| 1 | M | 42.7 | Very low | 51.2 | Low | 236 Ų | 236 | 134.7 Ų | 134.7 | 100% | 1.163 | 78% | 0.775 | S | S | * | * | | | | 0 | 112.8 | 0 | -83.3 | 86.1 | 164.4 | 0 | 0 | 108.4 | | |
| 2 | C | 39.9 | Very low | 52 | Low | 133 Ų | 133 | 132.1 Ų | 132.1 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | | | trans | -107.9 | 118 | 164.4 | -64.3 | 0 | 0 | 0 | 0 | 106.1 | L4 | C2-L4 PolarHBondContact O-N 3.44Š|
| 3 | C | 51.1 | Low | 52.2 | Low | 118 Ų | 118 | 125.5 Ų | 125.5 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | | | trans | -58.7 | 122.2 | -177.5 | -62.6 | 0 | 0 | 0 | 0 | 109.5 | S5 | C3-S5 PolarHBondContact O-N 3.22Š|
| 4 | L | 51.5 | Low | 52.5 | Low | 154 Ų | 154 | 123.7 Ų | 123.7 | 81% | 0.806 | 73% | 0.727 | S | S | * | * | | | trans | -53.1 | 100.1 | 168.3 | -160 | 76.1 | 0 | 0 | 0 | 107.4 | C2 S6 | C2-L4 PolarHBondContact O-N 3.44Å; L4-S6 WeakPolarHBondContact CD2-OG 3.45Å; L4-S6 PolarHBondContact O-N 3.28Å |
| 5 | S | 49.8 | Very low | 52.8 | Low | 117 Ų | 117 | 125.1 Ų | 125.1 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | | | trans | -76.6 | 75.8 | 164.8 | -63.7 | 0 | 0 | 0 | 0 | 106.2 | C3 D7 | C3-S5 PolarHBondContact O-N 3.22Å; S5-D7 PolarHBondContact O-N 2.67Å |
| 6 | S | 51.4 | Low | 52.9 | Low | 80 Ų | 80 | 118.9 Ų | 118.9 | 56% | 0.559 | 70% | 0.695 | S | S | * | * | | | trans | -64.5 | 91.7 | 158.2 | -72.8 | 0 | 0 | 0 | 0 | 105.7 | L4 S8 | L4-S6 WeakPolarHBondContact CD2-OG 3.45Å; L4-S6 PolarHBondContact O-N 3.28Å; S6-S8 PolarHBondContact O-N 3.01Å |
| 7 | D | 54.8 | Low | 53.1 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | | | trans | -68.6 | 71.6 | 155.7 | -161.5 | -81.9 | 0 | 0 | 0 | 106.6 | S5 S9 | S5-D7 PolarHBondContact O-N 2.67Å; D7-S9 PolarHBondContact O-N 2.75Å; D7-S9 PolarHBondContact OD1-OG 3.03Å |
| 8 | S | 54.3 | Low | 53.2 | Low | 87 Ų | 87 | 117.1 Ų | 117.1 | 61% | 0.608 | 69% | 0.686 | S | S | * | * | | | trans | -71.5 | 87.8 | 154.7 | 48.1 | 0 | 0 | 0 | 0 | 104.1 | S6 E10 | S6-S8 PolarHBondContact O-N 3.01Å; S8-E10 PolarHBondContact O-N 2.77Å |
| 9 | S | 55.4 | Low | 53.4 | Low | 98 Ų | 98 | 117.5 Ų | 117.5 | 69% | 0.685 | 68% | 0.684 | S | S | * | * | | | trans | -48.9 | 91.1 | 160.8 | -72.5 | 0 | 0 | 0 | 0 | 107.2 | D7 F11 | D7-S9 PolarHBondContact O-N 2.75Å; D7-S9 PolarHBondContact OD1-OG 3.03Å; S9-F11 PolarHBondContact O-N 2.73Å |
| 10 | E | 57 | Low | 53.7 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | | | trans | -70 | 89.8 | 177.4 | -147.9 | 173.7 | 88 | 0 | 0 | 104.5 | S8 T12 | S8-E10 PolarHBondContact O-N 2.77Å; E10-T12 HydrophobicContact CG-CG2 3.94Å; E10-T12 PolarHBondContact O-N 2.79Å; E10-T12 PolarHBondContact OE1-OG1 2.78Å |
| 11 | F | 55.3 | Low | 54 | Low | 174 Ų | 174 | 120.7 Ų | 120.7 | 76% | 0.763 | 67% | 0.673 | S | S | * | * | | | trans | -71.3 | 58.5 | 169.7 | -170.5 | -97.3 | 0 | 0 | 0 | 108.2 | S9 | S9-F11 PolarHBondContact O-N 2.73Š|
| 12 | T | 61.2 | Low | 54.9 | Low | 103 Ų | 103 | 118.4 Ų | 118.4 | 63% | 0.632 | 66% | 0.657 | S | S | * | * | | | trans | -110.3 | 25.9 | 166.8 | 55.3 | 0 | 0 | 0 | 0 | 108.7 | E10 S14 | E10-T12 HydrophobicContact CG-CG2 3.94Å; E10-T12 PolarHBondContact O-N 2.79Å; E10-T12 PolarHBondContact OE1-OG1 2.78Å; T12-S14 PolarHBondContact O-N 3.17Å; T12-S14 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 54.4 | Low | 55.9 | Low | 46 Ų | 46 | 115.1 Ų | 115.1 | 32% | 0.322 | 65% | 0.645 | S | S | . | * | | | trans | -75.2 | 104.7 | 163.5 | -165 | 0 | 0 | 0 | 0 | 107.7 | E15 G16 | S13-E15 PolarHBondContact O-N 2.9Å; S13-E15 WeakPolarHBondContact OG-CB 3.4Å; S13-E15 WeakPolarHBondContact OG-CG 3.37Å; S13-E15 PolarHBondContact OG-OE2 3.35Å; S13-G16 PolarHBondContact O-N 3.29Å |
| 14 | S | 56.3 | Low | 56.5 | Low | 101 Ų | 101 | 113.8 Ų | 113.8 | 71% | 0.706 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -34.2 | -12.7 | 158.6 | 50.9 | 0 | 0 | 0 | 0 | 116.1 | T12 | T12-S14 PolarHBondContact O-N 3.17Å; T12-S14 VanDerWaalsContact O-N 3.1Å |
| 15 | E | 56.5 | Low | 57.1 | Low | 144 Ų | 144 | 109 Ų | 109 | 67% | 0.673 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -28.9 | 168.9 | -62.6 | 171.2 | 153.3 | 0 | 0 | 114.5 | S13 S18 | S13-E15 PolarHBondContact O-N 2.9Å; S13-E15 WeakPolarHBondContact OG-CB 3.4Å; S13-E15 WeakPolarHBondContact OG-CG 3.37Å; S13-E15 PolarHBondContact OG-OE2 3.35Å; E15-S18 PolarHBondContact O-N 2.91Å |
| 16 | G | 55.2 | Low | 57.7 | Low | 26 Ų | 26 | 105.7 Ų | 105.7 | 27% | 0.268 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -71 | -33.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S13 S18 | S13-G16 PolarHBondContact O-N 3.29Å; G16-S18 PolarHBondContact O-N 2.62Å |
| 17 | L | 55.9 | Low | 58.3 | Low | 124 Ų | 124 | 109.7 Ų | 109.7 | 65% | 0.649 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -82.1 | 22.6 | 173.3 | -68.9 | 171 | 0 | 0 | 0 | 112.4 | W20 | L17-W20 VanDerWaalsContact C-CD1 3.43Å; L17-W20 HydrophobicContact CD2-CZ2 3.89Å; L17-W20 PolarHBondContact O-NE1 3.38Å |
| 18 | S | 54.3 | Low | 58.6 | Low | 81 Ų | 81 | 105.3 Ų | 105.3 | 57% | 0.566 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -118.1 | -12.8 | 171.4 | -127.2 | 0 | 0 | 0 | 0 | 113.2 | E15 G16 | E15-S18 PolarHBondContact O-N 2.91Å; G16-S18 PolarHBondContact O-N 2.62Å |
| 19 | L | 57.3 | Low | 59 | Low | 126 Ų | 126 | 103.9 Ų | 103.9 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -83 | -31.5 | -174.5 | -72.7 | 164.5 | 0 | 0 | 0 | 114.3 | W21 K22 | L19-W21 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 3.12Å |
| 20 | W | 59.3 | Low | 59.2 | Low | 150 Ų | 150 | 102.3 Ų | 102.3 | 57% | 0.568 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56.8 | -26.9 | 173.4 | 54.6 | -30.1 | 0 | 0 | 0 | 114.9 | L17 F24 | L17-W20 VanDerWaalsContact C-CD1 3.43Å; L17-W20 HydrophobicContact CD2-CZ2 3.89Å; L17-W20 PolarHBondContact O-NE1 3.38Å; W20-F24 WeakPolarHBondContact O-CD2 3.47Å |
| 21 | W | 61 | Low | 59.4 | Low | 152 Ų | 152 | 101.4 Ų | 101.4 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -93.7 | -21.4 | 178.7 | -70.6 | 92.7 | 0 | 0 | 0 | 114.1 | L19 G23 F24 | L19-W21 PolarHBondContact O-N 3.1Å; W21-G23 PolarHBondContact O-N 3.25Å; W21-F24 PolarHBondContact O-N 3.32Å |
| 22 | K | 61.8 | Low | 59.8 | Low | 187 Ų | 187 | 101.6 Ų | 101.6 | 81% | 0.813 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.6 | -13.6 | -176.2 | -165.2 | 161.7 | 176.6 | 175.7 | 0 | 113.6 | L19 | L19-K22 PolarHBondContact O-N 3.12Å |
| 23 | G | 60.9 | Low | 59.8 | Low | 64 Ų | 64 | 102 Ų | 102 | 66% | 0.66 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 6.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W21 P25 | W21-G23 PolarHBondContact O-N 3.25Å; G23-P25 WeakPolarHBondContact O-CD 3.4Å |
| 24 | F | 62.6 | Low | 60.2 | Low | 90 Ų | 90 | 105.7 Ų | 105.7 | 40% | 0.395 | 55% | 0.55 | S | S | . | . | | | trans | -74.3 | 113.8 | 180 | -116.9 | -112.8 | 0 | 0 | 0 | 109.3 | W20 W21 L28 | W20-F24 WeakPolarHBondContact O-CD2 3.47Å; W21-F24 PolarHBondContact O-N 3.32Å; F24-L28 HydrophobicContact CD1-CB 4Å; F24-L28 HydrophobicContact CD1-CD2 3.85Å; F24-L28 HydrophobicContact CE1-CB 4.08Å; F24-L28 HydrophobicContact CE1-CD2 3.13Å; F24-L28 HydrophobicContact CE1-CG 4.17Å; F24-L28 HydrophobicContact CZ-CD2 3.54Å |
| 25 | P | 63.8 | Low | 60.4 | Low | 53 Ų | 53 | 104.5 Ų | 104.5 | 34% | 0.344 | 55% | 0.546 | S | S | . | . | | | trans | -75.5 | 137.9 | -178 | 35.4 | -37.2 | 0 | 0 | 0 | 109 | G23 W27 L28 | G23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-W27 VanDerWaalsContact CB-CD1 3.42Å; P25-W27 HydrophobicContact CB-CG 4.4Å; P25-W27 HydrophobicContact CG-CD2 4.27Å; P25-W27 VanDerWaalsContact CG-CE2 3.43Å; P25-W27 HydrophobicContact CG-CG 4.39Å; P25-W27 HydrophobicContact CG-CZ2 3.81Å; P25-W27 PolarHBondContact O-N 2.83Å; P25-L28 PolarHBondContact O-N 3.33Å |
| 26 | G | 63.4 | Low | 60.5 | Low | 48 Ų | 48 | 102 Ų | 102 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.2 | -10.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116 | T29 S30 | G26-T29 WeakPolarHBondContact CA-OG1 3.32Å; G26-T29 PolarHBondContact O-OG1 2.82Å; G26-S30 PolarHBondContact O-N 3.01Å; G26-S30 PolarHBondContact O-OG 3.39Å |
| 27 | W | 64 | Low | 60.7 | Low | 164 Ų | 164 | 104.3 Ų | 104.3 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -72.3 | -34.2 | 170.5 | 60.1 | -91 | 0 | 0 | 0 | 112.3 | P25 S30 E31 | P25-W27 VanDerWaalsContact CB-CD1 3.42Å; P25-W27 HydrophobicContact CB-CG 4.4Å; P25-W27 HydrophobicContact CG-CD2 4.27Å; P25-W27 VanDerWaalsContact CG-CE2 3.43Å; P25-W27 HydrophobicContact CG-CG 4.39Å; P25-W27 HydrophobicContact CG-CZ2 3.81Å; P25-W27 PolarHBondContact O-N 2.83Å; W27-S30 PolarHBondContact O-N 3.12Å; W27-E31 PolarHBondContact O-N 2.88Å; W27-E31 VanDerWaalsContact O-N 3.12Å |
| 28 | L | 61.6 | Low | 60.5 | Low | 45 Ų | 45 | 101 Ų | 101 | 24% | 0.236 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 176.3 | -134.7 | 91.3 | 0 | 0 | 0 | 110.8 | F24 P25 S30 W32 | F24-L28 HydrophobicContact CD1-CB 4Å; F24-L28 HydrophobicContact CD1-CD2 3.85Å; F24-L28 HydrophobicContact CE1-CB 4.08Å; F24-L28 HydrophobicContact CE1-CD2 3.13Å; F24-L28 HydrophobicContact CE1-CG 4.17Å; F24-L28 HydrophobicContact CZ-CD2 3.54Å; P25-L28 PolarHBondContact O-N 3.33Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.5Å; L28-W32 WeakPolarHBondContact O-CB 3.43Å; L28-W32 PolarHBondContact O-N 3.25Å |
| 29 | T | 61.3 | Low | 60.7 | Low | 56 Ų | 56 | 103.5 Ų | 103.5 | 34% | 0.344 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65 | -32.1 | 176.5 | 49.6 | 0 | 0 | 0 | 0 | 112.2 | G26 L33 | G26-T29 WeakPolarHBondContact CA-OG1 3.32Å; G26-T29 PolarHBondContact O-OG1 2.82Å; T29-L33 VanDerWaalsContact O-CB 3.32Å; T29-L33 WeakPolarHBondContact O-CB 3.49Å; T29-L33 PolarHBondContact O-N 3.38Å |
| 30 | S | 60.1 | Low | 60.5 | Low | 66 Ų | 66 | 107.8 Ų | 107.8 | 46% | 0.462 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -72.6 | -44.7 | -180 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | G26 W27 L28 L33 L34 | G26-S30 PolarHBondContact O-N 3.01Å; G26-S30 PolarHBondContact O-OG 3.39Å; W27-S30 PolarHBondContact O-N 3.12Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.5Å; S30-L33 PolarHBondContact O-N 3.05Å; S30-L34 WeakPolarHBondContact O-CB 3.33Å; S30-L34 WeakPolarHBondContact O-CD1 3.11Å; S30-L34 PolarHBondContact O-N 2.98Å |
| 31 | E | 60.6 | Low | 60.4 | Low | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.9 | -37.8 | 176.1 | -70.3 | -156.9 | 100.6 | 0 | 0 | 112.8 | W27 L34 A35 | W27-E31 PolarHBondContact O-N 2.88Å; W27-E31 VanDerWaalsContact O-N 3.12Å; E31-L34 PolarHBondContact O-N 3.28Å; E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 2.63Å |
| 32 | W | 63.8 | Low | 60.2 | Low | 178 Ų | 178 | 103.7 Ų | 103.7 | 67% | 0.674 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 174 | -89.8 | 90.1 | 0 | 0 | 0 | 112.6 | L28 A35 S36 | L28-W32 WeakPolarHBondContact O-CB 3.43Å; L28-W32 PolarHBondContact O-N 3.25Å; W32-A35 PolarHBondContact O-N 2.88Å; W32-S36 WeakPolarHBondContact O-CB 3.39Å; W32-S36 PolarHBondContact O-N 3.21Å; W32-S36 PolarHBondContact O-OG 3.22Å |
| 33 | L | 61.7 | Low | 59.9 | Low | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.9 | -48.4 | 172.9 | -109.8 | 144.1 | 0 | 0 | 0 | 110.4 | T29 S30 A35 S36 T37 | T29-L33 VanDerWaalsContact O-CB 3.32Å; T29-L33 WeakPolarHBondContact O-CB 3.49Å; T29-L33 PolarHBondContact O-N 3.38Å; S30-L33 PolarHBondContact O-N 3.05Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.9Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 VanDerWaalsContact O-N 3.17Å; L33-S36 PolarHBondContact O-OG 3.3Å; L33-T37 HydrophobicContact CD2-CG2 4.47Å; L33-T37 WeakPolarHBondContact O-CB 3.21Å; L33-T37 WeakPolarHBondContact O-CG2 3.36Å; L33-T37 PolarHBondContact O-N 2.64Å; L33-T37 PolarHBondContact O-OG1 3.22Å |
| 34 | L | 62.8 | Low | 59.7 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 65% | 0.649 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59 | -39.4 | 176.9 | -84.9 | 154.5 | 0 | 0 | 0 | 113.3 | S30 E31 T37 G38 | S30-L34 WeakPolarHBondContact O-CB 3.33Å; S30-L34 WeakPolarHBondContact O-CD1 3.11Å; S30-L34 PolarHBondContact O-N 2.98Å; E31-L34 PolarHBondContact O-N 3.28Å; L34-T37 WeakPolarHBondContact CA-OG1 3.22Å; L34-T37 CarbonylContact O-C 3.29Å; L34-T37 VanDerWaalsContact O-C 3.29Å; L34-T37 PolarHBondContact O-OG1 2.75Å; L34-G38 PolarHBondContact O-N 3.1Å; L34-G38 VanDerWaalsContact O-N 3.1Å |
| 35 | A | 60.8 | Low | 59.4 | Low | 75 Ų | 75 | 107.7 Ų | 107.7 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -70.1 | -36.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | E31 W32 L33 G38 | E31-A35 WeakPolarHBondContact O-CB 3.37Å; E31-A35 PolarHBondContact O-N 2.63Å; W32-A35 PolarHBondContact O-N 2.88Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 2.9Å; A35-G38 PolarHBondContact O-N 2.89Å; A35-G38 VanDerWaalsContact O-N 3.12Å |
| 36 | S | 59.3 | Low | 59.5 | Low | 92 Ų | 92 | 113.1 Ų | 113.1 | 64% | 0.643 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.4 | -33.5 | 176.3 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | W32 L33 G38 | W32-S36 WeakPolarHBondContact O-CB 3.39Å; W32-S36 PolarHBondContact O-N 3.21Å; W32-S36 PolarHBondContact O-OG 3.22Å; L33-S36 PolarHBondContact O-N 3.23Å; L33-S36 VanDerWaalsContact O-N 3.17Å; L33-S36 PolarHBondContact O-OG 3.3Å; S36-G38 PolarHBondContact O-N 3.34Å |
| 37 | T | 58.7 | Low | 58.9 | Low | 75 Ų | 75 | 119.6 Ų | 119.6 | 46% | 0.46 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.6 | 23.7 | 166.7 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | L33 L34 I39 | L33-T37 HydrophobicContact CD2-CG2 4.47Å; L33-T37 WeakPolarHBondContact O-CB 3.21Å; L33-T37 WeakPolarHBondContact O-CG2 3.36Å; L33-T37 PolarHBondContact O-N 2.64Å; L33-T37 PolarHBondContact O-OG1 3.22Å; L34-T37 WeakPolarHBondContact CA-OG1 3.22Å; L34-T37 CarbonylContact O-C 3.29Å; L34-T37 VanDerWaalsContact O-C 3.29Å; L34-T37 PolarHBondContact O-OG1 2.75Å; T37-I39 WeakPolarHBondContact O-CG1 3.44Å; T37-I39 PolarHBondContact O-N 2.77Å |
| 38 | G | 51.7 | Low | 58.6 | Low | 53 Ų | 53 | 117.4 Ų | 117.4 | 55% | 0.546 | 64% | 0.642 | S | S | . | * | | | trans | -55.8 | 82.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | L34 A35 S36 R40 | L34-G38 PolarHBondContact O-N 3.1Å; L34-G38 VanDerWaalsContact O-N 3.1Å; A35-G38 PolarHBondContact O-N 2.89Å; A35-G38 VanDerWaalsContact O-N 3.12Å; S36-G38 PolarHBondContact O-N 3.34Å; G38-R40 PolarHBondContact O-N 2.85Å |
| 39 | I | 58 | Low | 58.5 | Low | 135 Ų | 135 | 121.2 Ų | 121.2 | 69% | 0.692 | 66% | 0.664 | S | S | * | * | | | trans | -42.7 | 119 | 173.6 | -74 | 147.6 | 0 | 0 | 0 | 104 | T37 I41 | T37-I39 WeakPolarHBondContact O-CG1 3.44Å; T37-I39 PolarHBondContact O-N 2.77Å; I39-I41 HydrophobicContact CB-CG1 4.27Å; I39-I41 HydrophobicContact CG2-CG1 3.71Å; I39-I41 PolarHBondContact O-N 3.04Å |
| 40 | R | 53.5 | Low | 58.3 | Low | 216 Ų | 216 | 124.8 Ų | 124.8 | 82% | 0.815 | 68% | 0.682 | S | S | * | * | | | trans | -58.7 | 82.8 | 160.3 | -152.9 | -176.6 | -171.1 | -129.7 | 4.3 | 104.3 | G38 T42 | G38-R40 PolarHBondContact O-N 2.85Å; R40-T42 HydrophobicContact CG-CG2 4.14Å; R40-T42 PolarHBondContact O-N 2.7Å |
| 41 | I | 57.2 | Low | 58.2 | Low | 133 Ų | 133 | 128.2 Ų | 128.2 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | | | trans | -71.1 | 77.2 | 164.1 | -45.4 | 171.4 | 0 | 0 | 0 | 101.8 | I39 T43 | I39-I41 HydrophobicContact CB-CG1 4.27Å; I39-I41 HydrophobicContact CG2-CG1 3.71Å; I39-I41 PolarHBondContact O-N 3.04Å; I41-T43 PolarHBondContact O-N 2.83Å |
| 42 | T | 57.2 | Low | 58.1 | Low | 83 Ų | 83 | 128.1 Ų | 128.1 | 51% | 0.509 | 70% | 0.7 | S | S | . | * | | | trans | -57.2 | 90.9 | 148.4 | 49.8 | 0 | 0 | 0 | 0 | 103 | R40 S44 | R40-T42 HydrophobicContact CG-CG2 4.14Å; R40-T42 PolarHBondContact O-N 2.7Å; T42-S44 PolarHBondContact O-N 2.8Å; T42-S44 PolarHBondContact O-OG 2.93Å |
| 43 | T | 55 | Low | 57.7 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 68% | 0.675 | 70% | 0.702 | S | S | * | * | | | trans | -62.8 | 69.8 | 151.7 | -66.4 | 0 | 0 | 0 | 0 | 104.9 | I41 R45 | I41-T43 PolarHBondContact O-N 2.83Å; T43-R45 HydrophobicContact CG2-CB 3.65Å; T43-R45 PolarHBondContact O-N 2.91Å |
| 44 | S | 56.5 | Low | 57.4 | Low | 95 Ų | 95 | 125.8 Ų | 125.8 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | | | trans | -70.1 | 66.6 | 144 | 39.2 | 0 | 0 | 0 | 0 | 105.5 | T42 L46 | T42-S44 PolarHBondContact O-N 2.8Å; T42-S44 PolarHBondContact O-OG 2.93Å; S44-L46 VanDerWaalsContact C-N 3.28Å; S44-L46 PolarHBondContact O-N 2.97Å |
| 45 | R | 57 | Low | 57 | Low | 220 Ų | 220 | 125.9 Ų | 125.9 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | | | trans | -92.5 | 83.2 | 157.1 | -156.7 | 175.4 | -166 | -136.1 | 2.8 | 105.6 | T43 S47 | T43-R45 HydrophobicContact CG2-CB 3.65Å; T43-R45 PolarHBondContact O-N 2.91Å; R45-S47 PolarHBondContact O-N 3.24Å |
| 46 | L | 65.1 | Low | 56.7 | Low | 166 Ų | 166 | 130.2 Ų | 130.2 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | | | trans | -48.9 | 112.4 | 148 | -80.4 | 151.4 | 0 | 0 | 0 | 107.3 | S44 | S44-L46 VanDerWaalsContact C-N 3.28Å; S44-L46 PolarHBondContact O-N 2.97Å |
| 47 | S | 51 | Low | 56.4 | Low | 184 Ų | 184 | 133.6 Ų | 133.6 | 100% | 1.287 | 73% | 0.73 | S | S | * | * | | | trans | 171.6 | 0 | 135.5 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | R45 | R45-S47 PolarHBondContact O-N 3.24Š|