| 1 | M | 41.3 | Very low | 43 | Very low | 228 Ų | 228 | 144.2 Ų | 144.2 | 100% | 1.123 | 79% | 0.786 | S | S | * | * | | | | 0 | 100.1 | 0 | -91.6 | 88.3 | 142.7 | 0 | 0 | 107.7 | | |
| 2 | S | 41.7 | Very low | 43 | Very low | 88 Ų | 88 | 147.8 Ų | 147.8 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | | | | 86 | 135.1 | 74.3 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 3 | H | 42.4 | Very low | 43.1 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | cis | -147.7 | 135.1 | 10.7 | -83.8 | -80 | 0 | 0 | 0 | 106.9 | | |
| 4 | I | 50.2 | Low | 43.2 | Very low | 146 Ų | 146 | 145 Ų | 145 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | | | trans | -90.4 | 114.2 | 179.2 | -60.1 | 173.8 | 0 | 0 | 0 | 108.1 | Y6 | I4-Y6 HydrophobicContact CG2-CD2 3.37Å; I4-Y6 HydrophobicContact CG2-CE2 3.64Å |
| 5 | N | 40.3 | Very low | 43.1 | Very low | 158 Ų | 158 | 146.3 Ų | 146.3 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | trans | -79.5 | 121.2 | 159.1 | -79.3 | -31.2 | 0 | 0 | 0 | 107.8 | | |
| 6 | Y | 46.4 | Very low | 42.9 | Very low | 216 Ų | 216 | 147.8 Ų | 147.8 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | | | trans | -114.7 | 109.6 | 157.8 | -99.5 | -79.9 | 0 | 0 | 0 | 108.5 | I4 | I4-Y6 HydrophobicContact CG2-CD2 3.37Å; I4-Y6 HydrophobicContact CG2-CE2 3.64Å |
| 7 | S | 37.7 | Very low | 42.8 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 70% | 0.699 | 80% | 0.803 | S | S | * | * | | | trans | -90.6 | 152.9 | 165.1 | -168 | 0 | 0 | 0 | 0 | 108.4 | | |
| 8 | S | 42.4 | Very low | 42.5 | Very low | 86 Ų | 86 | 149.1 Ų | 149.1 | 60% | 0.601 | 80% | 0.8 | S | S | * | * | | | trans | 88.8 | 110.7 | 149.5 | -52.3 | 0 | 0 | 0 | 0 | 119 | | |
| 9 | N | 39.9 | Very low | 42.1 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | | | | 68 | 101.5 | 123.2 | -52.9 | -8.2 | 0 | 0 | 0 | 118.3 | | |
| 10 | T | 42.1 | Very low | 41.8 | Very low | 133 Ų | 133 | 149.7 Ų | 149.7 | 82% | 0.816 | 81% | 0.806 | S | S | * | * | | | trans | -141.8 | 109.8 | 147.6 | 54.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 11 | S | 48.3 | Very low | 41.4 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | 33.2 | 109 | 139.2 | 56.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 12 | E | 43.1 | Very low | 41.1 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | | 35.4 | 135.9 | 112.9 | -134.3 | 169.3 | -165.8 | 0 | 0 | 119.9 | | |
| 13 | S | 45 | Very low | 40.9 | Very low | 108 Ų | 108 | 146.8 Ų | 146.8 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | 87.5 | 132.1 | 173.7 | 65.9 | 0 | 0 | 0 | 0 | 117.3 | | |
| 14 | D | 44.1 | Very low | 40.5 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | 85.9 | 64.3 | 172.7 | -53.7 | -18.2 | 0 | 0 | 0 | 118.3 | | |
| 15 | L | 41.3 | Very low | 40.1 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -154.9 | 81.8 | 141 | -76.5 | -169.2 | 0 | 0 | 0 | 110.5 | E17 | L15-E17 PolarHBondContact O-N 3.39Š|
| 16 | N | 40.2 | Very low | 39.9 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 90% | 0.904 | 79% | 0.791 | S | S | * | * | | | trans | -76.5 | 98.9 | 149.3 | -87.5 | -20.3 | 0 | 0 | 0 | 106.7 | | |
| 17 | E | 41.3 | Very low | 39.7 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 163 | 144.1 | 152.7 | -95.6 | 172.6 | -179.8 | 0 | 0 | 107.2 | L15 | L15-E17 PolarHBondContact O-N 3.39Š|
| 18 | I | 36.6 | Very low | 40.1 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 76% | 0.759 | 80% | 0.798 | S | S | * | * | | | trans | 85.5 | 67.7 | 179.2 | -42.5 | 161.2 | 0 | 0 | 0 | 113.7 | F20 | I18-F20 HydrophobicContact CG2-CB 3.98Å; I18-F20 HydrophobicContact CG2-CD2 4.15Å; I18-F20 PolarHBondContact O-N 3.38Å |
| 19 | S | 34.8 | Very low | 40.2 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 94% | 0.944 | 81% | 0.811 | S | S | * | * | | | trans | -83.3 | 91.1 | 149.7 | -152.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 20 | F | 37.5 | Very low | 40.4 | Very low | 175 Ų | 175 | 152 Ų | 152 | 77% | 0.768 | 81% | 0.813 | S | S | * | * | | | trans | -112.5 | 134.9 | 172 | -121.4 | -87.4 | 0 | 0 | 0 | 109.4 | I18 | I18-F20 HydrophobicContact CG2-CB 3.98Å; I18-F20 HydrophobicContact CG2-CD2 4.15Å; I18-F20 PolarHBondContact O-N 3.38Å |
| 21 | S | 32.2 | Very low | 40.7 | Very low | 94 Ų | 94 | 150.2 Ų | 150.2 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | trans | 80 | 131 | 146.7 | 74.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 22 | L | 34.7 | Very low | 40.9 | Very low | 154 Ų | 154 | 147.2 Ų | 147.2 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | | | trans | 70.4 | 99.9 | 166.9 | -80 | 74.9 | 0 | 0 | 0 | 115 | | |
| 23 | I | 38.2 | Very low | 41.6 | Very low | 157 Ų | 157 | 148 Ų | 148 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | | | | -170.5 | 127.2 | 125 | -89.2 | 144.8 | 0 | 0 | 0 | 107.8 | | |
| 24 | D | 34.6 | Very low | 42.2 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | | | trans | 54 | 111.8 | 156.7 | -70.5 | -27.6 | 0 | 0 | 0 | 120.3 | | |
| 25 | S | 42 | Very low | 43.1 | Very low | 111 Ų | 111 | 148 Ų | 148 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | | 170.6 | 136.7 | 94.3 | -72.9 | 0 | 0 | 0 | 0 | 110.6 | E27 | S25-E27 PolarHBondContact O-N 3.38Š|
| 26 | N | 35.2 | Very low | 44.3 | Very low | 155 Ų | 155 | 143.9 Ų | 143.9 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | | | trans | -49.6 | 116.3 | 177.8 | -54.6 | -61.5 | 0 | 0 | 0 | 112.4 | | |
| 27 | E | 42.8 | Very low | 45.6 | Very low | 192 Ų | 192 | 141.7 Ų | 141.7 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | | | trans | -98.8 | 88.5 | 163 | -157.7 | 169.1 | -157.5 | 0 | 0 | 106.6 | S25 Q29 | S25-E27 PolarHBondContact O-N 3.38Å; E27-Q29 PolarHBondContact O-N 3.26Å |
| 28 | E | 45.4 | Very low | 46.8 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | | | trans | -56.6 | 123.5 | 171.2 | -67.3 | -175.8 | 160.5 | 0 | 0 | 108.5 | E30 | E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.43Å |
| 29 | Q | 44.5 | Very low | 48.3 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.874 | 70% | 0.704 | S | S | * | * | | | trans | -65.7 | 90.2 | 169.1 | -80.5 | 178.8 | -15.7 | 0 | 0 | 108.5 | E27 I31 | E27-Q29 PolarHBondContact O-N 3.26Å; Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.2Å |
| 30 | E | 44.6 | Very low | 50.2 | Low | 180 Ų | 180 | 137.4 Ų | 137.4 | 84% | 0.841 | 69% | 0.685 | S | S | * | * | | | trans | -70.1 | 92 | 167.2 | -154 | 176.6 | -159 | 0 | 0 | 107.6 | E28 S32 | E28-E30 VanDerWaalsContact C-N 3.26Å; E28-E30 PolarHBondContact O-N 3.43Å; E30-S32 PolarHBondContact O-N 3.46Å; E30-S32 VanDerWaalsContact O-N 3.11Å |
| 31 | I | 48.6 | Very low | 51.9 | Low | 96 Ų | 96 | 133.7 Ų | 133.7 | 49% | 0.492 | 67% | 0.673 | S | S | . | * | | | trans | -58.3 | 114.5 | 168.5 | -61.6 | 171.2 | 0 | 0 | 0 | 105.8 | Q29 Y33 E35 V36 | Q29-I31 VanDerWaalsContact C-N 3.31Å; Q29-I31 PolarHBondContact O-N 3.2Å; I31-Y33 PolarHBondContact O-N 3.47Å; I31-E35 HydrophobicContact CG2-CB 3.83Å; I31-E35 HydrophobicContact CG2-CG 4.13Å; I31-V36 HydrophobicContact CG2-CG2 3.78Å |
| 32 | S | 51.6 | Low | 53.7 | Low | 44 Ų | 44 | 133.9 Ų | 133.9 | 31% | 0.308 | 67% | 0.667 | S | S | . | * | | | trans | -61.6 | 142.4 | -178.2 | 75.3 | 0 | 0 | 0 | 0 | 109.4 | E30 E34 E35 | E30-S32 PolarHBondContact O-N 3.46Å; E30-S32 VanDerWaalsContact O-N 3.11Å; S32-E34 PolarHBondContact O-N 3.28Å; S32-E35 PolarHBondContact O-N 2.85Å |
| 33 | Y | 58.1 | Low | 55.4 | Low | 203 Ų | 203 | 132.7 Ų | 132.7 | 80% | 0.796 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -49.2 | -27 | -178.7 | -76.9 | -84.4 | 0 | 0 | 0 | 113.6 | I31 E37 | I31-Y33 PolarHBondContact O-N 3.47Å; Y33-E37 PolarHBondContact O-N 3.42Å; Y33-E37 VanDerWaalsContact O-N 3.16Å |
| 34 | E | 57.3 | Low | 57.1 | Low | 147 Ų | 147 | 129.4 Ų | 129.4 | 69% | 0.687 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -69.3 | -35.7 | 174.7 | -78.3 | 158.3 | 159.2 | 0 | 0 | 114.5 | S32 V36 E37 E38 | S32-E34 PolarHBondContact O-N 3.28Å; E34-V36 VanDerWaalsContact C-N 3.33Å; E34-E37 PolarHBondContact O-N 3.41Å; E34-E38 PolarHBondContact O-N 2.97Å |
| 35 | E | 63.6 | Low | 58.8 | Low | 109 Ų | 109 | 128.6 Ų | 128.6 | 51% | 0.509 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -72.2 | -31.1 | 177.3 | -171.3 | 165.6 | -160.6 | 0 | 0 | 110.9 | I31 S32 E37 L39 | I31-E35 HydrophobicContact CG2-CB 3.83Å; I31-E35 HydrophobicContact CG2-CG 4.13Å; S32-E35 PolarHBondContact O-N 2.85Å; E35-E37 VanDerWaalsContact C-N 3.35Å; E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.25Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.11Å |
| 36 | V | 66 | Low | 60.2 | Low | 79 Ų | 79 | 126.8 Ų | 126.8 | 48% | 0.479 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.9 | -37.5 | 170.4 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | I31 E34 K40 | I31-V36 HydrophobicContact CG2-CG2 3.78Å; E34-V36 VanDerWaalsContact C-N 3.33Å; V36-K40 VanDerWaalsContact O-CB 3.25Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 PolarHBondContact O-N 3.28Å |
| 37 | E | 67.5 | Low | 62.2 | Low | 123 Ų | 123 | 126.4 Ų | 126.4 | 58% | 0.575 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -75.2 | -36.2 | -178.6 | -151.8 | 165.2 | -146 | 0 | 0 | 112.3 | Y33 E34 E35 K40 N41 | Y33-E37 PolarHBondContact O-N 3.42Å; Y33-E37 VanDerWaalsContact O-N 3.16Å; E34-E37 PolarHBondContact O-N 3.41Å; E35-E37 VanDerWaalsContact C-N 3.35Å; E37-K40 PolarHBondContact O-N 3.48Å; E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3.12Å; E37-N41 PolarHBondContact O-ND2 2.85Å; E37-N41 VanDerWaalsContact O-ND2 3.14Å |
| 38 | E | 66.5 | Low | 63.6 | Low | 133 Ų | 133 | 123 Ų | 123 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66 | -45.7 | 172.4 | -161.7 | 165.8 | -153.7 | 0 | 0 | 111.2 | E34 K40 N41 D42 | E34-E38 PolarHBondContact O-N 2.97Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.25Å; E38-N41 PolarHBondContact O-N 3.08Å; E38-D42 PolarHBondContact O-N 2.9Å |
| 39 | L | 68.8 | Low | 65.1 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.2 | -34.1 | 173 | -73.7 | 171.6 | 0 | 0 | 0 | 112.7 | E35 M43 | E35-L39 WeakPolarHBondContact O-CB 3.43Å; E35-L39 VanDerWaalsContact O-CG 3.25Å; E35-L39 WeakPolarHBondContact O-CG 3.4Å; E35-L39 PolarHBondContact O-N 3.11Å; L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 PolarHBondContact O-N 3.46Å |
| 40 | K | 75.5 | Confident | 66.5 | Low | 125 Ų | 125 | 120.7 Ų | 120.7 | 54% | 0.543 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -69.1 | -40.8 | 175.7 | -170.6 | 177.6 | 179.8 | -175.5 | 0 | 111.4 | V36 E37 E38 M43 I44 | V36-K40 VanDerWaalsContact O-CB 3.25Å; V36-K40 WeakPolarHBondContact O-CB 3.42Å; V36-K40 PolarHBondContact O-N 3.28Å; E37-K40 PolarHBondContact O-N 3.48Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 3.25Å; K40-M43 PolarHBondContact O-N 2.95Å; K40-I44 HydrophobicContact CG-CD1 4.12Å; K40-I44 WeakPolarHBondContact O-CB 3.48Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.16Å; K40-I44 PolarHBondContact O-N 3.4Å |
| 41 | N | 71.3 | Confident | 67.8 | Low | 96 Ų | 96 | 116.1 Ų | 116.1 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 175.9 | -72.3 | -34.6 | 0 | 0 | 0 | 111.8 | E37 E38 I44 F45 | E37-N41 VanDerWaalsContact O-CG 3.29Å; E37-N41 PolarHBondContact O-N 3.12Å; E37-N41 PolarHBondContact O-ND2 2.85Å; E37-N41 VanDerWaalsContact O-ND2 3.14Å; E38-N41 PolarHBondContact O-N 3.08Å; N41-I44 PolarHBondContact O-N 3.16Å; N41-F45 WeakPolarHBondContact O-CB 3.3Å; N41-F45 PolarHBondContact O-N 3.16Å |
| 42 | D | 70.5 | Confident | 68.7 | Low | 98 Ų | 98 | 116.8 Ų | 116.8 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 174.6 | -78.7 | -11.2 | 0 | 0 | 0 | 111.8 | E38 F45 E46 | E38-D42 PolarHBondContact O-N 2.9Å; D42-F45 PolarHBondContact O-N 3.47Å; D42-E46 WeakPolarHBondContact O-CB 3.42Å; D42-E46 PolarHBondContact O-N 3.31Å |
| 43 | M | 71.9 | Confident | 69.5 | Low | 130 Ų | 130 | 119.8 Ų | 119.8 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.6 | -37.7 | 175.3 | -171.3 | -175.2 | 63.6 | 0 | 0 | 112.1 | L39 K40 K47 | L39-M43 VanDerWaalsContact O-CB 3.27Å; L39-M43 WeakPolarHBondContact O-CB 3.35Å; L39-M43 PolarHBondContact O-N 3.46Å; K40-M43 PolarHBondContact O-N 2.95Å; M43-K47 VanDerWaalsContact O-CB 3.23Å; M43-K47 WeakPolarHBondContact O-CB 3.41Å; M43-K47 PolarHBondContact O-N 3.2Å |
| 44 | I | 72.8 | Confident | 70 | Confident | 88 Ų | 88 | 115.7 Ų | 115.7 | 45% | 0.451 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 174.2 | -70.8 | 163.9 | 0 | 0 | 0 | 109.9 | K40 N41 K47 E48 | K40-I44 HydrophobicContact CG-CD1 4.12Å; K40-I44 WeakPolarHBondContact O-CB 3.48Å; K40-I44 WeakPolarHBondContact O-CD1 3.35Å; K40-I44 WeakPolarHBondContact O-CG1 3.16Å; K40-I44 PolarHBondContact O-N 3.4Å; N41-I44 PolarHBondContact O-N 3.16Å; I44-K47 PolarHBondContact O-N 3.44Å; I44-E48 WeakPolarHBondContact O-CB 3.31Å; I44-E48 PolarHBondContact O-N 2.66Å |
| 45 | F | 69.7 | Low | 69.9 | Low | 124 Ų | 124 | 113.9 Ų | 113.9 | 54% | 0.544 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 179.4 | -170.7 | -100.2 | 0 | 0 | 0 | 112.2 | N41 D42 E48 R49 | N41-F45 WeakPolarHBondContact O-CB 3.3Å; N41-F45 PolarHBondContact O-N 3.16Å; D42-F45 PolarHBondContact O-N 3.47Å; F45-E48 PolarHBondContact O-N 3.48Å; F45-R49 WeakPolarHBondContact O-CB 3.34Å; F45-R49 PolarHBondContact O-N 2.68Å |
| 46 | E | 72.9 | Confident | 69.5 | Low | 72 Ų | 72 | 113 Ų | 113 | 34% | 0.336 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 174.5 | -86.7 | -59.7 | 147.2 | 0 | 0 | 112.7 | D42 R49 R50 | D42-E46 WeakPolarHBondContact O-CB 3.42Å; D42-E46 PolarHBondContact O-N 3.31Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NH1 3.8Å; E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 VanDerWaalsContact O-CG 3.25Å; E46-R50 WeakPolarHBondContact O-CG 3.49Å; E46-R50 PolarHBondContact O-N 3.38Å |
| 47 | K | 75.8 | Confident | 68.7 | Low | 148 Ų | 148 | 118.8 Ų | 118.8 | 64% | 0.643 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.5 | -43.4 | 171.8 | -171.7 | 177 | -179.3 | -178.8 | 0 | 111.1 | M43 I44 R50 E51 | M43-K47 VanDerWaalsContact O-CB 3.23Å; M43-K47 WeakPolarHBondContact O-CB 3.41Å; M43-K47 PolarHBondContact O-N 3.2Å; I44-K47 PolarHBondContact O-N 3.44Å; K47-R50 PolarHBondContact O-N 2.94Å; K47-E51 WeakPolarHBondContact O-CB 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.32Å |
| 48 | E | 73.8 | Confident | 67.7 | Low | 119 Ų | 119 | 117.7 Ų | 117.7 | 56% | 0.556 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.8 | -41.8 | 176.2 | -166.6 | 173 | -164.9 | 0 | 0 | 111.3 | I44 F45 E51 L52 | I44-E48 WeakPolarHBondContact O-CB 3.31Å; I44-E48 PolarHBondContact O-N 2.66Å; F45-E48 PolarHBondContact O-N 3.48Å; E48-E51 PolarHBondContact O-N 3.09Å; E48-L52 WeakPolarHBondContact O-CB 3.04Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.31Å |
| 49 | R | 77 | Confident | 66.7 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 57% | 0.566 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 173.9 | -170.8 | -177.1 | -178.8 | 162.5 | 2.6 | 112.5 | F45 E46 L52 L53 | F45-R49 WeakPolarHBondContact O-CB 3.34Å; F45-R49 PolarHBondContact O-N 2.68Å; E46-R49 PolarHBondContact O-N 3.38Å; E46-R49 IonicContact OE1-NH1 3.8Å; R49-L52 PolarHBondContact O-N 3.44Å; R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 PolarHBondContact O-N 2.88Å |
| 50 | R | 72.5 | Confident | 65.6 | Low | 163 Ų | 163 | 115.9 Ų | 115.9 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.8 | -38.7 | 176.8 | -74.2 | -176.6 | -150.7 | -163 | 9.6 | 112.1 | E46 K47 L53 K54 | E46-R50 WeakPolarHBondContact O-CB 3.28Å; E46-R50 VanDerWaalsContact O-CG 3.25Å; E46-R50 WeakPolarHBondContact O-CG 3.49Å; E46-R50 PolarHBondContact O-N 3.38Å; K47-R50 PolarHBondContact O-N 2.94Å; R50-L53 PolarHBondContact O-N 3.19Å; R50-K54 VanDerWaalsContact O-CG 3.32Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.94Å |
| 51 | E | 71.7 | Confident | 64.1 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 39% | 0.393 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -40.7 | 174.4 | -76.3 | -57.1 | 132.2 | 0 | 0 | 111.8 | K47 E48 L53 K54 N55 | K47-E51 WeakPolarHBondContact O-CB 3.34Å; K47-E51 WeakPolarHBondContact O-CG 3.35Å; K47-E51 PolarHBondContact O-N 3.32Å; E48-E51 PolarHBondContact O-N 3.09Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 3.45Å; E51-K54 PolarHBondContact O-N 2.82Å; E51-K54 IonicContact OE1-NZ 2.77Å; E51-K54 PolarHBondContact OE1-NZ 3.27Å; E51-N55 PolarHBondContact O-N 2.94Å |
| 52 | L | 67.8 | Low | 62.7 | Low | 109 Ų | 109 | 116.3 Ų | 116.3 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -39 | 171.6 | -72.9 | 173.1 | 0 | 0 | 0 | 111.9 | E48 R49 N55 T56 | E48-L52 WeakPolarHBondContact O-CB 3.04Å; E48-L52 WeakPolarHBondContact O-CG 3.5Å; E48-L52 PolarHBondContact O-N 3.31Å; R49-L52 PolarHBondContact O-N 3.44Å; L52-N55 PolarHBondContact O-N 3.5Å; L52-T56 WeakPolarHBondContact O-CB 3.23Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 3.36Å |
| 53 | L | 69.1 | Low | 61.2 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 56% | 0.56 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.2 | -33.5 | 178.5 | -146.8 | 74.3 | 0 | 0 | 0 | 112.9 | R49 R50 E51 R57 | R49-L53 WeakPolarHBondContact O-CB 3.25Å; R49-L53 PolarHBondContact O-N 2.88Å; R50-L53 PolarHBondContact O-N 3.19Å; E51-L53 VanDerWaalsContact C-N 3.31Å; E51-L53 PolarHBondContact O-N 3.45Å; L53-R57 PolarHBondContact O-N 3.34Å; L53-R57 VanDerWaalsContact O-N 3.12Å |
| 54 | K | 67.5 | Low | 59.6 | Low | 117 Ų | 117 | 115 Ų | 115 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -67.9 | -42.5 | 172.2 | -71.6 | 173.2 | -168.4 | 172.8 | 0 | 111.6 | R50 E51 T56 R57 T58 | R50-K54 VanDerWaalsContact O-CG 3.32Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.94Å; E51-K54 PolarHBondContact O-N 2.82Å; E51-K54 IonicContact OE1-NZ 2.77Å; E51-K54 PolarHBondContact OE1-NZ 3.27Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 3.43Å; K54-R57 PolarHBondContact O-N 2.88Å; K54-T58 PolarHBondContact O-N 3Å; K54-T58 PolarHBondContact O-OG1 3.33Å |
| 55 | N | 56.4 | Low | 58.1 | Low | 109 Ų | 109 | 116.6 Ų | 116.6 | 58% | 0.583 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.1 | -34.4 | 176.5 | -80.9 | 18.5 | 0 | 0 | 0 | 111.7 | E51 L52 T58 V59 | E51-N55 PolarHBondContact O-N 2.94Å; L52-N55 PolarHBondContact O-N 3.5Å; N55-T58 PolarHBondContact O-N 3.16Å; N55-V59 WeakPolarHBondContact O-CG2 3.37Å |
| 56 | T | 55.3 | Low | 56.7 | Low | 91 Ų | 91 | 117.7 Ų | 117.7 | 56% | 0.558 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.1 | -29.7 | 178.1 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | L52 K54 | L52-T56 WeakPolarHBondContact O-CB 3.23Å; L52-T56 PolarHBondContact O-N 3.32Å; L52-T56 PolarHBondContact O-OG1 3.36Å; K54-T56 VanDerWaalsContact C-N 3.33Å; K54-T56 PolarHBondContact O-N 3.43Å |
| 57 | R | 47.7 | Very low | 55.2 | Low | 201 Ų | 201 | 121.1 Ų | 121.1 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -78.5 | -19.7 | 175.6 | -95 | -179 | 171.6 | 167.7 | -2.2 | 114.6 | L53 K54 | L53-R57 PolarHBondContact O-N 3.34Å; L53-R57 VanDerWaalsContact O-N 3.12Å; K54-R57 PolarHBondContact O-N 2.88Å |
| 58 | T | 47.6 | Very low | 53.7 | Low | 100 Ų | 100 | 118.5 Ų | 118.5 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -88.3 | -14.4 | -175.1 | -45.9 | 0 | 0 | 0 | 0 | 113.1 | K54 N55 | K54-T58 PolarHBondContact O-N 3Å; K54-T58 PolarHBondContact O-OG1 3.33Å; N55-T58 PolarHBondContact O-N 3.16Å |
| 59 | V | 46.1 | Very low | 52.3 | Low | 80 Ų | 80 | 121 Ų | 121 | 49% | 0.485 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -93 | 0.2 | 179.1 | -111.8 | 0 | 0 | 0 | 0 | 115 | N55 Y345 | N55-V59 WeakPolarHBondContact O-CG2 3.37Å; V59-Y345 HydrophobicContact CG1-CE2 4.38Å |
| 60 | V | 44.5 | Very low | 50.8 | Low | 123 Ų | 123 | 119.7 Ų | 119.7 | 75% | 0.745 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -98.3 | 4.3 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 61 | T | 43.3 | Very low | 49.2 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -126.1 | 32.4 | -174.6 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 62 | T | 41.8 | Very low | 47.9 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -154.9 | 65.1 | 174 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 63 | S | 39.9 | Very low | 47.1 | Very low | 123 Ų | 123 | 123.8 Ų | 123.8 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | | | trans | -173.2 | 47.7 | 156.5 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 64 | G | 39.2 | Very low | 46 | Very low | 77 Ų | 77 | 124.4 Ų | 124.4 | 79% | 0.794 | 74% | 0.737 | S | S | * | * | | | trans | -95.7 | 75.1 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 65 | S | 41.1 | Very low | 45 | Very low | 123 Ų | 123 | 128 Ų | 128 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -83.5 | 124.4 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 110 | | |
| 66 | L | 40.3 | Very low | 44.4 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -70.3 | 131.7 | -171 | -59.2 | 158.6 | 0 | 0 | 0 | 111.7 | | |
| 67 | C | 41.1 | Very low | 43.9 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 97% | 0.966 | 77% | 0.772 | S | S | * | * | | | trans | -128.9 | 95.1 | 152.2 | -92.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 68 | S | 43.3 | Very low | 43.6 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | | | trans | -107.9 | 119.8 | 177.1 | 26.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 69 | L | 45.5 | Very low | 43.5 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 90% | 0.901 | 77% | 0.774 | S | S | * | * | | | trans | -158.8 | 153.2 | 160.9 | -86.6 | -167.8 | 0 | 0 | 0 | 109.7 | | |
| 70 | P | 45.1 | Very low | 44 | Very low | 121 Ų | 121 | 127 Ų | 127 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | | -112.7 | 165 | -108.6 | 38.8 | -34.6 | 0 | 0 | 0 | 116.2 | | |
| 71 | F | 38.7 | Very low | 45.1 | Very low | 204 Ų | 204 | 126.9 Ų | 126.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -55.5 | 136.1 | 166.6 | -106.9 | -105.8 | 0 | 0 | 0 | 114 | | |
| 72 | S | 44.9 | Very low | 46.5 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | 163.9 | 125 | 145.2 | -77 | 0 | 0 | 0 | 0 | 106 | | |
| 73 | T | 51.2 | Low | 48 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | cis | -168.8 | 150.5 | 20.3 | 19.5 | 0 | 0 | 0 | 0 | 106.1 | | |
| 74 | P | 46.1 | Very low | 49.2 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | trans | -100.5 | 154.2 | -179.4 | 37.3 | -29.8 | 0 | 0 | 0 | 113.1 | | |
| 75 | M | 46.4 | Very low | 50.9 | Low | 192 Ų | 192 | 129.3 Ų | 129.3 | 95% | 0.946 | 79% | 0.792 | S | S | * | * | | | trans | 136.1 | 144.3 | 160.9 | -84.5 | -159.8 | 173.3 | 0 | 0 | 109 | | |
| 76 | A | 43.7 | Very low | 51.6 | Low | 74 Ų | 74 | 129.7 Ų | 129.7 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | | | cis | -171.9 | 159.2 | -18.5 | 0 | 0 | 0 | 0 | 0 | 104.3 | | |
| 77 | I | 45.1 | Very low | 51.9 | Low | 162 Ų | 162 | 130.8 Ų | 130.8 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | trans | 49 | 107.6 | 155.5 | 17.7 | 172.6 | 0 | 0 | 0 | 118.4 | | |
| 78 | T | 41.5 | Very low | 52 | Low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | | 169.9 | 130.4 | 108.7 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 79 | S | 44.8 | Very low | 51.9 | Low | 91 Ų | 91 | 129.3 Ų | 129.3 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | | | trans | 54.8 | 118.2 | 145.1 | 62 | 0 | 0 | 0 | 0 | 121.9 | | |
| 80 | S | 57.6 | Low | 51.6 | Low | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | | | trans | 96.4 | 127.7 | 139.2 | 76.1 | 0 | 0 | 0 | 0 | 118.9 | | |
| 81 | P | 66 | Low | 51.6 | Low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -92 | 142.1 | 172.5 | 35.8 | -28.9 | 0 | 0 | 0 | 110.8 | | |
| 82 | P | 73.7 | Confident | 51.9 | Low | 121 Ų | 121 | 124.2 Ų | 124.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 146.4 | 169.2 | 32.8 | -28.7 | 0 | 0 | 0 | 111.5 | | |
| 83 | P | 73.9 | Confident | 51.8 | Low | 115 Ų | 115 | 128.5 Ų | 128.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 166 | -173.4 | 36.3 | -35.1 | 0 | 0 | 0 | 113.4 | | |
| 84 | P | 64.7 | Low | 51.4 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 140.7 | 177 | 33.8 | -31.4 | 0 | 0 | 0 | 111.6 | | |
| 85 | P | 75.1 | Confident | 51.3 | Low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 158.7 | 169.8 | 32.8 | -29.8 | 0 | 0 | 0 | 113.4 | | |
| 86 | P | 54.4 | Low | 50.8 | Low | 130 Ų | 130 | 134 Ų | 134 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | trans | -112.2 | 180 | -154.6 | 34.3 | -17.1 | 0 | 0 | 0 | 115.4 | | |
| 87 | M | 46.7 | Very low | 50.7 | Low | 171 Ų | 171 | 135.4 Ų | 135.4 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | | | trans | -51.3 | 167.2 | -176.2 | -66.4 | 166.3 | 46.1 | 0 | 0 | 118.8 | | |
| 88 | S | 43.9 | Very low | 50.1 | Low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | | | trans | 103.2 | 135.6 | 152.3 | -38.5 | 0 | 0 | 0 | 0 | 113 | | |
| 89 | S | 40.2 | Very low | 50.2 | Low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | | | cis | -174 | 154 | 22.1 | 55 | 0 | 0 | 0 | 0 | 112 | | |
| 90 | L | 41 | Very low | 49.9 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 81% | 0.805 | S | S | * | * | | | trans | 73.2 | 98.5 | 145.5 | -89.2 | 74.7 | 0 | 0 | 0 | 121.9 | | |
| 91 | S | 44.6 | Very low | 48.9 | Very low | 115 Ų | 115 | 136.1 Ų | 136.1 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | | 39.1 | 167.5 | 113.9 | -42 | 0 | 0 | 0 | 0 | 123 | | |
| 92 | P | 43.7 | Very low | 47.9 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | | -131.5 | 134.6 | -90.4 | 33.3 | -12.2 | 0 | 0 | 0 | 113.5 | | |
| 93 | Q | 43.7 | Very low | 46.7 | Very low | 199 Ų | 199 | 139.6 Ų | 139.6 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | -137.2 | 126.7 | 168.5 | -75.9 | -164.8 | 10.9 | 0 | 0 | 114.7 | | |
| 94 | K | 42.4 | Very low | 44.8 | Very low | 200 Ų | 200 | 140.9 Ų | 140.9 | 87% | 0.87 | 80% | 0.802 | S | S | * | * | | | trans | -20.2 | 129.5 | 159.7 | -67.2 | 167.3 | 173.2 | 177.4 | 0 | 115.5 | | |
| 95 | Q | 45.1 | Very low | 43.6 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | | -175 | 118.8 | 128 | -102.3 | 161.8 | -6.5 | 0 | 0 | 111.2 | | |
| 96 | L | 36 | Very low | 42.1 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | | | trans | -81.1 | 164.5 | 142.9 | -84.3 | 110.4 | 0 | 0 | 0 | 107.2 | | |
| 97 | P | 39.7 | Very low | 41.6 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | cis | -141.4 | 166.6 | 21.3 | 23.2 | 3.6 | 0 | 0 | 0 | 117.4 | | |
| 98 | L | 34.1 | Very low | 41.7 | Very low | 161 Ų | 161 | 139 Ų | 139 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | | | trans | 50.3 | 104.7 | 143.7 | -60.1 | 165.4 | 0 | 0 | 0 | 119.5 | | |
| 99 | T | 43.3 | Very low | 41.9 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | trans | -152.7 | 122.3 | 136.3 | 45.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 100 | S | 38.1 | Very low | 42.2 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | 35.5 | 132 | 143.9 | -155.8 | 0 | 0 | 0 | 0 | 122.8 | | |
| 101 | S | 36.6 | Very low | 42.7 | Very low | 89 Ų | 89 | 142 Ų | 142 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | | | trans | 70.4 | 99.4 | 137.4 | 55.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 102 | H | 46 | Very low | 42.8 | Very low | 176 Ų | 176 | 145.1 Ų | 145.1 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | | | trans | -153.9 | 106.4 | 133.3 | -87.1 | -67.9 | 0 | 0 | 0 | 110.9 | | |
| 103 | L | 46.7 | Very low | 42.6 | Very low | 139 Ų | 139 | 142.5 Ų | 142.5 | 73% | 0.728 | 76% | 0.758 | S | S | * | * | | | trans | 53.9 | 84.3 | 136 | -51.4 | 165.2 | 0 | 0 | 0 | 116.3 | | |
| 104 | T | 34.1 | Very low | 43.1 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | | 24.8 | 72 | 83.3 | 65 | 0 | 0 | 0 | 0 | 117 | | |
| 105 | S | 40.1 | Very low | 43.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 73% | 0.731 | S | S | * | * | | | trans | -170.4 | 109.9 | 143.4 | 59.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 106 | N | 43.4 | Very low | 44.3 | Very low | 150 Ų | 150 | 125.1 Ų | 125.1 | 80% | 0.802 | 70% | 0.699 | S | S | * | * | S | Bend | trans | 163.8 | 18.4 | 159.9 | -83.2 | -6.4 | 0 | 0 | 0 | 114.3 | | |
| 107 | S | 43.6 | Very low | 46.1 | Very low | 97 Ų | 97 | 119.6 Ų | 119.6 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -111.8 | 2.6 | -175.1 | 54.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 108 | E | 48.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 121.1 Ų | 121.1 | 77% | 0.766 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -104.9 | -11.2 | -178.5 | -88.6 | 174.8 | 155.7 | 0 | 0 | 116.2 | | |
| 109 | T | 49.1 | Very low | 50.1 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 73% | 0.73 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -83.9 | -11.3 | 171.4 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 110 | N | 46.9 | Very low | 51.8 | Low | 109 Ų | 109 | 115.7 Ų | 115.7 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -88.1 | -12.9 | -170.3 | -138.3 | -53.2 | 0 | 0 | 0 | 114.5 | | |
| 111 | R | 51.9 | Low | 53.8 | Low | 196 Ų | 196 | 117.6 Ų | 117.6 | 74% | 0.74 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -90.3 | -19.1 | -176.4 | -67.3 | -163 | -76.2 | -157.4 | -2.1 | 114.9 | | |
| 112 | K | 46.3 | Very low | 56 | Low | 181 Ų | 181 | 121.6 Ų | 121.6 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -89.8 | -13.8 | 172.9 | -152 | 148.7 | -178.7 | 178.7 | 0 | 113 | L114 | K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.96Å |
| 113 | C | 39.1 | Very low | 57.9 | Low | 64 Ų | 64 | 117 Ų | 117 | 43% | 0.432 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -70.9 | -19.4 | 177 | -112.5 | 0 | 0 | 0 | 0 | 114.4 | T116 T117 | C113-T116 WeakPolarHBondContact CA-OG1 3.44Å; C113-T116 PolarHBondContact O-OG1 3.13Å; C113-T117 WeakPolarHBondContact O-CG2 3.5Å; C113-T117 PolarHBondContact O-N 3.43Å; C113-T117 VanDerWaalsContact O-N 3.08Å |
| 114 | L | 53.2 | Low | 59.8 | Low | 117 Ų | 117 | 113 Ų | 113 | 61% | 0.613 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.4 | -28.7 | -176.1 | -72.3 | 156.9 | 0 | 0 | 0 | 113.3 | K112 T117 | K112-L114 VanDerWaalsContact C-N 3.34Å; K112-L114 PolarHBondContact O-N 2.96Å; L114-T117 PolarHBondContact O-OG1 3.45Å |
| 115 | A | 52.9 | Low | 62.3 | Low | 75 Ų | 75 | 113.3 Ų | 113.3 | 62% | 0.62 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -80.4 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T117 K118 H119 | A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.3Å; A115-K118 PolarHBondContact O-N 3.06Å; A115-H119 PolarHBondContact O-N 3.07Å |
| 116 | T | 60.5 | Low | 64.7 | Low | 37 Ų | 37 | 114.2 Ų | 114.2 | 23% | 0.227 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -63.3 | -40.3 | 174.3 | 60.6 | 0 | 0 | 0 | 0 | 110.6 | C113 K118 H119 D120 | C113-T116 WeakPolarHBondContact CA-OG1 3.44Å; C113-T116 PolarHBondContact O-OG1 3.13Å; T116-K118 PolarHBondContact O-N 3.31Å; T116-H119 CarbonylContact O-C 3.56Å; T116-H119 WeakPolarHBondContact O-CA 3.34Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.23Å; T116-D120 VanDerWaalsContact C-OD2 3.29Å; T116-D120 PolarHBondContact O-N 2.95Å; T116-D120 VanDerWaalsContact O-OD2 3.08Å |
| 117 | T | 73.1 | Confident | 66.9 | Low | 46 Ų | 46 | 111.9 Ų | 111.9 | 28% | 0.282 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.9 | -27.6 | 177.3 | 68.7 | 0 | 0 | 0 | 0 | 114.1 | C113 L114 A115 R121 | C113-T117 WeakPolarHBondContact O-CG2 3.5Å; C113-T117 PolarHBondContact O-N 3.43Å; C113-T117 VanDerWaalsContact O-N 3.08Å; L114-T117 PolarHBondContact O-OG1 3.45Å; A115-T117 VanDerWaalsContact C-N 3.34Å; A115-T117 PolarHBondContact O-N 3.3Å; T117-R121 WeakPolarHBondContact O-CB 3.42Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.24Å; T117-R121 VanDerWaalsContact O-N 3.09Å; T117-R121 PolarHBondContact O-NE 3.29Å; T117-R121 PolarHBondContact OG1-NH2 2.94Å |
| 118 | K | 77.7 | Confident | 69.3 | Low | 136 Ų | 136 | 111.8 Ų | 111.8 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -75.6 | -40.5 | 175.1 | -72.5 | -175.8 | -178.2 | 176.8 | 0 | 110.8 | A115 T116 R122 | A115-K118 PolarHBondContact O-N 3.06Å; T116-K118 PolarHBondContact O-N 3.31Å; K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.34Å; K118-R122 PolarHBondContact O-N 3.44Å |
| 119 | H | 80.3 | Confident | 71.5 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 175 | -174.4 | 80.7 | 0 | 0 | 0 | 110.8 | A115 T116 R121 R122 M123 | A115-H119 PolarHBondContact O-N 3.07Å; T116-H119 CarbonylContact O-C 3.56Å; T116-H119 WeakPolarHBondContact O-CA 3.34Å; T116-H119 WeakPolarHBondContact O-CB 3.27Å; T116-H119 PolarHBondContact O-N 3.23Å; H119-R121 VanDerWaalsContact C-N 3.33Å; H119-R121 PolarHBondContact O-N 3.16Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.39Å; H119-R122 WeakPolarHBondContact O-CB 3.26Å; H119-R122 PolarHBondContact O-N 3.14Å; H119-M123 WeakPolarHBondContact CE1-CE 3.28Å; H119-M123 WeakPolarHBondContact O-CG 3.42Å; H119-M123 PolarHBondContact O-N 3.28Å |
| 120 | D | 78.4 | Confident | 73.6 | Confident | 88 Ų | 88 | 107.6 Ų | 107.6 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.3 | -40.9 | 178.4 | -56.9 | -26.8 | 0 | 0 | 0 | 111.4 | T116 R122 M123 A124 | T116-D120 VanDerWaalsContact C-OD2 3.29Å; T116-D120 PolarHBondContact O-N 2.95Å; T116-D120 VanDerWaalsContact O-OD2 3.08Å; D120-R122 PolarHBondContact O-N 3.11Å; D120-M123 PolarHBondContact O-N 2.85Å; D120-A124 VanDerWaalsContact O-CB 3.28Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.13Å |
| 121 | R | 81 | Confident | 76 | Confident | 147 Ų | 147 | 108.4 Ų | 108.4 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 172.7 | -79.7 | -179.2 | -74.7 | -159.7 | -4.7 | 112.8 | T117 H119 K125 | T117-R121 WeakPolarHBondContact O-CB 3.42Å; T117-R121 WeakPolarHBondContact O-CG 3.45Å; T117-R121 PolarHBondContact O-N 3.24Å; T117-R121 VanDerWaalsContact O-N 3.09Å; T117-R121 PolarHBondContact O-NE 3.29Å; T117-R121 PolarHBondContact OG1-NH2 2.94Å; H119-R121 VanDerWaalsContact C-N 3.33Å; H119-R121 PolarHBondContact O-N 3.16Å; R121-K125 WeakPolarHBondContact O-CG 3.24Å; R121-K125 PolarHBondContact O-N 3Å; R121-K125 VanDerWaalsContact O-N 3.13Å |
| 122 | R | 83.3 | Confident | 78.1 | Confident | 173 Ų | 173 | 102.9 Ų | 102.9 | 65% | 0.653 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.2 | -44.4 | 174.6 | -74.7 | 173.8 | -176.9 | -172.6 | 0.3 | 110.7 | K118 H119 D120 K125 Q126 | K118-R122 VanDerWaalsContact O-CG 3.3Å; K118-R122 WeakPolarHBondContact O-CG 3.34Å; K118-R122 PolarHBondContact O-N 3.44Å; H119-R122 CarbonylContact O-C 3.58Å; H119-R122 WeakPolarHBondContact O-CA 3.39Å; H119-R122 WeakPolarHBondContact O-CB 3.26Å; H119-R122 PolarHBondContact O-N 3.14Å; D120-R122 PolarHBondContact O-N 3.11Å; R122-K125 PolarHBondContact O-N 3.46Å; R122-Q126 WeakPolarHBondContact O-CG 3.46Å; R122-Q126 PolarHBondContact O-N 3.08Å |
| 123 | M | 84.7 | Confident | 80.6 | Confident | 80 Ų | 80 | 99.5 Ų | 99.5 | 39% | 0.394 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 178 | -67.7 | -56.8 | 155.7 | 0 | 0 | 112.2 | H119 D120 K125 Q126 M127 | H119-M123 WeakPolarHBondContact CE1-CE 3.28Å; H119-M123 WeakPolarHBondContact O-CG 3.42Å; H119-M123 PolarHBondContact O-N 3.28Å; D120-M123 PolarHBondContact O-N 2.85Å; M123-K125 PolarHBondContact O-N 2.92Å; M123-Q126 PolarHBondContact O-N 3.3Å; M123-Q126 PolarHBondContact SD-OE1 3.2Å; M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 PolarHBondContact O-N 3.41Å |
| 124 | A | 86.9 | Confident | 83.3 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D120 M127 T128 | D120-A124 VanDerWaalsContact O-CB 3.28Å; D120-A124 WeakPolarHBondContact O-CB 3.49Å; D120-A124 PolarHBondContact O-N 3.13Å; A124-M127 PolarHBondContact O-N 3.41Å; A124-T128 WeakPolarHBondContact O-CB 3.26Å; A124-T128 PolarHBondContact O-N 3.11Å; A124-T128 PolarHBondContact O-OG1 3.09Å |
| 125 | K | 87.4 | Confident | 85.4 | Confident | 147 Ų | 147 | 102.1 Ų | 102.1 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 172.4 | -76.2 | -175 | 176.2 | -160.9 | 0 | 111.7 | R121 R122 M123 M127 T128 E129 | R121-K125 WeakPolarHBondContact O-CG 3.24Å; R121-K125 PolarHBondContact O-N 3Å; R121-K125 VanDerWaalsContact O-N 3.13Å; R122-K125 PolarHBondContact O-N 3.46Å; M123-K125 PolarHBondContact O-N 2.92Å; K125-M127 PolarHBondContact O-N 3.36Å; K125-T128 PolarHBondContact O-N 3.36Å; K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 2.86Å |
| 126 | Q | 90.5 | Very high | 87.4 | Confident | 113 Ų | 113 | 101.7 Ų | 101.7 | 53% | 0.528 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 177.1 | -73.9 | 178.6 | -3.2 | 0 | 0 | 112.4 | R122 M123 E129 R130 | R122-Q126 WeakPolarHBondContact O-CG 3.46Å; R122-Q126 PolarHBondContact O-N 3.08Å; M123-Q126 PolarHBondContact O-N 3.3Å; M123-Q126 PolarHBondContact SD-OE1 3.2Å; Q126-E129 PolarHBondContact O-N 3.4Å; Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 3.16Å |
| 127 | M | 90.1 | Very high | 89.1 | Confident | 102 Ų | 102 | 102.8 Ų | 102.8 | 50% | 0.502 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -42.8 | 176.4 | -173.7 | 59 | 71.9 | 0 | 0 | 111.6 | M123 A124 K125 E129 R130 K131 | M123-M127 WeakPolarHBondContact O-CB 3.29Å; M123-M127 PolarHBondContact O-N 3.41Å; A124-M127 PolarHBondContact O-N 3.41Å; K125-M127 PolarHBondContact O-N 3.36Å; M127-E129 VanDerWaalsContact C-N 3.32Å; M127-E129 PolarHBondContact O-N 3.09Å; M127-R130 PolarHBondContact O-N 2.89Å; M127-K131 WeakPolarHBondContact O-CG 3.41Å; M127-K131 PolarHBondContact O-N 2.82Å |
| 128 | T | 93 | Very high | 90.1 | Very high | 95 Ų | 95 | 102.9 Ų | 102.9 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 175.1 | -57.9 | 0 | 0 | 0 | 0 | 111 | A124 K125 K131 R132 | A124-T128 WeakPolarHBondContact O-CB 3.26Å; A124-T128 PolarHBondContact O-N 3.11Å; A124-T128 PolarHBondContact O-OG1 3.09Å; K125-T128 PolarHBondContact O-N 3.36Å; T128-K131 PolarHBondContact O-N 3.4Å; T128-R132 PolarHBondContact O-N 2.89Å |
| 129 | E | 94.4 | Very high | 90.9 | Very high | 61 Ų | 61 | 101.6 Ų | 101.6 | 29% | 0.285 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | 177.4 | 173.9 | 57.1 | -161.2 | 0 | 0 | 112.1 | K125 Q126 M127 R132 R133 | K125-E129 WeakPolarHBondContact O-CB 3.49Å; K125-E129 PolarHBondContact O-N 2.86Å; Q126-E129 PolarHBondContact O-N 3.4Å; M127-E129 VanDerWaalsContact C-N 3.32Å; M127-E129 PolarHBondContact O-N 3.09Å; E129-R132 WeakPolarHBondContact O-CB 3.3Å; E129-R132 PolarHBondContact O-N 2.9Å; E129-R132 VanDerWaalsContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 3.57Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 PolarHBondContact OE1-NE 3.45Å; E129-R132 IonicContact OE1-NH2 3.57Å; E129-R132 PolarHBondContact OE1-NH2 3.44Å; E129-R132 IonicContact OE2-CZ 3.55Å; E129-R132 IonicContact OE2-NE 2.74Å; E129-R132 PolarHBondContact OE2-NE 3.17Å; E129-R132 IonicContact OE2-NH2 3.49Å; E129-R133 WeakPolarHBondContact O-CG 3.44Å; E129-R133 PolarHBondContact O-N 3.32Å; E129-R133 WeakPolarHBondContact OE1-CG 3.27Å; E129-R133 IonicContact OE1-NH1 3.69Å |
| 130 | R | 94.5 | Very high | 91.6 | Very high | 133 Ų | 133 | 97.7 Ų | 97.7 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.6 | -52 | 171.4 | -177.4 | -178.6 | -66.3 | -86.1 | 5 | 110.5 | Q126 M127 R132 R133 D134 | Q126-R130 WeakPolarHBondContact O-CB 3.16Å; Q126-R130 PolarHBondContact O-N 3.16Å; M127-R130 PolarHBondContact O-N 2.89Å; R130-R132 VanDerWaalsContact C-N 3.25Å; R130-R132 PolarHBondContact O-N 2.89Å; R130-R133 WeakPolarHBondContact O-CB 3.45Å; R130-R133 PolarHBondContact O-N 3.46Å; R130-D134 PolarHBondContact O-N 3.43Å |
| 131 | K | 95.7 | Very high | 92.3 | Very high | 127 Ų | 127 | 97.3 Ų | 97.3 | 55% | 0.552 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -56.6 | -36.9 | 174.8 | -71.1 | -177.4 | 178.3 | -175.9 | 0 | 112.5 | M127 T128 R135 | M127-K131 WeakPolarHBondContact O-CG 3.41Å; M127-K131 PolarHBondContact O-N 2.82Å; T128-K131 PolarHBondContact O-N 3.4Å; K131-R135 WeakPolarHBondContact O-CG 3.28Å; K131-R135 PolarHBondContact O-N 3.43Å; K131-R135 PolarHBondContact O-NH1 2.88Å; K131-R135 VanDerWaalsContact O-NH1 3.17Å |
| 132 | R | 97.8 | Very high | 92.8 | Very high | 80 Ų | 80 | 94.9 Ų | 94.9 | 30% | 0.302 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 174.9 | -169.7 | -167.2 | 70.9 | 90.7 | 7.1 | 111.2 | T128 E129 R130 R135 I136 | T128-R132 PolarHBondContact O-N 2.89Å; E129-R132 WeakPolarHBondContact O-CB 3.3Å; E129-R132 PolarHBondContact O-N 2.9Å; E129-R132 VanDerWaalsContact O-N 3.14Å; E129-R132 IonicContact OE1-CZ 3.57Å; E129-R132 IonicContact OE1-NE 2.74Å; E129-R132 PolarHBondContact OE1-NE 3.45Å; E129-R132 IonicContact OE1-NH2 3.57Å; E129-R132 PolarHBondContact OE1-NH2 3.44Å; E129-R132 IonicContact OE2-CZ 3.55Å; E129-R132 IonicContact OE2-NE 2.74Å; E129-R132 PolarHBondContact OE2-NE 3.17Å; E129-R132 IonicContact OE2-NH2 3.49Å; R130-R132 VanDerWaalsContact C-N 3.25Å; R130-R132 PolarHBondContact O-N 2.89Å; R132-R135 PolarHBondContact O-N 2.92Å; R132-I136 HydrophobicContact CG-CD1 4.27Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.34Å; R132-I136 VanDerWaalsContact O-N 3.11Å |
| 133 | R | 97.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 89.7 Ų | 89.7 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 177.5 | -71.3 | -170.1 | -67.1 | -111.8 | 2.9 | 112 | E129 R130 R135 I136 N137 | E129-R133 WeakPolarHBondContact O-CG 3.44Å; E129-R133 PolarHBondContact O-N 3.32Å; E129-R133 WeakPolarHBondContact OE1-CG 3.27Å; E129-R133 IonicContact OE1-NH1 3.69Å; R130-R133 WeakPolarHBondContact O-CB 3.45Å; R130-R133 PolarHBondContact O-N 3.46Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 3.16Å; R133-I136 PolarHBondContact O-N 3.38Å; R133-I136 VanDerWaalsContact O-N 3.16Å; R133-N137 PolarHBondContact O-N 2.91Å |
| 134 | D | 97.1 | Very high | 93.7 | Very high | 86 Ų | 86 | 88.4 Ų | 88.4 | 46% | 0.46 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.5 | -58 | -23.1 | 0 | 0 | 0 | 111.1 | R130 I136 N137 A138 | R130-D134 PolarHBondContact O-N 3.43Å; D134-I136 PolarHBondContact O-N 2.94Å; D134-N137 PolarHBondContact O-N 3.19Å; D134-A138 WeakPolarHBondContact O-CB 3.18Å; D134-A138 PolarHBondContact O-N 2.93Å |
| 135 | R | 97.1 | Very high | 93.9 | Very high | 151 Ų | 151 | 89 Ų | 89 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -60.8 | -42.6 | 174.1 | -71 | -168.2 | -49.6 | -86.7 | 8.4 | 112.7 | K131 R132 R133 L139 | K131-R135 WeakPolarHBondContact O-CG 3.28Å; K131-R135 PolarHBondContact O-N 3.43Å; K131-R135 PolarHBondContact O-NH1 2.88Å; K131-R135 VanDerWaalsContact O-NH1 3.17Å; R132-R135 PolarHBondContact O-N 2.92Å; R133-R135 VanDerWaalsContact C-N 3.34Å; R133-R135 PolarHBondContact O-N 3.16Å; R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.14Å |
| 136 | I | 95 | Very high | 94.2 | Very high | 66 Ų | 66 | 86.8 Ų | 86.8 | 34% | 0.338 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.6 | -43.7 | 179.4 | -70.6 | 169.5 | 0 | 0 | 0 | 110.8 | R132 R133 D134 L139 L140 | R132-I136 HydrophobicContact CG-CD1 4.27Å; R132-I136 WeakPolarHBondContact O-CG1 3.46Å; R132-I136 PolarHBondContact O-N 3.34Å; R132-I136 VanDerWaalsContact O-N 3.11Å; R133-I136 PolarHBondContact O-N 3.38Å; R133-I136 VanDerWaalsContact O-N 3.16Å; D134-I136 PolarHBondContact O-N 2.94Å; I136-L139 PolarHBondContact O-N 2.95Å; I136-L140 HydrophobicContact CG2-CD1 4.16Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.34Å |
| 137 | N | 95.7 | Very high | 94.3 | Very high | 59 Ų | 59 | 81.7 Ų | 81.7 | 32% | 0.316 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 178.3 | -69.6 | -20.4 | 0 | 0 | 0 | 111.1 | R133 D134 L139 L140 D141 K163 | R133-N137 PolarHBondContact O-N 2.91Å; D134-N137 PolarHBondContact O-N 3.19Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.45Å; N137-L140 WeakPolarHBondContact O-CB 3.43Å; N137-L140 PolarHBondContact O-N 2.91Å; N137-D141 PolarHBondContact O-N 3.49Å; N137-K163 PolarHBondContact OD1-NZ 3.14Å |
| 138 | A | 94.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 77.3 Ų | 77.3 | 41% | 0.405 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59 | -39.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D134 N142 | D134-A138 WeakPolarHBondContact O-CB 3.18Å; D134-A138 PolarHBondContact O-N 2.93Å; A138-N142 WeakPolarHBondContact O-CB 3.38Å; A138-N142 PolarHBondContact O-N 2.88Å; A138-N142 PolarHBondContact O-ND2 2.95Å |
| 139 | L | 94.9 | Very high | 94.1 | Very high | 109 Ų | 109 | 79.7 Ų | 79.7 | 57% | 0.571 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 174.6 | -72.5 | 171.6 | 0 | 0 | 0 | 112.4 | R135 I136 N137 N142 L143 | R135-L139 WeakPolarHBondContact O-CG 3.5Å; R135-L139 PolarHBondContact O-N 3.14Å; I136-L139 PolarHBondContact O-N 2.95Å; N137-L139 VanDerWaalsContact C-N 3.29Å; N137-L139 PolarHBondContact O-N 3.45Å; L139-N142 PolarHBondContact O-N 3.31Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.43Å |
| 140 | L | 94.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 81.4 Ų | 81.4 | 11% | 0.11 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 175.7 | -75.5 | 169.7 | 0 | 0 | 0 | 112 | I136 N137 L143 R144 K163 L167 | I136-L140 HydrophobicContact CG2-CD1 4.16Å; I136-L140 WeakPolarHBondContact O-CG 3.45Å; I136-L140 PolarHBondContact O-N 3.34Å; N137-L140 WeakPolarHBondContact O-CB 3.43Å; N137-L140 PolarHBondContact O-N 2.91Å; L140-L143 PolarHBondContact O-N 3.05Å; L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.25Å; L140-K163 HydrophobicContact CD1-CD 3.9Å; L140-K163 HydrophobicContact CD1-CG 4.06Å; L140-L167 HydrophobicContact CD2-CD2 3.95Å; L140-L167 HydrophobicContact CD2-CG 4.25Å |
| 141 | D | 92.4 | Very high | 93.6 | Very high | 81 Ų | 81 | 77.6 Ų | 77.6 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.8 | -38.2 | 176.5 | -69.9 | -35.6 | 0 | 0 | 0 | 112.3 | N137 R144 T145 | N137-D141 PolarHBondContact O-N 3.49Å; D141-R144 PolarHBondContact O-N 2.9Å; D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.31Å |
| 142 | N | 93.3 | Very high | 93 | Very high | 96 Ų | 96 | 79.9 Ų | 79.9 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62 | -48.3 | 171.6 | -73.7 | -22.8 | 0 | 0 | 0 | 111.2 | A138 L139 R144 T145 L146 | A138-N142 WeakPolarHBondContact O-CB 3.38Å; A138-N142 PolarHBondContact O-N 2.88Å; A138-N142 PolarHBondContact O-ND2 2.95Å; L139-N142 PolarHBondContact O-N 3.31Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-R144 PolarHBondContact O-N 3.28Å; N142-T145 PolarHBondContact O-N 2.89Å; N142-L146 WeakPolarHBondContact O-CB 3.4Å; N142-L146 VanDerWaalsContact O-CG 3.31Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.9Å |
| 143 | L | 94.3 | Very high | 92.3 | Very high | 63 Ų | 63 | 80 Ų | 80 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 177.4 | -78.5 | 174 | 0 | 0 | 0 | 111.5 | L139 L140 T145 L146 I147 I166 V170 | L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.32Å; L139-L143 WeakPolarHBondContact O-CG 3.31Å; L139-L143 PolarHBondContact O-N 3.43Å; L140-L143 PolarHBondContact O-N 3.05Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.33Å; L143-L146 PolarHBondContact O-N 2.83Å; L143-I147 WeakPolarHBondContact O-CB 3.47Å; L143-I147 VanDerWaalsContact O-CG2 3.27Å; L143-I147 WeakPolarHBondContact O-CG2 3.47Å; L143-I147 PolarHBondContact O-N 3.3Å; L143-I166 HydrophobicContact CB-CG2 4.23Å; L143-V170 HydrophobicContact CB-CG2 4.31Å; L143-V170 HydrophobicContact CD2-CG2 4.32Å |
| 144 | R | 92.9 | Very high | 91.2 | Very high | 54 Ų | 54 | 79.8 Ų | 79.8 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 175.9 | 179.5 | -175.2 | -179.7 | -178.3 | 3.7 | 112.3 | L140 D141 N142 I147 L148 H158 R159 L161 I166 | L140-R144 WeakPolarHBondContact O-CB 3.43Å; L140-R144 PolarHBondContact O-N 3.25Å; D141-R144 PolarHBondContact O-N 2.9Å; N142-R144 VanDerWaalsContact C-N 3.35Å; N142-R144 PolarHBondContact O-N 3.28Å; R144-I147 WeakPolarHBondContact O-CG2 3.43Å; R144-L148 HydrophobicContact CG-CD1 3.95Å; R144-L148 WeakPolarHBondContact O-CB 3.32Å; R144-L148 WeakPolarHBondContact O-CD1 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.85Å; R144-L148 VanDerWaalsContact O-N 3.11Å; R144-H158 PolarHBondContact NE-O 2.88Å; R144-H158 PolarHBondContact NH2-O 3.37Å; R144-R159 PolarHBondContact NH2-O 3.32Å; R144-L161 HydrophobicContact CG-CD1 4.35Å; R144-I166 HydrophobicContact CB-CD1 4.01Å; R144-I166 HydrophobicContact CB-CG1 4.14Å; R144-I166 HydrophobicContact CB-CG2 4.08Å; R144-I166 HydrophobicContact CG-CD1 4.22Å; R144-I166 HydrophobicContact CG-CG1 4.23Å |
| 145 | T | 90.8 | Very high | 90.1 | Very high | 68 Ų | 68 | 79.9 Ų | 79.9 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | D141 N142 L143 K149 | D141-T145 PolarHBondContact O-N 3.36Å; D141-T145 PolarHBondContact O-OG1 3.31Å; N142-T145 PolarHBondContact O-N 2.89Å; L143-T145 VanDerWaalsContact C-N 3.35Å; L143-T145 PolarHBondContact O-N 3.33Å; T145-K149 HydrophobicContact CG2-CD 4.17Å; T145-K149 WeakPolarHBondContact O-CB 3.46Å; T145-K149 VanDerWaalsContact O-CG 3.23Å; T145-K149 WeakPolarHBondContact O-CG 3.37Å; T145-K149 PolarHBondContact O-N 3.27Å; T145-K149 VanDerWaalsContact O-N 3.14Å |
| 146 | L | 93.1 | Very high | 88.8 | Confident | 100 Ų | 100 | 82 Ų | 82 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -47.7 | 179 | -71.1 | 169.4 | 0 | 0 | 0 | 111.7 | N142 L143 L148 K149 L150 | N142-L146 WeakPolarHBondContact O-CB 3.4Å; N142-L146 VanDerWaalsContact O-CG 3.31Å; N142-L146 WeakPolarHBondContact O-CG 3.23Å; N142-L146 PolarHBondContact O-N 2.9Å; L143-L146 PolarHBondContact O-N 2.83Å; L146-L148 PolarHBondContact O-N 3.46Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 3.16Å; L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.06Å |
| 147 | I | 91.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 86 Ų | 86 | 3% | 0.031 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -66.5 | -38.9 | -176.7 | -166.2 | 58.6 | 0 | 0 | 0 | 112 | L143 R144 L150 L151 L169 V170 F173 | L143-I147 WeakPolarHBondContact O-CB 3.47Å; L143-I147 VanDerWaalsContact O-CG2 3.27Å; L143-I147 WeakPolarHBondContact O-CG2 3.47Å; L143-I147 PolarHBondContact O-N 3.3Å; R144-I147 WeakPolarHBondContact O-CG2 3.43Å; I147-L150 PolarHBondContact O-N 2.94Å; I147-L151 HydrophobicContact CD1-CD1 4.02Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 3.87Å; I147-L151 HydrophobicContact CG1-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.06Å; I147-L169 HydrophobicContact CG1-CB 3.9Å; I147-L169 HydrophobicContact CG2-CB 4.49Å; I147-V170 HydrophobicContact CB-CG2 4.01Å; I147-V170 HydrophobicContact CD1-CG2 4.43Å; I147-V170 HydrophobicContact CG1-CG2 4.09Å; I147-V170 HydrophobicContact CG2-CG2 4.33Å; I147-F173 HydrophobicContact CD1-CB 3.32Å; I147-F173 HydrophobicContact CD1-CD1 3.97Å; I147-F173 HydrophobicContact CD1-CD2 4.22Å; I147-F173 HydrophobicContact CD1-CG 3.58Å |
| 148 | L | 90.4 | Very high | 86.6 | Confident | 10 Ų | 10 | 85.4 Ų | 85.4 | 5% | 0.052 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.5 | -38.8 | 176.4 | -69.4 | 174.7 | 0 | 0 | 0 | 111.9 | R144 L146 H152 K153 H158 L161 | R144-L148 HydrophobicContact CG-CD1 3.95Å; R144-L148 WeakPolarHBondContact O-CB 3.32Å; R144-L148 WeakPolarHBondContact O-CD1 3.33Å; R144-L148 WeakPolarHBondContact O-CG 3.45Å; R144-L148 PolarHBondContact O-N 2.85Å; R144-L148 VanDerWaalsContact O-N 3.11Å; L146-L148 PolarHBondContact O-N 3.46Å; L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 VanDerWaalsContact O-N 3.16Å; L148-K153 HydrophobicContact CD2-CB 3.72Å; L148-K153 HydrophobicContact CD2-CD 4.18Å; L148-K153 PolarHBondContact O-N 3.43Å; L148-H158 HydrophobicContact CD1-CB 3.72Å; L148-H158 HydrophobicContact CD2-CB 3.73Å; L148-H158 VanDerWaalsContact CD2-CD2 3.43Å; L148-H158 WeakPolarHBondContact CD2-CD2 3.45Å; L148-H158 HydrophobicContact CG-CB 4.4Å; L148-L161 HydrophobicContact CD1-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD1 4.18Å |
| 149 | K | 89.4 | Confident | 85.6 | Confident | 145 Ų | 145 | 91.3 Ų | 91.3 | 63% | 0.63 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.2 | -48.4 | 173 | -75.8 | 174.3 | 178.4 | -179.7 | 0 | 111.5 | T145 L146 L151 H152 | T145-K149 HydrophobicContact CG2-CD 4.17Å; T145-K149 WeakPolarHBondContact O-CB 3.46Å; T145-K149 VanDerWaalsContact O-CG 3.23Å; T145-K149 WeakPolarHBondContact O-CG 3.37Å; T145-K149 PolarHBondContact O-N 3.27Å; T145-K149 VanDerWaalsContact O-N 3.14Å; L146-K149 WeakPolarHBondContact O-CB 3.25Å; L146-K149 PolarHBondContact O-N 3.16Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.43Å; K149-H152 PolarHBondContact O-CD2 2.98Å; K149-H152 VanDerWaalsContact O-CD2 3.31Å; K149-H152 PolarHBondContact O-N 2.92Å |
| 150 | L | 90.3 | Very high | 85 | Confident | 97 Ų | 97 | 94.5 Ų | 94.5 | 51% | 0.508 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.8 | -32.5 | -178.5 | -69.1 | 168.2 | 0 | 0 | 0 | 113.1 | L146 I147 H152 F173 | L146-L150 WeakPolarHBondContact O-CB 3.41Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.06Å; I147-L150 PolarHBondContact O-N 2.94Å; L150-H152 VanDerWaalsContact C-N 3.33Å; L150-F173 HydrophobicContact CB-CE2 4Å; L150-F173 HydrophobicContact CB-CZ 4.16Å; L150-F173 HydrophobicContact CD1-CD1 4.5Å; L150-F173 HydrophobicContact CD1-CE1 3.78Å; L150-F173 HydrophobicContact CD1-CE2 4.35Å; L150-F173 HydrophobicContact CD1-CZ 3.7Å; L150-F173 HydrophobicContact CD2-CZ 4.41Å; L150-F173 HydrophobicContact CG-CZ 4.3Å |
| 151 | L | 87.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 95 Ų | 95 | 28% | 0.277 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 2.5 | 176.9 | -64.4 | 177.1 | 0 | 0 | 0 | 113.5 | I147 K149 K153 L169 F173 | I147-L151 HydrophobicContact CD1-CD1 4.02Å; I147-L151 HydrophobicContact CD1-CG 4.17Å; I147-L151 HydrophobicContact CG1-CD1 3.87Å; I147-L151 HydrophobicContact CG1-CG 4.37Å; I147-L151 WeakPolarHBondContact O-CB 3.45Å; I147-L151 VanDerWaalsContact O-CG 3.31Å; I147-L151 WeakPolarHBondContact O-CG 3.5Å; I147-L151 PolarHBondContact O-N 3.06Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.43Å; L151-K153 HydrophobicContact CB-CD 3.93Å; L151-K153 HydrophobicContact CB-CG 3.91Å; L151-K153 HydrophobicContact CD1-CD 4.08Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact O-N 3.16Å; L151-L169 HydrophobicContact CD1-CD2 4.13Å; L151-F173 HydrophobicContact CD2-CD2 4.03Å |
| 152 | H | 83.8 | Confident | 84.3 | Confident | 174 Ų | 174 | 97.7 Ų | 97.7 | 81% | 0.806 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 36.7 | -172.9 | -57.3 | 137.9 | 0 | 0 | 0 | 113.4 | L148 K149 L150 | L148-H152 PolarHBondContact O-N 3.38Å; L148-H152 VanDerWaalsContact O-N 3.16Å; K149-H152 PolarHBondContact O-CD2 2.98Å; K149-H152 VanDerWaalsContact O-CD2 3.31Å; K149-H152 PolarHBondContact O-N 2.92Å; L150-H152 VanDerWaalsContact C-N 3.33Å |
| 153 | K | 83.1 | Confident | 84.2 | Confident | 84 Ų | 84 | 98.8 Ų | 98.8 | 37% | 0.365 | 46% | 0.46 | S | S | . | . | | | trans | -90.4 | 137.9 | 179.4 | -75.4 | 177.9 | -178.4 | -76.5 | 0 | 109.9 | L148 L151 P155 | L148-K153 HydrophobicContact CD2-CB 3.72Å; L148-K153 HydrophobicContact CD2-CD 4.18Å; L148-K153 PolarHBondContact O-N 3.43Å; L151-K153 HydrophobicContact CB-CD 3.93Å; L151-K153 HydrophobicContact CB-CG 3.91Å; L151-K153 HydrophobicContact CD1-CD 4.08Å; L151-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact O-N 3.16Å; K153-P155 WeakPolarHBondContact O-CD 3.33Å |
| 154 | N | 74.3 | Confident | 84.1 | Confident | 104 Ų | 104 | 98.7 Ų | 98.7 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | | | trans | -64.1 | 117.2 | -179.1 | -78.9 | -47.2 | 0 | 0 | 0 | 111.3 | R156 H157 H158 | N154-R156 PolarHBondContact O-N 2.77Å; N154-R156 VanDerWaalsContact O-N 3.08Å; N154-H157 PolarHBondContact O-N 3.49Å; N154-H158 PolarHBondContact O-CD2 3.38Å |
| 155 | P | 74.3 | Confident | 84.1 | Confident | 87 Ų | 87 | 99 Ų | 99 | 57% | 0.565 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.5 | -176.2 | 25.3 | -34.3 | 0 | 0 | 0 | 113.3 | K153 H158 R159 | K153-P155 WeakPolarHBondContact O-CD 3.33Å; P155-H158 PolarHBondContact O-N 2.83Å; P155-R159 PolarHBondContact O-N 2.94Å |
| 156 | R | 69.6 | Low | 84.1 | Confident | 195 Ų | 195 | 96 Ų | 96 | 74% | 0.736 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -42.2 | 177.9 | -71.4 | -172.9 | 178.1 | -133.2 | 2.2 | 113.2 | N154 H158 R159 | N154-R156 PolarHBondContact O-N 2.77Å; N154-R156 VanDerWaalsContact O-N 3.08Å; R156-H158 PolarHBondContact O-N 2.87Å; R156-R159 WeakPolarHBondContact O-CG 3.41Å |
| 157 | H | 69.2 | Low | 84.2 | Confident | 151 Ų | 151 | 95.4 Ų | 95.4 | 70% | 0.699 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18.4 | 178.9 | -61 | -57.7 | 0 | 0 | 0 | 112.5 | N154 | N154-H157 PolarHBondContact O-N 3.49Š|
| 158 | H | 74.8 | Confident | 84.3 | Confident | 46 Ų | 46 | 101.8 Ų | 101.8 | 21% | 0.213 | 48% | 0.482 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 21.2 | -177.7 | -63.2 | -56 | 0 | 0 | 0 | 112.5 | R144 L148 N154 P155 R156 K160 L161 | R144-H158 PolarHBondContact NE-O 2.88Å; R144-H158 PolarHBondContact NH2-O 3.37Å; L148-H158 HydrophobicContact CD1-CB 3.72Å; L148-H158 HydrophobicContact CD2-CB 3.73Å; L148-H158 VanDerWaalsContact CD2-CD2 3.43Å; L148-H158 WeakPolarHBondContact CD2-CD2 3.45Å; L148-H158 HydrophobicContact CG-CB 4.4Å; N154-H158 PolarHBondContact O-CD2 3.38Å; P155-H158 PolarHBondContact O-N 2.83Å; R156-H158 PolarHBondContact O-N 2.87Å; H158-K160 PolarHBondContact O-N 2.85Å; H158-L161 HydrophobicContact CB-CD1 3.75Å; H158-L161 HydrophobicContact CB-CG 3.91Å; H158-L161 PolarHBondContact O-N 3.02Å |
| 159 | R | 74 | Confident | 84.4 | Confident | 173 Ų | 173 | 103.1 Ų | 103.1 | 65% | 0.653 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.9 | 177.1 | -81.1 | -171.5 | -177 | -166.3 | 2.9 | 114.5 | R144 P155 R156 | R144-R159 PolarHBondContact NH2-O 3.32Å; P155-R159 PolarHBondContact O-N 2.94Å; R156-R159 WeakPolarHBondContact O-CG 3.41Å |
| 160 | K | 80.8 | Confident | 84.7 | Confident | 177 Ų | 177 | 97.3 Ų | 97.3 | 77% | 0.77 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 19.8 | -179.5 | -61.7 | -173.5 | 176.2 | -172 | 0 | 114.4 | H158 E162 | H158-K160 PolarHBondContact O-N 2.85Å; K160-E162 PolarHBondContact O-N 2.88Å |
| 161 | L | 84 | Confident | 84.9 | Confident | 32 Ų | 32 | 96.1 Ų | 96.1 | 17% | 0.168 | 46% | 0.462 | C | S | . | . | | | trans | -58.4 | 125.4 | 178.2 | -76 | 174.4 | 0 | 0 | 0 | 110.3 | R144 L148 H158 D165 I166 L169 | R144-L161 HydrophobicContact CG-CD1 4.35Å; L148-L161 HydrophobicContact CD1-CD1 4.36Å; L148-L161 HydrophobicContact CD2-CD1 4.18Å; H158-L161 HydrophobicContact CB-CD1 3.75Å; H158-L161 HydrophobicContact CB-CG 3.91Å; H158-L161 PolarHBondContact O-N 3.02Å; L161-D165 HydrophobicContact CB-CB 4.42Å; L161-D165 HydrophobicContact CD2-CB 3.74Å; L161-I166 HydrophobicContact CB-CD1 4.4Å; L161-I166 HydrophobicContact CB-CG1 3.85Å; L161-I166 HydrophobicContact CD1-CG1 4.34Å; L161-L169 HydrophobicContact CD1-CD1 3.86Å; L161-L169 HydrophobicContact CD2-CD1 4.18Å |
| 162 | E | 89 | Confident | 85.1 | Confident | 136 Ų | 136 | 97.1 Ų | 97.1 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | | | trans | -70.7 | 162.5 | 175.3 | -64 | -168.4 | 167.1 | 0 | 0 | 110.4 | K160 A164 D165 I166 | K160-E162 PolarHBondContact O-N 2.88Å; E162-A164 PolarHBondContact O-N 2.89Å; E162-D165 PolarHBondContact N-OD2 2.74Å; E162-D165 VanDerWaalsContact N-OD2 3.09Å; E162-D165 PolarHBondContact O-N 3.17Å; E162-D165 VanDerWaalsContact O-N 3.13Å; E162-I166 WeakPolarHBondContact O-CG1 3.43Å; E162-I166 PolarHBondContact O-N 3.18Å; E162-I166 VanDerWaalsContact O-N 3.09Å |
| 163 | K | 90.2 | Very high | 85.5 | Confident | 119 Ų | 119 | 90.6 Ų | 90.6 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.2 | -35.2 | 177.4 | -67.2 | -173.8 | 172 | -174.8 | 0 | 111.9 | N137 L140 L167 | N137-K163 PolarHBondContact OD1-NZ 3.14Å; L140-K163 HydrophobicContact CD1-CD 3.9Å; L140-K163 HydrophobicContact CD1-CG 4.06Å; K163-L167 VanDerWaalsContact O-CG 3.28Å; K163-L167 WeakPolarHBondContact O-CG 3.36Å; K163-L167 PolarHBondContact O-N 3.22Å |
| 164 | A | 93.3 | Very high | 86 | Confident | 62 Ų | 62 | 90.9 Ų | 90.9 | 51% | 0.512 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E162 I166 L167 E168 | E162-A164 PolarHBondContact O-N 2.89Å; A164-I166 PolarHBondContact O-N 3.39Å; A164-L167 PolarHBondContact O-N 3.44Å; A164-L167 VanDerWaalsContact O-N 3.16Å; A164-E168 PolarHBondContact O-N 3.31Å |
| 165 | D | 92.3 | Very high | 86.9 | Confident | 60 Ų | 60 | 92.3 Ų | 92.3 | 32% | 0.321 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -41.5 | -179.2 | -56.3 | -32.7 | 0 | 0 | 0 | 112.5 | L161 E162 L167 E168 L169 | L161-D165 HydrophobicContact CB-CB 4.42Å; L161-D165 HydrophobicContact CD2-CB 3.74Å; E162-D165 PolarHBondContact N-OD2 2.74Å; E162-D165 VanDerWaalsContact N-OD2 3.09Å; E162-D165 PolarHBondContact O-N 3.17Å; E162-D165 VanDerWaalsContact O-N 3.13Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.11Å; D165-E168 PolarHBondContact O-N 3.37Å; D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 VanDerWaalsContact O-CG 3.3Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 2.74Å |
| 166 | I | 91.6 | Very high | 87.7 | Confident | 6 Ų | 6 | 93.9 Ų | 93.9 | 3% | 0.031 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 176.9 | -63.8 | 164.8 | 0 | 0 | 0 | 109.5 | L143 R144 L161 E162 A164 V170 | L143-I166 HydrophobicContact CB-CG2 4.23Å; R144-I166 HydrophobicContact CB-CD1 4.01Å; R144-I166 HydrophobicContact CB-CG1 4.14Å; R144-I166 HydrophobicContact CB-CG2 4.08Å; R144-I166 HydrophobicContact CG-CD1 4.22Å; R144-I166 HydrophobicContact CG-CG1 4.23Å; L161-I166 HydrophobicContact CB-CD1 4.4Å; L161-I166 HydrophobicContact CB-CG1 3.85Å; L161-I166 HydrophobicContact CD1-CG1 4.34Å; E162-I166 WeakPolarHBondContact O-CG1 3.43Å; E162-I166 PolarHBondContact O-N 3.18Å; E162-I166 VanDerWaalsContact O-N 3.09Å; A164-I166 PolarHBondContact O-N 3.39Å; I166-V170 VanDerWaalsContact O-CG2 3.24Å; I166-V170 WeakPolarHBondContact O-CG2 3.4Å; I166-V170 PolarHBondContact O-N 3.35Å; I166-V170 VanDerWaalsContact O-N 3.08Å |
| 167 | L | 95.1 | Very high | 88.6 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 45% | 0.45 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.8 | -38.9 | -179.9 | -67 | 173.9 | 0 | 0 | 0 | 111.6 | L140 K163 A164 D165 V170 V171 | L140-L167 HydrophobicContact CD2-CD2 3.95Å; L140-L167 HydrophobicContact CD2-CG 4.25Å; K163-L167 VanDerWaalsContact O-CG 3.28Å; K163-L167 WeakPolarHBondContact O-CG 3.36Å; K163-L167 PolarHBondContact O-N 3.22Å; A164-L167 PolarHBondContact O-N 3.44Å; A164-L167 VanDerWaalsContact O-N 3.16Å; D165-L167 VanDerWaalsContact C-N 3.3Å; D165-L167 PolarHBondContact O-N 3.11Å; L167-V170 PolarHBondContact O-N 2.9Å; L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.32Å; L167-V171 PolarHBondContact O-N 2.96Å |
| 168 | E | 93.4 | Very high | 89.6 | Confident | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.1 | -45.7 | 177 | -174.9 | 169.6 | -167.6 | 0 | 0 | 112.1 | A164 D165 V170 V171 S172 | A164-E168 PolarHBondContact O-N 3.31Å; D165-E168 PolarHBondContact O-N 3.37Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.42Å; E168-V171 PolarHBondContact O-N 3.31Å; E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.34Å; E168-S172 PolarHBondContact O-N 3.24Å |
| 169 | L | 93 | Very high | 90.2 | Very high | 38 Ų | 38 | 87 Ų | 87 | 20% | 0.199 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 175.3 | -74.3 | 172.6 | 0 | 0 | 0 | 111.4 | I147 L151 L161 D165 S172 F173 | I147-L169 HydrophobicContact CG1-CB 3.9Å; I147-L169 HydrophobicContact CG2-CB 4.49Å; L151-L169 HydrophobicContact CD1-CD2 4.13Å; L161-L169 HydrophobicContact CD1-CD1 3.86Å; L161-L169 HydrophobicContact CD2-CD1 4.18Å; D165-L169 WeakPolarHBondContact O-CB 3.44Å; D165-L169 VanDerWaalsContact O-CG 3.3Å; D165-L169 WeakPolarHBondContact O-CG 3.48Å; D165-L169 PolarHBondContact O-N 2.74Å; L169-S172 PolarHBondContact O-N 3.4Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 2.95Å |
| 170 | V | 94.6 | Very high | 90.6 | Very high | 23 Ų | 23 | 81.6 Ų | 81.6 | 14% | 0.139 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63 | -48.6 | 177 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | L143 I147 I166 L167 E168 S172 F173 L174 | L143-V170 HydrophobicContact CB-CG2 4.31Å; L143-V170 HydrophobicContact CD2-CG2 4.32Å; I147-V170 HydrophobicContact CB-CG2 4.01Å; I147-V170 HydrophobicContact CD1-CG2 4.43Å; I147-V170 HydrophobicContact CG1-CG2 4.09Å; I147-V170 HydrophobicContact CG2-CG2 4.33Å; I166-V170 VanDerWaalsContact O-CG2 3.24Å; I166-V170 WeakPolarHBondContact O-CG2 3.4Å; I166-V170 PolarHBondContact O-N 3.35Å; I166-V170 VanDerWaalsContact O-N 3.08Å; L167-V170 PolarHBondContact O-N 2.9Å; E168-V170 VanDerWaalsContact C-N 3.31Å; E168-V170 PolarHBondContact O-N 3.42Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; V170-F173 PolarHBondContact O-N 3.47Å; V170-L174 HydrophobicContact CG1-CD1 3.95Å; V170-L174 HydrophobicContact CG1-CG 4.39Å; V170-L174 WeakPolarHBondContact O-CB 3.33Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 3.38Å |
| 171 | V | 94.3 | Very high | 90.3 | Very high | 71 Ų | 71 | 77 Ų | 77 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 178.7 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | L167 E168 L174 K175 | L167-V171 WeakPolarHBondContact O-CB 3.45Å; L167-V171 VanDerWaalsContact O-CG2 3.26Å; L167-V171 WeakPolarHBondContact O-CG2 3.32Å; L167-V171 PolarHBondContact O-N 2.96Å; E168-V171 PolarHBondContact O-N 3.31Å; V171-L174 PolarHBondContact O-N 2.8Å; V171-K175 HydrophobicContact CG1-CD 4.12Å; V171-K175 HydrophobicContact CG1-CG 4.46Å; V171-K175 WeakPolarHBondContact O-CB 3.4Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.26Å; V171-K175 PolarHBondContact O-N 3.47Å |
| 172 | S | 92.2 | Very high | 89.8 | Confident | 75 Ų | 75 | 83.9 Ų | 83.9 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | E168 L169 V170 K175 K176 | E168-S172 VanDerWaalsContact O-CB 3.28Å; E168-S172 WeakPolarHBondContact O-CB 3.34Å; E168-S172 PolarHBondContact O-N 3.24Å; L169-S172 PolarHBondContact O-N 3.4Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; S172-K175 PolarHBondContact O-N 3.37Å; S172-K176 WeakPolarHBondContact O-CB 3.33Å; S172-K176 PolarHBondContact O-N 2.91Å |
| 173 | F | 93.2 | Very high | 88.4 | Confident | 37 Ų | 37 | 85 Ų | 85 | 16% | 0.162 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.2 | -47.1 | 174.1 | 172.8 | -97.4 | 0 | 0 | 0 | 112 | I147 L150 L151 L169 V170 K175 K176 E177 | I147-F173 HydrophobicContact CD1-CB 3.32Å; I147-F173 HydrophobicContact CD1-CD1 3.97Å; I147-F173 HydrophobicContact CD1-CD2 4.22Å; I147-F173 HydrophobicContact CD1-CG 3.58Å; L150-F173 HydrophobicContact CB-CE2 4Å; L150-F173 HydrophobicContact CB-CZ 4.16Å; L150-F173 HydrophobicContact CD1-CD1 4.5Å; L150-F173 HydrophobicContact CD1-CE1 3.78Å; L150-F173 HydrophobicContact CD1-CE2 4.35Å; L150-F173 HydrophobicContact CD1-CZ 3.7Å; L150-F173 HydrophobicContact CD2-CZ 4.41Å; L150-F173 HydrophobicContact CG-CZ 4.3Å; L151-F173 HydrophobicContact CD2-CD2 4.03Å; L169-F173 WeakPolarHBondContact O-CB 3.47Å; L169-F173 PolarHBondContact O-N 2.95Å; V170-F173 PolarHBondContact O-N 3.47Å; F173-K175 VanDerWaalsContact C-N 3.31Å; F173-K175 PolarHBondContact O-N 2.96Å; F173-K176 WeakPolarHBondContact O-CB 3.37Å; F173-K176 PolarHBondContact O-N 3.43Å; F173-K176 VanDerWaalsContact O-N 3.09Å; F173-E177 HydrophobicContact CD1-CG 4.09Å; F173-E177 HydrophobicContact CD2-CG 4.14Å; F173-E177 HydrophobicContact CE1-CG 3.61Å; F173-E177 HydrophobicContact CE2-CG 3.68Å; F173-E177 HydrophobicContact CG-CG 4.32Å; F173-E177 HydrophobicContact CZ-CG 3.38Å; F173-E177 WeakPolarHBondContact O-CG 3.04Å; F173-E177 PolarHBondContact O-N 3.48Å |
| 174 | L | 93.7 | Very high | 86.9 | Confident | 90 Ų | 90 | 84.9 Ų | 84.9 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 177 | -69.6 | 174.3 | 0 | 0 | 0 | 111.8 | V170 V171 K176 E177 L178 | V170-L174 HydrophobicContact CG1-CD1 3.95Å; V170-L174 HydrophobicContact CG1-CG 4.39Å; V170-L174 WeakPolarHBondContact O-CB 3.33Å; V170-L174 VanDerWaalsContact O-CG 3.29Å; V170-L174 WeakPolarHBondContact O-CG 3.47Å; V170-L174 PolarHBondContact O-N 3.38Å; V171-L174 PolarHBondContact O-N 2.8Å; L174-K176 PolarHBondContact O-N 2.91Å; L174-E177 PolarHBondContact O-N 3.13Å; L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.43Å |
| 175 | K | 92.5 | Very high | 85 | Confident | 134 Ų | 134 | 87 Ų | 87 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 173.6 | -76.1 | 174.4 | 178.2 | 178 | 0 | 111.7 | V171 S172 F173 N179 | V171-K175 HydrophobicContact CG1-CD 4.12Å; V171-K175 HydrophobicContact CG1-CG 4.46Å; V171-K175 WeakPolarHBondContact O-CB 3.4Å; V171-K175 VanDerWaalsContact O-CG 3.3Å; V171-K175 WeakPolarHBondContact O-CG 3.26Å; V171-K175 PolarHBondContact O-N 3.47Å; S172-K175 PolarHBondContact O-N 3.37Å; F173-K175 VanDerWaalsContact C-N 3.31Å; F173-K175 PolarHBondContact O-N 2.96Å; K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.25Å; K175-N179 PolarHBondContact O-N 2.95Å; K175-N179 PolarHBondContact O-ND2 3.41Å; K175-N179 VanDerWaalsContact O-ND2 3.16Å |
| 176 | K | 90.6 | Very high | 83.2 | Confident | 120 Ų | 120 | 89.1 Ų | 89.1 | 52% | 0.522 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 177.4 | -173.8 | -178.3 | 178.5 | -176.4 | 0 | 111.3 | S172 F173 L174 N179 Q180 | S172-K176 WeakPolarHBondContact O-CB 3.33Å; S172-K176 PolarHBondContact O-N 2.91Å; F173-K176 WeakPolarHBondContact O-CB 3.37Å; F173-K176 PolarHBondContact O-N 3.43Å; F173-K176 VanDerWaalsContact O-N 3.09Å; L174-K176 PolarHBondContact O-N 2.91Å; K176-N179 PolarHBondContact O-N 3.42Å; K176-Q180 WeakPolarHBondContact O-CB 3.36Å; K176-Q180 WeakPolarHBondContact O-CG 3.28Å; K176-Q180 PolarHBondContact O-N 3.35Å |
| 177 | E | 89.5 | Confident | 81.3 | Confident | 57 Ų | 57 | 93.8 Ų | 93.8 | 27% | 0.266 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 178.6 | -70.4 | -53.5 | 117.8 | 0 | 0 | 112 | F173 L174 N179 Q180 N181 | F173-E177 HydrophobicContact CD1-CG 4.09Å; F173-E177 HydrophobicContact CD2-CG 4.14Å; F173-E177 HydrophobicContact CE1-CG 3.61Å; F173-E177 HydrophobicContact CE2-CG 3.68Å; F173-E177 HydrophobicContact CG-CG 4.32Å; F173-E177 HydrophobicContact CZ-CG 3.38Å; F173-E177 WeakPolarHBondContact O-CG 3.04Å; F173-E177 PolarHBondContact O-N 3.48Å; L174-E177 PolarHBondContact O-N 3.13Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.48Å; E177-Q180 PolarHBondContact O-N 3.49Å; E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.49Å; E177-N181 PolarHBondContact O-ND2 3.49Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å |
| 178 | L | 90.2 | Very high | 78.8 | Confident | 115 Ų | 115 | 94.5 Ų | 94.5 | 60% | 0.602 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 176 | -72.3 | 172.4 | 0 | 0 | 0 | 111.8 | L174 N181 R182 | L174-L178 VanDerWaalsContact O-CB 3.28Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 WeakPolarHBondContact O-CG 3.45Å; L174-L178 PolarHBondContact O-N 3.43Å; L178-N181 PolarHBondContact O-N 2.95Å; L178-R182 WeakPolarHBondContact O-CG 3.46Å; L178-R182 PolarHBondContact O-N 2.95Å |
| 179 | N | 87.6 | Confident | 76.3 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 40% | 0.396 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.6 | -42.2 | 176.6 | -74.5 | -29.5 | 0 | 0 | 0 | 111.9 | K175 K176 E177 N181 R182 F183 | K175-N179 WeakPolarHBondContact O-CB 3.45Å; K175-N179 VanDerWaalsContact O-CG 3.25Å; K175-N179 PolarHBondContact O-N 2.95Å; K175-N179 PolarHBondContact O-ND2 3.41Å; K175-N179 VanDerWaalsContact O-ND2 3.16Å; K176-N179 PolarHBondContact O-N 3.42Å; E177-N179 VanDerWaalsContact C-N 3.34Å; E177-N179 PolarHBondContact O-N 3.48Å; N179-N181 VanDerWaalsContact C-N 3.31Å; N179-N181 PolarHBondContact O-N 3.27Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 VanDerWaalsContact O-N 3.13Å; N179-F183 WeakPolarHBondContact O-CD2 3.36Å; N179-F183 PolarHBondContact O-N 3.33Å |
| 180 | Q | 81.9 | Confident | 73.5 | Confident | 61 Ų | 61 | 100.3 Ų | 100.3 | 29% | 0.285 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.7 | -75.5 | -175.7 | 29.6 | 0 | 0 | 112.1 | K176 E177 R182 F183 K184 | K176-Q180 WeakPolarHBondContact O-CB 3.36Å; K176-Q180 WeakPolarHBondContact O-CG 3.28Å; K176-Q180 PolarHBondContact O-N 3.35Å; E177-Q180 PolarHBondContact O-N 3.49Å; Q180-R182 PolarHBondContact O-N 3.42Å; Q180-F183 PolarHBondContact O-N 3.12Å; Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 3.45Å |
| 181 | N | 74.8 | Confident | 70.8 | Confident | 81 Ų | 81 | 108 Ų | 108 | 43% | 0.433 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.9 | -26 | 177.4 | -70.2 | -29.5 | 0 | 0 | 0 | 112.5 | E177 L178 N179 T185 | E177-N181 WeakPolarHBondContact O-CB 3.41Å; E177-N181 PolarHBondContact O-N 3.49Å; E177-N181 PolarHBondContact O-ND2 3.49Å; E177-N181 VanDerWaalsContact O-ND2 3.11Å; L178-N181 PolarHBondContact O-N 2.95Å; N179-N181 VanDerWaalsContact C-N 3.31Å; N179-N181 PolarHBondContact O-N 3.27Å; N181-T185 WeakPolarHBondContact O-CG2 3.14Å; N181-T185 PolarHBondContact O-OG1 2.91Å |
| 182 | R | 72 | Confident | 68.1 | Low | 176 Ų | 176 | 112.9 Ų | 112.9 | 66% | 0.664 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -73.7 | -24.8 | 170.8 | -68.3 | -152 | -66.1 | -178.2 | -1.6 | 114.1 | L178 N179 Q180 | L178-R182 WeakPolarHBondContact O-CG 3.46Å; L178-R182 PolarHBondContact O-N 2.95Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 VanDerWaalsContact O-N 3.13Å; Q180-R182 PolarHBondContact O-N 3.42Å |
| 183 | F | 59.5 | Low | 65.3 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 69% | 0.693 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -91.7 | -21.1 | 176.4 | -66.8 | -69.5 | 0 | 0 | 0 | 113.3 | N179 Q180 T186 | N179-F183 WeakPolarHBondContact O-CD2 3.36Å; N179-F183 PolarHBondContact O-N 3.33Å; Q180-F183 PolarHBondContact O-N 3.12Å; F183-T186 PolarHBondContact O-OG1 2.65Å |
| 184 | K | 58.9 | Low | 62.8 | Low | 117 Ų | 117 | 122.4 Ų | 122.4 | 51% | 0.509 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -80 | -18.5 | 177.6 | -70.9 | 172.4 | -173.5 | 171.2 | 0 | 113.6 | Q180 | Q180-K184 WeakPolarHBondContact O-CG 3.3Å; Q180-K184 PolarHBondContact O-N 3.45Å |
| 185 | T | 55.2 | Low | 60.4 | Low | 107 Ų | 107 | 127.4 Ų | 127.4 | 66% | 0.656 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -0.4 | -179 | 49.9 | 0 | 0 | 0 | 0 | 114.5 | N181 | N181-T185 WeakPolarHBondContact O-CG2 3.14Å; N181-T185 PolarHBondContact O-OG1 2.91Å |
| 186 | T | 53.7 | Low | 58.3 | Low | 105 Ų | 105 | 127.8 Ų | 127.8 | 64% | 0.644 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -108.3 | -6.5 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 115.3 | F183 | F183-T186 PolarHBondContact O-OG1 2.65Š|
| 187 | S | 50.7 | Low | 56 | Low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -96.8 | -1.2 | -178.1 | 63.3 | 0 | 0 | 0 | 0 | 115.3 | | |
| 188 | S | 43.2 | Very low | 53.5 | Low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -131.4 | 4.1 | -172.1 | -36.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 189 | Y | 40.3 | Very low | 50.9 | Low | 204 Ų | 204 | 139 Ų | 139 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -130.1 | 103 | 169.7 | -130.1 | -95.6 | 0 | 0 | 0 | 108.9 | Q191 | Y189-Q191 PolarHBondContact O-N 2.97Š|
| 190 | S | 34.3 | Very low | 48.5 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 68% | 0.678 | 71% | 0.708 | S | S | * | * | | | trans | -31.3 | 128.1 | 166.8 | 44.4 | 0 | 0 | 0 | 0 | 113.5 | Q192 | S190-Q192 PolarHBondContact O-N 3.45Å; S190-Q192 VanDerWaalsContact O-N 3.16Å |
| 191 | Q | 38.9 | Very low | 46.6 | Very low | 186 Ų | 186 | 144 Ų | 144 | 87% | 0.869 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 6.4 | 97.7 | 140.2 | -62 | 175.1 | 24.9 | 0 | 0 | 113.9 | Y189 | Y189-Q191 PolarHBondContact O-N 2.97Š|
| 192 | Q | 37 | Very low | 44.8 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | | | trans | 162.5 | 128.6 | 143.2 | -92.4 | 167.6 | 25.8 | 0 | 0 | 109.7 | S190 | S190-Q192 PolarHBondContact O-N 3.45Å; S190-Q192 VanDerWaalsContact O-N 3.16Å |
| 193 | Q | 34.2 | Very low | 43.3 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 89 | 127.5 | 161.7 | -55.4 | -179.7 | 37.7 | 0 | 0 | 118.3 | | |
| 194 | N | 39.1 | Very low | 42.3 | Very low | 133 Ų | 133 | 147 Ų | 147 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | | | trans | 88.7 | 70.8 | 160.3 | -101.2 | -33.7 | 0 | 0 | 0 | 119.7 | N196 | N194-N196 PolarHBondContact O-N 3.19Š|
| 195 | Q | 45 | Very low | 41.2 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 9.1 | 163.3 | -70.1 | -175.3 | -1.9 | 0 | 0 | 114.8 | | |
| 196 | N | 47 | Very low | 40 | Very low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.4 | 10.4 | -163 | -71.5 | -15.8 | 0 | 0 | 0 | 117.9 | N194 | N194-N196 PolarHBondContact O-N 3.19Š|
| 197 | N | 43.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -128.7 | 6.9 | -172.2 | -135.7 | 10.3 | 0 | 0 | 0 | 118.1 | | |
| 198 | C | 36.1 | Very low | 38.3 | Very low | 133 Ų | 133 | 155.9 Ų | 155.9 | 90% | 0.899 | 79% | 0.79 | S | S | * | * | | | trans | -132.9 | 56 | -173.2 | -70.2 | 0 | 0 | 0 | 0 | 113 | | |
| 199 | R | 36.7 | Very low | 37.9 | Very low | 249 Ų | 249 | 159.7 Ų | 159.7 | 94% | 0.94 | 79% | 0.794 | S | S | * | * | | | trans | -139.4 | 50.5 | 176.4 | -140.8 | -177.8 | -164.6 | -176.8 | 4.8 | 112.8 | | |
| 200 | S | 36.2 | Very low | 37.8 | Very low | 80 Ų | 80 | 156.1 Ų | 156.1 | 56% | 0.559 | 80% | 0.795 | S | S | * | * | | | trans | -165.7 | 85.7 | 166.1 | -166.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 201 | I | 43.3 | Very low | 37.7 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -133.2 | 8.5 | 158.6 | -41 | -179.4 | 0 | 0 | 0 | 111 | | |
| 202 | Y | 37 | Very low | 37.3 | Very low | 235 Ų | 235 | 151.8 Ų | 151.8 | 92% | 0.922 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -132.9 | 20.1 | 178.7 | -70.4 | -72.7 | 0 | 0 | 0 | 114.3 | | |
| 203 | S | 39.5 | Very low | 37.3 | Very low | 80 Ų | 80 | 152 Ų | 152 | 56% | 0.559 | 80% | 0.801 | S | S | * | * | | | trans | -137.3 | 59.2 | 177.3 | 63.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 204 | L | 38.4 | Very low | 37.1 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -110.2 | 55.3 | 161.6 | -70.8 | 174.6 | 0 | 0 | 0 | 108.7 | | |
| 205 | Q | 35.8 | Very low | 36.7 | Very low | 182 Ų | 182 | 150.8 Ų | 150.8 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | | | trans | -121.2 | 89.7 | 161.3 | -74.5 | 179.2 | -11.4 | 0 | 0 | 104.9 | | |
| 206 | N | 31 | Very low | 36.1 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | | | trans | 161.3 | 63 | 159.6 | -80.6 | -11.8 | 0 | 0 | 0 | 109.2 | N208 | N206-N208 VanDerWaalsContact C-N 3.25Å; N206-N208 PolarHBondContact O-N 3.37Å |
| 207 | L | 33.3 | Very low | 35.2 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 76% | 0.764 | 80% | 0.799 | S | S | * | * | | | trans | -83.4 | 79.8 | 157.9 | -78.1 | 169.4 | 0 | 0 | 0 | 107.3 | F209 | L207-F209 HydrophobicContact CB-CE2 4.38Å; L207-F209 PolarHBondContact O-N 2.83Å |
| 208 | N | 35.5 | Very low | 34.5 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -81.5 | 105.4 | 164 | -89.1 | -15.5 | 0 | 0 | 0 | 107.8 | N206 P210 | N206-N208 VanDerWaalsContact C-N 3.25Å; N206-N208 PolarHBondContact O-N 3.37Å; N208-P210 WeakPolarHBondContact O-CD 3.21Å |
| 209 | F | 33.5 | Very low | 34.2 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | | | trans | -69.3 | 121.1 | 168.1 | -72.8 | -94 | 0 | 0 | 0 | 109.1 | L207 S211 | L207-F209 HydrophobicContact CB-CE2 4.38Å; L207-F209 PolarHBondContact O-N 2.83Å; F209-S211 PolarHBondContact O-N 3.01Å |
| 210 | P | 38.7 | Very low | 33.9 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 84% | 0.838 | 78% | 0.782 | S | S | * | * | | | trans | -81.3 | 111.7 | 168.7 | 30.1 | -25.6 | 0 | 0 | 0 | 108.7 | N208 | N208-P210 WeakPolarHBondContact O-CD 3.21Š|
| 211 | S | 31.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | trans | -64.9 | 136.5 | 165.1 | 50.9 | 0 | 0 | 0 | 0 | 111 | F209 | F209-S211 PolarHBondContact O-N 3.01Š|
| 212 | G | 30.6 | Very low | 33.3 | Very low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | | | trans | 104.2 | 86.2 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 213 | I | 38.2 | Very low | 33.4 | Very low | 177 Ų | 177 | 134.9 Ų | 134.9 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | | | trans | -147.1 | 125.7 | 131.3 | 10.3 | 176.2 | 0 | 0 | 0 | 109.1 | | |
| 214 | E | 29.4 | Very low | 32.9 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | | | trans | -67.9 | 156.4 | 178.1 | -61.5 | 174.3 | 145.4 | 0 | 0 | 111.4 | | |
| 215 | S | 30.8 | Very low | 32.6 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | | | trans | 80.7 | 128.2 | 152.8 | -58.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 216 | S | 31.5 | Very low | 32.2 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | 93.7 | 82.7 | 154.9 | -46.9 | 0 | 0 | 0 | 0 | 116.6 | A218 | S216-A218 PolarHBondContact O-N 2.8Š|
| 217 | S | 28.3 | Very low | 32.4 | Very low | 125 Ų | 125 | 136.5 Ų | 136.5 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | | 33.3 | 86.8 | 125.9 | 47.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 218 | A | 30.1 | Very low | 32.2 | Very low | 88 Ų | 88 | 137.2 Ų | 137.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -142.6 | 111 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S216 I220 | S216-A218 PolarHBondContact O-N 2.8Å; A218-I220 PolarHBondContact O-N 3.34Å |
| 219 | S | 28.5 | Very low | 32.2 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -45 | 117 | 176.5 | -39.8 | 0 | 0 | 0 | 0 | 112.5 | V221 | S219-V221 PolarHBondContact O-N 3.33Å; S219-V221 VanDerWaalsContact O-N 3.12Å |
| 220 | I | 30.2 | Very low | 31.9 | Very low | 141 Ų | 141 | 138 Ų | 138 | 72% | 0.723 | 78% | 0.777 | S | S | * | * | | | trans | -78.5 | 96.4 | 165.5 | -61.9 | 176.1 | 0 | 0 | 0 | 107 | A218 Y222 | A218-I220 PolarHBondContact O-N 3.34Å; I220-Y222 HydrophobicContact CG2-CD2 4.46Å; I220-Y222 HydrophobicContact CG2-CE2 4.16Å; I220-Y222 PolarHBondContact O-N 3.47Å |
| 221 | V | 33.7 | Very low | 31.7 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | | | trans | -75.1 | 110.7 | 168 | 177.4 | 0 | 0 | 0 | 0 | 107.3 | S219 | S219-V221 PolarHBondContact O-N 3.33Å; S219-V221 VanDerWaalsContact O-N 3.12Å |
| 222 | Y | 34.8 | Very low | 31.8 | Very low | 190 Ų | 190 | 140.8 Ų | 140.8 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | | | trans | -73.8 | 134.1 | 164.6 | -71 | -85.1 | 0 | 0 | 0 | 108.6 | I220 D224 | I220-Y222 HydrophobicContact CG2-CD2 4.46Å; I220-Y222 HydrophobicContact CG2-CE2 4.16Å; I220-Y222 PolarHBondContact O-N 3.47Å; Y222-D224 PolarHBondContact O-N 3.13Å |
| 223 | P | 38.2 | Very low | 31.9 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -69.8 | 103.9 | 173.3 | 26.8 | -29.4 | 0 | 0 | 0 | 109.1 | N225 | P223-N225 PolarHBondContact O-N 3.05Å; P223-N225 VanDerWaalsContact O-N 3.12Å |
| 224 | D | 28.5 | Very low | 32 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 67% | 0.674 | 77% | 0.77 | S | S | * | * | | | trans | -71 | 93.7 | 172.9 | -155.8 | 1.7 | 0 | 0 | 0 | 108 | Y222 R226 | Y222-D224 PolarHBondContact O-N 3.13Å; D224-R226 PolarHBondContact O-N 2.77Å; D224-R226 IonicContact OD1-NE 3.76Å; D224-R226 IonicContact OD2-NE 3.39Å |
| 225 | N | 33 | Very low | 32 | Very low | 150 Ų | 150 | 143.3 Ų | 143.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | | | trans | -84.8 | 67.1 | 178.7 | -155.3 | 7.6 | 0 | 0 | 0 | 110.2 | P223 | P223-N225 PolarHBondContact O-N 3.05Å; P223-N225 VanDerWaalsContact O-N 3.12Å |
| 226 | R | 27.7 | Very low | 32.1 | Very low | 198 Ų | 198 | 145.4 Ų | 145.4 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | | | trans | -86.4 | 98.7 | 161.2 | -67.4 | -176 | -170.3 | -166.3 | -0.5 | 107.8 | D224 | D224-R226 PolarHBondContact O-N 2.77Å; D224-R226 IonicContact OD1-NE 3.76Å; D224-R226 IonicContact OD2-NE 3.39Å |
| 227 | N | 33.9 | Very low | 32.2 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -142.3 | 79.5 | 157.7 | -98.3 | -19.2 | 0 | 0 | 0 | 109.6 | N229 | N227-N229 PolarHBondContact O-N 3.29Š|
| 228 | N | 29.6 | Very low | 32.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | | | trans | -59.4 | 110.9 | 147.1 | -78.9 | -29.3 | 0 | 0 | 0 | 107.3 | | |
| 229 | N | 35.2 | Very low | 32.8 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | | | trans | -131.1 | 92 | 159.2 | -84.9 | -36.2 | 0 | 0 | 0 | 108.7 | N227 Y231 | N227-N229 PolarHBondContact O-N 3.29Å; N229-Y231 HydrophobicContact CB-CD2 4.42Å; N229-Y231 HydrophobicContact CB-CE2 4.36Å; N229-Y231 PolarHBondContact O-N 3.12Å |
| 230 | Y | 27.7 | Very low | 33.2 | Very low | 229 Ų | 229 | 148.6 Ų | 148.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -34.2 | 124.1 | 145.8 | -111.7 | -107.7 | 0 | 0 | 0 | 110.3 | | |
| 231 | Y | 34.5 | Very low | 33.3 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | trans | -135.8 | 141.5 | 153.2 | -89.5 | -79.2 | 0 | 0 | 0 | 110.6 | N229 | N229-Y231 HydrophobicContact CB-CD2 4.42Å; N229-Y231 HydrophobicContact CB-CE2 4.36Å; N229-Y231 PolarHBondContact O-N 3.12Å |
| 232 | P | 34 | Very low | 33.4 | Very low | 109 Ų | 109 | 149.8 Ų | 149.8 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 147.3 | -160.7 | 36.2 | -31.1 | 0 | 0 | 0 | 112.5 | | |
| 233 | H | 32.2 | Very low | 33.3 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132 | 169.1 | -84.8 | -79.8 | 0 | 0 | 0 | 110.9 | | |
| 234 | P | 39.5 | Very low | 33.2 | Very low | 124 Ų | 124 | 147.7 Ų | 147.7 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -81 | 118.8 | 164.6 | -6.5 | 24.4 | 0 | 0 | 0 | 110.3 | | |
| 235 | L | 29.8 | Very low | 33.6 | Very low | 166 Ų | 166 | 151.2 Ų | 151.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141.6 | 159.5 | -68.9 | 162.8 | 0 | 0 | 0 | 109.6 | | |
| 236 | L | 33.8 | Very low | 33.5 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | -162 | 113.4 | 140.2 | -100.4 | 175.9 | 0 | 0 | 0 | 109.3 | | |
| 237 | T | 32.8 | Very low | 33.9 | Very low | 117 Ų | 117 | 145.6 Ų | 145.6 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | | | trans | 50.3 | 139.3 | 132.9 | 38.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 238 | S | 35.2 | Very low | 33.8 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | cis | 175.1 | 121.6 | -9.8 | 33.9 | 0 | 0 | 0 | 0 | 106 | | |
| 239 | I | 36.8 | Very low | 34.2 | Very low | 155 Ų | 155 | 144.4 Ų | 144.4 | 80% | 0.795 | 79% | 0.789 | S | S | * | * | | | trans | 17.3 | 142.6 | 136.7 | -59.9 | 175.9 | 0 | 0 | 0 | 117.3 | | |
| 240 | P | 36.6 | Very low | 34 | Very low | 123 Ų | 123 | 147.7 Ų | 147.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | cis | -144.8 | 170.4 | 46.1 | 17.8 | 10.8 | 0 | 0 | 0 | 121.6 | | |
| 241 | Q | 32.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -66 | 169.7 | 175.6 | -67.8 | 167.9 | -62.6 | 0 | 0 | 117.5 | | |
| 242 | S | 35.4 | Very low | 34.5 | Very low | 111 Ų | 111 | 144.3 Ų | 144.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 120.5 | 131.3 | 156.6 | 68.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 243 | N | 33.1 | Very low | 34.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | cis | -165.7 | 154.3 | 28.5 | -133 | -1.9 | 0 | 0 | 0 | 108.5 | | |
| 244 | P | 35 | Very low | 34.7 | Very low | 112 Ų | 112 | 147.8 Ų | 147.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | -102.9 | 133.4 | 173.6 | 34.5 | -24.3 | 0 | 0 | 0 | 111.7 | | |
| 245 | Q | 36.9 | Very low | 34.4 | Very low | 201 Ų | 201 | 149 Ų | 149 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | | | trans | -147.9 | 141.4 | 156.4 | -77.7 | -147.7 | -21.1 | 0 | 0 | 112.8 | | |
| 246 | A | 30.6 | Very low | 34.8 | Very low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | | | trans | -65.1 | 158.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 247 | T | 37.8 | Very low | 35.1 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -170 | 116.3 | 133.3 | 21.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 248 | T | 30.6 | Very low | 35.3 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | | | trans | -46.6 | 138.4 | 161.7 | -47.6 | 0 | 0 | 0 | 0 | 112.2 | Y250 | T248-Y250 HydrophobicContact CG2-CD2 4.09Å; T248-Y250 HydrophobicContact CG2-CE2 4.41Å |
| 249 | N | 37.7 | Very low | 35.3 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | | | trans | -150.9 | 114.3 | 151.2 | -87.9 | -39.9 | 0 | 0 | 0 | 110.6 | | |
| 250 | Y | 31 | Very low | 35.1 | Very low | 183 Ų | 183 | 146 Ų | 146 | 72% | 0.718 | 80% | 0.797 | S | S | * | * | | | trans | -76 | 143.9 | 167 | -89.4 | -102 | 0 | 0 | 0 | 110.3 | T248 I252 | T248-Y250 HydrophobicContact CG2-CD2 4.09Å; T248-Y250 HydrophobicContact CG2-CE2 4.41Å; Y250-I252 HydrophobicContact CD1-CD1 4.44Å; Y250-I252 HydrophobicContact CD1-CG1 4.32Å |
| 251 | Y | 36.7 | Very low | 35.1 | Very low | 231 Ų | 231 | 145.1 Ų | 145.1 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | | | trans | -139.5 | 133.1 | 147.9 | -94.9 | -81.3 | 0 | 0 | 0 | 109.9 | | |
| 252 | I | 35.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 143.6 Ų | 143.6 | 65% | 0.651 | 79% | 0.792 | S | S | * | * | | | trans | -113.8 | 158.2 | -169.2 | -55.8 | 176.4 | 0 | 0 | 0 | 109 | Y250 | Y250-I252 HydrophobicContact CD1-CD1 4.44Å; Y250-I252 HydrophobicContact CD1-CG1 4.32Å |
| 253 | M | 32 | Very low | 35.3 | Very low | 170 Ų | 170 | 145 Ų | 145 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | | | trans | 89.5 | 133.6 | 162.8 | -54.7 | -162.6 | -155.7 | 0 | 0 | 115.2 | | |
| 254 | K | 39.6 | Very low | 35.4 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | | | cis | -151.5 | 144.8 | 46.2 | -81.7 | 173.9 | 171.3 | 177.2 | 0 | 113.5 | | |
| 255 | N | 33.4 | Very low | 35.5 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -77.9 | 154.9 | 162.6 | -68.9 | -36.8 | 0 | 0 | 0 | 111.1 | | |
| 256 | N | 38.6 | Very low | 35.4 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -175.2 | 110.9 | 133.2 | -91.8 | -1 | 0 | 0 | 0 | 110.8 | | |
| 257 | D | 38.9 | Very low | 36.2 | Very low | 127 Ų | 127 | 148.2 Ų | 148.2 | 68% | 0.679 | 79% | 0.787 | S | S | * | * | | | | 59.9 | 123.4 | 125.3 | -63.3 | -7.8 | 0 | 0 | 0 | 123.5 | | |
| 258 | N | 37.7 | Very low | 36 | Very low | 159 Ų | 159 | 149 Ų | 149 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | 78.3 | 121.8 | 135.4 | -60.9 | -22.1 | 0 | 0 | 0 | 120 | | |
| 259 | G | 34.9 | Very low | 36.2 | Very low | 78 Ų | 78 | 154.4 Ų | 154.4 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 151.1 | 92.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 260 | S | 31.6 | Very low | 36.1 | Very low | 118 Ų | 118 | 153.7 Ų | 153.7 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | trans | -40.7 | 138.6 | 165.4 | -174.3 | 0 | 0 | 0 | 0 | 115 | | |
| 261 | S | 37.8 | Very low | 36.2 | Very low | 106 Ų | 106 | 153.8 Ų | 153.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | | | | 165.5 | 135.7 | 121.3 | 48 | 0 | 0 | 0 | 0 | 112.6 | | |
| 262 | N | 33.4 | Very low | 36.2 | Very low | 148 Ų | 148 | 149.2 Ų | 149.2 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | 14.2 | 141.7 | 150.4 | -67.2 | -31.9 | 0 | 0 | 0 | 118.3 | | |
| 263 | I | 37.4 | Very low | 36.1 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 72% | 0.718 | 80% | 0.804 | S | S | * | * | | | | -168.6 | 126.3 | 80 | -78.6 | 146.4 | 0 | 0 | 0 | 109.2 | | |
| 264 | N | 36.3 | Very low | 36.4 | Very low | 149 Ų | 149 | 153.1 Ų | 153.1 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -67 | 127.8 | 159.7 | -75.5 | -41.2 | 0 | 0 | 0 | 109.5 | | |
| 265 | N | 37.7 | Very low | 36 | Very low | 153 Ų | 153 | 150.8 Ų | 150.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -109.8 | 84.8 | 168.2 | -81.8 | -30.6 | 0 | 0 | 0 | 110 | | |
| 266 | Y | 34.6 | Very low | 36.3 | Very low | 204 Ų | 204 | 150 Ų | 150 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | | | trans | -105.4 | 129.5 | 149.9 | -84.4 | -83.5 | 0 | 0 | 0 | 106.9 | I268 | Y266-I268 PolarHBondContact O-N 3.44Š|
| 267 | P | 46.1 | Very low | 36.1 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | | | trans | -80.3 | 103.3 | 173.4 | 29.8 | -27.3 | 0 | 0 | 0 | 109.3 | | |
| 268 | I | 34.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 151.3 Ų | 151.3 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -90.7 | 123.3 | 154.1 | -62.5 | 173.5 | 0 | 0 | 0 | 105.3 | Y266 | Y266-I268 PolarHBondContact O-N 3.44Š|
| 269 | Y | 35.7 | Very low | 35.7 | Very low | 223 Ų | 223 | 150.2 Ų | 150.2 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | | | trans | -125.8 | 137.7 | 165.2 | -101.2 | -79.7 | 0 | 0 | 0 | 110.1 | | |
| 270 | D | 35.2 | Very low | 35.6 | Very low | 142 Ų | 142 | 156.6 Ų | 156.6 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | | | trans | -59.4 | 157.4 | -167.9 | -87.3 | -52.9 | 0 | 0 | 0 | 117 | | |
| 271 | H | 32.5 | Very low | 35.9 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | | | trans | -60.3 | 130 | 162 | -67.1 | -76.8 | 0 | 0 | 0 | 111.6 | | |
| 272 | T | 37.1 | Very low | 35.8 | Very low | 135 Ų | 135 | 157.7 Ų | 157.7 | 83% | 0.828 | 81% | 0.809 | S | S | * | * | | | trans | -148.3 | 117.7 | 144.8 | -26.4 | 0 | 0 | 0 | 0 | 108.9 | Q274 | T272-Q274 PolarHBondContact O-N 3.3Š|
| 273 | E | 33.2 | Very low | 35.9 | Very low | 188 Ų | 188 | 157.8 Ų | 157.8 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | | | trans | -59 | 121.7 | 174 | -66.8 | 178 | 132.7 | 0 | 0 | 110.6 | | |
| 274 | Q | 38.3 | Very low | 35.8 | Very low | 192 Ų | 192 | 155.6 Ų | 155.6 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -138.3 | 118.2 | 146.1 | -73.9 | -164.4 | -7.6 | 0 | 0 | 110.5 | T272 T276 | T272-Q274 PolarHBondContact O-N 3.3Å; Q274-T276 PolarHBondContact O-N 3.14Å |
| 275 | N | 30.9 | Very low | 35.7 | Very low | 149 Ų | 149 | 159.4 Ų | 159.4 | 80% | 0.797 | 81% | 0.81 | S | S | * | * | | | trans | -68.4 | 105.9 | 178.6 | -177.4 | -0.4 | 0 | 0 | 0 | 110.8 | | |
| 276 | T | 40.1 | Very low | 35.6 | Very low | 134 Ų | 134 | 160.8 Ų | 160.8 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | | | trans | -149 | 123.9 | 154.7 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | Q274 | Q274-T276 PolarHBondContact O-N 3.14Š|
| 277 | K | 35 | Very low | 35.4 | Very low | 196 Ų | 196 | 156.1 Ų | 156.1 | 85% | 0.852 | 81% | 0.809 | S | S | * | * | | | trans | -54.4 | 132.3 | 177.4 | -61.1 | 159.9 | 177.6 | 174.6 | 0 | 113.5 | | |
| 278 | S | 33.4 | Very low | 34.9 | Very low | 103 Ų | 103 | 155.5 Ų | 155.5 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -160.7 | 94.1 | 142.6 | 68 | 0 | 0 | 0 | 0 | 112.6 | | |
| 279 | V | 35 | Very low | 35 | Very low | 136 Ų | 136 | 158.3 Ų | 158.3 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | | | trans | 26.1 | 111.2 | 134 | -169.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 280 | Y | 31.7 | Very low | 35.2 | Very low | 213 Ų | 213 | 156.9 Ų | 156.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -120.3 | 135.2 | 147.4 | -83 | -82.3 | 0 | 0 | 0 | 108.9 | T282 | Y280-T282 PolarHBondContact O-N 3.31Š|
| 281 | P | 38.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 158.4 Ų | 158.4 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | trans | -81.7 | 120.4 | 178.7 | 31 | -28.9 | 0 | 0 | 0 | 110.4 | | |
| 282 | T | 35.7 | Very low | 35.3 | Very low | 132 Ų | 132 | 158.5 Ų | 158.5 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -79.8 | 117.7 | 164.6 | -63.7 | 0 | 0 | 0 | 0 | 108.2 | Y280 S284 | Y280-T282 PolarHBondContact O-N 3.31Å; T282-S284 PolarHBondContact O-N 3.31Å |
| 283 | I | 35.2 | Very low | 35.3 | Very low | 150 Ų | 150 | 160 Ų | 160 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | trans | -77.1 | 107 | 170.4 | -59.9 | 172.7 | 0 | 0 | 0 | 107 | | |
| 284 | S | 34.6 | Very low | 35.5 | Very low | 95 Ų | 95 | 160.1 Ų | 160.1 | 66% | 0.664 | 81% | 0.809 | S | S | * | * | | | trans | -91.4 | 128.1 | 167.5 | 53.3 | 0 | 0 | 0 | 0 | 109.1 | T282 Q286 | T282-S284 PolarHBondContact O-N 3.31Å; S284-Q286 PolarHBondContact O-N 3.28Å |
| 285 | Y | 35.6 | Very low | 35.5 | Very low | 228 Ų | 228 | 156.6 Ų | 156.6 | 89% | 0.894 | 81% | 0.805 | S | S | * | * | | | trans | -79.1 | 106.8 | 166.9 | -92.6 | -96.1 | 0 | 0 | 0 | 108.2 | | |
| 286 | Q | 34.7 | Very low | 35.7 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | | | trans | -87.3 | 112.6 | 162.1 | -88 | -173.5 | -13 | 0 | 0 | 109.2 | S284 S288 | S284-Q286 PolarHBondContact O-N 3.28Å; Q286-S288 PolarHBondContact O-N 3.15Å |
| 287 | S | 31.6 | Very low | 35.6 | Very low | 105 Ų | 105 | 156.2 Ų | 156.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -69.7 | 116.5 | 156.9 | -82.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 288 | S | 33.9 | Very low | 35.8 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -98.7 | 101.8 | 170.8 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | Q286 | Q286-S288 PolarHBondContact O-N 3.15Š|
| 289 | Y | 36.5 | Very low | 36.2 | Very low | 214 Ų | 214 | 151.6 Ų | 151.6 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -97.6 | 110.5 | 161.8 | -76.8 | -81.9 | 0 | 0 | 0 | 107.8 | H291 | Y289-H291 PolarHBondContact O-N 3.47Š|
| 290 | K | 39.9 | Very low | 36.4 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 84% | 0.839 | 80% | 0.799 | S | S | * | * | | | trans | -70.7 | 120 | 170.4 | -86.5 | -177.7 | 172.6 | -178.7 | 0 | 109.6 | | |
| 291 | H | 33 | Very low | 36.5 | Very low | 175 Ų | 175 | 154 Ų | 154 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | | | trans | -79.1 | 127.5 | 156.1 | -90.1 | -54 | 0 | 0 | 0 | 109.6 | Y289 | Y289-H291 PolarHBondContact O-N 3.47Š|
| 292 | Q | 37.7 | Very low | 36.3 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | | | trans | -123.3 | 127.4 | 155.3 | -90.8 | -177.1 | -25 | 0 | 0 | 108.5 | | |
| 293 | H | 37 | Very low | 36.3 | Very low | 165 Ų | 165 | 155.3 Ų | 155.3 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -84 | 167.7 | 179.1 | -76.1 | -100.7 | 0 | 0 | 0 | 111.8 | | |
| 294 | Q | 37.4 | Very low | 36 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | 92.9 | 125.1 | 171.8 | -59.5 | 168 | -1.1 | 0 | 0 | 113.1 | | |
| 295 | S | 38.8 | Very low | 36 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | | | cis | -164.1 | 147.9 | 13.3 | 31.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 296 | L | 35.5 | Very low | 35.8 | Very low | 145 Ų | 145 | 151.7 Ų | 151.7 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | | | trans | -69.7 | 159.7 | 174.9 | -118.7 | 78.2 | 0 | 0 | 0 | 111.8 | | |
| 297 | P | 36.7 | Very low | 36 | Very low | 130 Ų | 130 | 154 Ų | 154 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | | -143.8 | 157.2 | 69.4 | 33.8 | -12.4 | 0 | 0 | 0 | 118 | | |
| 298 | S | 39.5 | Very low | 36.2 | Very low | 93 Ų | 93 | 156.2 Ų | 156.2 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | trans | -63.6 | -169.1 | -177.6 | -47.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 299 | P | 42.1 | Very low | 36.1 | Very low | 109 Ų | 109 | 156.9 Ų | 156.9 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | | | | -133.6 | 164.3 | -66.9 | 37.4 | -20.8 | 0 | 0 | 0 | 112.3 | | |
| 300 | H | 38.5 | Very low | 35.9 | Very low | 198 Ų | 198 | 152.9 Ų | 152.9 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -146.5 | 130.4 | 151.4 | -101.4 | -81.6 | 0 | 0 | 0 | 111.3 | | |
| 301 | Y | 33.3 | Very low | 35.4 | Very low | 201 Ų | 201 | 150 Ų | 150 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -49 | 139.5 | 178.4 | -108.9 | -115.1 | 0 | 0 | 0 | 114.7 | | |
| 302 | S | 34.9 | Very low | 35.3 | Very low | 122 Ų | 122 | 150.3 Ų | 150.3 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | | -174.9 | 129.7 | 122.7 | -76.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 303 | Q | 35.8 | Very low | 34.9 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | | | trans | -63.3 | 169.9 | 174.5 | -66.3 | 166.5 | -18 | 0 | 0 | 111.7 | | |
| 304 | L | 30 | Very low | 34.5 | Very low | 143 Ų | 143 | 145 Ų | 145 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | cis | -177 | 176.9 | 2.1 | -113.9 | 165.2 | 0 | 0 | 0 | 106.4 | | |
| 305 | L | 33.5 | Very low | 34.2 | Very low | 148 Ų | 148 | 141.2 Ų | 141.2 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | | | trans | 91.5 | 103 | 163.7 | -58.4 | 139.8 | 0 | 0 | 0 | 115.5 | | |
| 306 | S | 31.8 | Very low | 34.1 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | | 55.6 | 97.1 | 61.4 | -161.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 307 | Y | 39.1 | Very low | 33.8 | Very low | 231 Ų | 231 | 142.7 Ų | 142.7 | 91% | 0.906 | 77% | 0.773 | S | S | * | * | | | trans | -90.8 | 116.9 | 170.7 | -97.4 | -97.2 | 0 | 0 | 0 | 109.7 | | |
| 308 | Q | 34.7 | Very low | 34 | Very low | 153 Ų | 153 | 145.6 Ų | 145.6 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | | | trans | -117.8 | 145.5 | 155.7 | -72.3 | -71.7 | -4 | 0 | 0 | 106.9 | I310 | Q308-I310 PolarHBondContact O-N 3.22Š|
| 309 | P | 32.5 | Very low | 33.9 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.8 | -176.6 | 31.1 | -29.8 | 0 | 0 | 0 | 110.3 | | |
| 310 | I | 32.9 | Very low | 33.9 | Very low | 130 Ų | 130 | 152.2 Ų | 152.2 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92 | 124.1 | 179.1 | -58.4 | 171 | 0 | 0 | 0 | 109.8 | Q308 F312 | Q308-I310 PolarHBondContact O-N 3.22Å; I310-F312 HydrophobicContact CB-CD2 4.28Å; I310-F312 HydrophobicContact CB-CE2 4.2Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CG2-CD2 3.41Å; I310-F312 VanDerWaalsContact CG2-CD2 3.41Å; I310-F312 HydrophobicContact CG2-CE2 3.4Å; I310-F312 HydrophobicContact CG2-CG 4.16Å; I310-F312 HydrophobicContact CG2-CZ 4.13Å |
| 311 | V | 29.8 | Very low | 33.8 | Very low | 133 Ų | 133 | 151.4 Ų | 151.4 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -81 | 123.3 | 158.7 | 176.1 | 0 | 0 | 0 | 0 | 107.3 | | |
| 312 | F | 31 | Very low | 33.8 | Very low | 181 Ų | 181 | 149 Ų | 149 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -107.6 | 117.3 | 172.5 | -94.8 | -79.6 | 0 | 0 | 0 | 110.6 | I310 | I310-F312 HydrophobicContact CB-CD2 4.28Å; I310-F312 HydrophobicContact CB-CE2 4.2Å; I310-F312 HydrophobicContact CD1-CE2 4.36Å; I310-F312 HydrophobicContact CG2-CD2 3.41Å; I310-F312 VanDerWaalsContact CG2-CD2 3.41Å; I310-F312 HydrophobicContact CG2-CE2 3.4Å; I310-F312 HydrophobicContact CG2-CG 4.16Å; I310-F312 HydrophobicContact CG2-CZ 4.13Å |
| 313 | T | 27.7 | Very low | 34 | Very low | 129 Ų | 129 | 151.1 Ų | 151.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | | | trans | -130.6 | 120.7 | 152.6 | 54.2 | 0 | 0 | 0 | 0 | 107 | | |
| 314 | S | 30.3 | Very low | 33.9 | Very low | 111 Ų | 111 | 150.9 Ų | 150.9 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -169.3 | 135.6 | 144.9 | -161 | 0 | 0 | 0 | 0 | 109.8 | | |
| 315 | T | 30.9 | Very low | 34.2 | Very low | 113 Ų | 113 | 151.9 Ų | 151.9 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | | | trans | -61.3 | 157.7 | 162.2 | 48.4 | 0 | 0 | 0 | 0 | 111 | | |
| 316 | D | 35.6 | Very low | 34.2 | Very low | 145 Ų | 145 | 151.6 Ų | 151.6 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | | 178.4 | 150.9 | 117.6 | -79.4 | -11.1 | 0 | 0 | 0 | 112 | | |
| 317 | D | 30.4 | Very low | 34.3 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -61.2 | 154.5 | -164.8 | -61.2 | -60.7 | 0 | 0 | 0 | 117.5 | | |
| 318 | M | 40.7 | Very low | 34.1 | Very low | 191 Ų | 191 | 143.5 Ų | 143.5 | 94% | 0.941 | 79% | 0.79 | S | S | * | * | | | trans | -148.5 | 129.3 | 136.8 | -84.7 | -54.7 | -77.3 | 0 | 0 | 111.4 | | |
| 319 | N | 36.8 | Very low | 34.3 | Very low | 146 Ų | 146 | 145 Ų | 145 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | trans | -103.1 | 169 | -169.6 | -162.4 | -1.2 | 0 | 0 | 0 | 111.3 | | |
| 320 | K | 41.1 | Very low | 34.3 | Very low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | 100.3 | 121.5 | -179.3 | -63.7 | 172.2 | 177.1 | 177.7 | 0 | 112.6 | | |
| 321 | E | 37.2 | Very low | 34.6 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | | | | -160.3 | 132.3 | 56.2 | -171 | 169.3 | 172.4 | 0 | 0 | 111.6 | | |
| 322 | N | 32.6 | Very low | 34.9 | Very low | 151 Ų | 151 | 150.1 Ų | 150.1 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | | | trans | -76.3 | 147.1 | 171.5 | -79.7 | -37.1 | 0 | 0 | 0 | 110.6 | | |
| 323 | Q | 39.1 | Very low | 35.2 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | | | | -169.5 | 121.7 | 127.2 | -105.5 | -177.3 | 103 | 0 | 0 | 112.8 | | |
| 324 | L | 35 | Very low | 35.5 | Very low | 148 Ų | 148 | 148.4 Ų | 148.4 | 78% | 0.775 | 80% | 0.8 | S | S | * | * | | | trans | 32.6 | 131.4 | 140.5 | -80.5 | 78.8 | 0 | 0 | 0 | 118 | | |
| 325 | I | 35.8 | Very low | 35.7 | Very low | 163 Ų | 163 | 151.1 Ų | 151.1 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | | | | -163.4 | 138.5 | 77.1 | -78.4 | 156.3 | 0 | 0 | 0 | 110.1 | | |
| 326 | T | 33.1 | Very low | 35.9 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | | | trans | -81.1 | 155.2 | -179.9 | 32.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 327 | G | 34 | Very low | 35.8 | Very low | 68 Ų | 68 | 151.9 Ų | 151.9 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | | | trans | 158.7 | 96.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 328 | A | 36.1 | Very low | 36.1 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | | | | 51.4 | 122.5 | 86.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 329 | E | 37 | Very low | 35.7 | Very low | 184 Ų | 184 | 149.1 Ų | 149.1 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | | -161.9 | 160.3 | 51 | -72.6 | -177.5 | 149.5 | 0 | 0 | 113.3 | | |
| 330 | N | 33.5 | Very low | 35.7 | Very low | 142 Ų | 142 | 147.5 Ų | 147.5 | 76% | 0.759 | 80% | 0.797 | S | S | * | * | | | trans | -46.1 | 150.7 | 173.1 | -61.8 | -88.9 | 0 | 0 | 0 | 117.1 | | |
| 331 | L | 38.3 | Very low | 35.6 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | | | | -162.3 | 118.8 | 124.2 | -102.7 | 159 | 0 | 0 | 0 | 110.9 | | |
| 332 | K | 36.6 | Very low | 35.4 | Very low | 171 Ų | 171 | 145.6 Ų | 145.6 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | -67.6 | 149.7 | 172.7 | -64.5 | 163.8 | 166.3 | 170.5 | 0 | 110.5 | | |
| 333 | N | 37.2 | Very low | 35.6 | Very low | 146 Ų | 146 | 146.8 Ų | 146.8 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | | | | 158.6 | 119.8 | 115.4 | -78.1 | -24.4 | 0 | 0 | 0 | 112.6 | | |
| 334 | N | 33.8 | Very low | 35.5 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | | | trans | 72.9 | 109.8 | 131.5 | -140.7 | 3.2 | 0 | 0 | 0 | 119.2 | | |
| 335 | M | 35.8 | Very low | 35.4 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 82% | 0.823 | 79% | 0.794 | S | S | * | * | | | | 179 | 136.3 | 113.1 | -87.1 | -53.6 | -179.4 | 0 | 0 | 110.3 | | |
| 336 | N | 33.1 | Very low | 35.2 | Very low | 144 Ų | 144 | 149.3 Ų | 149.3 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | | | trans | -73.6 | 137.5 | -176.7 | -59.1 | -58 | 0 | 0 | 0 | 113 | | |
| 337 | T | 35.1 | Very low | 35.4 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | | | trans | -174.2 | 129.1 | 142.7 | 8.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 338 | P | 36.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 151.1 Ų | 151.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | trans | -86.7 | 117.3 | 175 | 32.2 | -26.9 | 0 | 0 | 0 | 110.1 | T340 | P338-T340 PolarHBondContact O-N 3.48Š|
| 339 | I | 32.5 | Very low | 35 | Very low | 157 Ų | 157 | 151.2 Ų | 151.2 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | trans | -78.1 | 109.3 | 173.5 | -63.8 | 172 | 0 | 0 | 0 | 108.6 | | |
| 340 | T | 36 | Very low | 34.8 | Very low | 113 Ų | 113 | 149.5 Ų | 149.5 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | | | trans | -57.9 | 126.6 | 163.4 | 39.2 | 0 | 0 | 0 | 0 | 110 | P338 D342 | P338-T340 PolarHBondContact O-N 3.48Å; T340-D342 PolarHBondContact O-N 2.78Å |
| 341 | K | 40.1 | Very low | 34.7 | Very low | 204 Ų | 204 | 150.6 Ų | 150.6 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -79.6 | 105.5 | 171.5 | -71.3 | 177 | 180 | 174.2 | 0 | 108.4 | L343 | K341-L343 PolarHBondContact O-N 3.44Š|
| 342 | D | 33.2 | Very low | 34.3 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | | | trans | -59.8 | 118 | 174.4 | -74.2 | -37.5 | 0 | 0 | 0 | 111.3 | T340 H344 | T340-D342 PolarHBondContact O-N 2.78Å; D342-H344 PolarHBondContact O-N 2.94Å |
| 343 | L | 36.5 | Very low | 34 | Very low | 177 Ų | 177 | 147.4 Ų | 147.4 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | | | trans | -72.4 | 99 | 166.5 | -133.9 | 80 | 0 | 0 | 0 | 107.3 | K341 Y345 | K341-L343 PolarHBondContact O-N 3.44Å; L343-Y345 PolarHBondContact O-N 3.5Å; L343-Y345 VanDerWaalsContact O-N 3.15Å |
| 344 | H | 37 | Very low | 33.8 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 75% | 0.75 | 76% | 0.76 | S | S | * | * | | | trans | -71.6 | 109.4 | 176.4 | -92.4 | -99.7 | 0 | 0 | 0 | 111.3 | D342 | D342-H344 PolarHBondContact O-N 2.94Š|
| 345 | Y | 31.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 149 Ų | 149 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.7 | 169.9 | -159.1 | -99.2 | 0 | 0 | 0 | 111.1 | V59 L343 | V59-Y345 HydrophobicContact CG1-CE2 4.38Å; L343-Y345 PolarHBondContact O-N 3.5Å; L343-Y345 VanDerWaalsContact O-N 3.15Å |
| 346 | Y | 32.3 | Very low | 33.5 | Very low | 183 Ų | 183 | 150.3 Ų | 150.3 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 130.4 | 167.5 | -83.1 | -84.5 | 0 | 0 | 0 | 109.6 | T348 | Y346-T348 PolarHBondContact O-N 3.04Š|
| 347 | P | 38.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 152.1 Ų | 152.1 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.8 | 177.1 | -7.4 | 23 | 0 | 0 | 0 | 110.5 | C349 | P347-C349 PolarHBondContact O-N 3.08Š|
| 348 | T | 31.7 | Very low | 33.4 | Very low | 143 Ų | 143 | 154.8 Ų | 154.8 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | | | trans | -70.6 | 108.4 | 167.9 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | Y346 | Y346-T348 PolarHBondContact O-N 3.04Š|
| 349 | C | 29.5 | Very low | 33.1 | Very low | 98 Ų | 98 | 156.7 Ų | 156.7 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -86.4 | 108.3 | 165.4 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | P347 Y351 | P347-C349 PolarHBondContact O-N 3.08Å; C349-Y351 HydrophobicContact CB-CD2 4.26Å; C349-Y351 HydrophobicContact CB-CE2 4.13Å; C349-Y351 PolarHBondContact O-N 3.25Å |
| 350 | N | 31.9 | Very low | 33.2 | Very low | 148 Ų | 148 | 154.2 Ų | 154.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -65.4 | 122.2 | 163.1 | -115.1 | 2.3 | 0 | 0 | 0 | 108.2 | | |
| 351 | Y | 31.9 | Very low | 32.9 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 65% | 0.647 | 79% | 0.787 | S | S | * | * | | | trans | -119.8 | 79.6 | 169.1 | -88.9 | -78.9 | 0 | 0 | 0 | 108 | C349 Y354 | C349-Y351 HydrophobicContact CB-CD2 4.26Å; C349-Y351 HydrophobicContact CB-CE2 4.13Å; C349-Y351 PolarHBondContact O-N 3.25Å; Y351-Y354 HydrophobicContact CD1-CD2 4.42Å; Y351-Y354 AromaticContact CD1-CE2 3.65Å; Y351-Y354 HydrophobicContact CD1-CE2 3.65Å; Y351-Y354 AromaticContact CE1-CE2 3.74Å; Y351-Y354 HydrophobicContact CE1-CE2 3.74Å |
| 352 | D | 29.2 | Very low | 32.6 | Very low | 134 Ų | 134 | 157.6 Ų | 157.6 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | | | trans | -107.1 | 144.7 | 155.7 | -67.9 | -43.4 | 0 | 0 | 0 | 106.6 | | |
| 353 | D | 30.4 | Very low | 32.4 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 79% | 0.79 | S | S | * | * | | | trans | 80.9 | 83.7 | -177.4 | -58.9 | -21.9 | 0 | 0 | 0 | 118 | | |
| 354 | Y | 32.8 | Very low | 32.2 | Very low | 178 Ų | 178 | 156.6 Ų | 156.6 | 70% | 0.698 | 79% | 0.786 | S | S | * | * | | | trans | -111.7 | 88.6 | 148.2 | -87.9 | -75.3 | 0 | 0 | 0 | 109.7 | Y351 F356 | Y351-Y354 HydrophobicContact CD1-CD2 4.42Å; Y351-Y354 AromaticContact CD1-CE2 3.65Å; Y351-Y354 HydrophobicContact CD1-CE2 3.65Å; Y351-Y354 AromaticContact CE1-CE2 3.74Å; Y351-Y354 HydrophobicContact CE1-CE2 3.74Å; Y354-F356 PolarHBondContact O-N 3.09Å |
| 355 | T | 31.4 | Very low | 31.9 | Very low | 131 Ų | 131 | 155.3 Ų | 155.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -70.6 | 110.9 | 152.1 | 38 | 0 | 0 | 0 | 0 | 108.3 | E357 | T355-E357 PolarHBondContact O-N 2.88Š|
| 356 | F | 33.2 | Very low | 31.9 | Very low | 193 Ų | 193 | 153 Ų | 153 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -79.4 | 100.3 | 173.6 | -116.6 | -90.3 | 0 | 0 | 0 | 109.3 | Y354 | Y354-F356 PolarHBondContact O-N 3.09Š|
| 357 | E | 34.1 | Very low | 32 | Very low | 182 Ų | 182 | 152.9 Ų | 152.9 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | | | trans | -72.5 | 129.1 | 166.7 | -156.7 | 165.4 | -161.3 | 0 | 0 | 108.9 | T355 | T355-E357 PolarHBondContact O-N 2.88Š|
| 358 | K | 32.3 | Very low | 31.5 | Very low | 187 Ų | 187 | 155.1 Ų | 155.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -69 | 128.8 | 174 | -73 | 172.8 | 175 | 173.1 | 0 | 108.1 | | |
| 359 | D | 28.5 | Very low | 31.4 | Very low | 164 Ų | 164 | 155.3 Ų | 155.3 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | | | trans | 158.1 | 104.7 | 139.9 | -79.6 | -21.5 | 0 | 0 | 0 | 110.7 | | |
| 360 | A | 34.8 | Very low | 31.5 | Very low | 105 Ų | 105 | 160.6 Ų | 160.6 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | | | trans | -174.8 | 95.8 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 361 | V | 30.1 | Very low | 31.5 | Very low | 143 Ų | 143 | 158.2 Ų | 158.2 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -66.1 | 119.6 | 163.3 | 171.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 362 | R | 33.6 | Very low | 31.4 | Very low | 244 Ų | 244 | 157.8 Ų | 157.8 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -165.6 | 123 | 147.1 | -116.3 | 175.1 | 179.9 | -148.4 | -0.4 | 112 | | |
| 363 | Q | 29 | Very low | 31.4 | Very low | 160 Ų | 160 | 158.7 Ų | 158.7 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | | | trans | -71.8 | 169.3 | -178.9 | -60.6 | -144.2 | -8.8 | 0 | 0 | 114 | | |
| 364 | P | 33.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 161.4 Ų | 161.4 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | | | trans | -126.6 | 121.1 | 130.8 | 31.5 | -18.9 | 0 | 0 | 0 | 112.9 | | |
| 365 | L | 29.9 | Very low | 31.5 | Very low | 135 Ų | 135 | 160.3 Ų | 160.3 | 71% | 0.707 | 83% | 0.831 | S | S | * | * | | | trans | -64.9 | 150.5 | 158.9 | -90.9 | 148.8 | 0 | 0 | 0 | 111 | | |
| 366 | N | 31.8 | Very low | 31.2 | Very low | 136 Ų | 136 | 157.3 Ų | 157.3 | 73% | 0.727 | 83% | 0.826 | S | S | * | * | | | trans | 72.1 | 92.9 | 156.7 | -63.6 | -18.4 | 0 | 0 | 0 | 119.5 | | |
| 367 | I | 35.6 | Very low | 31.4 | Very low | 181 Ų | 181 | 156.5 Ų | 156.5 | 93% | 0.928 | 83% | 0.825 | S | S | * | * | | | | -141.3 | 93.1 | 129.9 | -71.4 | 110.7 | 0 | 0 | 0 | 107.1 | | |
| 368 | L | 27.1 | Very low | 31.1 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 81% | 0.806 | 82% | 0.821 | S | S | * | * | | | trans | -117.6 | 143.8 | 162.7 | -169.5 | 69.4 | 0 | 0 | 0 | 106.2 | | |
| 369 | N | 29.1 | Very low | 31.2 | Very low | 147 Ų | 147 | 153.2 Ų | 153.2 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | | | trans | 95.9 | 68.4 | 178.7 | -54.9 | -22.2 | 0 | 0 | 0 | 117.2 | | |
| 370 | K | 31 | Very low | 31.1 | Very low | 209 Ų | 209 | 150.6 Ų | 150.6 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -172.9 | 92.8 | 145.7 | -120.6 | 171.4 | 178.2 | 175.7 | 0 | 110.4 | | |
| 371 | A | 33.2 | Very low | 31 | Very low | 98 Ų | 98 | 156.7 Ų | 156.7 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | 168.7 | 31.6 | 154 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 372 | N | 28.7 | Very low | 31 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -94.6 | 133.6 | 159.8 | -73.8 | -22 | 0 | 0 | 0 | 107.2 | | |
| 373 | N | 30.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 151.5 Ų | 151.5 | 82% | 0.824 | 80% | 0.804 | S | S | * | * | | | trans | 85.8 | 85.1 | -173.8 | -56.5 | -26 | 0 | 0 | 0 | 115 | | |
| 374 | F | 31.1 | Very low | 30.9 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | -160.8 | 133.7 | 136 | -111.4 | -79.6 | 0 | 0 | 0 | 109 | | |
| 375 | I | 32.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 94.3 | 77 | 165.9 | -50.3 | 147.4 | 0 | 0 | 0 | 114.8 | | |
| 376 | G | 26.8 | Very low | 31.4 | Very low | 69 Ų | 69 | 153.9 Ų | 153.9 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -85.2 | 138.8 | 133.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 377 | Q | 37.1 | Very low | 31.5 | Very low | 176 Ų | 176 | 154.8 Ų | 154.8 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | | | trans | 171.5 | 94 | 154.3 | -96.5 | 170.4 | 41.7 | 0 | 0 | 105.3 | | |
| 378 | N | 28.2 | Very low | 31.3 | Very low | 144 Ų | 144 | 152.6 Ų | 152.6 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | | | | 58.4 | 113.4 | 96.5 | -74.3 | -38.7 | 0 | 0 | 0 | 113.4 | | |
| 379 | I | 33.4 | Very low | 31.6 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | | | | -165 | 114.9 | 120.3 | -81.2 | 140.2 | 0 | 0 | 0 | 107 | Y381 | I379-Y381 HydrophobicContact CG2-CD2 4.24Å; I379-Y381 HydrophobicContact CG2-CE2 4.1Å |
| 380 | C | 25.6 | Very low | 31.9 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 73% | 0.73 | 80% | 0.799 | S | S | * | * | | | trans | -90.8 | 146.1 | 170.9 | -67.1 | 0 | 0 | 0 | 0 | 110 | | |
| 381 | Y | 32.8 | Very low | 31.9 | Very low | 233 Ų | 233 | 148.3 Ų | 148.3 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | | | trans | -127.5 | 138.5 | 147.6 | -82.5 | -79.9 | 0 | 0 | 0 | 108.9 | I379 | I379-Y381 HydrophobicContact CG2-CD2 4.24Å; I379-Y381 HydrophobicContact CG2-CE2 4.1Å |
| 382 | Q | 30.2 | Very low | 31.7 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -123.1 | 141.8 | -156.4 | 171.8 | 167.8 | -2.6 | 0 | 0 | 110.2 | | |
| 383 | S | 30.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 150.2 Ų | 150.2 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | 155.5 | 131.8 | 151.6 | 37.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 384 | D | 30.8 | Very low | 32.1 | Very low | 152 Ų | 152 | 151.2 Ų | 151.2 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | cis | -160 | 152.9 | 2.9 | -88.2 | -37.8 | 0 | 0 | 0 | 108.6 | | |
| 385 | P | 36.4 | Very low | 32.1 | Very low | 113 Ų | 113 | 149.6 Ų | 149.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | | | trans | -112.4 | 151.7 | 174.6 | 37.3 | -26.6 | 0 | 0 | 0 | 113 | | |
| 386 | K | 36.9 | Very low | 32.1 | Very low | 208 Ų | 208 | 150 Ų | 150 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | | | trans | -162.7 | 134.3 | 154.1 | -109.7 | 162.6 | -168.4 | -178.2 | 0 | 113.9 | | |
| 387 | L | 34.5 | Very low | 32.2 | Very low | 155 Ų | 155 | 158.2 Ų | 158.2 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | 76 | 103 | 167.1 | -101.6 | 66.1 | 0 | 0 | 0 | 117.6 | | |
| 388 | I | 31.6 | Very low | 32.2 | Very low | 135 Ų | 135 | 158.1 Ų | 158.1 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | | | cis | 81.3 | 116.4 | 42.8 | -61.4 | 178.9 | 0 | 0 | 0 | 114.4 | | |
| 389 | N | 31.8 | Very low | 32.2 | Very low | 132 Ų | 132 | 160.2 Ų | 160.2 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | 78.1 | 138.4 | 155.4 | -68.5 | -12.2 | 0 | 0 | 0 | 118 | | |
| 390 | Q | 36.5 | Very low | 32.3 | Very low | 164 Ų | 164 | 160.5 Ų | 160.5 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | cis | -165.8 | 132.5 | 26.3 | -123.6 | 155.6 | 27.2 | 0 | 0 | 111.6 | | |
| 391 | T | 31.8 | Very low | 32.5 | Very low | 125 Ų | 125 | 163.4 Ų | 163.4 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | 41.2 | 130.2 | 135 | -36.8 | 0 | 0 | 0 | 0 | 124.6 | | |
| 392 | C | 28.4 | Very low | 32.4 | Very low | 111 Ų | 111 | 158 Ų | 158 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | | | trans | -47.7 | 156.4 | 165.7 | -59.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 393 | H | 33.3 | Very low | 32.6 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 84% | 0.843 | 80% | 0.797 | S | S | * | * | | | | -178.5 | 124.3 | 121.7 | -101.3 | -75.4 | 0 | 0 | 0 | 110.1 | | |
| 394 | H | 33.7 | Very low | 32.6 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | | | | 163.1 | 138.1 | 110.4 | -151.1 | 65.6 | 0 | 0 | 0 | 111 | | |
| 395 | H | 31.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 159 Ų | 159 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | trans | -117.1 | 119.2 | -160.9 | -171.2 | 98.1 | 0 | 0 | 0 | 107.7 | | |
| 396 | Q | 31.9 | Very low | 32.6 | Very low | 164 Ų | 164 | 160.7 Ų | 160.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -158.8 | 103.1 | 160.4 | -139.6 | 164.2 | 1.7 | 0 | 0 | 111.1 | | |
| 397 | R | 29.8 | Very low | 32.5 | Very low | 241 Ų | 241 | 159.6 Ų | 159.6 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -106.1 | 120.6 | 166 | -91.6 | -161.9 | 163.5 | -133.7 | -2.8 | 109.1 | | |
| 398 | Q | 37.1 | Very low | 32.3 | Very low | 174 Ų | 174 | 158.6 Ų | 158.6 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -96.4 | 138 | 158.3 | -67.5 | -171.9 | 26.1 | 0 | 0 | 109 | | |
| 399 | Q | 28.6 | Very low | 32.4 | Very low | 187 Ų | 187 | 161.7 Ų | 161.7 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | | | trans | -89.7 | 129.8 | -177.5 | -56.3 | 178.3 | 25.8 | 0 | 0 | 109.8 | | |
| 400 | I | 35.4 | Very low | 32.6 | Very low | 162 Ų | 162 | 159.7 Ų | 159.7 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -143.4 | 121.1 | 159.7 | -55.4 | -178.9 | 0 | 0 | 0 | 110.2 | | |
| 401 | Q | 28.8 | Very low | 32.1 | Very low | 170 Ų | 170 | 158.7 Ų | 158.7 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | | | trans | -13.3 | 147.2 | 167.2 | -54 | -83 | 33.3 | 0 | 0 | 120.6 | | |
| 402 | P | 30.8 | Very low | 32.2 | Very low | 120 Ų | 120 | 160.4 Ų | 160.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 121.3 | 167.4 | 34.2 | -24.8 | 0 | 0 | 0 | 112.1 | | |
| 403 | T | 35.8 | Very low | 32.3 | Very low | 142 Ų | 142 | 163.2 Ų | 163.2 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 130.2 | 168.7 | 28.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 404 | T | 30.2 | Very low | 32.1 | Very low | 123 Ų | 123 | 162.7 Ų | 162.7 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 136.5 | 169.4 | 38.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 405 | H | 35.3 | Very low | 31.9 | Very low | 186 Ų | 186 | 158.9 Ų | 158.9 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -148.2 | 114.4 | 153.1 | -126.7 | -84.3 | 0 | 0 | 0 | 111.7 | | |
| 406 | L | 30.7 | Very low | 32.1 | Very low | 148 Ų | 148 | 158.9 Ų | 158.9 | 78% | 0.775 | 80% | 0.796 | S | S | * | * | | | trans | -65 | 150.2 | 167.7 | -77.4 | 90.2 | 0 | 0 | 0 | 111.6 | | |
| 407 | K | 35.6 | Very low | 32.1 | Very low | 184 Ų | 184 | 158.7 Ų | 158.7 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | | | | 177.3 | 117.6 | 118.8 | -96.4 | 169.3 | -180 | -176.9 | 0 | 110 | | |
| 408 | M | 29.7 | Very low | 32.1 | Very low | 134 Ų | 134 | 154.6 Ų | 154.6 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | | | | 66.5 | 125.8 | 110.4 | -66.4 | -163.7 | 73.9 | 0 | 0 | 114.1 | | |
| 409 | Y | 33.6 | Very low | 31.8 | Very low | 200 Ų | 200 | 156.6 Ų | 156.6 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | | | | -150.9 | 160.4 | 53.9 | -91.6 | -95.8 | 0 | 0 | 0 | 114.3 | | |
| 410 | P | 36 | Very low | 32 | Very low | 91 Ų | 91 | 156.2 Ų | 156.2 | 59% | 0.591 | 79% | 0.792 | S | S | * | * | | | trans | -98.8 | -177 | 178.2 | 38.7 | -26.1 | 0 | 0 | 0 | 112.5 | | |
| 411 | D | 27.4 | Very low | 31.6 | Very low | 143 Ų | 143 | 156.3 Ų | 156.3 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | 118.6 | 145 | 159 | -57.8 | -28 | 0 | 0 | 0 | 115.5 | | |
| 412 | I | 33.8 | Very low | 31.6 | Very low | 160 Ų | 160 | 155 Ų | 155 | 82% | 0.821 | 79% | 0.792 | S | S | * | * | | | trans | 90.7 | 52.8 | 179.3 | -37 | 159.1 | 0 | 0 | 0 | 115.6 | | |
| 413 | L | 30.2 | Very low | 31.6 | Very low | 171 Ų | 171 | 154.9 Ų | 154.9 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | | | trans | -147.6 | 65.2 | 150.3 | -91.7 | 175.9 | 0 | 0 | 0 | 109 | | |
| 414 | N | 28 | Very low | 31.5 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -158.3 | 64.2 | 166.5 | -96.7 | -26.4 | 0 | 0 | 0 | 110.1 | | |
| 415 | S | 30.7 | Very low | 31.8 | Very low | 94 Ų | 94 | 157.7 Ų | 157.7 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -153.9 | 136.3 | 160.2 | 56.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 416 | H | 34 | Very low | 31.4 | Very low | 172 Ų | 172 | 156.1 Ų | 156.1 | 80% | 0.796 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 107.7 | 3.7 | 174.4 | -67.2 | -80 | 0 | 0 | 0 | 121.2 | | |
| 417 | L | 33.2 | Very low | 31.7 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -121.3 | 67.9 | 165.1 | -72.9 | 168.4 | 0 | 0 | 0 | 111.1 | Y419 | L417-Y419 HydrophobicContact CD2-CD2 4.5Å; L417-Y419 HydrophobicContact CD2-CE2 4.19Å |
| 418 | N | 30.4 | Very low | 31.6 | Very low | 155 Ų | 155 | 156.6 Ų | 156.6 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | | | trans | -131.5 | 74.1 | 165.9 | -126.1 | -22.4 | 0 | 0 | 0 | 107.6 | K420 | N418-K420 PolarHBondContact O-N 3.17Š|
| 419 | Y | 29.5 | Very low | 31.8 | Very low | 215 Ų | 215 | 160.9 Ų | 160.9 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | -73.9 | 83.9 | 162.8 | -71.4 | -79.9 | 0 | 0 | 0 | 107.1 | L417 L421 | L417-Y419 HydrophobicContact CD2-CD2 4.5Å; L417-Y419 HydrophobicContact CD2-CE2 4.19Å; Y419-L421 PolarHBondContact O-N 3.12Å; Y419-L421 VanDerWaalsContact O-N 3.14Å |
| 420 | K | 32.4 | Very low | 31.6 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | | | trans | -67.2 | 106.2 | 165.3 | -169.6 | 172.1 | -176.3 | 180 | 0 | 106.8 | N418 L422 | N418-K420 PolarHBondContact O-N 3.17Å; K420-L422 PolarHBondContact O-N 3.43Å |
| 421 | L | 27.5 | Very low | 31.6 | Very low | 165 Ų | 165 | 161.5 Ų | 161.5 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | | | trans | -51 | 99.8 | 167.6 | -164.6 | 75.2 | 0 | 0 | 0 | 108.2 | Y419 | Y419-L421 PolarHBondContact O-N 3.12Å; Y419-L421 VanDerWaalsContact O-N 3.14Å |
| 422 | L | 29.5 | Very low | 31.9 | Very low | 143 Ų | 143 | 160.2 Ų | 160.2 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | | | trans | -95.9 | 111.6 | 174.5 | -159.4 | 72.6 | 0 | 0 | 0 | 107.6 | K420 V424 | K420-L422 PolarHBondContact O-N 3.43Å; L422-V424 PolarHBondContact O-N 3.12Å |
| 423 | T | 30.6 | Very low | 31.7 | Very low | 117 Ų | 117 | 163.1 Ų | 163.1 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | | | trans | -60.7 | 113.3 | 170.9 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | K425 | T423-K425 PolarHBondContact O-N 3.36Š|
| 424 | V | 32.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 160.8 Ų | 160.8 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -77.4 | 108.7 | 168.2 | 177.9 | 0 | 0 | 0 | 0 | 106.6 | L422 | L422-V424 PolarHBondContact O-N 3.12Š|
| 425 | K | 36 | Very low | 32.4 | Very low | 187 Ų | 187 | 162.1 Ų | 162.1 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | | | trans | -77.9 | 130.4 | 162.2 | -72.7 | -171.7 | 172.3 | -171.8 | 0 | 107.9 | T423 E427 | T423-K425 PolarHBondContact O-N 3.36Å; K425-E427 PolarHBondContact O-N 3.38Å |
| 426 | D | 28.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 165 Ų | 165 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | | | trans | -51.5 | 127.1 | 165.4 | -54.8 | -62 | 0 | 0 | 0 | 109.7 | | |
| 427 | E | 35.9 | Very low | 32.6 | Very low | 191 Ų | 191 | 162.9 Ų | 162.9 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | | | trans | -153.6 | 138.6 | 146.8 | -78.1 | -140.8 | -178.5 | 0 | 0 | 110.5 | K425 | K425-E427 PolarHBondContact O-N 3.38Š|
| 428 | D | 33.6 | Very low | 32.6 | Very low | 151 Ų | 151 | 166.2 Ų | 166.2 | 81% | 0.807 | 81% | 0.814 | S | S | * | * | | | trans | -59 | 135.9 | -169 | -61.5 | -64.6 | 0 | 0 | 0 | 114.7 | | |
| 429 | Y | 33.8 | Very low | 32.8 | Very low | 223 Ų | 223 | 166.7 Ų | 166.7 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | | | trans | -147.6 | 99.9 | 152.4 | -124.5 | -85.9 | 0 | 0 | 0 | 111.8 | K431 | Y429-K431 PolarHBondContact O-N 3.28Š|
| 430 | S | 29.6 | Very low | 33.1 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | | | trans | -56.8 | 122.2 | 166.8 | -50.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 431 | K | 37.2 | Very low | 33 | Very low | 191 Ų | 191 | 155 Ų | 155 | 83% | 0.83 | 81% | 0.812 | S | S | * | * | | | trans | -136.5 | 116.3 | 156.7 | -102.9 | 176.3 | -177.5 | 173.7 | 0 | 109.8 | Y429 | Y429-K431 PolarHBondContact O-N 3.28Š|
| 432 | S | 33.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 153 Ų | 153 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 141.5 | 180 | 38.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 433 | Y | 28.3 | Very low | 33.4 | Very low | 220 Ų | 220 | 154.4 Ų | 154.4 | 86% | 0.863 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 142.9 | 163.3 | -75.6 | -89.9 | 0 | 0 | 0 | 109.8 | | |
| 434 | P | 43.4 | Very low | 33.4 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 120.8 | 164.2 | 30.8 | -25.7 | 0 | 0 | 0 | 110 | | |
| 435 | Y | 29.6 | Very low | 33.4 | Very low | 199 Ų | 199 | 156.3 Ų | 156.3 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 127.9 | 167.4 | -131.7 | -99.3 | 0 | 0 | 0 | 109 | N437 | Y435-N437 WeakPolarHBondContact CD1-OD1 3.47Å; Y435-N437 WeakPolarHBondContact CE1-OD1 2.92Å |
| 436 | N | 35.7 | Very low | 33.1 | Very low | 153 Ų | 153 | 158 Ų | 158 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -115.7 | 107.2 | 159.6 | -86.1 | -21.9 | 0 | 0 | 0 | 108.1 | | |
| 437 | N | 33.2 | Very low | 33 | Very low | 128 Ų | 128 | 155.5 Ų | 155.5 | 68% | 0.684 | 81% | 0.812 | S | S | * | * | | | trans | -68.6 | 128.7 | 168.5 | -71.4 | -52.3 | 0 | 0 | 0 | 109.5 | Y435 | Y435-N437 WeakPolarHBondContact CD1-OD1 3.47Å; Y435-N437 WeakPolarHBondContact CE1-OD1 2.92Å |
| 438 | Y | 33.8 | Very low | 32.8 | Very low | 232 Ų | 232 | 151.9 Ų | 151.9 | 91% | 0.91 | 80% | 0.803 | S | S | * | * | | | trans | -122.5 | 102.2 | 149.9 | -92.4 | -83.8 | 0 | 0 | 0 | 107.1 | | |
| 439 | D | 34.5 | Very low | 32.7 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | | | trans | -81.8 | 146.9 | 163.3 | -175.3 | 16.5 | 0 | 0 | 0 | 108.3 | | |
| 440 | G | 35 | Very low | 32.7 | Very low | 69 Ų | 69 | 148.3 Ų | 148.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 142.1 | 103.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 441 | G | 31.4 | Very low | 32.8 | Very low | 78 Ų | 78 | 149.4 Ų | 149.4 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 111.8 | 87.6 | 140 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q443 | G441-Q443 PolarHBondContact O-N 3.47Š|
| 442 | S | 31.4 | Very low | 32.6 | Very low | 124 Ų | 124 | 149.4 Ų | 149.4 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | | | trans | -53 | 123.6 | 157.3 | -46.5 | 0 | 0 | 0 | 0 | 111 | | |
| 443 | Q | 33.8 | Very low | 32.6 | Very low | 172 Ų | 172 | 151.5 Ų | 151.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -146.6 | 121.9 | 151.7 | -99.1 | -176.8 | 44.8 | 0 | 0 | 111.2 | G441 | G441-Q443 PolarHBondContact O-N 3.47Š|
| 444 | S | 30.1 | Very low | 32.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | | | trans | -57 | 128.3 | 171.2 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | | |
| 445 | F | 32.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 149.6 Ų | 149.6 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | | | trans | -126.2 | 97.7 | 155.7 | -83.7 | -78 | 0 | 0 | 0 | 110.8 | | |
| 446 | R | 30.9 | Very low | 32.4 | Very low | 221 Ų | 221 | 146.6 Ų | 146.6 | 83% | 0.834 | 79% | 0.786 | S | S | * | * | | | trans | -25.3 | 122.1 | 157.8 | -143.9 | 171.7 | -173.6 | -161.1 | 1.1 | 113.7 | | |
| 447 | S | 26.2 | Very low | 32.3 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | trans | -65.8 | 133.1 | 158.4 | 49.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 448 | V | 31.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 146.7 Ų | 146.7 | 70% | 0.703 | 79% | 0.785 | S | S | * | * | | | trans | -114.8 | 104 | 166.7 | 174.1 | 0 | 0 | 0 | 0 | 106.6 | I450 | V448-I450 HydrophobicContact CG1-CD1 4.33Å; V448-I450 HydrophobicContact CG1-CG1 4.01Å |
| 449 | I | 31.5 | Very low | 32.3 | Very low | 150 Ų | 150 | 143.2 Ų | 143.2 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -87.5 | 118.5 | 167 | -65.7 | 176.2 | 0 | 0 | 0 | 106.4 | | |
| 450 | I | 34.4 | Very low | 32.3 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | trans | -111.9 | 93 | 159.5 | -58.3 | 173.1 | 0 | 0 | 0 | 103 | V448 | V448-I450 HydrophobicContact CG1-CD1 4.33Å; V448-I450 HydrophobicContact CG1-CG1 4.01Å |
| 451 | H | 30.6 | Very low | 32 | Very low | 135 Ų | 135 | 142.7 Ų | 142.7 | 63% | 0.625 | 78% | 0.78 | S | S | * | * | | | | 55.7 | 81.6 | 84.7 | -146.3 | -75.1 | 0 | 0 | 0 | 112.3 | | |
| 452 | E | 32.5 | Very low | 32 | Very low | 192 Ų | 192 | 143 Ų | 143 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | | | trans | -150.1 | 125 | 138.6 | -117.6 | 170.8 | -169.9 | 0 | 0 | 111 | | |
| 453 | K | 34.1 | Very low | 31.8 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 70% | 0.696 | 77% | 0.766 | S | S | * | * | | | trans | -75.4 | 141.7 | 179.5 | -69.3 | 165 | 165.7 | 169.3 | 0 | 108.3 | | |
| 454 | N | 33.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | | | | -179.2 | 120.1 | 106.9 | -83.8 | -24 | 0 | 0 | 0 | 110.8 | | |
| 455 | N | 30.5 | Very low | 31.6 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | trans | -58.3 | 145.9 | 161.2 | -78.5 | -35.4 | 0 | 0 | 0 | 110.4 | | |
| 456 | T | 32.8 | Very low | 31.5 | Very low | 137 Ų | 137 | 146.1 Ų | 146.1 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | | | | -159.4 | 118.8 | 117.6 | 31.8 | 0 | 0 | 0 | 0 | 109.4 | | |
| 457 | I | 35.3 | Very low | 31.5 | Very low | 133 Ų | 133 | 138.2 Ų | 138.2 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | | | trans | -79.2 | 129.1 | 165 | -67.9 | 160.8 | 0 | 0 | 0 | 106 | | |
| 458 | D | 34.8 | Very low | 31.7 | Very low | 149 Ų | 149 | 141 Ų | 141 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | trans | -133.6 | 97.1 | 152.7 | -84.3 | -36.3 | 0 | 0 | 0 | 108.8 | S460 | D458-S460 PolarHBondContact O-N 3.43Š|
| 459 | N | 31.8 | Very low | 31.7 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | -76.5 | 101.5 | 155.3 | -78.7 | -34.6 | 0 | 0 | 0 | 107.1 | | |
| 460 | S | 33.5 | Very low | 31.5 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | | | trans | -111.7 | 97.9 | 161 | 50.8 | 0 | 0 | 0 | 0 | 108.7 | D458 S462 | D458-S460 PolarHBondContact O-N 3.43Å; S460-S462 PolarHBondContact O-N 2.98Å; S460-S462 VanDerWaalsContact O-N 3.12Å |
| 461 | S | 28.8 | Very low | 31.4 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -65.2 | 102.2 | 155.8 | 64.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 462 | S | 31.5 | Very low | 31.2 | Very low | 85 Ų | 85 | 146.9 Ų | 146.9 | 59% | 0.594 | 78% | 0.778 | S | S | * | * | | | trans | -116.8 | 100.7 | 161.4 | 69.9 | 0 | 0 | 0 | 0 | 108.8 | S460 F464 | S460-S462 PolarHBondContact O-N 2.98Å; S460-S462 VanDerWaalsContact O-N 3.12Å; S462-F464 PolarHBondContact O-N 2.86Å |
| 463 | V | 28.1 | Very low | 31.1 | Very low | 127 Ų | 127 | 142.4 Ų | 142.4 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | -52.3 | 111 | 155.9 | 171.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 464 | F | 30.2 | Very low | 31 | Very low | 184 Ų | 184 | 143.1 Ų | 143.1 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -127.6 | 100.9 | 161.6 | -97.4 | -81.2 | 0 | 0 | 0 | 108.7 | S462 | S462-F464 PolarHBondContact O-N 2.86Š|
| 465 | T | 28.8 | Very low | 30.9 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 70% | 0.699 | 77% | 0.771 | S | S | * | * | | | trans | -86.7 | 111.1 | 163.1 | 43.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 466 | Y | 31.6 | Very low | 31 | Very low | 231 Ų | 231 | 142.6 Ų | 142.6 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | trans | -170.6 | 124.5 | 154.3 | -91 | -78.4 | 0 | 0 | 0 | 103 | | |
| 467 | G | 30.9 | Very low | 30.9 | Very low | 55 Ų | 55 | 142 Ų | 142 | 57% | 0.567 | 77% | 0.767 | S | S | * | * | | | cis | 126.4 | 108.9 | 34.3 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 468 | N | 28.6 | Very low | 30.8 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 86% | 0.861 | 77% | 0.773 | S | S | * | * | | | trans | 77.1 | 129.8 | 170.2 | -40.9 | -33.8 | 0 | 0 | 0 | 113.6 | | |
| 469 | E | 31.8 | Very low | 30.8 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 78% | 0.777 | S | S | * | * | | | cis | -146.1 | 143.9 | 39 | -70.7 | 176.2 | 149.1 | 0 | 0 | 112 | I471 | E469-I471 PolarHBondContact O-N 2.96Š|
| 470 | R | 27.5 | Very low | 31 | Very low | 249 Ų | 249 | 144.7 Ų | 144.7 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | | | trans | -81.1 | 107.8 | 172.1 | -81.4 | -174.9 | -98.2 | -163.8 | -7.2 | 109.4 | | |
| 471 | I | 32.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 151.6 Ų | 151.6 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | -119.5 | 91.4 | 154.8 | -57.8 | 176.2 | 0 | 0 | 0 | 106.8 | E469 | E469-I471 PolarHBondContact O-N 2.96Š|
| 472 | C | 26.8 | Very low | 31.7 | Very low | 100 Ų | 100 | 153.3 Ų | 153.3 | 68% | 0.676 | 79% | 0.786 | S | S | * | * | | | trans | -97.2 | 80.7 | 176.5 | -169.5 | 0 | 0 | 0 | 0 | 108.2 | K474 | C472-K474 PolarHBondContact O-N 3.01Š|
| 473 | S | 31 | Very low | 31.9 | Very low | 98 Ų | 98 | 159.2 Ų | 159.2 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | trans | -91.5 | 87 | 167.6 | -52.3 | 0 | 0 | 0 | 0 | 108 | E475 | S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.32Å; S473-E475 VanDerWaalsContact O-N 3.13Å |
| 474 | K | 32.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 164.3 Ų | 164.3 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | trans | -79.7 | 80.3 | 168.8 | -78.3 | 177.3 | 178.5 | 173.9 | 0 | 109.1 | C472 S476 | C472-K474 PolarHBondContact O-N 3.01Å; K474-S476 PolarHBondContact O-N 3.01Å |
| 475 | E | 29.6 | Very low | 33.4 | Very low | 181 Ų | 181 | 161.1 Ų | 161.1 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -94.1 | 81.2 | 161.3 | -74.1 | -177 | 168.6 | 0 | 0 | 108.6 | S473 | S473-E475 VanDerWaalsContact C-N 3.29Å; S473-E475 PolarHBondContact O-N 3.32Å; S473-E475 VanDerWaalsContact O-N 3.13Å |
| 476 | S | 32.7 | Very low | 33.6 | Very low | 111 Ų | 111 | 167 Ų | 167 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -133.3 | 61.1 | 163.4 | 73.5 | 0 | 0 | 0 | 0 | 108.4 | K474 | K474-S476 PolarHBondContact O-N 3.01Š|
| 477 | T | 31.3 | Very low | 33.8 | Very low | 124 Ų | 124 | 165.9 Ų | 165.9 | 76% | 0.761 | 83% | 0.826 | S | S | * | * | | | trans | -124.2 | 86.9 | 176.5 | 51.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 478 | S | 34.1 | Very low | 34 | Very low | 115 Ų | 115 | 171.4 Ų | 171.4 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -175.6 | -22.2 | 143.8 | -138.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 479 | F | 32.9 | Very low | 34.3 | Very low | 200 Ų | 200 | 171.9 Ų | 171.9 | 88% | 0.877 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | -4.8 | -161.6 | -141.1 | -99.3 | 0 | 0 | 0 | 117.5 | | |
| 480 | E | 37.8 | Very low | 34.4 | Very low | 182 Ų | 182 | 171.5 Ų | 171.5 | 85% | 0.85 | 84% | 0.838 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 12.1 | -175.9 | -90.7 | -135.5 | 162.1 | 0 | 0 | 115.8 | | |
| 481 | R | 35 | Very low | 34.8 | Very low | 246 Ų | 246 | 166.9 Ų | 166.9 | 93% | 0.928 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -99.4 | 4.3 | -177.6 | -94.1 | -174.6 | -168.3 | 171.4 | 4.6 | 117.3 | | |
| 482 | L | 40.8 | Very low | 35 | Very low | 158 Ų | 158 | 168.4 Ų | 168.4 | 83% | 0.827 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -108.9 | 3.6 | -172.3 | -97.1 | 149 | 0 | 0 | 0 | 116.1 | | |
| 483 | W | 36.7 | Very low | 35.5 | Very low | 209 Ų | 209 | 173 Ų | 173 | 79% | 0.792 | 85% | 0.849 | S | S | * | * | | | trans | -127.8 | 72.3 | -179.4 | -69.3 | 93.3 | 0 | 0 | 0 | 111.7 | | |
| 484 | R | 38.7 | Very low | 35.8 | Very low | 235 Ų | 235 | 178.4 Ų | 178.4 | 89% | 0.887 | 86% | 0.861 | S | S | * | * | | | trans | -112.4 | 115.8 | 155.6 | -79.1 | -159.8 | 178.3 | -109.6 | 2 | 108.7 | Y486 | R484-Y486 PolarHBondContact O-N 3.23Š|
| 485 | P | 49.6 | Very low | 36.1 | Very low | 117 Ų | 117 | 178.6 Ų | 178.6 | 76% | 0.76 | 87% | 0.868 | S | S | * | * | | | trans | -68.6 | 122.8 | 165.8 | 26.4 | -23.9 | 0 | 0 | 0 | 107.7 | V487 | P485-V487 PolarHBondContact O-N 3.45Š|
| 486 | Y | 32.9 | Very low | 36.7 | Very low | 238 Ų | 238 | 178.4 Ų | 178.4 | 93% | 0.933 | 87% | 0.87 | S | S | * | * | | | trans | -58.4 | 117.2 | 161.8 | -97.8 | -99.9 | 0 | 0 | 0 | 107.9 | R484 | R484-Y486 PolarHBondContact O-N 3.23Š|
| 487 | V | 37.7 | Very low | 37 | Very low | 206 Ų | 206 | 184.5 Ų | 184.5 | 100% | 1.248 | 88% | 0.879 | S | S | * | * | | | trans | -132.5 | 0 | 159.5 | 178.9 | 0 | 0 | 0 | 0 | 106.6 | P485 | P485-V487 PolarHBondContact O-N 3.45Š|