Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a44_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE TYR 74.A OH no hydrogen 3.032 N/A ARG 2.A NH2 MET 55.A O no hydrogen 2.761 N/A ARG 2.A NH2 TYR 74.A OH no hydrogen 2.993 N/A GLU 4.A N GLU 4.A OE1 no hydrogen 2.701 N/A TRP 5.A N ARG 2.A O no hydrogen 2.814 N/A LEU 8.A N GLU 4.A O no hydrogen 3.309 N/A ALA 9.A N TRP 5.A O no hydrogen 2.721 N/A LEU 10.A N ILE 6.A O no hydrogen 3.062 N/A GLY 11.A N TRP 7.A O no hydrogen 2.921 N/A THR 12.A N LEU 8.A O no hydrogen 2.904 N/A THR 12.A OG1 LEU 8.A O no hydrogen 2.972 N/A ALA 13.A N ALA 9.A O no hydrogen 2.948 N/A LEU 14.A N LEU 10.A O no hydrogen 2.873 N/A MET 15.A N GLY 11.A O no hydrogen 2.864 N/A GLY 16.A N THR 12.A O no hydrogen 2.794 N/A LEU 17.A N ALA 13.A O no hydrogen 2.780 N/A GLY 18.A N LEU 14.A O no hydrogen 2.864 N/A THR 19.A N MET 15.A O no hydrogen 2.959 N/A THR 19.A OG1 MET 15.A O no hydrogen 2.659 N/A LEU 20.A N GLY 16.A O no hydrogen 3.204 N/A TYR 21.A N LEU 17.A O no hydrogen 2.929 N/A PHE 22.A N GLY 18.A O no hydrogen 3.044 N/A LEU 23.A N THR 19.A O no hydrogen 2.897 N/A VAL 24.A N LEU 20.A O no hydrogen 2.886 N/A LYS 25.A N TYR 21.A O no hydrogen 2.895 N/A GLY 26.A N PHE 22.A O no hydrogen 2.911 N/A GLY 26.A N LEU 23.A O no hydrogen 3.121 N/A MET 27.A N VAL 24.A O no hydrogen 3.375 N/A SER 30.A OG ASP 31.A OD1 no hydrogen 3.437 N/A ALA 34.A N ASP 33.A OD1 no hydrogen 2.507 N/A LYS 35.A N ASP 31.A O no hydrogen 2.825 N/A LYS 35.A NZ VAL 29.A O no hydrogen 3.004 N/A LYS 36.A N PRO 32.A O no hydrogen 3.114 N/A PHE 37.A N ASP 33.A O no hydrogen 3.057 N/A TYR 38.A N ALA 34.A O no hydrogen 2.839 N/A ALA 39.A N LYS 35.A O no hydrogen 3.038 N/A ILE 40.A N LYS 36.A O no hydrogen 3.271 N/A THR 41.A N PHE 37.A O no hydrogen 2.927 N/A THR 41.A OG1 PHE 37.A O no hydrogen 2.678 N/A THR 41.A OG1 ASP 91.A OD1 no hydrogen 3.422 N/A THR 41.A OG1 ASP 91.A OD2 no hydrogen 2.800 N/A THR 42.A N TYR 38.A O no hydrogen 2.939 N/A THR 42.A OG1 TYR 38.A O no hydrogen 2.691 N/A LEU 43.A N ALA 39.A O no hydrogen 2.948 N/A VAL 44.A N ILE 40.A O no hydrogen 3.323 N/A ALA 46.A N THR 42.A O no hydrogen 3.246 N/A ILE 47.A N LEU 43.A O no hydrogen 2.930 N/A ALA 48.A N VAL 44.A O no hydrogen 3.040 N/A PHE 49.A N PRO 45.A O no hydrogen 2.669 N/A THR 50.A N ALA 46.A O no hydrogen 3.277 N/A THR 50.A OG1 ILE 47.A O no hydrogen 2.774 N/A MET 51.A N ILE 47.A O no hydrogen 3.179 N/A TYR 52.A N ALA 48.A O no hydrogen 2.729 N/A TYR 52.A OH ASP 193.A OD2 no hydrogen 2.443 N/A LEU 53.A N PHE 49.A O no hydrogen 2.963 N/A SER 54.A N THR 50.A O no hydrogen 2.853 N/A SER 54.A OG MET 51.A O no hydrogen 3.276 N/A MET 55.A N MET 51.A O no hydrogen 3.046 N/A LEU 56.A N TYR 52.A O no hydrogen 2.820 N/A LEU 57.A N LEU 53.A O no hydrogen 2.932 N/A GLY 60.A N SER 54.A O no hydrogen 3.138 N/A THR 62.A N ILE 73.A O no hydrogen 2.911 N/A VAL 64.A N ASN 71.A O no hydrogen 2.822 N/A PHE 66.A N GLU 69.A O no hydrogen 2.951 N/A GLU 69.A N PHE 66.A O no hydrogen 3.193 N/A ASN 71.A N VAL 64.A O no hydrogen 2.887 N/A ASN 71.A ND2 VAL 64.A O no hydrogen 3.286 N/A ASN 71.A ND2 PHE 66.A O no hydrogen 2.958 N/A ILE 73.A N THR 62.A O no hydrogen 2.744 N/A TYR 74.A OH GLU 4.A OE2 no hydrogen 2.365 N/A TRP 75.A N ILE 73.A O no hydrogen 3.147 N/A ALA 76.A N GLY 60.A O no hydrogen 3.314 N/A TYR 78.A N TRP 75.A O no hydrogen 3.102 N/A TYR 78.A OH GLU 175.A OE1 no hydrogen 3.382 N/A ASP 80.A N ALA 76.A O no hydrogen 3.123 N/A TRP 81.A N ARG 77.A O no hydrogen 2.797 N/A LEU 82.A N TYR 78.A O no hydrogen 2.732 N/A PHE 83.A N ASP 80.A O no hydrogen 3.112 N/A THR 84.A N ASP 80.A O no hydrogen 2.873 N/A THR 84.A OG1 ASP 80.A O no hydrogen 2.814 N/A THR 84.A OG1 ASP 80.A OD1 no hydrogen 2.531 N/A THR 85.A N TRP 81.A O no hydrogen 2.978 N/A THR 85.A OG1 TRP 81.A O no hydrogen 2.555 N/A THR 85.A OG1 ASP 110.A OD1 no hydrogen 2.604 N/A THR 85.A OG1 ASP 110.A OD2 no hydrogen 3.312 N/A LEU 87.A N PHE 83.A O no hydrogen 3.377 N/A LEU 88.A N THR 84.A O no hydrogen 3.208 N/A LEU 89.A N THR 85.A O no hydrogen 3.110 N/A LEU 90.A N PRO 86.A O no hydrogen 2.811 N/A ASP 91.A N LEU 87.A O no hydrogen 2.869 N/A LEU 92.A N LEU 88.A O no hydrogen 3.086 N/A ALA 93.A N LEU 89.A O no hydrogen 2.708 N/A LEU 94.A N LEU 90.A O no hydrogen 2.911 N/A LEU 95.A N ASP 91.A O no hydrogen 3.051 N/A VAL 96.A N LEU 92.A O no hydrogen 3.227 N/A ASP 97.A N LEU 94.A O no hydrogen 3.158 N/A ALA 98.A N ALA 93.A O no hydrogen 2.847 N/A ILE 103.A N ASP 99.A O no hydrogen 2.938 N/A LEU 104.A N GLN 100.A O no hydrogen 2.999 N/A ALA 105.A N GLY 101.A O no hydrogen 3.272 N/A LEU 106.A N THR 102.A O no hydrogen 2.940 N/A VAL 107.A N ILE 103.A O no hydrogen 2.694 N/A GLY 108.A N LEU 104.A O no hydrogen 2.820 N/A ALA 109.A N ALA 105.A O no hydrogen 2.904 N/A ASP 110.A N LEU 106.A O no hydrogen 2.881 N/A GLY 111.A N VAL 107.A O no hydrogen 2.945 N/A ILE 112.A N GLY 108.A O no hydrogen 3.120 N/A MET 113.A N ALA 109.A O no hydrogen 2.841 N/A ILE 114.A N ASP 110.A O no hydrogen 3.013 N/A GLY 115.A N GLY 111.A O no hydrogen 2.715 N/A THR 116.A N ILE 112.A O no hydrogen 2.783 N/A THR 116.A OG1 ILE 112.A O no hydrogen 2.717 N/A THR 116.A OG1 MET 113.A O no hydrogen 3.164 N/A GLY 117.A N MET 113.A O no hydrogen 3.142 N/A LEU 118.A N ILE 114.A O no hydrogen 2.957 N/A VAL 119.A N GLY 115.A O no hydrogen 3.228 N/A GLY 120.A N THR 116.A O no hydrogen 2.897 N/A ALA 121.A N GLY 117.A O no hydrogen 2.905 N/A LEU 122.A N LEU 118.A O no hydrogen 3.048 N/A THR 123.A N GLY 120.A O no hydrogen 3.227 N/A THR 123.A OG1 VAL 119.A O no hydrogen 2.480 N/A TYR 128.A N VAL 125.A O no hydrogen 2.955 N/A ARG 129.A N VAL 125.A O no hydrogen 3.371 N/A ARG 129.A N TYR 126.A O no hydrogen 3.117 N/A ARG 129.A NE GLU 175.A O no hydrogen 2.661 N/A ARG 129.A NH1 ALA 121.A O no hydrogen 2.786 N/A ARG 129.A NH1 THR 123.A O no hydrogen 3.017 N/A ARG 129.A NH2 ALA 121.A O no hydrogen 2.850 N/A ARG 129.A NH2 GLU 175.A O no hydrogen 2.788 N/A PHE 130.A N SER 127.A O no hydrogen 3.262 N/A TRP 132.A N TYR 128.A O no hydrogen 3.102 N/A TRP 133.A N ARG 129.A O no hydrogen 2.844 N/A TRP 133.A NE1 PRO 167.A O no hydrogen 3.035 N/A ALA 134.A N PHE 130.A O no hydrogen 2.966 N/A ILE 135.A N VAL 131.A O no hydrogen 3.098 N/A SER 136.A N TRP 132.A O no hydrogen 3.068 N/A SER 136.A OG MET 113.A O no hydrogen 2.548 N/A THR 137.A N TRP 133.A O no hydrogen 2.840 N/A THR 137.A OG1 TRP 133.A O no hydrogen 2.831 N/A ALA 138.A N ALA 134.A O no hydrogen 2.878 N/A ALA 139.A N ILE 135.A O no hydrogen 3.016 N/A MET 140.A N SER 136.A O no hydrogen 2.857 N/A LEU 141.A N THR 137.A O no hydrogen 2.974 N/A TYR 142.A N ALA 138.A O no hydrogen 3.199 N/A ILE 143.A N ALA 139.A O no hydrogen 3.163 N/A LEU 144.A N MET 140.A O no hydrogen 2.966 N/A TYR 145.A N LEU 141.A O no hydrogen 2.763 N/A VAL 146.A N TYR 142.A O no hydrogen 2.813 N/A LEU 147.A N ILE 143.A O no hydrogen 2.692 N/A PHE 152.A N VAL 148.A O no hydrogen 2.953 N/A LYS 153.A N ALA 149.A O no hydrogen 2.823 N/A VAL 154.A N SER 150.A O no hydrogen 2.941 N/A LEU 155.A N THR 151.A O no hydrogen 2.821 N/A ARG 156.A N PHE 152.A O no hydrogen 2.700 N/A ARG 156.A NH1 ASN 157.A OD1 no hydrogen 3.529 N/A ASN 157.A N LYS 153.A O no hydrogen 3.085 N/A VAL 158.A N VAL 154.A O no hydrogen 3.019 N/A THR 159.A N LEU 155.A O no hydrogen 2.978 N/A THR 159.A OG1 LEU 155.A O no hydrogen 3.026 N/A VAL 160.A N ARG 156.A O no hydrogen 2.881 N/A VAL 161.A N ASN 157.A O no hydrogen 2.990 N/A LEU 162.A N VAL 158.A O no hydrogen 2.881 N/A TRP 163.A N THR 159.A O no hydrogen 2.890 N/A SER 164.A OG VAL 160.A O no hydrogen 2.856 N/A ALA 165.A N LEU 162.A O no hydrogen 3.260 N/A TYR 166.A N TRP 163.A O no hydrogen 3.173 N/A TYR 166.A OH ASP 193.A OD1 no hydrogen 2.632 N/A VAL 169.A N ALA 165.A O no hydrogen 2.787 N/A TRP 170.A N TYR 166.A O no hydrogen 2.955 N/A TRP 170.A NE1 TYR 78.A OH no hydrogen 2.920 N/A LEU 171.A N PRO 167.A O no hydrogen 2.976 N/A ILE 172.A N VAL 168.A O no hydrogen 3.202 N/A GLY 173.A N VAL 169.A O no hydrogen 2.758 N/A SER 174.A N GLU 185.A OE1 no hydrogen 2.856 N/A SER 174.A OG GLU 185.A OE1 no hydrogen 2.658 N/A GLY 176.A N GLY 173.A O no hydrogen 3.400 N/A ALA 177.A N LEU 171.A O no hydrogen 2.836 N/A GLY 178.A N GLY 173.A O no hydrogen 2.717 N/A ILE 179.A N ILE 172.A O no hydrogen 2.963 N/A VAL 180.A N ILE 172.A O no hydrogen 2.978 N/A GLU 185.A N PRO 181.A O no hydrogen 2.939 N/A THR 186.A N LEU 182.A O no hydrogen 2.601 N/A THR 186.A N ASN 183.A O no hydrogen 3.240 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.599 N/A LEU 187.A N ASN 183.A O no hydrogen 3.167 N/A LEU 188.A N ILE 184.A O no hydrogen 2.807 N/A PHE 189.A N GLU 185.A O no hydrogen 2.970 N/A MET 190.A N THR 186.A O no hydrogen 2.852 N/A VAL 191.A N LEU 187.A O no hydrogen 2.912 N/A LEU 192.A N LEU 188.A O no hydrogen 2.938 N/A ASP 193.A N PHE 189.A O no hydrogen 2.673 N/A VAL 194.A N MET 190.A O no hydrogen 3.043 N/A SER 195.A N VAL 191.A O no hydrogen 3.080 N/A SER 195.A OG VAL 191.A O no hydrogen 2.515 N/A ALA 196.A N LEU 192.A O no hydrogen 2.861 N/A LYS 197.A N ASP 193.A O no hydrogen 3.187 N/A GLY 199.A N VAL 194.A O no hydrogen 3.021 N/A PHE 200.A N SER 195.A O no hydrogen 2.852 N/A GLY 201.A N LYS 197.A O no hydrogen 2.808 N/A LEU 202.A N VAL 198.A O no hydrogen 2.823 N/A ILE 203.A N GLY 199.A O no hydrogen 3.089 N/A LEU 204.A N PHE 200.A O no hydrogen 3.021 N/A LEU 205.A N GLY 201.A O no hydrogen 2.818 N/A ARG 206.A N LEU 202.A O no hydrogen 3.105 N/A SER 207.A OG ILE 203.A O no hydrogen 3.195 N/A SER 207.A OG LEU 204.A O no hydrogen 2.580 N/A