Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4d42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 30.A O no hydrogen 2.916 N/A LYS 6.A N LEU 3.A O no hydrogen 2.982 N/A THR 7.A N ASP 87.A OD2 no hydrogen 2.946 N/A TYR 8.A N LYS 33.A O no hydrogen 3.086 N/A TYR 8.A OH LEU 233.A O no hydrogen 2.787 N/A VAL 9.A N GLY 88.A O no hydrogen 3.024 N/A ILE 10.A N VAL 35.A O no hydrogen 2.847 N/A MET 11.A N TYR 90.A O no hydrogen 2.878 N/A GLY 12.A N THR 37.A O no hydrogen 3.460 N/A ALA 14.A N SER 18.A OG no hydrogen 2.824 N/A ASN 15.A N SER 18.A OG no hydrogen 3.177 N/A ARG 17.A N ASN 15.A OD1 no hydrogen 2.836 N/A SER 18.A N ASN 15.A O no hydrogen 3.048 N/A SER 18.A OG ASN 15.A O no hydrogen 3.355 N/A PHE 21.A N SER 18.A O no hydrogen 2.992 N/A GLY 22.A N SER 18.A O no hydrogen 3.383 N/A VAL 23.A N ILE 19.A O no hydrogen 3.065 N/A ALA 24.A N ALA 20.A O no hydrogen 2.859 N/A LYS 25.A N PHE 21.A O no hydrogen 2.989 N/A VAL 26.A N GLY 22.A O no hydrogen 3.256 N/A LEU 27.A N VAL 23.A O no hydrogen 3.036 N/A ASP 28.A N ALA 24.A O no hydrogen 2.735 N/A GLN 29.A N LYS 25.A O no hydrogen 2.977 N/A LEU 30.A N VAL 26.A O no hydrogen 3.055 N/A LEU 30.A N LEU 27.A O no hydrogen 3.149 N/A GLY 31.A N ASP 28.A O no hydrogen 3.096 N/A ALA 32.A N LEU 27.A O no hydrogen 2.987 N/A LYS 33.A N LYS 6.A O no hydrogen 2.822 N/A LEU 34.A N GLN 56.A OE1 no hydrogen 2.833 N/A VAL 35.A N TYR 8.A O no hydrogen 2.988 N/A PHE 36.A N HIS 60.A O no hydrogen 2.803 N/A THR 37.A N ILE 10.A O no hydrogen 3.091 N/A TYR 38.A N TYR 62.A O no hydrogen 2.935 N/A ARG 42.A NE GLU 46.A OE2 no hydrogen 3.128 N/A ARG 42.A NH2 GLU 46.A OE2 no hydrogen 3.092 N/A SER 43.A N LYS 40.A O no hydrogen 2.975 N/A ARG 44.A N LYS 40.A O no hydrogen 3.299 N/A ARG 44.A NE GLU 41.A OE1.B no hydrogen 3.011 N/A ARG 44.A NH1 GLU 48.A OE2 no hydrogen 3.014 N/A ARG 44.A NH2 GLU 41.A OE1.B no hydrogen 2.208 N/A LYS 45.A N GLU 41.A O no hydrogen 3.103 N/A GLU 46.A N ARG 42.A O no hydrogen 2.981 N/A LEU 47.A N SER 43.A O no hydrogen 2.870 N/A GLU 48.A N ARG 44.A O no hydrogen 2.805 N/A LYS 49.A N LYS 45.A O no hydrogen 3.125 N/A LYS 49.A NZ GLU 46.A OE1 no hydrogen 3.012 N/A LYS 49.A NZ GLU 46.A OE2 no hydrogen 3.243 N/A LEU 50.A N GLU 46.A O no hydrogen 2.735 N/A LEU 51.A N LEU 47.A O no hydrogen 2.897 N/A GLU 52.A N LYS 49.A O no hydrogen 3.191 N/A GLN 53.A N LEU 50.A O no hydrogen 3.146 N/A LEU 54.A N LEU 51.A O no hydrogen 3.015 N/A ASN 55.A N ASP 28.A OD1 no hydrogen 3.011 N/A ASN 55.A N ASP 28.A OD2 no hydrogen 2.747 N/A GLN 56.A NE2 ASP 28.A OD1 no hydrogen 2.448 N/A GLN 56.A NE2 ALA 32.A O no hydrogen 3.024 N/A TYR 62.A N PHE 36.A O no hydrogen 2.828 N/A TYR 62.A OH ASP 82.A OD2 no hydrogen 2.624 N/A GLN 63.A NE2 ARG 39.A O no hydrogen 2.914 N/A ILE 64.A N TYR 38.A O no hydrogen 2.757 N/A ASP 65.A N GLU 71.A OE1 no hydrogen 2.920 N/A GLN 67.A N ASP 65.A OD1 no hydrogen 2.869 N/A GLN 67.A NE2 ASP 118.A OD2 no hydrogen 3.139 N/A SER 68.A N ASP 65.A O no hydrogen 2.986 N/A GLU 71.A N SER 68.A O no hydrogen 3.118 N/A GLU 71.A N SER 68.A OG no hydrogen 3.047 N/A VAL 72.A N SER 68.A O no hydrogen 3.184 N/A ILE 73.A N ASP 69.A O no hydrogen 2.883 N/A ASN 74.A N GLU 70.A O no hydrogen 2.834 N/A GLY 75.A N GLU 71.A O no hydrogen 2.751 N/A PHE 76.A N VAL 72.A O no hydrogen 2.978 N/A GLU 77.A N ILE 73.A O no hydrogen 3.025 N/A GLN 78.A N ASN 74.A O no hydrogen 2.902 N/A GLN 78.A NE2 ASP 82.A OD1 no hydrogen 2.971 N/A GLN 78.A NE2 ASP 82.A OD2 no hydrogen 3.527 N/A ILE 79.A N GLY 75.A O no hydrogen 2.845 N/A GLY 80.A N PHE 76.A O no hydrogen 2.980 N/A LYS 81.A N GLU 77.A O no hydrogen 3.034 N/A LYS 81.A NZ GLU 77.A OE2 no hydrogen 3.210 N/A ASP 82.A N GLN 78.A O no hydrogen 2.935 N/A VAL 83.A N ILE 79.A O no hydrogen 2.792 N/A GLY 84.A N GLY 80.A O no hydrogen 2.805 N/A ILE 86.A N LEU 134.A O no hydrogen 2.957 N/A ASP 87.A N THR 7.A O no hydrogen 2.791 N/A VAL 89.A N SER 140.A O no hydrogen 3.002 N/A TYR 90.A N VAL 9.A O no hydrogen 2.762 N/A TYR 90.A OH THR 144.A OG1 no hydrogen 2.773 N/A HIS 91.A N VAL 142.A O no hydrogen 2.744 N/A HIS 91.A NE2 SER 123.A OG no hydrogen 2.895 N/A SER 92.A N MET 11.A O no hydrogen 2.932 N/A PHE 95.A N SER 120.A OG no hydrogen 3.118 N/A GLU 99.A N.A GLU 99.A OE1.A no hydrogen 2.757 N/A GLU 99.A N.B GLU 99.A OE2.B no hydrogen 2.821 N/A ASP 100.A N.A ASN 97.A O no hydrogen 2.888 N/A LEU 101.A N.A MET 98.A O.A no hydrogen 2.948 N/A LEU 101.A N.B ASN 97.A O no hydrogen 2.864 N/A ARG 102.A N.B MET 98.A O.B no hydrogen 2.726 N/A ARG 102.A NE.A MET 98.A O.A no hydrogen 3.512 N/A ARG 102.A NE.B GLY 199.A O no hydrogen 2.711 N/A ARG 102.A NH2.A GLY 199.A O no hydrogen 3.560 N/A ARG 102.A NH2.B LYS 198.A O no hydrogen 2.992 N/A GLU 107.A N ARG 104.A O.A no hydrogen 2.993 N/A GLU 107.A N ARG 104.A O.B no hydrogen 3.031 N/A THR 108.A N PHE 105.A O no hydrogen 2.896 N/A THR 108.A OG1 PHE 105.A O no hydrogen 2.637 N/A SER 109.A N ASP 100.A OD1.B no hydrogen 3.001 N/A SER 109.A OG ASP 100.A OD1.B no hydrogen 3.007 N/A SER 109.A OG ASP 100.A OD2.B no hydrogen 3.405 N/A GLY 112.A N SER 109.A OG no hydrogen 2.805 N/A PHE 113.A N SER 109.A O no hydrogen 2.721 N/A LEU 114.A N ARG 110.A O no hydrogen 2.861 N/A LEU 115.A N GLU 111.A O no hydrogen 2.907 N/A ALA 116.A N GLY 112.A O no hydrogen 3.267 N/A GLN 117.A N PHE 113.A O no hydrogen 3.221 N/A ASP 118.A N LEU 114.A O no hydrogen 2.859 N/A ILE 119.A N LEU 115.A O no hydrogen 3.102 N/A SER 120.A N ALA 116.A O no hydrogen 2.923 N/A SER 120.A OG ALA 116.A O no hydrogen 2.745 N/A SER 121.A N GLN 117.A O no hydrogen 2.864 N/A SER 121.A OG SER 165.A OG no hydrogen 2.628 N/A TYR 122.A N GLN 117.A O no hydrogen 2.809 N/A SER 123.A N ASP 118.A O no hydrogen 3.030 N/A SER 123.A OG HIS 91.A NE2 no hydrogen 2.895 N/A SER 123.A OG ILE 119.A O no hydrogen 2.472 N/A LEU 124.A N SER 121.A O no hydrogen 2.916 N/A THR 125.A OG1 TYR 122.A O no hydrogen 3.552 N/A THR 125.A OG1 ASN 169.A OD1 no hydrogen 2.799 N/A ILE 126.A N TYR 122.A O no hydrogen 3.280 N/A VAL 127.A N SER 123.A O no hydrogen 3.017 N/A ALA 128.A N LEU 124.A O no hydrogen 2.755 N/A HIS 129.A N THR 125.A O no hydrogen 2.972 N/A HIS 129.A ND1 GLU 130.A OE2 no hydrogen 2.715 N/A GLU 130.A N ILE 126.A O no hydrogen 2.988 N/A ALA 131.A N VAL 127.A O no hydrogen 2.803 N/A LYS 132.A N ALA 128.A O no hydrogen 2.841 N/A LYS 133.A N GLU 130.A O no hydrogen 3.229 N/A LYS 133.A NZ GLU 130.A OE1 no hydrogen 3.006 N/A LEU 134.A N ALA 131.A O no hydrogen 2.914 N/A MET 135.A N LYS 132.A O no hydrogen 2.871 N/A GLY 138.A N MET 135.A O no hydrogen 3.008 N/A GLY 139.A N ASN 181.A O no hydrogen 3.027 N/A SER 140.A N ASP 87.A O no hydrogen 3.024 N/A SER 140.A OG LEU 232.A O no hydrogen 2.625 N/A ILE 141.A N ARG 183.A O no hydrogen 2.835 N/A VAL 142.A N VAL 89.A O no hydrogen 3.002 N/A ALA 143.A N ASN 185.A O no hydrogen 2.967 N/A THR 144.A OG1 TYR 90.A OH no hydrogen 2.773 N/A THR 144.A OG1 HIS 91.A O no hydrogen 2.932 N/A THR 145.A N ILE 187.A O no hydrogen 2.696 N/A THR 145.A OG1 GLU 167.A OE2 no hydrogen 2.635 N/A GLY 149.A N TYR 146.A O no hydrogen 2.840 N/A GLU 150.A N LEU 147.A O no hydrogen 2.870 N/A PHE 151.A N LEU 147.A O no hydrogen 3.058 N/A TYR 156.A N VAL 153.A O no hydrogen 3.069 N/A ASN 157.A ND2 ARG 102.A O.A no hydrogen 3.401 N/A ASN 157.A ND2 GLY 103.A O.A no hydrogen 3.199 N/A ASN 157.A ND2 GLY 103.A O.B no hydrogen 2.954 N/A VAL 158.A N ASP 100.A O.A no hydrogen 3.443 N/A MET 159.A N TYR 156.A O no hydrogen 2.916 N/A GLY 160.A N ASN 157.A O no hydrogen 2.827 N/A ALA 162.A N VAL 158.A O no hydrogen 3.067 N/A LYS 163.A N MET 159.A O no hydrogen 2.765 N/A LYS 163.A NZ THR 144.A O no hydrogen 2.853 N/A ALA 164.A N GLY 160.A O no hydrogen 2.864 N/A SER 165.A N VAL 161.A O no hydrogen 3.060 N/A SER 165.A OG GLN 117.A OE1 no hydrogen 2.726 N/A SER 165.A OG SER 121.A OG no hydrogen 2.628 N/A LEU 166.A N ALA 162.A O no hydrogen 2.909 N/A GLU 167.A N LYS 163.A O no hydrogen 2.935 N/A ALA 168.A N ALA 164.A O no hydrogen 3.201 N/A ASN 169.A N SER 165.A O no hydrogen 2.884 N/A ASN 169.A ND2 SER 121.A OG no hydrogen 3.273 N/A ASN 169.A ND2 THR 125.A OG1 no hydrogen 2.839 N/A VAL 170.A N LEU 166.A O no hydrogen 2.846 N/A LYS 171.A N GLU 167.A O no hydrogen 3.250 N/A TYR 172.A N ALA 168.A O no hydrogen 2.849 N/A LEU 173.A N ASN 169.A O no hydrogen 2.925 N/A ALA 174.A N VAL 170.A O no hydrogen 2.896 N/A LEU 175.A N LYS 171.A O no hydrogen 3.036 N/A ASP 176.A N TYR 172.A O no hydrogen 2.921 N/A LEU 177.A N LEU 173.A O no hydrogen 2.769 N/A GLY 178.A N ALA 174.A O no hydrogen 2.954 N/A ASP 180.A N LEU 177.A O no hydrogen 2.908 N/A ASN 181.A N GLY 178.A O no hydrogen 2.781 N/A ASN 181.A ND2 GLU 137.A O no hydrogen 3.332 N/A ILE 182.A N LEU 177.A O no hydrogen 3.307 N/A ARG 183.A N GLY 139.A O no hydrogen 2.897 N/A ARG 183.A NH1 LEU 232.A O no hydrogen 3.293 N/A ARG 183.A NH1 VAL 240.A O no hydrogen 3.114 N/A ARG 183.A NH2 LEU 232.A O no hydrogen 3.355 N/A VAL 184.A N THR 241.A OG1 no hydrogen 2.875 N/A ASN 185.A N ILE 141.A O no hydrogen 2.840 N/A ASN 185.A ND2 VAL 240.A O no hydrogen 3.110 N/A ALA 186.A N GLU 243.A O no hydrogen 2.802 N/A ILE 187.A N ALA 143.A O no hydrogen 2.962 N/A SER 188.A N ILE 245.A O no hydrogen 2.832 N/A ALA 189.A N THR 145.A O no hydrogen 3.098 N/A GLY 190.A N VAL 247.A O no hydrogen 2.932 N/A ARG 193.A NH1 ASN 204.A OD1 no hydrogen 2.998 N/A ARG 193.A NH2 ASN 204.A OD1 no hydrogen 2.863 N/A ALA 197.A N THR 194.A OG1 no hydrogen 3.154 N/A LYS 198.A N LEU 195.A O no hydrogen 3.086 N/A GLY 199.A N SER 196.A O no hydrogen 2.878 N/A VAL 200.A N ALA 197.A O no hydrogen 3.271 N/A GLY 201.A N LEU 101.A O.A no hydrogen 2.830 N/A PHE 203.A N VAL 200.A O no hydrogen 3.355 N/A ILE 206.A N GLY 202.A O no hydrogen 3.298 N/A LEU 207.A N PHE 203.A O no hydrogen 3.086 N/A LYS 208.A N ASN 204.A O no hydrogen 3.134 N/A GLU 209.A N THR 205.A O no hydrogen 3.141 N/A GLU 209.A N ILE 206.A O no hydrogen 2.992 N/A ILE 210.A N ILE 206.A O no hydrogen 3.020 N/A GLU 211.A N LEU 207.A O no hydrogen 3.322 N/A GLU 212.A N LYS 208.A O no hydrogen 3.066 N/A ARG 213.A N ILE 210.A O no hydrogen 3.262 N/A ARG 213.A NH1.A GLU 209.A OE2 no hydrogen 3.448 N/A ARG 213.A NH2.A LYS 255.A OXT no hydrogen 2.985 N/A ALA 214.A N ILE 210.A O no hydrogen 2.917 N/A LEU 216.A N SER 249.A O no hydrogen 3.128 N/A LYS 217.A N ALA 214.A O no hydrogen 2.712 N/A LYS 217.A NZ ALA 214.A O no hydrogen 3.318 N/A ARG 218.A NH1 ASN 219.A O no hydrogen 3.070 N/A ARG 218.A NH1 GLU 224.A OE1 no hydrogen 2.939 N/A ARG 218.A NH1 GLU 224.A OE2 no hydrogen 3.465 N/A ARG 218.A NH2 GLU 224.A OE2 no hydrogen 2.831 N/A ASN 219.A ND2 LEU 207.A O no hydrogen 2.855 N/A ASN 219.A ND2 GLU 211.A OE2 no hydrogen 3.372 N/A ASP 221.A N GLU 224.A OE1 no hydrogen 3.361 N/A GLN 222.A N GLN 222.A OE1 no hydrogen 2.702 N/A GLN 222.A NE2 ARG 17.A O no hydrogen 2.919 N/A GLU 224.A N ASP 221.A OD1 no hydrogen 3.065 N/A VAL 225.A N ASP 221.A O no hydrogen 3.345 N/A GLY 226.A N GLN 222.A O no hydrogen 2.747 N/A LYS 227.A N VAL 223.A O no hydrogen 2.804 N/A THR 228.A N GLU 224.A O no hydrogen 3.260 N/A ALA 229.A N VAL 225.A O no hydrogen 2.847 N/A ALA 230.A N GLY 226.A O no hydrogen 2.965 N/A TYR 231.A N LYS 227.A O no hydrogen 3.268 N/A LEU 232.A N THR 228.A O no hydrogen 3.040 N/A LEU 233.A N ALA 229.A O no hydrogen 2.850 N/A SER 234.A N TYR 231.A O no hydrogen 3.243 N/A SER 234.A OG ALA 230.A O no hydrogen 3.048 N/A SER 234.A OG TYR 231.A O no hydrogen 3.187 N/A LEU 236.A N SER 234.A OG no hydrogen 3.080 N/A SER 237.A N SER 234.A O no hydrogen 3.335 N/A SER 237.A OG TYR 231.A O no hydrogen 2.749 N/A SER 237.A OG LEU 232.A O no hydrogen 3.099 N/A SER 237.A OG SER 234.A O no hydrogen 3.020 N/A SER 238.A N ASP 235.A O no hydrogen 3.177 N/A SER 238.A OG ASP 235.A O no hydrogen 3.480 N/A VAL 240.A N SER 237.A O no hydrogen 3.056 N/A THR 241.A OG1 VAL 184.A O no hydrogen 3.413 N/A GLY 242.A N VAL 184.A O no hydrogen 2.770 N/A GLU 243.A N ASN 185.A OD1 no hydrogen 2.781 N/A ASN 244.A N GLU 243.A OE1 no hydrogen 2.990 N/A ILE 245.A N ALA 186.A O no hydrogen 2.926 N/A HIS 246.A NE2 GLU 150.A OE1 no hydrogen 2.743 N/A VAL 247.A N SER 188.A O no hydrogen 2.832 N/A SER 249.A OG ARG 218.A O no hydrogen 2.663 N/A GLY 250.A N ASP 248.A OD1 no hydrogen 3.010 N/A PHE 251.A N ASP 248.A O no hydrogen 3.205 N/A HIS 252.A N ASP 248.A OD2 no hydrogen 2.807 N/A HIS 252.A ND1 ASP 248.A OD1 no hydrogen 3.215 N/A ALA 253.A N GLY 250.A O no hydrogen 3.047 N/A ILE 254.A N PHE 251.A O no hydrogen 3.366 N/A