| 1 | M | 42.5 | Very low | 51.7 | Low | 249 Ų | 249 | 163 Ų | 163 | 100% | 1.227 | 81% | 0.805 | S | S | * | * | | | | 0 | 114.2 | 0 | -83.3 | -82.8 | -142.5 | 0 | 0 | 108.2 | | |
| 2 | G | 44.7 | Very low | 51.8 | Low | 65 Ų | 65 | 159.6 Ų | 159.6 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | 71.6 | 96.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 3 | T | 55.8 | Low | 52.1 | Low | 138 Ų | 138 | 156 Ų | 156 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | | | | 56.4 | 121.4 | 84.7 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 4 | S | 55.8 | Low | 52.7 | Low | 102 Ų | 102 | 151.9 Ų | 151.9 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | | | | -176.4 | 132.1 | 56.2 | 35.9 | 0 | 0 | 0 | 0 | 106.7 | | |
| 5 | E | 49.4 | Very low | 52.9 | Low | 164 Ų | 164 | 154.4 Ų | 154.4 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | | 56 | 121 | 78.7 | -57.3 | -73.8 | 155.6 | 0 | 0 | 108.8 | | |
| 6 | H | 48.7 | Very low | 53.7 | Low | 112 Ų | 112 | 156.6 Ų | 156.6 | 52% | 0.519 | 81% | 0.814 | S | S | . | * | | | cis | 170.6 | 95.1 | 30 | -179.7 | -60.6 | 0 | 0 | 0 | 105.7 | F8 | H6-F8 AromaticContact CE1-CD1 3.81Å; H6-F8 AromaticContact CE1-CD2 2.96Å; H6-F8 WeakPolarHBondContact CE1-CD2 3.42Å; H6-F8 AromaticContact CE1-CE1 3.81Å; H6-F8 AromaticContact CE1-CE2 2.93Å; H6-F8 WeakPolarHBondContact CE1-CE2 3.43Å; H6-F8 AromaticContact CE1-CG 3.39Å; H6-F8 WeakPolarHBondContact CE1-CG 3.36Å; H6-F8 AromaticContact CE1-CZ 3.37Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.28Å; H6-F8 AromaticContact ND1-CD2 2.98Å; H6-F8 WeakPolarHBondContact ND1-CD2 3.02Å; H6-F8 AromaticContact ND1-CE2 3.35Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.5Å; H6-F8 AromaticContact ND1-CG 3.57Å; H6-F8 AromaticContact NE2-CE2 3.58Å; H6-F8 AromaticContact NE2-CZ 3.87Å; H6-F8 PolarHBondContact O-N 3.23Å; H6-F8 VanDerWaalsContact O-N 3.08Å |
| 7 | E | 58.1 | Low | 54.4 | Low | 192 Ų | 192 | 149.7 Ų | 149.7 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -83.2 | 91.9 | 174.2 | -161.4 | 171 | 170.5 | 0 | 0 | 109 | I9 | E7-I9 PolarHBondContact O-N 3.3Š|
| 8 | F | 52.2 | Low | 54.9 | Low | 153 Ų | 153 | 148.6 Ų | 148.6 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | | | trans | -55.1 | 98.1 | 172.4 | -104.2 | -78.8 | 0 | 0 | 0 | 109.4 | H6 R10 | H6-F8 AromaticContact CE1-CD1 3.81Å; H6-F8 AromaticContact CE1-CD2 2.96Å; H6-F8 WeakPolarHBondContact CE1-CD2 3.42Å; H6-F8 AromaticContact CE1-CE1 3.81Å; H6-F8 AromaticContact CE1-CE2 2.93Å; H6-F8 WeakPolarHBondContact CE1-CE2 3.43Å; H6-F8 AromaticContact CE1-CG 3.39Å; H6-F8 WeakPolarHBondContact CE1-CG 3.36Å; H6-F8 AromaticContact CE1-CZ 3.37Å; H6-F8 WeakPolarHBondContact CE1-CZ 3.28Å; H6-F8 AromaticContact ND1-CD2 2.98Å; H6-F8 WeakPolarHBondContact ND1-CD2 3.02Å; H6-F8 AromaticContact ND1-CE2 3.35Å; H6-F8 WeakPolarHBondContact ND1-CE2 3.5Å; H6-F8 AromaticContact ND1-CG 3.57Å; H6-F8 AromaticContact NE2-CE2 3.58Å; H6-F8 AromaticContact NE2-CZ 3.87Å; H6-F8 PolarHBondContact O-N 3.23Å; H6-F8 VanDerWaalsContact O-N 3.08Å; F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 2.95Å |
| 9 | I | 56.7 | Low | 55.5 | Low | 158 Ų | 158 | 146.8 Ų | 146.8 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -60.6 | 97.5 | 162.7 | -62.3 | 173.6 | 0 | 0 | 0 | 106.5 | E7 R11 | E7-I9 PolarHBondContact O-N 3.3Å; I9-R11 PolarHBondContact O-N 3.07Å |
| 10 | R | 54.7 | Low | 56 | Low | 227 Ų | 227 | 151.5 Ų | 151.5 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | | | trans | -50.3 | 108.5 | 175.3 | -82.3 | 173 | 67.8 | -174 | 1.8 | 108.5 | F8 S12 | F8-R10 VanDerWaalsContact C-N 3.28Å; F8-R10 PolarHBondContact O-N 2.95Å; R10-S12 PolarHBondContact O-N 3.39Å |
| 11 | R | 50 | Low | 56.5 | Low | 233 Ų | 233 | 148.4 Ų | 148.4 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -55.1 | 99.5 | 169.7 | -71.9 | 179.2 | 170.2 | 128.4 | -2.3 | 109.5 | I9 S13 | I9-R11 PolarHBondContact O-N 3.07Å; R11-S13 PolarHBondContact O-N 3.22Å |
| 12 | S | 53.6 | Low | 57.5 | Low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -75.4 | 72.8 | 165.4 | 39.2 | 0 | 0 | 0 | 0 | 109.3 | R10 | R10-S12 PolarHBondContact O-N 3.39Š|
| 13 | S | 55.2 | Low | 58.7 | Low | 113 Ų | 113 | 155 Ų | 155 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -103.5 | 81.9 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | R11 | R11-S13 PolarHBondContact O-N 3.22Š|
| 14 | A | 59.9 | Low | 59.7 | Low | 99 Ų | 99 | 154.3 Ų | 154.3 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -125 | 49.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | H16 | A14-H16 PolarHBondContact O-N 2.72Š|
| 15 | F | 56.1 | Low | 60.5 | Low | 189 Ų | 189 | 155.2 Ų | 155.2 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | | | trans | -89.2 | 90.9 | 167.6 | -156.3 | -96.5 | 0 | 0 | 0 | 108.2 | G17 | F15-G17 PolarHBondContact O-N 2.94Å; F15-G17 VanDerWaalsContact O-N 3.13Å |
| 16 | H | 65.7 | Low | 61.8 | Low | 189 Ų | 189 | 159.1 Ų | 159.1 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | -70.3 | 102 | 164.5 | -102.8 | 27 | 0 | 0 | 0 | 107.6 | A14 | A14-H16 PolarHBondContact O-N 2.72Š|
| 17 | G | 65.8 | Low | 63.3 | Low | 40 Ų | 40 | 162.6 Ų | 162.6 | 41% | 0.412 | 82% | 0.816 | S | S | . | * | P | Polyproline II helix | trans | -57.2 | 165.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F15 S19 | F15-G17 PolarHBondContact O-N 2.94Å; F15-G17 VanDerWaalsContact O-N 3.13Å; G17-S19 PolarHBondContact O-N 3.08Å; G17-S19 VanDerWaalsContact O-N 3.13Å |
| 18 | P | 62.6 | Low | 64.2 | Low | 130 Ų | 130 | 159.5 Ų | 159.5 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 123.2 | -172.1 | 22.6 | -31.6 | 0 | 0 | 0 | 110.3 | R20 | P18-R20 PolarHBondContact O-N 3.3Š|
| 19 | S | 68 | Low | 65.3 | Low | 115 Ų | 115 | 162 Ų | 162 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 128.3 | 178.3 | -59.1 | 0 | 0 | 0 | 0 | 109.7 | G17 A21 | G17-S19 PolarHBondContact O-N 3.08Å; G17-S19 VanDerWaalsContact O-N 3.13Å; S19-A21 PolarHBondContact O-N 2.74Å |
| 20 | R | 65.7 | Low | 66.1 | Low | 240 Ų | 240 | 165.7 Ų | 165.7 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | -47.7 | 109.1 | 178.5 | -81.8 | -179.5 | 169.2 | -167.9 | -1.8 | 109.2 | P18 F22 | P18-R20 PolarHBondContact O-N 3.3Å; R20-F22 PolarHBondContact O-N 3.16Å |
| 21 | A | 66.2 | Low | 66.5 | Low | 87 Ų | 87 | 163.1 Ų | 163.1 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | | | trans | -59.4 | 123.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | S19 R23 | S19-A21 PolarHBondContact O-N 2.74Å; A21-R23 PolarHBondContact O-N 2.81Å; A21-R23 VanDerWaalsContact O-N 3.08Å |
| 22 | F | 63.3 | Low | 67.2 | Low | 209 Ų | 209 | 156.4 Ų | 156.4 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | -56.4 | 114.5 | 171.7 | -69 | -83.7 | 0 | 0 | 0 | 108.3 | R20 T24 | R20-F22 PolarHBondContact O-N 3.16Å; F22-T24 PolarHBondContact O-N 2.93Å |
| 23 | R | 70.1 | Confident | 67.8 | Low | 243 Ų | 243 | 155 Ų | 155 | 92% | 0.917 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 125.1 | 176.8 | -67.1 | -166 | 179.9 | -152.4 | 1.8 | 108.4 | A21 | A21-R23 PolarHBondContact O-N 2.81Å; A21-R23 VanDerWaalsContact O-N 3.08Å |
| 24 | T | 75.9 | Confident | 68.2 | Low | 124 Ų | 124 | 156.2 Ų | 156.2 | 76% | 0.761 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138.2 | 168.6 | 36.6 | 0 | 0 | 0 | 0 | 110.3 | F22 R26 | F22-T24 PolarHBondContact O-N 2.93Å; T24-R26 PolarHBondContact O-N 3.16Å |
| 25 | P | 73.5 | Confident | 68.2 | Low | 121 Ų | 121 | 156.8 Ų | 156.8 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.6 | 174.3 | -19.4 | 29.9 | 0 | 0 | 0 | 110 | E27 | P25-E27 PolarHBondContact O-N 3.25Š|
| 26 | R | 76.9 | Confident | 68.4 | Low | 246 Ų | 246 | 153.1 Ų | 153.1 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | | | trans | -70.9 | 114.2 | 171.2 | -83.8 | -178.4 | 166 | 178.6 | -4.6 | 108.2 | T24 | T24-R26 PolarHBondContact O-N 3.16Š|
| 27 | E | 78.2 | Confident | 68.1 | Low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | | | trans | -59.3 | 137.9 | 169.8 | -70.8 | -179.6 | 169.1 | 0 | 0 | 110.7 | P25 R29 | P25-E27 PolarHBondContact O-N 3.25Å; E27-R29 PolarHBondContact O-N 3.03Å |
| 28 | T | 77.4 | Confident | 67.6 | Low | 126 Ų | 126 | 151.3 Ų | 151.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -67.2 | 99 | 174.7 | -47.8 | 0 | 0 | 0 | 0 | 109.1 | R30 | T28-R30 PolarHBondContact O-N 2.7Š|
| 29 | R | 75.6 | Confident | 67.8 | Low | 206 Ų | 206 | 150.8 Ų | 150.8 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -61.7 | 103.3 | 166.8 | -87.2 | -172.4 | -173.7 | -167.4 | 2.3 | 108.7 | E27 F31 | E27-R29 PolarHBondContact O-N 3.03Å; R29-F31 HydrophobicContact CB-CE2 4.23Å; R29-F31 PolarHBondContact O-N 3.01Å |
| 30 | R | 72.8 | Confident | 68 | Low | 236 Ų | 236 | 151.6 Ų | 151.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | trans | -73.5 | 105.3 | 161.9 | -66.1 | -165.7 | 176.8 | -141.4 | 0.6 | 107.3 | T28 A32 | T28-R30 PolarHBondContact O-N 2.7Å; R30-A32 PolarHBondContact O-N 3.42Å |
| 31 | F | 64 | Low | 68 | Low | 172 Ų | 172 | 146.1 Ų | 146.1 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 121.2 | 164.3 | -71.6 | -85.5 | 0 | 0 | 0 | 107.3 | R29 A33 | R29-F31 HydrophobicContact CB-CE2 4.23Å; R29-F31 PolarHBondContact O-N 3.01Å; F31-A33 PolarHBondContact O-N 3.12Å |
| 32 | A | 65.8 | Low | 68.4 | Low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 133.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | R30 T34 | R30-A32 PolarHBondContact O-N 3.42Å; A32-T34 PolarHBondContact O-N 3.34Å |
| 33 | A | 64.4 | Low | 68.4 | Low | 92 Ų | 92 | 142.3 Ų | 142.3 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 128.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | F31 S35 | F31-A33 PolarHBondContact O-N 3.12Å; A33-S35 PolarHBondContact O-N 2.79Å |
| 34 | T | 65.4 | Low | 68.4 | Low | 138 Ų | 138 | 136.2 Ų | 136.2 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | | | trans | -60.1 | 103 | 169.8 | 42.4 | 0 | 0 | 0 | 0 | 107.4 | A32 S36 | A32-T34 PolarHBondContact O-N 3.34Å; T34-S36 PolarHBondContact O-N 3.35Å |
| 35 | S | 59.8 | Low | 67.9 | Low | 111 Ų | 111 | 134.7 Ų | 134.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -53.3 | 113.4 | 165.4 | -36.6 | 0 | 0 | 0 | 0 | 106.4 | A33 L37 | A33-S35 PolarHBondContact O-N 2.79Å; S35-L37 PolarHBondContact O-N 3.26Å; S35-L37 VanDerWaalsContact O-N 3.13Å |
| 36 | S | 59.5 | Low | 67.2 | Low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -56.8 | 119.5 | 176.8 | 55.5 | 0 | 0 | 0 | 0 | 108.3 | T34 S38 | T34-S36 PolarHBondContact O-N 3.35Å; S36-S38 PolarHBondContact O-N 3.48Å |
| 37 | L | 59.7 | Low | 66.4 | Low | 140 Ų | 140 | 127.4 Ų | 127.4 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -67.4 | 105.4 | 170.5 | -64.3 | 173 | 0 | 0 | 0 | 106.7 | S35 V43 | S35-L37 PolarHBondContact O-N 3.26Å; S35-L37 VanDerWaalsContact O-N 3.13Å; L37-V43 HydrophobicContact CD2-CG2 4.31Å |
| 38 | S | 55.3 | Low | 65.3 | Low | 51 Ų | 51 | 124.2 Ų | 124.2 | 36% | 0.357 | 74% | 0.739 | S | S | . | * | | | trans | -62.3 | 136.2 | 168.3 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | S36 D40 N41 | S36-S38 PolarHBondContact O-N 3.48Å; S38-D40 PolarHBondContact O-N 3.31Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.27Å; S38-N41 PolarHBondContact O-N 3.14Å; S38-N41 VanDerWaalsContact O-N 3.16Å |
| 39 | P | 66.5 | Low | 64.6 | Low | 120 Ų | 120 | 126 Ų | 126 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -21 | 176.1 | 20.8 | -30.3 | 0 | 0 | 0 | 113.1 | N41 | P39-N41 VanDerWaalsContact C-N 3.25Å; P39-N41 PolarHBondContact O-N 2.93Å |
| 40 | D | 72.1 | Confident | 63.8 | Low | 131 Ų | 131 | 124.6 Ų | 124.6 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -7.2 | -177.4 | -54.5 | -35.6 | 0 | 0 | 0 | 114 | S38 | S38-D40 PolarHBondContact O-N 3.31Å; S38-D40 PolarHBondContact OG-N 3.34Å; S38-D40 PolarHBondContact OG-OD2 3.27Å |
| 41 | N | 66.5 | Low | 63.5 | Low | 125 Ų | 125 | 122.2 Ų | 122.2 | 67% | 0.668 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -129.7 | 79.4 | 178.2 | -70.3 | -56.6 | 0 | 0 | 0 | 110.7 | S38 P39 V43 | S38-N41 PolarHBondContact O-N 3.14Å; S38-N41 VanDerWaalsContact O-N 3.16Å; P39-N41 VanDerWaalsContact C-N 3.25Å; P39-N41 PolarHBondContact O-N 2.93Å; N41-V43 PolarHBondContact O-N 3Å |
| 42 | P | 73.2 | Confident | 63.8 | Low | 112 Ų | 112 | 123.4 Ų | 123.4 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | trans | -61 | 131.2 | 173.1 | 26 | -32.6 | 0 | 0 | 0 | 109.5 | | |
| 43 | V | 64.2 | Low | 63.9 | Low | 105 Ų | 105 | 129.5 Ų | 129.5 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -52.5 | 126.5 | 171.6 | 176.9 | 0 | 0 | 0 | 0 | 107.6 | L37 N41 A45 | L37-V43 HydrophobicContact CD2-CG2 4.31Å; N41-V43 PolarHBondContact O-N 3Å; V43-A45 PolarHBondContact O-N 3.34Å |
| 44 | P | 70.7 | Confident | 64 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 74% | 0.74 | 76% | 0.757 | S | S | * | * | | | trans | -53.7 | 112.3 | 177.5 | -23 | 31 | 0 | 0 | 0 | 108.2 | T46 | P44-T46 PolarHBondContact O-N 3.46Š|
| 45 | A | 65.1 | Low | 64 | Low | 93 Ų | 93 | 135.5 Ų | 135.5 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | | | trans | -50.9 | 119.6 | 174 | 0 | 0 | 0 | 0 | 0 | 106.3 | V43 A47 | V43-A45 PolarHBondContact O-N 3.34Å; A45-A47 PolarHBondContact O-N 3.34Å |
| 46 | T | 58.2 | Low | 64.2 | Low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | trans | -40.3 | 108.9 | -171.9 | 38.2 | 0 | 0 | 0 | 0 | 110.1 | P44 C48 | P44-T46 PolarHBondContact O-N 3.46Å; T46-C48 PolarHBondContact O-N 3.47Å |
| 47 | A | 60 | Low | 64.2 | Low | 82 Ų | 82 | 140.2 Ų | 140.2 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -49.9 | 119.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | A45 L49 | A45-A47 PolarHBondContact O-N 3.34Å; A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.39Å |
| 48 | C | 55.6 | Low | 64 | Low | 118 Ų | 118 | 141.8 Ų | 141.8 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | | | trans | -56.4 | 97.8 | 176.8 | -76.7 | 0 | 0 | 0 | 0 | 107.7 | T46 M50 | T46-C48 PolarHBondContact O-N 3.47Å; C48-M50 HydrophobicContact CB-CG 4.45Å; C48-M50 PolarHBondContact O-N 2.82Å |
| 49 | L | 63.3 | Low | 64 | Low | 163 Ų | 163 | 146.7 Ų | 146.7 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -69.6 | 82.1 | 170.8 | -70.6 | 176.8 | 0 | 0 | 0 | 106.8 | A47 K51 | A47-L49 VanDerWaalsContact C-N 3.28Å; A47-L49 PolarHBondContact O-N 3.39Å; L49-K51 PolarHBondContact O-N 2.76Å |
| 50 | M | 58 | Low | 63.4 | Low | 177 Ų | 177 | 145.9 Ų | 145.9 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | | | trans | -71 | 55.6 | 163.4 | -61.6 | -157.8 | 84.3 | 0 | 0 | 109 | C48 K52 | C48-M50 HydrophobicContact CB-CG 4.45Å; C48-M50 PolarHBondContact O-N 2.82Å; M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.01Å |
| 51 | K | 67 | Low | 62.7 | Low | 185 Ų | 185 | 144.9 Ų | 144.9 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 91.1 | 171.9 | -164.1 | 164.4 | -175.2 | 171.9 | 0 | 107.4 | L49 R53 | L49-K51 PolarHBondContact O-N 2.76Å; K51-R53 PolarHBondContact O-N 3.43Å |
| 52 | K | 69.4 | Low | 62.1 | Low | 197 Ų | 197 | 142.5 Ų | 142.5 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -54 | 103.2 | 174.1 | -158 | 177.1 | -171.7 | 177.3 | 0 | 108.6 | M50 K54 | M50-K52 VanDerWaalsContact C-N 3.33Å; M50-K52 PolarHBondContact O-N 3.01Å; K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å |
| 53 | R | 68.7 | Low | 61.3 | Low | 222 Ų | 222 | 140.8 Ų | 140.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -65.5 | 112 | 169.7 | -72.7 | 174.6 | 65.5 | 130.5 | -1.6 | 107 | K51 L55 | K51-R53 PolarHBondContact O-N 3.43Å; R53-L55 PolarHBondContact O-N 3Å |
| 54 | K | 66.5 | Low | 60.8 | Low | 199 Ų | 199 | 145.3 Ų | 145.3 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | trans | -63.9 | 101.3 | 161.8 | -75.7 | -175.6 | 177.5 | 180 | 0 | 106.5 | K52 F56 | K52-K54 PolarHBondContact O-N 3.49Å; K52-K54 VanDerWaalsContact O-N 3.14Å; K54-F56 PolarHBondContact O-N 3.35Å |
| 55 | L | 65.5 | Low | 60.2 | Low | 156 Ų | 156 | 149.5 Ų | 149.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | | | trans | -64.3 | 121 | 168 | -87.6 | 149.4 | 0 | 0 | 0 | 107.2 | R53 | R53-L55 PolarHBondContact O-N 3Š|
| 56 | F | 64.1 | Low | 59.8 | Low | 192 Ų | 192 | 150.5 Ų | 150.5 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | -47.3 | 130.1 | 175.6 | -64.5 | -89.9 | 0 | 0 | 0 | 110.7 | K54 E58 | K54-F56 PolarHBondContact O-N 3.35Å; F56-E58 PolarHBondContact O-N 2.73Å |
| 57 | P | 59.1 | Low | 59.7 | Low | 130 Ų | 130 | 154.9 Ų | 154.9 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -79 | -0.9 | -179.3 | 30 | -32 | 0 | 0 | 0 | 114 | | |
| 58 | E | 54.2 | Low | 59.6 | Low | 173 Ų | 173 | 160.7 Ų | 160.7 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | | | trans | -115.5 | 90 | -175.1 | -65.3 | -142 | 149.5 | 0 | 0 | 112.5 | F56 | F56-E58 PolarHBondContact O-N 2.73Š|
| 59 | L | 55.9 | Low | 59.7 | Low | 155 Ų | 155 | 165 Ų | 165 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | | | trans | -70.8 | 128.1 | 157.4 | -81.7 | 159.6 | 0 | 0 | 0 | 108.1 | T61 | L59-T61 PolarHBondContact O-N 2.89Å; L59-T61 VanDerWaalsContact O-N 3.12Å |
| 60 | P | 53.7 | Low | 59.3 | Low | 102 Ų | 102 | 165.5 Ų | 165.5 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | trans | -58.9 | 123.4 | 175.2 | 21.5 | -29.5 | 0 | 0 | 0 | 109.4 | A62 A63 | P60-A62 PolarHBondContact O-N 2.88Å; P60-A63 PolarHBondContact O-N 2.91Å |
| 61 | T | 57.8 | Low | 59.2 | Low | 111 Ų | 111 | 167.3 Ų | 167.3 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -8.6 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 114.3 | L59 A63 R64 | L59-T61 PolarHBondContact O-N 2.89Å; L59-T61 VanDerWaalsContact O-N 3.12Å; T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3Å; T61-R64 PolarHBondContact O-N 3.33Å |
| 62 | A | 54.1 | Low | 58.6 | Low | 75 Ų | 75 | 161.2 Ų | 161.2 | 62% | 0.62 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -31.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | P60 R64 R65 | P60-A62 PolarHBondContact O-N 2.88Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.16Å; A62-R65 PolarHBondContact O-N 3.48Å |
| 63 | A | 55.2 | Low | 58 | Low | 76 Ų | 76 | 158.4 Ų | 158.4 | 63% | 0.628 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -71.7 | -20 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P60 T61 | P60-A63 PolarHBondContact O-N 2.91Å; T61-A63 VanDerWaalsContact C-N 3.26Å; T61-A63 PolarHBondContact O-N 3Å |
| 64 | R | 54.9 | Low | 57.4 | Low | 200 Ų | 200 | 153.6 Ų | 153.6 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -79.7 | -16.1 | 179.7 | -81.9 | 178.5 | 79 | 177.6 | 4.1 | 114.1 | T61 A62 | T61-R64 PolarHBondContact O-N 3.33Å; A62-R64 VanDerWaalsContact C-N 3.32Å; A62-R64 PolarHBondContact O-N 3.16Å |
| 65 | R | 56.9 | Low | 57 | Low | 202 Ų | 202 | 148.2 Ų | 148.2 | 76% | 0.762 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -81.6 | -23.5 | -177.9 | -71.8 | -170.1 | 177.5 | -145.1 | -0.1 | 113.8 | A62 | A62-R65 PolarHBondContact O-N 3.48Å |
| 66 | V | 57.1 | Low | 56.6 | Low | 113 Ų | 113 | 151.3 Ų | 151.3 | 69% | 0.685 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -73.6 | -35.4 | -177.6 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | R68 R69 | V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.31Å; V66-R69 PolarHBondContact O-N 3.04Å |
| 67 | R | 56.1 | Low | 56.2 | Low | 225 Ų | 225 | 147.3 Ų | 147.3 | 85% | 0.849 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -69.2 | -23.4 | -179.4 | -95.7 | -173.6 | 171.5 | -158.3 | -1.7 | 115.2 | | |
| 68 | R | 57.7 | Low | 55.9 | Low | 204 Ų | 204 | 147.7 Ų | 147.7 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -78.6 | -30.8 | 179.2 | -71.8 | -167.3 | 179.5 | -138 | 1.9 | 113 | V66 A72 | V66-R68 VanDerWaalsContact C-N 3.35Å; V66-R68 PolarHBondContact O-N 3.31Å; R68-A72 PolarHBondContact O-N 3.44Å |
| 69 | R | 59.3 | Low | 55.9 | Low | 208 Ų | 208 | 145 Ų | 145 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.3 | -30.5 | -177.5 | -67.4 | -168 | 178.5 | -147.3 | 0.3 | 113 | V66 H73 | V66-R69 PolarHBondContact O-N 3.04Å; R69-H73 PolarHBondContact O-N 3.04Å |
| 70 | Y | 53.3 | Low | 55.7 | Low | 174 Ų | 174 | 145.1 Ų | 145.1 | 68% | 0.682 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70.2 | -36.1 | 177.5 | -160 | -99.4 | 0 | 0 | 0 | 112.8 | H73 Q74 | Y70-H73 PolarHBondContact O-N 3.23Å; Y70-Q74 PolarHBondContact O-N 3.05Å |
| 71 | R | 56.2 | Low | 55.3 | Low | 214 Ų | 214 | 143 Ų | 143 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -72.7 | -32.3 | 179.9 | -161.5 | 173.4 | -169.4 | 167.6 | 3 | 113.3 | H73 | R71-H73 VanDerWaalsContact C-N 3.34Å |
| 72 | A | 55.4 | Low | 54.7 | Low | 57 Ų | 57 | 146.9 Ų | 146.9 | 47% | 0.471 | 72% | 0.716 | S | S | . | * | H | α-helix | trans | -74.4 | -25.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R68 S75 | R68-A72 PolarHBondContact O-N 3.44Å; A72-S75 PolarHBondContact O-OG 2.95Å |
| 73 | H | 55.7 | Low | 54.4 | Low | 138 Ų | 138 | 150 Ų | 150 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -75.8 | -31.8 | 178.2 | -136.4 | -74.4 | 0 | 0 | 0 | 112.3 | R69 Y70 R71 V77 | R69-H73 PolarHBondContact O-N 3.04Å; Y70-H73 PolarHBondContact O-N 3.23Å; R71-H73 VanDerWaalsContact C-N 3.34Å; H73-V77 WeakPolarHBondContact O-CG2 3.49Å |
| 74 | Q | 56.9 | Low | 54.1 | Low | 122 Ų | 122 | 155.3 Ų | 155.3 | 57% | 0.57 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -76.7 | -27.5 | 178.2 | -69.7 | -153.4 | -1.2 | 0 | 0 | 114.1 | Y70 R76 V77 | Y70-Q74 PolarHBondContact O-N 3.05Å; Q74-R76 PolarHBondContact O-N 3.29Å; Q74-V77 PolarHBondContact O-N 3.06Å |
| 75 | S | 57.2 | Low | 54 | Low | 86 Ų | 86 | 156.6 Ų | 156.6 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -9.5 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | A72 | A72-S75 PolarHBondContact O-OG 2.95Š|
| 76 | R | 58.2 | Low | 53.6 | Low | 221 Ų | 221 | 152.7 Ų | 152.7 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -6.5 | 177 | -78.6 | -175 | 174.5 | -169.7 | -2.7 | 114 | Q74 | Q74-R76 PolarHBondContact O-N 3.29Š|
| 77 | V | 54.4 | Low | 53.1 | Low | 107 Ų | 107 | 152.6 Ų | 152.6 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -110.8 | 15 | -172.8 | -172 | 0 | 0 | 0 | 0 | 111.9 | H73 Q74 P79 | H73-V77 WeakPolarHBondContact O-CG2 3.49Å; Q74-V77 PolarHBondContact O-N 3.06Å; V77-P79 WeakPolarHBondContact O-CD 3.39Å |
| 78 | L | 54.4 | Low | 53 | Low | 138 Ų | 138 | 145.2 Ų | 145.2 | 72% | 0.723 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -87.6 | 119 | 171.4 | -65.9 | 179.4 | 0 | 0 | 0 | 109.7 | V80 | L78-V80 PolarHBondContact O-N 2.84Š|
| 79 | P | 53.7 | Low | 52.9 | Low | 118 Ų | 118 | 142.7 Ų | 142.7 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | -62.2 | 124.6 | 172.5 | 24.3 | -30.3 | 0 | 0 | 0 | 109.4 | V77 G81 | V77-P79 WeakPolarHBondContact O-CD 3.39Å; P79-G81 PolarHBondContact O-N 2.82Å |
| 80 | V | 50.5 | Low | 52.6 | Low | 156 Ų | 156 | 144.1 Ų | 144.1 | 95% | 0.945 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -63.4 | 98.8 | 168.5 | 170.6 | 0 | 0 | 0 | 0 | 107.4 | L78 | L78-V80 PolarHBondContact O-N 2.84Š|
| 81 | G | 46.7 | Very low | 52.5 | Low | 57 Ų | 57 | 147 Ų | 147 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | | | trans | 179.7 | 129.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | P79 | P79-G81 PolarHBondContact O-N 2.82Š|
| 82 | Q | 44.6 | Very low | 52.5 | Low | 193 Ų | 193 | 149 Ų | 149 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | 87.2 | 68 | 178.5 | -46.7 | 178.6 | -3.2 | 0 | 0 | 116.1 | | |
| 83 | T | 47.6 | Very low | 52 | Low | 141 Ų | 141 | 149.9 Ų | 149.9 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | | | | -160.4 | 62.5 | 129.8 | -29.3 | 0 | 0 | 0 | 0 | 111 | R85 | T83-R85 PolarHBondContact O-N 3.2Š|
| 84 | E | 48.6 | Very low | 51.9 | Low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | | | trans | -76.4 | 99.1 | 151.8 | -72.1 | -174.2 | 166.5 | 0 | 0 | 107 | | |
| 85 | R | 53.5 | Low | 51.6 | Low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | | | trans | -176.4 | 125.8 | 152.2 | -105.5 | 161.1 | -174.7 | -174 | 1.6 | 111.2 | T83 | T83-R85 PolarHBondContact O-N 3.2Š|
| 86 | T | 48.9 | Very low | 51.5 | Low | 120 Ų | 120 | 154.1 Ų | 154.1 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | | | trans | 92.1 | 62.4 | 155.9 | -17.2 | 0 | 0 | 0 | 0 | 117.3 | A88 | T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 HydrophobicContact CG2-CB 4.37Å; T86-A88 PolarHBondContact O-N 2.91Å |
| 87 | A | 46.1 | Very low | 51.1 | Low | 111 Ų | 111 | 151.2 Ų | 151.2 | 92% | 0.917 | 82% | 0.817 | S | S | * | * | | | trans | -75.5 | 84 | 147.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 88 | A | 54.2 | Low | 51.1 | Low | 70 Ų | 70 | 154.1 Ų | 154.1 | 58% | 0.579 | 82% | 0.823 | S | S | * | * | | | trans | -163.7 | 87.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T86 | T86-A88 VanDerWaalsContact C-N 3.31Å; T86-A88 HydrophobicContact CG2-CB 4.37Å; T86-A88 PolarHBondContact O-N 2.91Å |
| 89 | T | 56 | Low | 50.9 | Low | 151 Ų | 151 | 159.3 Ų | 159.3 | 93% | 0.926 | 83% | 0.833 | S | S | * | * | | | trans | -156.3 | 114.9 | 139.5 | -3.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 90 | R | 51.6 | Low | 50.8 | Low | 237 Ų | 237 | 165.3 Ų | 165.3 | 89% | 0.894 | 84% | 0.84 | S | S | * | * | | | trans | -61.1 | 141.1 | 177.9 | -76.4 | 166.6 | 157.2 | 174.7 | -6.9 | 111.4 | | |
| 91 | R | 52.2 | Low | 50.7 | Low | 236 Ų | 236 | 169.9 Ų | 169.9 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | | | trans | 6.2 | 119.2 | 134 | -61 | -178.3 | 175.7 | -166.5 | -1.6 | 115.2 | | |
| 92 | R | 55.6 | Low | 50.5 | Low | 254 Ų | 254 | 170 Ų | 170 | 96% | 0.958 | 84% | 0.842 | S | S | * | * | | | trans | 171.8 | 138.9 | 131.8 | -94.2 | 165.1 | -159.3 | -114.2 | 6.9 | 109.8 | | |
| 93 | G | 46.1 | Very low | 50.4 | Low | 77 Ų | 77 | 167.2 Ų | 167.2 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | | | trans | 123.9 | 72 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 94 | R | 52.2 | Low | 50.4 | Low | 264 Ų | 264 | 166.6 Ų | 166.6 | 100% | 0.996 | 84% | 0.839 | S | S | * | * | | | trans | -70 | 133.3 | 142.9 | -88.7 | -174.2 | -179.7 | -158.7 | 0.5 | 107.5 | | |
| 95 | G | 51 | Low | 50.5 | Low | 72 Ų | 72 | 162.5 Ų | 162.5 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | trans | 162.7 | 107.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 96 | S | 56.2 | Low | 50.4 | Low | 99 Ų | 99 | 156.1 Ų | 156.1 | 69% | 0.692 | 82% | 0.821 | S | S | * | * | | | | 118.8 | 107.7 | 68.6 | 169.6 | 0 | 0 | 0 | 0 | 105.9 | H98 | S96-H98 PolarHBondContact O-N 3.14Š|
| 97 | D | 48.3 | Very low | 50.3 | Low | 159 Ų | 159 | 156.5 Ų | 156.5 | 85% | 0.85 | 83% | 0.827 | S | S | * | * | | | trans | -55 | 110.3 | 175.8 | -71.5 | -55.3 | 0 | 0 | 0 | 112.5 | | |
| 98 | H | 55.4 | Low | 50.7 | Low | 169 Ų | 169 | 158.4 Ų | 158.4 | 78% | 0.782 | 82% | 0.821 | S | S | * | * | | | trans | -131.5 | 105.5 | 157.5 | -71.5 | -23.8 | 0 | 0 | 0 | 111.1 | S96 R100 | S96-H98 PolarHBondContact O-N 3.14Å; H98-R100 PolarHBondContact O-N 2.92Å |
| 99 | R | 50.9 | Low | 50.4 | Low | 247 Ų | 247 | 158.6 Ų | 158.6 | 93% | 0.932 | 83% | 0.83 | S | S | * | * | | | trans | -12.4 | 113 | 148.8 | -63.1 | 176.9 | -176.7 | -172.4 | 0.8 | 113.4 | | |
| 100 | R | 50.3 | Low | 50 | Low | 243 Ų | 243 | 156.8 Ų | 156.8 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | | | trans | -139.5 | 112 | 139.7 | -82.8 | -162.5 | 176.1 | -113.5 | -0.4 | 110 | H98 | H98-R100 PolarHBondContact O-N 2.92Š|
| 101 | R | 47.6 | Very low | 50.2 | Low | 252 Ų | 252 | 148.7 Ų | 148.7 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | -52.8 | 134.5 | 157.1 | -66.6 | 171.1 | -157.2 | -112.6 | -2.6 | 108 | | |
| 102 | G | 43.6 | Very low | 50.3 | Low | 61 Ų | 61 | 144.5 Ų | 144.5 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | | | trans | -174.2 | 72.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | T104 | G102-T104 VanDerWaalsContact C-N 3.29Å; G102-T104 PolarHBondContact O-N 2.77Å |
| 103 | C | 41.8 | Very low | 50.4 | Low | 134 Ų | 134 | 137.2 Ų | 137.2 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | | | trans | -66.1 | 93 | 169 | -70.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 104 | T | 49.2 | Very low | 51 | Low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | | | trans | -137 | 55.7 | 161 | 61 | 0 | 0 | 0 | 0 | 108.4 | G102 S106 | G102-T104 VanDerWaalsContact C-N 3.29Å; G102-T104 PolarHBondContact O-N 2.77Å; T104-S106 PolarHBondContact O-N 3.13Å |
| 105 | S | 49.4 | Very low | 50.6 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | | | trans | -87.7 | 95.1 | 159.5 | 64.7 | 0 | 0 | 0 | 0 | 106.4 | C107 | S105-C107 PolarHBondContact O-N 2.87Š|
| 106 | S | 52.5 | Low | 50.2 | Low | 92 Ų | 92 | 131.4 Ų | 131.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | trans | -39.7 | 115.6 | 155.7 | 27 | 0 | 0 | 0 | 0 | 108.3 | T104 L108 | T104-S106 PolarHBondContact O-N 3.13Å; S106-L108 PolarHBondContact O-N 3.03Å |
| 107 | C | 46.4 | Very low | 50.3 | Low | 128 Ų | 128 | 132.7 Ų | 132.7 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | | | trans | -66.1 | 77.4 | 166.7 | -50.8 | 0 | 0 | 0 | 0 | 106.4 | S105 G109 | S105-C107 PolarHBondContact O-N 2.87Å; C107-G109 VanDerWaalsContact C-N 3.34Å; C107-G109 PolarHBondContact O-N 2.76Å |
| 108 | L | 54.8 | Low | 50.5 | Low | 152 Ų | 152 | 131.4 Ų | 131.4 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | | | trans | -58.7 | 106.5 | 166.6 | -76.7 | 167.9 | 0 | 0 | 0 | 105.1 | S106 S110 | S106-L108 PolarHBondContact O-N 3.03Å; L108-S110 PolarHBondContact O-N 2.78Å; L108-S110 VanDerWaalsContact O-N 3.08Å |
| 109 | G | 46.5 | Very low | 50.5 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 76% | 0.763 | 75% | 0.748 | S | S | * | * | | | trans | -45.3 | 119.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | C107 G111 | C107-G109 VanDerWaalsContact C-N 3.34Å; C107-G109 PolarHBondContact O-N 2.76Å; G109-G111 PolarHBondContact O-N 2.92Å |
| 110 | S | 47.9 | Very low | 50.6 | Low | 113 Ų | 113 | 128.8 Ų | 128.8 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | | | trans | -65 | 77.8 | 173.6 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | L108 I112 | L108-S110 PolarHBondContact O-N 2.78Å; L108-S110 VanDerWaalsContact O-N 3.08Å; S110-I112 PolarHBondContact O-N 2.79Å; S110-I112 VanDerWaalsContact O-N 3.16Å |
| 111 | G | 55.3 | Low | 50.7 | Low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | | | trans | -76 | 93.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | G109 S113 | G109-G111 PolarHBondContact O-N 2.92Å; G111-S113 PolarHBondContact O-N 3.13Å |
| 112 | I | 55.7 | Low | 50.8 | Low | 148 Ų | 148 | 118.6 Ų | 118.6 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -56.2 | 93.1 | 162.7 | 27.6 | 171.3 | 0 | 0 | 0 | 107.8 | S110 T114 | S110-I112 PolarHBondContact O-N 2.79Å; S110-I112 VanDerWaalsContact O-N 3.16Å; I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.72Å |
| 113 | S | 57.3 | Low | 51 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | -66.5 | 95 | 169.5 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | G111 G115 | G111-S113 PolarHBondContact O-N 3.13Å; S113-G115 PolarHBondContact O-N 3.41Å |
| 114 | T | 57.7 | Low | 51.3 | Low | 85 Ų | 85 | 123.6 Ų | 123.6 | 52% | 0.521 | 74% | 0.736 | S | S | . | * | | | trans | -65.4 | 104.1 | 165.4 | 51.6 | 0 | 0 | 0 | 0 | 106 | I112 F116 | I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.72Å; T114-F116 PolarHBondContact O-N 2.83Å |
| 115 | G | 44.1 | Very low | 51.1 | Low | 77 Ų | 77 | 125.8 Ų | 125.8 | 79% | 0.794 | 74% | 0.742 | S | S | * | * | | | trans | -61.2 | 79.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S113 | S113-G115 PolarHBondContact O-N 3.41Š|
| 116 | F | 42.5 | Very low | 50.8 | Low | 129 Ų | 129 | 125 Ų | 125 | 57% | 0.566 | 74% | 0.742 | S | S | * | * | | | trans | -107.9 | 133.1 | 164.4 | -88.1 | -74.9 | 0 | 0 | 0 | 108.5 | T114 F118 | T114-F116 PolarHBondContact O-N 2.83Å; F116-F118 HydrophobicContact CB-CD1 3.88Å; F116-F118 HydrophobicContact CB-CD2 4.18Å; F116-F118 HydrophobicContact CB-CE1 3.4Å; F116-F118 VanDerWaalsContact CB-CE1 3.4Å; F116-F118 HydrophobicContact CB-CE2 3.7Å; F116-F118 HydrophobicContact CB-CG 4.27Å; F116-F118 HydrophobicContact CB-CZ 3.29Å; F116-F118 HydrophobicContact CD1-CD1 4.18Å; F116-F118 AromaticContact CD1-CE1 3.21Å; F116-F118 HydrophobicContact CD1-CE1 3.21Å; F116-F118 AromaticContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD2-CZ 4.08Å; F116-F118 HydrophobicContact CE1-CE1 4.1Å; F116-F118 HydrophobicContact CE1-CZ 4.34Å; F116-F118 HydrophobicContact CG-CD1 4.4Å; F116-F118 AromaticContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE1 3.49Å; F116-F118 VanDerWaalsContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE2 4.21Å; F116-F118 AromaticContact CG-CZ 3.36Å; F116-F118 HydrophobicContact CG-CZ 3.36Å; F116-F118 PolarHBondContact O-N 2.91Å |
| 117 | P | 59.6 | Low | 50.3 | Low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 16.1 | -170.3 | 29.6 | -34.9 | 0 | 0 | 0 | 114.9 | | |
| 118 | F | 53 | Low | 50.3 | Low | 132 Ų | 132 | 126 Ų | 126 | 58% | 0.579 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.1 | -0.8 | -170.7 | 47 | -110.8 | 0 | 0 | 0 | 116.3 | F116 R120 | F116-F118 HydrophobicContact CB-CD1 3.88Å; F116-F118 HydrophobicContact CB-CD2 4.18Å; F116-F118 HydrophobicContact CB-CE1 3.4Å; F116-F118 VanDerWaalsContact CB-CE1 3.4Å; F116-F118 HydrophobicContact CB-CE2 3.7Å; F116-F118 HydrophobicContact CB-CG 4.27Å; F116-F118 HydrophobicContact CB-CZ 3.29Å; F116-F118 HydrophobicContact CD1-CD1 4.18Å; F116-F118 AromaticContact CD1-CE1 3.21Å; F116-F118 HydrophobicContact CD1-CE1 3.21Å; F116-F118 AromaticContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD1-CZ 3.54Å; F116-F118 HydrophobicContact CD2-CZ 4.08Å; F116-F118 HydrophobicContact CE1-CE1 4.1Å; F116-F118 HydrophobicContact CE1-CZ 4.34Å; F116-F118 HydrophobicContact CG-CD1 4.4Å; F116-F118 AromaticContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE1 3.49Å; F116-F118 VanDerWaalsContact CG-CE1 3.49Å; F116-F118 HydrophobicContact CG-CE2 4.21Å; F116-F118 AromaticContact CG-CZ 3.36Å; F116-F118 HydrophobicContact CG-CZ 3.36Å; F116-F118 PolarHBondContact O-N 2.91Å; F118-R120 PolarHBondContact O-N 3.24Å |
| 119 | E | 54.7 | Low | 49.8 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 59% | 0.593 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 8.9 | -175.5 | -70.5 | -169.5 | 167.1 | 0 | 0 | 116.1 | | |
| 120 | R | 52.6 | Low | 49.9 | Very low | 234 Ų | 234 | 132.9 Ų | 132.9 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -1.4 | -176.9 | -68.9 | -164.8 | -168.4 | -141.5 | 3.3 | 116.6 | F118 | F118-R120 PolarHBondContact O-N 3.24Š|
| 121 | Y | 52.2 | Low | 49.7 | Very low | 217 Ų | 217 | 132.1 Ų | 132.1 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -104.6 | 4.5 | -174.3 | -66.7 | -76.2 | 0 | 0 | 0 | 115.3 | | |
| 122 | G | 49.2 | Very low | 49.1 | Very low | 64 Ų | 64 | 136.9 Ų | 136.9 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -107.9 | -7.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 123 | V | 49.2 | Very low | 48.4 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 79% | 0.788 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 16.7 | -166.2 | -174.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 124 | L | 47.8 | Very low | 47.5 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 3.1 | -179.7 | -79.7 | 172.1 | 0 | 0 | 0 | 115.8 | | |
| 125 | L | 44.1 | Very low | 46.8 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 91% | 0.911 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -101.7 | 6.6 | 179.7 | -97 | 98.3 | 0 | 0 | 0 | 115.9 | | |
| 126 | A | 42.8 | Very low | 46.7 | Very low | 86 Ų | 86 | 154.4 Ų | 154.4 | 71% | 0.711 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -126.1 | 71.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 127 | T | 43.1 | Very low | 46.6 | Very low | 147 Ų | 147 | 154.3 Ų | 154.3 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 169.6 | 67.3 | 151.4 | 49.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 128 | A | 46 | Very low | 45.8 | Very low | 92 Ų | 92 | 154.7 Ų | 154.7 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -162.6 | 50.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 129 | N | 45.5 | Very low | 45.5 | Very low | 171 Ų | 171 | 152.7 Ų | 152.7 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | | | trans | -126.5 | 73 | 167.8 | -75.1 | -38.6 | 0 | 0 | 0 | 109 | | |
| 130 | K | 48.4 | Very low | 44.9 | Very low | 200 Ų | 200 | 155 Ų | 155 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | | | trans | -140.3 | 131.4 | 161.3 | -86.8 | -172 | 176.4 | 178.2 | 0 | 108.9 | | |
| 131 | S | 42.2 | Very low | 44.1 | Very low | 97 Ų | 97 | 146.9 Ų | 146.9 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | | | trans | 70 | 123 | 157.6 | 67.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 132 | Q | 43.5 | Very low | 43.9 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 70.1 | 141.4 | 137.2 | -83.2 | 175.5 | -80.4 | 0 | 0 | 116.1 | | |
| 133 | E | 41.9 | Very low | 43.2 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 65% | 0.645 | 81% | 0.814 | S | S | * | * | | | cis | -175.9 | 151.1 | 5.5 | 172 | 168.2 | 167.1 | 0 | 0 | 104.9 | | |
| 134 | R | 38.2 | Very low | 43 | Very low | 223 Ų | 223 | 147.1 Ų | 147.1 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -19.1 | 129.7 | 165.8 | -73.1 | 168 | 157.1 | 179.1 | -6.7 | 114.8 | | |
| 135 | R | 43 | Very low | 42.8 | Very low | 235 Ų | 235 | 150.6 Ų | 150.6 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | | | | -177.3 | 132.4 | 113.6 | -95.6 | 155.4 | -176.5 | -175.7 | 2.2 | 111.6 | | |
| 136 | H | 40.5 | Very low | 42.9 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -55.5 | 133.2 | 170.6 | -68.5 | -115.9 | 0 | 0 | 0 | 110.8 | | |
| 137 | T | 42.1 | Very low | 43.3 | Very low | 128 Ų | 128 | 153.4 Ų | 153.4 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -148.8 | 109.1 | 147.3 | -51.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 138 | V | 42 | Very low | 43.7 | Very low | 134 Ų | 134 | 153.7 Ų | 153.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | trans | -79.4 | 113 | 167.6 | -169.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 139 | A | 46.8 | Very low | 43.9 | Very low | 90 Ų | 90 | 160.6 Ų | 160.6 | 74% | 0.744 | 82% | 0.823 | S | S | * | * | | | trans | -126.7 | 103.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 140 | L | 41.1 | Very low | 44.3 | Very low | 174 Ų | 174 | 160.7 Ų | 160.7 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | | | trans | -55.4 | 133.5 | 163.9 | -67 | 158.3 | 0 | 0 | 0 | 109.3 | | |
| 141 | G | 36.5 | Very low | 44.6 | Very low | 64 Ų | 64 | 156.6 Ų | 156.6 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | | | trans | 153.3 | 114.5 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 142 | L | 47.5 | Very low | 44.9 | Very low | 184 Ų | 184 | 159.3 Ų | 159.3 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | | | trans | 88.7 | 92.3 | 158.1 | -44.5 | 177.9 | 0 | 0 | 0 | 116.4 | | |
| 143 | S | 34.4 | Very low | 45.4 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -122.7 | 161.9 | 153.6 | -157.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 144 | P | 46.7 | Very low | 46.4 | Very low | 118 Ų | 118 | 156.4 Ų | 156.4 | 77% | 0.766 | 81% | 0.809 | S | S | * | * | | | cis | -130.8 | 133.5 | -24.8 | 27.2 | -7.9 | 0 | 0 | 0 | 110.8 | | |
| 145 | R | 42.2 | Very low | 47.5 | Very low | 244 Ų | 244 | 151.6 Ų | 151.6 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | | | trans | -133.6 | 108.4 | 177.9 | -143 | 166.7 | 175.7 | 160.2 | -2.6 | 113.3 | | |
| 146 | S | 47.4 | Very low | 48.2 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | | | trans | 61 | 74.6 | 159.1 | 63.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 147 | Q | 49.7 | Very low | 48.8 | Very low | 206 Ų | 206 | 146.4 Ų | 146.4 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | | | trans | -100.3 | 16.3 | 158.8 | -79.5 | 176 | -19.7 | 0 | 0 | 113 | | |
| 148 | D | 52.6 | Low | 49.3 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -122.4 | 29 | -156.4 | -152.2 | 25.1 | 0 | 0 | 0 | 116 | | |
| 149 | R | 48.9 | Very low | 49.9 | Very low | 237 Ų | 237 | 150.2 Ų | 150.2 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | | | trans | -141.6 | 13.1 | 179.8 | -77.4 | -160.1 | 152.3 | -157 | -7.5 | 117.4 | T151 | R149-T151 PolarHBondContact O-N 3.4Š|
| 150 | L | 55.5 | Low | 50.5 | Low | 174 Ų | 174 | 151.7 Ų | 151.7 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -75.2 | 86.4 | 164.8 | -82.9 | 162.9 | 0 | 0 | 0 | 108.2 | H152 | L150-H152 PolarHBondContact O-N 3.41Š|
| 151 | T | 53.7 | Low | 51 | Low | 114 Ų | 114 | 147.9 Ų | 147.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -26.8 | 108.9 | 166.3 | 42.9 | 0 | 0 | 0 | 0 | 110.6 | R149 V153 | R149-T151 PolarHBondContact O-N 3.4Å; T151-V153 PolarHBondContact O-N 3.24Å |
| 152 | H | 48.9 | Very low | 52.1 | Low | 154 Ų | 154 | 148.2 Ų | 148.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | -63 | 71.6 | 161.9 | -166 | -111.8 | 0 | 0 | 0 | 107.7 | L150 Q154 | L150-H152 PolarHBondContact O-N 3.41Å; H152-Q154 VanDerWaalsContact CE1-CD 3.4Å; H152-Q154 VanDerWaalsContact CE1-CG 3.42Å; H152-Q154 WeakPolarHBondContact CE1-CG 3.37Å; H152-Q154 PolarHBondContact CE1-NE2 2.99Å; H152-Q154 WeakPolarHBondContact ND1-CG 2.93Å; H152-Q154 PolarHBondContact O-N 2.93Å |
| 153 | V | 53.1 | Low | 52.4 | Low | 105 Ų | 105 | 145.2 Ų | 145.2 | 64% | 0.636 | 75% | 0.751 | S | S | * | * | | | trans | -72.1 | 86.1 | 163.2 | -176.6 | 0 | 0 | 0 | 0 | 104.1 | T151 L155 | T151-V153 PolarHBondContact O-N 3.24Å; V153-L155 PolarHBondContact O-N 3.25Å |
| 154 | Q | 62.8 | Low | 53.7 | Low | 139 Ų | 139 | 147.6 Ų | 147.6 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | | | trans | -56.9 | 94.1 | 158.8 | -86.9 | 169.1 | -19.3 | 0 | 0 | 105.9 | H152 L156 | H152-Q154 VanDerWaalsContact CE1-CD 3.4Å; H152-Q154 VanDerWaalsContact CE1-CG 3.42Å; H152-Q154 WeakPolarHBondContact CE1-CG 3.37Å; H152-Q154 PolarHBondContact CE1-NE2 2.99Å; H152-Q154 WeakPolarHBondContact ND1-CG 2.93Å; H152-Q154 PolarHBondContact O-N 2.93Å; Q154-L156 PolarHBondContact O-N 3.35Å |
| 155 | L | 61.6 | Low | 54.3 | Low | 123 Ų | 123 | 153.2 Ų | 153.2 | 64% | 0.644 | 76% | 0.76 | S | S | * | * | | | trans | -57.9 | 92.9 | 157.6 | -82 | 155.9 | 0 | 0 | 0 | 105.3 | V153 F157 | V153-L155 PolarHBondContact O-N 3.25Å; L155-F157 HydrophobicContact CB-CD2 3.72Å; L155-F157 HydrophobicContact CB-CE2 3.49Å; L155-F157 VanDerWaalsContact CB-CE2 3.49Å; L155-F157 HydrophobicContact CB-CZ 4.24Å; L155-F157 HydrophobicContact CD1-CE2 3.91Å; L155-F157 HydrophobicContact CD1-CZ 4.29Å; L155-F157 HydrophobicContact CD2-CE2 4.16Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 HydrophobicContact CG-CE2 4.06Å; L155-F157 HydrophobicContact CG-CZ 4.44Å; L155-F157 PolarHBondContact O-N 3.39Å |
| 156 | L | 58 | Low | 54.9 | Low | 141 Ų | 141 | 147.3 Ų | 147.3 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | | | trans | -68 | 73.8 | 169.9 | -157.4 | 79.8 | 0 | 0 | 0 | 106.1 | Q154 T158 | Q154-L156 PolarHBondContact O-N 3.35Å; L156-T158 HydrophobicContact CD2-CG2 4.43Å; L156-T158 PolarHBondContact O-N 3.08Å |
| 157 | F | 53.1 | Low | 55.5 | Low | 166 Ų | 166 | 146.5 Ų | 146.5 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | | | trans | -68.1 | 87.6 | 162.1 | -70.8 | -71.5 | 0 | 0 | 0 | 105.6 | L155 W159 | L155-F157 HydrophobicContact CB-CD2 3.72Å; L155-F157 HydrophobicContact CB-CE2 3.49Å; L155-F157 VanDerWaalsContact CB-CE2 3.49Å; L155-F157 HydrophobicContact CB-CZ 4.24Å; L155-F157 HydrophobicContact CD1-CE2 3.91Å; L155-F157 HydrophobicContact CD1-CZ 4.29Å; L155-F157 HydrophobicContact CD2-CE2 4.16Å; L155-F157 HydrophobicContact CD2-CZ 4.07Å; L155-F157 HydrophobicContact CG-CE2 4.06Å; L155-F157 HydrophobicContact CG-CZ 4.44Å; L155-F157 PolarHBondContact O-N 3.39Å; F157-W159 PolarHBondContact O-N 3.21Å |
| 158 | T | 53.7 | Low | 55.9 | Low | 115 Ų | 115 | 148 Ų | 148 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -63.2 | 78.6 | 163.7 | 17.5 | 0 | 0 | 0 | 0 | 107.5 | L156 N160 | L156-T158 HydrophobicContact CD2-CG2 4.43Å; L156-T158 PolarHBondContact O-N 3.08Å; T158-N160 PolarHBondContact O-N 2.9Å |
| 159 | W | 53.5 | Low | 55.9 | Low | 228 Ų | 228 | 149.8 Ų | 149.8 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | | | trans | -67.7 | 91 | 158.2 | -162 | -87.6 | 0 | 0 | 0 | 105.3 | F157 P161 | F157-W159 PolarHBondContact O-N 3.21Å; W159-P161 VanDerWaalsContact C-CD 3.49Å; W159-P161 WeakPolarHBondContact O-CD 3.35Å |
| 160 | N | 59.5 | Low | 56.3 | Low | 121 Ų | 121 | 143.9 Ų | 143.9 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | | | trans | -89.8 | 92.8 | 168.5 | 177.9 | 3.3 | 0 | 0 | 0 | 106.8 | T158 S162 | T158-N160 PolarHBondContact O-N 2.9Å; N160-S162 PolarHBondContact ND2-OG 3.37Å; N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 PolarHBondContact OD1-N 3.13Å; N160-S162 PolarHBondContact OD1-OG 3.13Å; N160-S162 VanDerWaalsContact OD1-OG 3.14Å |
| 161 | P | 51.1 | Low | 56.2 | Low | 93 Ų | 93 | 144 Ų | 144 | 60% | 0.604 | 74% | 0.74 | S | S | * | * | | | trans | -76.1 | 82 | 165.6 | 34.4 | -30.2 | 0 | 0 | 0 | 105.4 | W159 P163 | W159-P161 VanDerWaalsContact C-CD 3.49Å; W159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-P163 WeakPolarHBondContact O-CD 2.96Å; P161-P163 VanDerWaalsContact O-N 3.1Å |
| 162 | S | 59.7 | Low | 56.2 | Low | 71 Ų | 71 | 151.1 Ų | 151.1 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | | | trans | -53.5 | 123.1 | 166.4 | -72.1 | 0 | 0 | 0 | 0 | 106.7 | N160 L164 | N160-S162 PolarHBondContact ND2-OG 3.37Å; N160-S162 PolarHBondContact O-N 3.27Å; N160-S162 PolarHBondContact OD1-N 3.13Å; N160-S162 PolarHBondContact OD1-OG 3.13Å; N160-S162 VanDerWaalsContact OD1-OG 3.14Å; S162-L164 PolarHBondContact O-N 3Å |
| 163 | P | 53.4 | Low | 56.6 | Low | 121 Ų | 121 | 151 Ų | 151 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | | | trans | -64.8 | 104.3 | 178.4 | 23.5 | -29.3 | 0 | 0 | 0 | 106.4 | P161 R165 | P161-P163 WeakPolarHBondContact O-CD 2.96Å; P161-P163 VanDerWaalsContact O-N 3.1Å; P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 PolarHBondContact O-N 2.93Å |
| 164 | L | 61.4 | Low | 56.8 | Low | 164 Ų | 164 | 153.4 Ų | 153.4 | 86% | 0.859 | 78% | 0.776 | S | S | * | * | | | trans | -55.5 | 101.7 | 169.4 | -69 | 172.1 | 0 | 0 | 0 | 106.2 | S162 P166 | S162-L164 PolarHBondContact O-N 3Å; L164-P166 VanDerWaalsContact O-CD 3.28Å; L164-P166 WeakPolarHBondContact O-CD 2.98Å; L164-P166 VanDerWaalsContact O-N 3.16Å |
| 165 | R | 61 | Low | 56.4 | Low | 236 Ų | 236 | 154.2 Ų | 154.2 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -51.7 | 118.4 | 171.2 | -112.9 | -175.5 | 174.8 | -176.8 | -0.6 | 106.8 | P163 S167 | P163-R165 VanDerWaalsContact C-N 3.31Å; P163-R165 PolarHBondContact O-N 2.93Å; R165-S167 PolarHBondContact O-N 2.97Å |
| 166 | P | 53.4 | Low | 56.1 | Low | 120 Ų | 120 | 156.1 Ų | 156.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -66.1 | 113.2 | 167.6 | 24.9 | -28.2 | 0 | 0 | 0 | 107.4 | L164 R168 | L164-P166 VanDerWaalsContact O-CD 3.28Å; L164-P166 WeakPolarHBondContact O-CD 2.98Å; L164-P166 VanDerWaalsContact O-N 3.16Å; P166-R168 PolarHBondContact O-N 2.82Å |
| 167 | S | 59.7 | Low | 56 | Low | 95 Ų | 95 | 157 Ų | 157 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | | | trans | -53.2 | 123.9 | 163.7 | -178.6 | 0 | 0 | 0 | 0 | 107.8 | R165 F169 | R165-S167 PolarHBondContact O-N 2.97Å; S167-F169 PolarHBondContact O-N 2.92Å |
| 168 | R | 58.3 | Low | 56.2 | Low | 238 Ų | 238 | 156.4 Ų | 156.4 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -65 | 98.5 | 174.4 | -72.4 | -176.5 | 170.8 | 176 | -4 | 108 | P166 S170 | P166-R168 PolarHBondContact O-N 2.82Å; R168-S170 PolarHBondContact O-N 3.08Å |
| 169 | F | 54.5 | Low | 56.4 | Low | 190 Ų | 190 | 159.4 Ų | 159.4 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | | | trans | -73.6 | 98 | 154.8 | -81.7 | -87.7 | 0 | 0 | 0 | 106.8 | S167 | S167-F169 PolarHBondContact O-N 2.92Š|
| 170 | S | 56.2 | Low | 56.6 | Low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -72.5 | 122.5 | 157.1 | 42.2 | 0 | 0 | 0 | 0 | 107.4 | R168 | R168-S170 PolarHBondContact O-N 3.08Š|
| 171 | L | 54.3 | Low | 56.3 | Low | 176 Ų | 176 | 156.8 Ų | 156.8 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -123 | 87.1 | 171.3 | -154.3 | 141.6 | 0 | 0 | 0 | 105 | | |
| 172 | E | 53 | Low | 56.8 | Low | 265 Ų | 265 | 162.6 Ų | 162.6 | 100% | 1.238 | 83% | 0.832 | S | S | * | * | | | trans | -140.4 | 0 | 164.2 | -164.9 | 172.5 | -170.3 | 0 | 0 | 106.5 | | |