Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xko_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 GLU 3.A OE2 no hydrogen 2.810 N/A GLU 3.A N ILE 158.A O no hydrogen 3.055 N/A PHE 5.A N PHE 156.A O no hydrogen 3.005 N/A PHE 7.A N GLY 154.A O no hydrogen 2.968 N/A GLN 8.A N GLY 93.A O no hydrogen 3.112 N/A GLN 8.A NE2 ILE 95.A O no hydrogen 3.435 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.287 N/A ILE 11.A N GLN 8.A O no hydrogen 2.839 N/A ASN 12.A N GLN 8.A O no hydrogen 3.287 N/A ASN 12.A ND2 PHE 7.A O no hydrogen 3.362 N/A GLN 13.A N ALA 9.A O no hydrogen 3.101 N/A LEU 14.A N GLU 10.A O no hydrogen 2.807 N/A MET 15.A N ILE 11.A O no hydrogen 2.706 N/A SER 16.A N ASN 12.A O no hydrogen 2.609 N/A SER 16.A OG ASN 12.A O no hydrogen 3.100 N/A LEU 17.A N GLN 13.A O no hydrogen 2.763 N/A ILE 18.A N LEU 14.A O no hydrogen 2.924 N/A ILE 19.A N MET 15.A O no hydrogen 2.771 N/A ASN 20.A N SER 16.A O no hydrogen 2.654 N/A THR 21.A OG1 LEU 17.A O no hydrogen 3.073 N/A TYR 23.A OH ASP 113.A OD2 no hydrogen 2.565 N/A ASN 25.A ND2 TYR 23.A OH no hydrogen 3.166 N/A LYS 26.A NZ LEU 129.A O no hydrogen 3.401 N/A VAL 28.A N ASN 25.A O no hydrogen 3.392 N/A PHE 29.A N LYS 26.A O no hydrogen 3.038 N/A LEU 30.A N GLU 27.A O no hydrogen 3.150 N/A ARG 31.A NE GLU 32.A OE2 no hydrogen 3.260 N/A ARG 31.A NH1 GLU 32.A OE2 no hydrogen 2.998 N/A GLU 32.A N VAL 28.A O no hydrogen 2.887 N/A LEU 33.A N PHE 29.A O no hydrogen 2.831 N/A ILE 34.A N LEU 30.A O no hydrogen 2.848 N/A SER 35.A N ARG 31.A O no hydrogen 2.988 N/A ASN 36.A N GLU 32.A O no hydrogen 2.953 N/A ALA 37.A N LEU 33.A O no hydrogen 2.994 N/A SER 38.A N ILE 34.A O no hydrogen 2.976 N/A ASP 39.A N SER 35.A O no hydrogen 2.963 N/A ALA 40.A N ASN 36.A O no hydrogen 3.010 N/A LEU 41.A N ALA 37.A O no hydrogen 3.024 N/A ASP 42.A N SER 38.A O no hydrogen 2.842 N/A LYS 43.A N ASP 39.A O no hydrogen 2.996 N/A ILE 44.A N ALA 40.A O no hydrogen 3.115 N/A ARG 45.A N LEU 41.A O no hydrogen 2.975 N/A ARG 45.A NH1 TYR 202.A OH no hydrogen 3.194 N/A TYR 46.A N ASP 42.A O no hydrogen 2.908 N/A GLN 47.A N LYS 43.A O no hydrogen 3.159 N/A SER 48.A N ILE 44.A O no hydrogen 2.979 N/A SER 48.A OG ARG 45.A O no hydrogen 2.830 N/A LEU 49.A N TYR 46.A O no hydrogen 3.278 N/A THR 50.A N GLN 47.A O no hydrogen 3.223 N/A ASP 51.A N GLN 47.A O no hydrogen 2.966 N/A SER 53.A N ASP 51.A OD1 no hydrogen 3.251 N/A SER 53.A OG ASP 51.A OD1 no hydrogen 2.670 N/A SER 53.A OG ASP 51.A OD2 no hydrogen 2.839 N/A VAL 54.A N ASP 51.A O no hydrogen 3.366 N/A GLU 56.A N SER 53.A O no hydrogen 3.255 N/A SER 57.A OG VAL 54.A O no hydrogen 3.539 N/A SER 57.A OG ASN 141.A OD1 no hydrogen 2.754 N/A LYS 58.A N LEU 55.A O no hydrogen 2.926 N/A GLU 62.A N SER 79.A OG no hydrogen 3.060 N/A ILE 63.A N PRO 203.A O no hydrogen 3.004 N/A LYS 64.A N ILE 77.A O no hydrogen 2.662 N/A ILE 65.A N SER 205.A O no hydrogen 2.828 N/A ILE 66.A N THR 75.A O no hydrogen 2.763 N/A ASP 68.A N THR 73.A O no hydrogen 2.797 N/A LYS 69.A NZ ASP 185.A OD1 no hydrogen 3.341 N/A ALA 71.A N ASP 68.A OD1 no hydrogen 2.960 N/A LYS 72.A N LYS 69.A O no hydrogen 3.351 N/A LYS 72.A NZ GLU 178.A OE1 no hydrogen 3.541 N/A LYS 72.A NZ GLU 178.A OE2 no hydrogen 2.842 N/A THR 73.A N ASP 68.A O no hydrogen 3.067 N/A LEU 74.A N LEU 174.A O no hydrogen 3.040 N/A THR 75.A N ILE 66.A O no hydrogen 2.873 N/A LEU 76.A N ILE 172.A O no hydrogen 2.880 N/A ILE 77.A N LYS 64.A O no hydrogen 2.754 N/A ASP 78.A N THR 170.A O no hydrogen 2.930 N/A SER 79.A N GLU 62.A O no hydrogen 3.125 N/A SER 79.A OG GLU 60.A O no hydrogen 2.348 N/A GLY 80.A N ASP 78.A OD1 no hydrogen 2.744 N/A ILE 81.A N ALA 40.A O no hydrogen 3.268 N/A MET 83.A N SER 138.A OG no hydrogen 2.474 N/A THR 84.A N ASP 87.A OD2 no hydrogen 2.996 N/A LYS 85.A N ASP 143.A OD2 no hydrogen 3.193 N/A LYS 85.A NZ GLU 3.A OE1 no hydrogen 2.906 N/A LYS 85.A NZ GLU 3.A OE2 no hydrogen 3.197 N/A ASP 87.A N THR 84.A OG1 no hydrogen 3.120 N/A MET 88.A N THR 84.A O no hydrogen 3.036 N/A MET 88.A N LYS 85.A O no hydrogen 3.163 N/A VAL 89.A N LYS 85.A O no hydrogen 3.281 N/A LYS 90.A N THR 86.A O no hydrogen 2.967 N/A ASN 91.A N ASP 87.A O no hydrogen 2.703 N/A LEU 92.A N MET 88.A O no hydrogen 2.780 N/A THR 94.A N LYS 90.A O no hydrogen 3.189 N/A THR 94.A OG1 LYS 90.A O no hydrogen 2.463 N/A THR 100.A N ARG 97.A O no hydrogen 3.152 N/A THR 100.A OG1 PHE 120.A O no hydrogen 3.126 N/A ASN 102.A N SER 98.A O no hydrogen 3.181 N/A PHE 103.A N GLY 99.A O no hydrogen 3.102 N/A MET 104.A N THR 100.A O no hydrogen 3.200 N/A GLU 105.A N ASN 102.A O no hydrogen 2.759 N/A GLN 106.A N ASN 102.A O no hydrogen 3.313 N/A LEU 107.A N PHE 103.A O no hydrogen 2.911 N/A GLN 108.A N MET 104.A O no hydrogen 3.084 N/A GLN 108.A NE2 GLN 13.A OE1 no hydrogen 3.647 N/A GLN 108.A NE2 MET 104.A O no hydrogen 3.658 N/A SER 109.A N GLU 105.A O no hydrogen 3.054 N/A SER 109.A OG GLU 105.A O no hydrogen 3.117 N/A SER 109.A OG GLN 106.A O no hydrogen 3.099 N/A GLY 110.A N LEU 107.A O no hydrogen 3.026 N/A ALA 112.A N GLN 106.A O no hydrogen 2.789 N/A SER 115.A N ASP 113.A OD2 no hydrogen 3.435 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.078 N/A MET 116.A N ASP 113.A O no hydrogen 3.292 N/A ILE 117.A N ILE 114.A O no hydrogen 2.951 N/A GLN 119.A N MET 116.A O no hydrogen 3.012 N/A PHE 120.A N ILE 117.A O no hydrogen 3.491 N/A GLY 121.A N GLY 118.A O no hydrogen 3.349 N/A VAL 122.A N ILE 117.A O no hydrogen 3.401 N/A TYR 125.A N VAL 122.A O no hydrogen 3.207 N/A TYR 125.A OH LEU 92.A O no hydrogen 2.569 N/A SER 126.A N GLY 123.A O no hydrogen 3.229 N/A SER 126.A OG GLY 123.A O no hydrogen 2.722 N/A ALA 127.A N PHE 124.A O no hydrogen 2.987 N/A TYR 128.A N TYR 125.A O no hydrogen 3.084 N/A TYR 128.A OH SER 150.A O no hydrogen 3.301 N/A LEU 129.A N SER 126.A O no hydrogen 3.176 N/A VAL 130.A N ALA 127.A O no hydrogen 3.085 N/A ALA 131.A N ALA 127.A O no hydrogen 3.103 N/A ASP 132.A N HIS 175.A O no hydrogen 3.079 N/A VAL 134.A N SER 150.A O no hydrogen 3.294 N/A ILE 135.A N VAL 173.A O no hydrogen 2.859 N/A VAL 136.A N TRP 148.A O no hydrogen 2.697 N/A HIS 137.A N LYS 171.A O no hydrogen 2.700 N/A HIS 137.A ND1 ASP 161.A OD2 no hydrogen 2.801 N/A SER 138.A N TYR 146.A O no hydrogen 2.902 N/A SER 138.A OG GLY 169.A O no hydrogen 3.297 N/A SER 138.A OG THR 170.A OG1 no hydrogen 3.004 N/A LYS 139.A N GLY 169.A O no hydrogen 2.693 N/A LYS 139.A NZ ASN 140.A O no hydrogen 2.886 N/A LYS 139.A NZ ASP 143.A O no hydrogen 3.069 N/A ASN 140.A ND2 ILE 81.A O no hydrogen 2.938 N/A ASN 140.A ND2 GLY 82.A O no hydrogen 3.204 N/A ASN 141.A ND2 VAL 54.A O no hydrogen 2.853 N/A ASP 142.A N ASN 140.A OD1 no hydrogen 2.830 N/A ASP 143.A N ASN 140.A O no hydrogen 3.107 N/A GLN 145.A NE2 ASP 161.A OD2 no hydrogen 2.685 N/A GLN 145.A NE2 GLU 164.A O no hydrogen 3.206 N/A TYR 146.A N SER 138.A O no hydrogen 3.069 N/A VAL 147.A N ALA 159.A O no hydrogen 2.838 N/A TRP 148.A N VAL 136.A O no hydrogen 2.675 N/A GLU 149.A N THR 157.A O no hydrogen 3.003 N/A SER 150.A N VAL 134.A O no hydrogen 3.403 N/A SER 150.A OG GLU 155.A O no hydrogen 2.831 N/A ALA 152.A N SER 150.A OG no hydrogen 3.035 N/A PHE 156.A N PHE 5.A O no hydrogen 2.995 N/A THR 157.A N GLU 149.A O no hydrogen 2.837 N/A ILE 158.A N GLU 3.A O no hydrogen 2.992 N/A ALA 159.A N VAL 147.A O no hydrogen 2.983 N/A ASP 161.A N GLN 145.A O no hydrogen 2.678 N/A THR 163.A N ASP 161.A OD1 no hydrogen 3.193 N/A THR 163.A OG1 ASP 161.A OD1 no hydrogen 2.609 N/A THR 163.A OG1 ASP 161.A OD2 no hydrogen 3.027 N/A LEU 166.A N GLN 145.A OE1 no hydrogen 2.879 N/A ARG 168.A NE GLY 80.A O no hydrogen 3.180 N/A ARG 168.A NH1 SER 57.A OG no hydrogen 3.013 N/A ARG 168.A NH1 LYS 58.A O no hydrogen 2.948 N/A ARG 168.A NH2 LYS 58.A O no hydrogen 2.874 N/A ARG 168.A NH2 SER 79.A O no hydrogen 2.851 N/A GLY 169.A N LYS 139.A O no hydrogen 2.818 N/A THR 170.A N ASP 78.A O no hydrogen 3.090 N/A THR 170.A OG1 SER 138.A OG no hydrogen 3.004 N/A LYS 171.A N HIS 137.A O no hydrogen 2.642 N/A ILE 172.A N LEU 76.A O no hydrogen 2.809 N/A VAL 173.A N ILE 135.A O no hydrogen 2.737 N/A LEU 174.A N LEU 74.A O no hydrogen 2.883 N/A HIS 175.A N THR 133.A O no hydrogen 2.851 N/A MET 176.A N LYS 72.A O no hydrogen 2.999 N/A LYS 177.A N VAL 130.A O no hydrogen 2.734 N/A LYS 177.A NZ ASP 132.A OD2 no hydrogen 2.796 N/A GLN 180.A N LYS 177.A O no hydrogen 3.074 N/A ASP 182.A N ASP 182.A OD2 no hydrogen 2.514 N/A LEU 184.A N LEU 181.A O no hydrogen 3.014 N/A ASP 185.A N ASP 182.A O no hydrogen 3.086 N/A LYS 188.A NZ ASP 182.A OD1 no hydrogen 3.345 N/A ILE 189.A N ASP 185.A O no hydrogen 2.984 N/A LYS 190.A N GLU 186.A O no hydrogen 3.024 N/A ASN 191.A N THR 187.A O no hydrogen 3.061 N/A LEU 192.A N LYS 188.A O no hydrogen 3.042 N/A VAL 193.A N ILE 189.A O no hydrogen 2.841 N/A LYS 194.A N LYS 190.A O no hydrogen 2.964 N/A LYS 195.A N ASN 191.A O no hydrogen 2.830 N/A HIS 196.A N LEU 192.A O no hydrogen 2.955 N/A HIS 196.A NE2 GLU 27.A OE2 no hydrogen 2.788 N/A SER 197.A N LYS 194.A O no hydrogen 3.465 N/A SER 197.A OG VAL 193.A O no hydrogen 2.681 N/A ILE 200.A N SER 197.A O no hydrogen 3.295 N/A TYR 202.A OH ASP 42.A OD1 no hydrogen 2.514 N/A SER 205.A N ILE 63.A O no hydrogen 2.851 N/A LEU 207.A N ILE 65.A O no hydrogen 2.927 N/A