N LYS 143.A O no hydrogen 2.609 N/A ILE 6.A N VAL 117.A O no hydrogen 2.758 N/A SER 7.A N LEU 145.A O no hydrogen 2.928 N/A THR 9.A N ILE 147.A O no hydrogen 2.805 N/A THR 11.A N ASN 10.A OD1 no hydrogen 2.755 N/A LYS 15.A NZ GLY 121.A O no hydrogen 3.469 N/A THR 16.A OG1 ASP 52.A OD2 no hydrogen 2.636 N/A THR 16.A OG1 GLU 118.A OE1 no hydrogen 2.642 N/A THR 16.A OG1 GLU 118.A OE2 no hydrogen 2.637 N/A CYS 18.A N GLY 14.A O no hydrogen 2.903 N/A CYS 18.A SG GLY 14.A O no hydrogen 3.415 N/A ALA 19.A N LYS 15.A O no hydrogen 2.776 N/A ARG 20.A N THR 16.A O no hydrogen 3.040 N/A ARG 20.A NE ASP 59.A OD2 no hydrogen 2.822 N/A ARG 20.A NH2 ASP 59.A OD1 no hydrogen 2.895 N/A ARG 20.A NH2 ASP 59.A OD2 no hydrogen 3.311 N/A LEU 21.A N THR 17.A O no hydrogen 2.930 N/A LEU 22.A N CYS 18.A O no hydrogen 2.869 N/A ALA 23.A N ALA 19.A O no hydrogen 2.909 N/A GLN 24.A N ARG 20.A O no hydrogen 2.826 N/A TYR 25.A N LEU 21.A O no hydrogen 3.083 N/A CYS 26.A N LEU 22.A O no hydrogen 2.886 N/A CYS 26.A SG LEU 22.A O no hydrogen 3.238 N/A ASN 27.A N ALA 23.A O no hydrogen 2.746 N/A ASN 27.A ND2 THR 33.A O no hydrogen 2.977 N/A ALA 28.A N GLN 24.A O no hydrogen 3.012 N/A CYS 29.A N TYR 25.A O no hydrogen 3.003 N/A CYS 29.A SG TYR 25.A O no hydrogen 3.495 N/A GLY 30.A N ASN 27.A O no hydrogen 3.158 N/A VAL 31.A N CYS 26.A O no hydrogen 2.853 N/A LYS 32.A N ASP 113.A OD2 no hydrogen 2.865 N/A THR 33.A N ASN 27.A OD1 no hydrogen 2.741 N/A THR 33.A OG1 VAL 31.A O no hydrogen 2.740 N/A ILE 34.A N LEU 114.A O no hydrogen 3.043 N/A LEU 35.A N ASN 60.A OD1 no hydrogen 2.887 N/A LEU 36.A N ILE 116.A O no hydrogen 2.750 N/A LYS 37.A N ILE 72.A O no hydrogen 3.083 N/A LYS 37.A NZ ASP 52.A OD2 no hydrogen 3.084 N/A LYS 37.A NZ GLU 118.A OE2 no hydrogen 2.968 N/A LYS 37.A NZ GLY 119.A O no hydrogen 2.793 N/A GLU 40.A N TYR 75.A O no hydrogen 2.890 N/A THR 41.A OG1 SER 81.A O no hydrogen 2.784 N/A GLY 42.A N LYS 79.A O no hydrogen 2.895 N/A VAL 43.A N TYR 77.A O no hydrogen 2.940 N/A ALA 46.A N ASN 44.A OD1 no hydrogen 3.223 N/A ILE 47.A N ASN 44.A O no hydrogen 3.046 N/A ASN 48.A N ASN 44.A O no hydrogen 2.973 N/A SER 50.A N ASN 48.A OD1 no hydrogen 3.072 N/A SER 51.A OG GLU 40.A OE1 no hydrogen 3.398 N/A SER 51.A OG HIS 54.A ND1 no hydrogen 2.504 N/A ASP 52.A N GLU 40.A OE2 no hydrogen 3.040 N/A ALA 53.A N GLU 40.A OE1 no hydrogen 3.025 N/A HIS 54.A N SER 51.A OG no hydrogen 3.142 N/A HIS 54.A ND1 SER 51.A OG no hydrogen 2.504 N/A LEU 55.A N SER 51.A O no hydrogen 2.991 N/A PHE 56.A N ASP 52.A O no hydrogen 2.949 N/A LEU 57.A N ALA 53.A O no hydrogen 2.723 N/A GLN 58.A N HIS 54.A O no hydrogen 3.176 N/A ASP 59.A N LEU 55.A O no hydrogen 3.253 N/A ASN 60.A N PHE 56.A O no hydrogen 2.789 N/A ASN 60.A ND2 LEU 35.A O no hydrogen 2.812 N/A ARG 61.A N LEU 57.A O no hydrogen 2.939 N/A ARG 61.A NE LEU 67.A O no hydrogen 2.906 N/A ARG 61.A NH1 LEU 67.A O no hydrogen 2.957 N/A LEU 62.A N ASP 59.A O no hydrogen 3.127 N/A LEU 63.A N ASN 60.A O no hydrogen 2.958 N/A ASP 64.A N ASN 60.A O no hydrogen 2.943 N/A ARG 65.A NH1 ARG 65.A O no hydrogen 3.245 N/A SER 66.A N ASP 64.A OD1 no hydrogen 2.766 N/A SER 66.A OG ASP 64.A OD1 no hydrogen 2.714 N/A SER 66.A OG ASP 64.A OD2 no hydrogen 3.326 N/A LEU 67.A N ASP 64.A O no hydrogen 3.193 N/A THR 68.A N ASP 71.A OD2 no hydrogen 2.937 N/A THR 68.A OG1 ASP 71.A OD2 no hydrogen 3.020 N/A ASP 71.A N THR 68.A O no hydrogen 2.840 N/A ILE 72.A N LEU 69.A O no hydrogen 2.965 N/A SER 73.A N LEU 69.A O no hydrogen 2.972 N/A SER 73.A OG LYS 37.A O no hydrogen 2.792 N/A PHE 74.A N PRO 38.A O no hydrogen 2.945 N/A TYR 75.A N PRO 38.A O no hydrogen 2.964 N/A ARG 76.A NE ASP 45.A OD2 no hydrogen 2.781 N/A ARG 76.A NH1 GLU 40.A OE1 no hydrogen 2.942 N/A ARG 76.A NH1 SER 73.A OG no hydrogen 2.918 N/A ARG 76.A NH2 GLU 40.A OE1 no hydrogen 3.564 N/A ARG 76.A NH2 ASP 45.A OD1 no hydrogen 2.918 N/A ARG 76.A NH2 ASP 45.A OD2 no hydrogen 3.535 N/A ARG 76.A NH2 SER 51.A OG no hydrogen 2.966 N/A TYR 77.A N GLU 40.A O no hydrogen 3.099 N/A HIS 78.A N GLU 90.A OE1 no hydrogen 2.958 N/A LYS 79.A N GLU 90.A OE2 no hydrogen 2.669 N/A LYS 79.A NZ GLU 89.A OE1 no hydrogen 3.495 N/A LYS 79.A NZ GLU 89.A OE2 no hydrogen 2.837 N/A SER 81.A OG ALA 82.A O no hydrogen 2.700 N/A LEU 84.A N PRO 126.A O no hydrogen 3.193 N/A ALA 86.A N ALA 82.A O no hydrogen 3.114 N/A GLN 87.A N PRO 83.A O no hydrogen 2.703 N/A GLN 87.A NE2 ASP 91.A O no hydrogen 2.962 N/A GLN 87.A NE2 PRO 92.A O no hydrogen 3.477 N/A GLN 88.A N LEU 84.A O no hydrogen 3.022 N/A GLU 89.A N ILE 85.A O no hydrogen 3.259 N/A GLU 90.A N ALA 86.A O no hydrogen 2.882 N/A ASP 91.A N GLN 87.A O no hydrogen 2.664 N/A ALA 94.A N ASP 91.A O no hydrogen 3.041 N/A ASP 97.A N TYR 75.A OH no hydrogen 3.170 N/A THR 98.A OG1 GLU 131.A OE1 no hydrogen 2.836 N/A THR 98.A OG1 GLU 131.A OE2 no hydrogen 2.977 N/A ASN 100.A N ASP 97.A OD1 no hydrogen 3.078 N/A LEU 101.A N ASP 97.A O no hydrogen 2.975 N/A THR 102.A N THR 98.A O no hydrogen 2.845 N/A THR 102.A OG1 THR 98.A O no hydrogen 2.765 N/A GLN 103.A N ASP 99.A O no hydrogen 3.122 N/A ARG 104.A N ASN 100.A O no hydrogen 3.105 N/A LEU 105.A N LEU 101.A O no hydrogen 2.892 N/A HIS 106.A N THR 102.A O no hydrogen 2.926 N/A ASN 107.A N GLN 103.A O no hydrogen 2.838 N/A PHE 108.A N LEU 105.A O no hydrogen 2.970 N/A THR 109.A N HIS 106.A O no hydrogen 2.762 N/A THR 109.A OG1 HIS 106.A O no hydrogen 2.659 N/A LYS 110.A N ASN 107.A O no hydrogen 3.164 N/A THR 111.A N PHE 108.A O no hydrogen 3.043 N/A THR 111.A OG1 PHE 108.A O no hydrogen 3.558 N/A TYR 112.A N PHE 108.A O no hydrogen 2.927 N/A LEU 114.A N LYS 32.A O no hydrogen 3.047 N/A VAL 115.A N HIS 2.A O no hydrogen 2.828 N/A ILE 116.A N ILE 34.A O no hydrogen 2.950 N/A VAL 117.A N LEU 4.A O no hydrogen 2.812 N/A GLU 118.A N LEU 36.A O no hydrogen 2.755 N/A GLY 119.A N ILE 6.A O no hydrogen 2.924 N/A ILE 127.A N GLU 131.A O no hydrogen 2.821 N/A THR 128.A N GLU 131.A O no hydrogen 2.977 N/A THR 128.A OG1 GLU 131.A OE1 no hydrogen 3.480 N/A GLU 130.A N THR 128.A OG1 no hydrogen 3.349 N/A GLU 131.A N THR 128.A O no hydrogen 3.223 N/A ASN 132.A N ASP 135.A OD2 no hydrogen 2.860 N/A MET 133.A N VAL 125.A O no hydrogen 3.009 N/A LEU 134.A N LEU 123.A O no hydrogen 2.883 N/A ASP 135.A N ASN 132.A OD1 no hydrogen 2.906 N/A PHE 136.A N ASN 132.A O no hydrogen 2.985 N/A ALA 137.A N MET 133.A O no hydrogen 2.949 N/A LEU 138.A N LEU 134.A O no hydrogen 2.936 N/A LYS 139.A N ASP 135.A O no hydrogen 2.874 N/A LYS 139.A NZ THR 98.A OG1 no hydrogen 2.751 N/A LYS 139.A NZ ASP 99.A OD1 no hydrogen 2.672 N/A LYS 139.A NZ GLU 131.A OE2 no hydrogen 3.495 N/A LEU 140.A N PHE 136.A O no hydrogen 2.916 N/A LYS 141.A N LEU 138.A O no hydrogen 2.768 N/A ALA 142.A N ALA 137.A O no hydrogen 3.250 N/A LYS 143.A N MET 3.A O no hydrogen 2.989 N/A LYS 143.A NZ PHE 217.A O no hydrogen 3.102 N/A LYS 143.A NZ LYS 220.A O no hydrogen 2.374 N/A MET 144.A N ASP 171.A O no hydrogen 3.015 N/A LEU 145.A N PHE 5.A O no hydrogen 2.705 N/A LEU 146.A N LYS 173.A O no hydrogen 2.887 N/A ILE 147.A N SER 7.A O no hydrogen 2.689 N/A SER 148.A N ALA 175.A O no hydrogen 2.840 N/A SER 148.A OG HIS 149.A O no hydrogen 2.722 N/A HIS 149.A NE2 ASP 157.A OD2 no hydrogen 2.693 N/A ASN 151.A N HIS 149.A ND1 no hydrogen 3.083 N/A LEU 154.A N ASN 151.A O no hydrogen 2.937 N/A ASP 157.A N GLY 153.A O no hydrogen 3.290 N/A CYS 158.A N LEU 154.A O no hydrogen 2.681 N/A CYS 158.A SG SER 148.A OG no hydrogen 3.409 N/A CYS 158.A SG LEU 154.A O no hydrogen 3.349 N/A LEU 159.A N ILE 155.A O no hydrogen 2.867 N/A LEU 160.A N ASN 156.A O no hydrogen 2.879 N/A ASN 161.A N ASP 157.A O no hydrogen 3.237 N/A ASN 161.A ND2 ASP 157.A O no hydrogen 2.626 N/A ASP 162.A N CYS 158.A O no hydrogen 2.752 N/A PHE 163.A N LEU 159.A O no hydrogen 2.850 N/A LEU 164.A N LEU 160.A O no hydrogen 3.148 N/A LEU 165.A N ASN 161.A O no hydrogen 2.865 N/A LYS 166.A N ASP 162.A O no hydrogen 2.899 N/A SER 167.A N LEU 164.A O no hydrogen 3.248 N/A SER 167.A OG PHE 163.A O no hydrogen 2.939 N/A HIS 168.A N LEU 165.A O no hydrogen 2.776 N/A HIS 168.A ND1 LEU 164.A O no hydrogen 2.883 N/A LEU 170.A N HIS 168.A O no hydrogen 3.007 N/A TYR 172.A OH ASP 162.A OD1 no hydrogen 2.569 N/A LYS 173.A N MET 144.A O no hydrogen 2.845 N/A ALA 175.A N LEU 146.A O no hydrogen 2.938 N/A ILE 176.A N VAL 205.A O no hydrogen 2.910 N/A ASN 177.A N SER 148.A O no hydrogen 2.792 N/A ASN 177.A ND2 ALA 13.A O no hydrogen 2.939 N/A LEU 178.A N GLN 208.A OE1 no hydrogen 2.864 N/A LYS 179.A N ASP 150.A OD2 no hydrogen 2.931 N/A LYS 179.A NZ ASP 150.A OD1 no hydrogen 2.786 N/A LYS 179.A NZ ASN 177.A O no hydrogen 3.219 N/A ASN 182.A N LYS 179.A O no hydrogen 3.353 N/A ASN 182.A ND2 ASP 150.A O no hydrogen 3.092 N/A ASN 182.A ND2 ASP 150.A OD2 no hydrogen 2.738 N/A THR 183.A N ASN 181.A O no hydrogen 3.151 N/A PHE 185.A N ASN 182.A OD1 no hydrogen 3.040 N/A SER 187.A N ALA 184.A O no hydrogen 3.131 N/A ILE 188.A N ALA 184.A O no hydrogen 2.956 N/A SER 189.A N PHE 185.A O no hydrogen 3.114 N/A LEU 190.A N PHE 185.A O no hydrogen 2.997 N/A ILE 193.A N SER 189.A O no hydrogen 3.348 N/A GLU 194.A N LEU 190.A O no hydrogen 2.885 N/A LEU 195.A N PRO 191.A O no hydrogen 2.999 N/A PHE 196.A N TYR 192.A O no hydrogen 2.717 N/A ASN 197.A N ILE 193.A O no hydrogen 2.790 N/A ASN 197.A ND2 ILE 204.A O no hydrogen 2.894 N/A THR 198.A N GLU 194.A O no hydrogen 3.116 N/A THR 198.A N LEU 195.A O no hydrogen 3.108 N/A THR 198.A OG1 LEU 195.A O no hydrogen 2.705 N/A ARG 199.A N PHE 196.A O no hydrogen 3.148 N/A ASN 202.A N SER 200.A OG no hydrogen 3.154 N/A ASN 202.A ND2 TYR 172.A O no hydrogen 3.407 N/A ILE 204.A N ASN 197.A OD1 no hydrogen 2.729 N/A VAL 205.A N ILE 174.A O no hydrogen 3.109 N/A PHE 207.A N ILE 176.A O no hydrogen 2.911 N/A GLN 208.A N GLN 208.A OE1 no hydrogen 2.890 N/A GLN 208.A NE2 ASN 177.A OD1 no hydrogen 2.848 N/A GLN 209.A N ILE 206.A O no hydrogen 2.928 N/A SER 210.A N PHE 207.A O no hydrogen 2.926 N/A SER 210.A OG ILE 206.A O no hydrogen 2.743 N/A LEU 214.A N SER 210.A O no hydrogen 2.672 N/A MET 215.A N LEU 211.A O no hydrogen 2.837 N/A SER 216.A N LYS 212.A O no hydrogen 3.099 N/A SER 216.A OG LYS 212.A O no hydrogen 3.556 N/A PHE 217.A N VAL 213.A O no hydrogen 2.957 N/A ALA 218.A N LEU 214.A O no hydrogen 2.959 N/A LEU 219.A N MET 215.A O no hydrogen 3.003 N/A LEU 219.A N SER 216.A O no hydrogen 3.181 N/A LYS 220.A N SER 216.A O no hydrogen 2.840 N/A LYS 220.A N PHE 217.A O no hydrogen 3.402 N/A