| 1 | M | 35.8 | Very low | 49.2 | Very low | 232 Ų | 232 | 140.4 Ų | 140.4 | 100% | 1.143 | 83% | 0.827 | S | S | * | * | | | | 0 | 105.2 | 0 | -76.7 | -68.3 | 153.6 | 0 | 0 | 109.1 | | |
| 2 | P | 45.9 | Very low | 49.1 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -82.7 | 132.4 | 174.3 | 32.2 | -27.1 | 0 | 0 | 0 | 110 | G4 | P2-G4 PolarHBondContact O-N 3.4Š|
| 3 | K | 53.2 | Low | 49.4 | Very low | 209 Ų | 209 | 133.9 Ų | 133.9 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | | | trans | -57.9 | 122.6 | -179.7 | -125.1 | 143.9 | 177.1 | 167.6 | 0 | 110.1 | R5 | K3-R5 PolarHBondContact O-N 3.31Å; K3-R5 VanDerWaalsContact O-N 3.09Å |
| 4 | G | 44.2 | Very low | 49.8 | Very low | 78 Ų | 78 | 131.8 Ų | 131.8 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -60.4 | 109.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P2 A6 | P2-G4 PolarHBondContact O-N 3.4Å; G4-A6 PolarHBondContact O-N 3.09Å |
| 5 | R | 52.6 | Low | 50.3 | Low | 242 Ų | 242 | 124.5 Ų | 124.5 | 91% | 0.913 | 75% | 0.745 | S | S | * | * | | | trans | -71 | 114.7 | 158.2 | -81.2 | -178.3 | 168.7 | -162.2 | -3.5 | 106.4 | K3 G7 | K3-R5 PolarHBondContact O-N 3.31Å; K3-R5 VanDerWaalsContact O-N 3.09Å; R5-G7 PolarHBondContact O-N 3.2Å |
| 6 | A | 50.8 | Low | 50.8 | Low | 102 Ų | 102 | 128.8 Ų | 128.8 | 84% | 0.843 | 74% | 0.744 | S | S | * | * | | | trans | -51.4 | 108.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | G4 S8 | G4-A6 PolarHBondContact O-N 3.09Å; A6-S8 PolarHBondContact O-N 3.09Å; A6-S8 VanDerWaalsContact O-N 3.15Å |
| 7 | G | 42 | Very low | 51.1 | Low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | trans | -57.8 | 120.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | R5 L9 | R5-G7 PolarHBondContact O-N 3.2Å; G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.38Å |
| 8 | S | 58.5 | Low | 51.4 | Low | 118 Ų | 118 | 132.4 Ų | 132.4 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | trans | -57.7 | 101.8 | 162.3 | 53.2 | 0 | 0 | 0 | 0 | 106.6 | A6 | A6-S8 PolarHBondContact O-N 3.09Å; A6-S8 VanDerWaalsContact O-N 3.15Å |
| 9 | L | 56.8 | Low | 52 | Low | 148 Ų | 148 | 131 Ų | 131 | 78% | 0.775 | 72% | 0.721 | S | S | * | * | | | trans | -51.7 | 133.4 | 172 | -105.9 | 78.5 | 0 | 0 | 0 | 107.3 | G7 T11 | G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.38Å; L9-T11 PolarHBondContact O-N 3.24Å |
| 10 | P | 48.3 | Very low | 52.5 | Low | 107 Ų | 107 | 127.6 Ų | 127.6 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | | | trans | -55.9 | 117.5 | 171.6 | 23.7 | -30.2 | 0 | 0 | 0 | 106.3 | T12 | P10-T12 PolarHBondContact O-N 2.99Š|
| 11 | T | 53.3 | Low | 52.7 | Low | 118 Ų | 118 | 130.8 Ų | 130.8 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | trans | -64 | 89.5 | 171.9 | -49.7 | 0 | 0 | 0 | 0 | 105.7 | L9 | L9-T11 PolarHBondContact O-N 3.24Š|
| 12 | T | 48 | Very low | 53.7 | Low | 87 Ų | 87 | 127 Ų | 127 | 53% | 0.534 | 68% | 0.68 | S | S | . | * | | | trans | -54.8 | 144.2 | 167.2 | 58.6 | 0 | 0 | 0 | 0 | 106.2 | P10 I14 G15 | P10-T12 PolarHBondContact O-N 2.99Å; T12-I14 PolarHBondContact O-N 3.06Å; T12-G15 PolarHBondContact O-N 3.33Å |
| 13 | S | 53.4 | Low | 54.2 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 77% | 0.769 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | -11 | -175.1 | 53.6 | 0 | 0 | 0 | 0 | 115.6 | G15 W16 | S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.28Å; S13-W16 PolarHBondContact O-N 3.06Å |
| 14 | I | 54.2 | Low | 54.5 | Low | 104 Ų | 104 | 114.5 Ų | 114.5 | 53% | 0.533 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -54.2 | -39.3 | 166.2 | -90.8 | 157.5 | 0 | 0 | 0 | 113.4 | T12 W16 R17 F18 | T12-I14 PolarHBondContact O-N 3.06Å; I14-W16 PolarHBondContact O-N 2.93Å; I14-W16 VanDerWaalsContact O-N 3.16Å; I14-R17 PolarHBondContact O-N 3.15Å; I14-F18 HydrophobicContact CG2-CD2 4.03Å; I14-F18 HydrophobicContact CG2-CE2 3.84Å; I14-F18 WeakPolarHBondContact O-CD2 3.38Å |
| 15 | G | 57.1 | Low | 55.2 | Low | 23 Ų | 23 | 117.8 Ų | 117.8 | 24% | 0.237 | 63% | 0.626 | C | S | . | * | H | α-helix | trans | -62.1 | -27.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T12 S13 Q19 | T12-G15 PolarHBondContact O-N 3.33Å; S13-G15 VanDerWaalsContact C-N 3.33Å; S13-G15 PolarHBondContact O-N 3.28Å; G15-Q19 WeakPolarHBondContact O-CG 3.48Å; G15-Q19 PolarHBondContact O-N 2.87Å |
| 16 | W | 58 | Low | 55.6 | Low | 192 Ų | 192 | 111.1 Ų | 111.1 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.4 | -31.8 | -178 | -138.5 | 42.5 | 0 | 0 | 0 | 112.9 | S13 I14 F18 Q19 | S13-W16 PolarHBondContact O-N 3.06Å; I14-W16 PolarHBondContact O-N 2.93Å; I14-W16 VanDerWaalsContact O-N 3.16Å; W16-F18 VanDerWaalsContact C-N 3.35Å; W16-Q19 VanDerWaalsContact CD1-OE1 3.3Å |
| 17 | R | 56.9 | Low | 56 | Low | 196 Ų | 196 | 108.2 Ų | 108.2 | 74% | 0.74 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.5 | -35.1 | 176.8 | -66 | -169.9 | 176.6 | 169.2 | -0.2 | 111.7 | I14 W21 | I14-R17 PolarHBondContact O-N 3.15Å; R17-W21 VanDerWaalsContact O-CD1 3.32Å |
| 18 | F | 56.9 | Low | 57 | Low | 127 Ų | 127 | 110 Ų | 110 | 56% | 0.557 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -84 | -18.6 | -179.2 | -63.9 | -70.2 | 0 | 0 | 0 | 114 | I14 W16 L20 W21 F22 | I14-F18 HydrophobicContact CG2-CD2 4.03Å; I14-F18 HydrophobicContact CG2-CE2 3.84Å; I14-F18 WeakPolarHBondContact O-CD2 3.38Å; W16-F18 VanDerWaalsContact C-N 3.35Å; F18-L20 VanDerWaalsContact C-N 3.25Å; F18-L20 PolarHBondContact O-N 2.72Å; F18-W21 WeakPolarHBondContact O-CB 3.38Å; F18-W21 PolarHBondContact O-N 2.72Å; F18-F22 PolarHBondContact O-N 3.23Å |
| 19 | Q | 61.6 | Low | 57.6 | Low | 106 Ų | 106 | 112.5 Ų | 112.5 | 50% | 0.495 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62 | -32.8 | 172.7 | -80.9 | 176.1 | 4 | 0 | 0 | 112.8 | G15 W16 W21 F22 L23 | G15-Q19 WeakPolarHBondContact O-CG 3.48Å; G15-Q19 PolarHBondContact O-N 2.87Å; W16-Q19 VanDerWaalsContact CD1-OE1 3.3Å; Q19-W21 VanDerWaalsContact C-N 3.33Å; Q19-F22 PolarHBondContact O-N 3.37Å; Q19-L23 WeakPolarHBondContact O-CB 3.15Å; Q19-L23 PolarHBondContact O-N 2.95Å |
| 20 | L | 61.7 | Low | 58.2 | Low | 62 Ų | 62 | 115.4 Ų | 115.4 | 33% | 0.325 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -35.5 | 178 | -143.2 | 77.7 | 0 | 0 | 0 | 111.9 | F18 L23 G24 L36 | F18-L20 VanDerWaalsContact C-N 3.25Å; F18-L20 PolarHBondContact O-N 2.72Å; L20-L23 PolarHBondContact O-N 3.41Å; L20-G24 PolarHBondContact O-N 2.94Å; L20-G24 VanDerWaalsContact O-N 3.13Å; L20-L36 HydrophobicContact CD2-CD2 4.07Å |
| 21 | W | 56.5 | Low | 59.4 | Low | 195 Ų | 195 | 113.7 Ų | 113.7 | 74% | 0.739 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.2 | -41.7 | 175.2 | -71.4 | 85.9 | 0 | 0 | 0 | 111.9 | R17 F18 Q19 L23 G24 | R17-W21 VanDerWaalsContact O-CD1 3.32Å; F18-W21 WeakPolarHBondContact O-CB 3.38Å; F18-W21 PolarHBondContact O-N 2.72Å; Q19-W21 VanDerWaalsContact C-N 3.33Å; W21-L23 VanDerWaalsContact C-N 3.32Å; W21-L23 PolarHBondContact O-N 3.48Å; W21-G24 PolarHBondContact O-N 3.22Å |
| 22 | F | 56.8 | Low | 60.3 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 67% | 0.667 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67 | -33.2 | 175 | -119 | -86.8 | 0 | 0 | 0 | 112.8 | F18 Q19 L25 T26 | F18-F22 PolarHBondContact O-N 3.23Å; Q19-F22 PolarHBondContact O-N 3.37Å; F22-L25 PolarHBondContact O-N 3.16Å; F22-T26 PolarHBondContact O-OG1 2.85Å |
| 23 | L | 58 | Low | 61.4 | Low | 29 Ų | 29 | 108.8 Ų | 108.8 | 15% | 0.152 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -69.9 | -33.7 | 177.9 | -149.1 | 74.4 | 0 | 0 | 0 | 112 | Q19 L20 W21 L25 T26 C27 L32 | Q19-L23 WeakPolarHBondContact O-CB 3.15Å; Q19-L23 PolarHBondContact O-N 2.95Å; L20-L23 PolarHBondContact O-N 3.41Å; W21-L23 VanDerWaalsContact C-N 3.32Å; W21-L23 PolarHBondContact O-N 3.48Å; L23-L25 VanDerWaalsContact C-N 3.25Å; L23-L25 PolarHBondContact O-N 3.49Å; L23-T26 PolarHBondContact O-N 2.99Å; L23-C27 HydrophobicContact CG-CB 4.13Å; L23-C27 WeakPolarHBondContact O-CB 3.36Å; L23-C27 PolarHBondContact O-N 3.27Å; L23-L32 HydrophobicContact CB-CD1 4.19Å; L23-L32 HydrophobicContact CD2-CD1 4.32Å |
| 24 | G | 58 | Low | 62.3 | Low | 47 Ų | 47 | 111.1 Ų | 111.1 | 49% | 0.485 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -25.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L20 W21 | L20-G24 PolarHBondContact O-N 2.94Å; L20-G24 VanDerWaalsContact O-N 3.13Å; W21-G24 PolarHBondContact O-N 3.22Å |
| 25 | L | 60.7 | Low | 63.1 | Low | 148 Ų | 148 | 112.1 Ų | 112.1 | 78% | 0.775 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -87.4 | -15.3 | 180 | -64.8 | 171.2 | 0 | 0 | 0 | 113.5 | F22 L23 | F22-L25 PolarHBondContact O-N 3.16Å; L23-L25 VanDerWaalsContact C-N 3.25Å; L23-L25 PolarHBondContact O-N 3.49Å |
| 26 | T | 59.5 | Low | 63.8 | Low | 101 Ų | 101 | 112.5 Ų | 112.5 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -131.4 | -12.6 | -166.5 | 56.2 | 0 | 0 | 0 | 0 | 115.2 | F22 L23 | F22-T26 PolarHBondContact O-OG1 2.85Å; L23-T26 PolarHBondContact O-N 2.99Å |
| 27 | C | 59.2 | Low | 64.4 | Low | 42 Ų | 42 | 111.1 Ų | 111.1 | 28% | 0.284 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -113 | 144.6 | -178.8 | -98.5 | 0 | 0 | 0 | 0 | 112.5 | L23 E29 H31 | L23-C27 HydrophobicContact CG-CB 4.13Å; L23-C27 WeakPolarHBondContact O-CB 3.36Å; L23-C27 PolarHBondContact O-N 3.27Å; C27-E29 PolarHBondContact O-N 3.09Å; C27-H31 HydrophobicContact CB-CB 4.36Å |
| 28 | P | 64 | Low | 64.8 | Low | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | | | trans | -61.7 | 136.8 | 172.2 | 26.5 | -32.7 | 0 | 0 | 0 | 109.5 | R30 H31 | P28-R30 PolarHBondContact O-N 3.15Å; P28-H31 PolarHBondContact O-N 3.36Å |
| 29 | E | 71.6 | Confident | 65.3 | Low | 171 Ų | 171 | 105.3 Ų | 105.3 | 80% | 0.799 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -46.7 | -31.1 | -173.2 | -81.3 | 164.6 | 126 | 0 | 0 | 114.5 | C27 H31 L32 A33 | C27-E29 PolarHBondContact O-N 3.09Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 3.37Å; E29-L32 PolarHBondContact O-N 3.37Å; E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 2.88Å |
| 30 | R | 68.3 | Low | 65.3 | Low | 208 Ų | 208 | 106.3 Ų | 106.3 | 79% | 0.785 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.3 | -27.1 | 175.9 | -69.4 | -172.5 | -171.4 | -174.9 | 3.8 | 114.3 | P28 R34 | P28-R30 PolarHBondContact O-N 3.15Å; R30-R34 WeakPolarHBondContact O-CG 3.49Å; R30-R34 PolarHBondContact O-NE 3.4Å |
| 31 | H | 73.5 | Confident | 65.4 | Low | 71 Ų | 71 | 110.6 Ų | 110.6 | 33% | 0.329 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -81.1 | -39.9 | 176.1 | -170.4 | 74.1 | 0 | 0 | 0 | 111 | C27 P28 E29 R34 R35 | C27-H31 HydrophobicContact CB-CB 4.36Å; P28-H31 PolarHBondContact O-N 3.36Å; E29-H31 VanDerWaalsContact C-N 3.27Å; E29-H31 PolarHBondContact O-N 3.37Å; H31-R34 PolarHBondContact O-N 3Å; H31-R35 PolarHBondContact O-N 3.13Å; H31-R35 VanDerWaalsContact O-N 3.15Å |
| 32 | L | 73.3 | Confident | 65.2 | Low | 43 Ų | 43 | 107.6 Ų | 107.6 | 23% | 0.225 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 174.9 | -165.5 | 92.8 | 0 | 0 | 0 | 111.2 | L23 E29 R34 R35 L36 | L23-L32 HydrophobicContact CB-CD1 4.19Å; L23-L32 HydrophobicContact CD2-CD1 4.32Å; E29-L32 PolarHBondContact O-N 3.37Å; L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.03Å; L32-R35 PolarHBondContact O-N 3.35Å; L32-R35 VanDerWaalsContact O-N 3.09Å; L32-L36 HydrophobicContact CD2-CD1 3.82Å; L32-L36 HydrophobicContact CG-CD1 3.91Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 PolarHBondContact O-N 3.42Å |
| 33 | A | 70.6 | Confident | 65.1 | Low | 59 Ų | 59 | 105.7 Ų | 105.7 | 49% | 0.488 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59 | -38.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E29 K37 | E29-A33 WeakPolarHBondContact O-CB 3.49Å; E29-A33 PolarHBondContact O-N 2.88Å; A33-K37 VanDerWaalsContact O-CB 3.28Å; A33-K37 WeakPolarHBondContact O-CB 3.38Å; A33-K37 PolarHBondContact O-N 3.43Å |
| 34 | R | 72.3 | Confident | 65 | Low | 159 Ų | 159 | 110.2 Ų | 110.2 | 60% | 0.6 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.7 | -34.5 | 176.1 | -80.1 | -175.9 | -79.2 | 171 | -6.3 | 113 | R30 H31 L32 N38 | R30-R34 WeakPolarHBondContact O-CG 3.49Å; R30-R34 PolarHBondContact O-NE 3.4Å; H31-R34 PolarHBondContact O-N 3Å; L32-R34 VanDerWaalsContact C-N 3.28Å; L32-R34 PolarHBondContact O-N 3.03Å; R34-N38 PolarHBondContact O-ND2 3.4Å |
| 35 | R | 70.8 | Confident | 65.1 | Low | 125 Ų | 125 | 113.6 Ų | 113.6 | 47% | 0.472 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.4 | -36.1 | 176.7 | -66.6 | -169 | 89.7 | -175.7 | 5.4 | 112.5 | H31 L32 N38 N39 | H31-R35 PolarHBondContact O-N 3.13Å; H31-R35 VanDerWaalsContact O-N 3.15Å; L32-R35 PolarHBondContact O-N 3.35Å; L32-R35 VanDerWaalsContact O-N 3.09Å; R35-N38 PolarHBondContact O-N 3.06Å; R35-N39 PolarHBondContact O-N 3.22Å |
| 36 | L | 72.5 | Confident | 65.1 | Low | 31 Ų | 31 | 114.5 Ų | 114.5 | 16% | 0.162 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -64.4 | -42.4 | 173.9 | -84.2 | 162.7 | 0 | 0 | 0 | 112 | L20 L32 N38 N39 Y42 F44 | L20-L36 HydrophobicContact CD2-CD2 4.07Å; L32-L36 HydrophobicContact CD2-CD1 3.82Å; L32-L36 HydrophobicContact CG-CD1 3.91Å; L32-L36 WeakPolarHBondContact O-CB 3.28Å; L32-L36 PolarHBondContact O-N 3.42Å; L36-N38 PolarHBondContact O-N 3.47Å; L36-N39 WeakPolarHBondContact O-CB 3.42Å; L36-N39 PolarHBondContact O-N 3.39Å; L36-Y42 HydrophobicContact CD2-CD2 4.23Å; L36-F44 HydrophobicContact CB-CE2 3.8Å; L36-F44 HydrophobicContact CB-CZ 3.87Å; L36-F44 HydrophobicContact CD2-CE2 4.41Å; L36-F44 HydrophobicContact CD2-CZ 4.21Å; L36-F44 HydrophobicContact CG-CZ 4.43Å |
| 37 | K | 69.5 | Low | 65.1 | Low | 163 Ų | 163 | 118.1 Ų | 118.1 | 71% | 0.709 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.6 | -26.5 | 177.6 | -175.7 | 173 | 173.1 | 175.3 | 0 | 114 | A33 | A33-K37 VanDerWaalsContact O-CB 3.28Å; A33-K37 WeakPolarHBondContact O-CB 3.38Å; A33-K37 PolarHBondContact O-N 3.43Å |
| 38 | N | 65.4 | Low | 65 | Low | 143 Ų | 143 | 124.1 Ų | 124.1 | 77% | 0.765 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 1.4 | 178.4 | -69.4 | -53.2 | 0 | 0 | 0 | 113.2 | R34 R35 L36 | R34-N38 PolarHBondContact O-ND2 3.4Å; R35-N38 PolarHBondContact O-N 3.06Å; L36-N38 PolarHBondContact O-N 3.47Å |
| 39 | N | 67.6 | Low | 64.5 | Low | 58 Ų | 58 | 125.3 Ų | 125.3 | 31% | 0.31 | 61% | 0.614 | S | S | . | * | | | trans | -92.8 | 112.5 | 179.4 | -135.8 | -43.3 | 0 | 0 | 0 | 108.7 | R35 L36 F41 Y42 | R35-N39 PolarHBondContact O-N 3.22Å; L36-N39 WeakPolarHBondContact O-CB 3.42Å; L36-N39 PolarHBondContact O-N 3.39Å; N39-F41 PolarHBondContact O-N 3.24Å; N39-Y42 PolarHBondContact O-N 3.36Å |
| 40 | S | 61.8 | Low | 63.7 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 89% | 0.888 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -7.7 | 179.1 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 41 | F | 63.5 | Low | 63 | Low | 152 Ų | 152 | 118.5 Ų | 118.5 | 67% | 0.667 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -15.3 | 179.9 | -163.1 | -100 | 0 | 0 | 0 | 113.9 | N39 | N39-F41 PolarHBondContact O-N 3.24Š|
| 42 | Y | 52.3 | Low | 61.8 | Low | 132 Ų | 132 | 119.1 Ų | 119.1 | 52% | 0.518 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -120.3 | 102.1 | 175.6 | -82.4 | -84.1 | 0 | 0 | 0 | 110.1 | L36 N39 F44 | L36-Y42 HydrophobicContact CD2-CD2 4.23Å; N39-Y42 PolarHBondContact O-N 3.36Å; Y42-F44 VanDerWaalsContact CB-CE2 3.49Å; Y42-F44 HydrophobicContact CG-CE2 4.37Å; Y42-F44 WeakPolarHBondContact O-CD2 3.46Å; Y42-F44 PolarHBondContact O-N 2.88Å |
| 43 | P | 54.6 | Low | 60.9 | Low | 112 Ų | 112 | 126.6 Ų | 126.6 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | | | trans | -70.5 | 89.1 | 169.5 | 29.8 | -31.2 | 0 | 0 | 0 | 107.6 | V45 | P43-V45 PolarHBondContact O-N 2.91Š|
| 44 | F | 56.7 | Low | 60 | Low | 125 Ų | 125 | 127.5 Ų | 127.5 | 55% | 0.548 | 68% | 0.675 | S | S | . | * | | | trans | -68.2 | 90.9 | 164.5 | -69.1 | -82.9 | 0 | 0 | 0 | 107 | L36 Y42 Q46 | L36-F44 HydrophobicContact CB-CE2 3.8Å; L36-F44 HydrophobicContact CB-CZ 3.87Å; L36-F44 HydrophobicContact CD2-CE2 4.41Å; L36-F44 HydrophobicContact CD2-CZ 4.21Å; L36-F44 HydrophobicContact CG-CZ 4.43Å; Y42-F44 VanDerWaalsContact CB-CE2 3.49Å; Y42-F44 HydrophobicContact CG-CE2 4.37Å; Y42-F44 WeakPolarHBondContact O-CD2 3.46Å; Y42-F44 PolarHBondContact O-N 2.88Å; F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 2.97Å |
| 45 | V | 59 | Low | 58.8 | Low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | | | trans | -69.7 | 98.4 | 164.5 | -174.7 | 0 | 0 | 0 | 0 | 105.2 | P43 Q47 | P43-V45 PolarHBondContact O-N 2.91Å; V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 2.81Å |
| 46 | Q | 60.4 | Low | 57.9 | Low | 167 Ų | 167 | 132.1 Ų | 132.1 | 78% | 0.78 | 70% | 0.704 | S | S | * | * | | | trans | -62.8 | 96.8 | 169.1 | -170 | 157.8 | -2.7 | 0 | 0 | 105.9 | F44 E48 | F44-Q46 VanDerWaalsContact C-N 3.3Å; F44-Q46 PolarHBondContact O-N 2.97Å; Q46-E48 PolarHBondContact O-N 3.28Å |
| 47 | Q | 59.6 | Low | 57 | Low | 177 Ų | 177 | 138 Ų | 138 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | | | trans | -61.9 | 105.4 | 172 | -73.4 | -176.6 | 22.1 | 0 | 0 | 105.9 | V45 | V45-Q47 VanDerWaalsContact C-N 3.26Å; V45-Q47 PolarHBondContact O-N 2.81Å |
| 48 | E | 58.3 | Low | 56.1 | Low | 167 Ų | 167 | 134 Ų | 134 | 78% | 0.78 | 74% | 0.74 | S | S | * | * | | | trans | -56.1 | 134 | 164.1 | -72.3 | -127.5 | 119.4 | 0 | 0 | 106.9 | Q46 N50 | Q46-E48 PolarHBondContact O-N 3.28Å; E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 PolarHBondContact O-N 2.88Å |
| 49 | P | 53.1 | Low | 55.5 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 81% | 0.805 | 74% | 0.743 | S | S | * | * | | | trans | -62.7 | 99 | 172.6 | 26.1 | -31.2 | 0 | 0 | 0 | 106.6 | G51 | P49-G51 PolarHBondContact O-N 3.45Š|
| 50 | N | 54.5 | Low | 54.5 | Low | 161 Ų | 161 | 137.8 Ų | 137.8 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | | | trans | -73.7 | 66 | 171 | -160.6 | 24.9 | 0 | 0 | 0 | 107.9 | E48 | E48-N50 VanDerWaalsContact C-N 3.27Å; E48-N50 PolarHBondContact O-N 2.88Å |
| 51 | G | 54 | Low | 53.7 | Low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -105.3 | 64.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | P49 | P49-G51 PolarHBondContact O-N 3.45Š|
| 52 | A | 48.5 | Very low | 53 | Low | 83 Ų | 83 | 142.6 Ų | 142.6 | 69% | 0.686 | 77% | 0.773 | S | S | * | * | | | trans | -127.6 | 49.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A54 | A52-A54 PolarHBondContact O-N 3.31Š|
| 53 | E | 53.8 | Low | 52.8 | Low | 200 Ų | 200 | 147.9 Ų | 147.9 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | -80.5 | 79.5 | 147.7 | -89 | -95.7 | 130.1 | 0 | 0 | 106.9 | | |
| 54 | A | 52.9 | Low | 52.5 | Low | 78 Ų | 78 | 154.4 Ų | 154.4 | 65% | 0.645 | 80% | 0.803 | S | S | * | * | | | trans | -176.2 | 122.6 | 151.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | A52 | A52-A54 PolarHBondContact O-N 3.31Š|
| 55 | R | 45.8 | Very low | 51.7 | Low | 232 Ų | 232 | 152 Ų | 152 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | 85.5 | 75.3 | 173.4 | -45.7 | -167.2 | 177.5 | -152.5 | -5.9 | 111 | | |
| 56 | D | 52.9 | Low | 51.2 | Low | 150 Ų | 150 | 158.5 Ų | 158.5 | 80% | 0.802 | 82% | 0.824 | S | S | * | * | | | | 35.6 | 123.2 | 70.9 | -157.1 | 17.4 | 0 | 0 | 0 | 111.9 | | |
| 57 | L | 52 | Low | 50.4 | Low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | trans | 85 | 86.7 | -166.8 | -46.4 | 179.8 | 0 | 0 | 0 | 114.8 | L59 | L57-L59 PolarHBondContact O-N 2.98Š|
| 58 | G | 51.6 | Low | 49.7 | Very low | 79 Ų | 79 | 151.4 Ų | 151.4 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | | | trans | -58.7 | 119 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 59 | L | 53.1 | Low | 49.2 | Very low | 161 Ų | 161 | 150.3 Ų | 150.3 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | | | trans | -146.5 | 132.6 | 157.5 | -73.8 | 179 | 0 | 0 | 0 | 109.8 | L57 R61 | L57-L59 PolarHBondContact O-N 2.98Å; L59-R61 PolarHBondContact O-N 2.91Å |
| 60 | P | 46 | Very low | 48.8 | Very low | 119 Ų | 119 | 148.4 Ų | 148.4 | 77% | 0.773 | 82% | 0.818 | S | S | * | * | | | trans | -71.1 | 121.6 | 177.8 | 27.8 | -31.6 | 0 | 0 | 0 | 110.6 | V62 | P60-V62 PolarHBondContact O-N 3.25Š|
| 61 | R | 45.3 | Very low | 48.3 | Very low | 252 Ų | 252 | 151.7 Ų | 151.7 | 95% | 0.951 | 82% | 0.818 | S | S | * | * | | | trans | -74 | 93.6 | 177.7 | -149.3 | 175.8 | -174 | 168.8 | 1.8 | 109.5 | L59 R63 | L59-R61 PolarHBondContact O-N 2.91Å; R61-R63 PolarHBondContact O-N 3.2Å |
| 62 | V | 48.1 | Very low | 47.7 | Very low | 127 Ų | 127 | 154.7 Ų | 154.7 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | | | trans | -57.7 | 123.4 | 169.6 | 174.3 | 0 | 0 | 0 | 0 | 109 | P60 R64 | P60-V62 PolarHBondContact O-N 3.25Å; V62-R64 PolarHBondContact O-N 2.88Å; V62-R64 VanDerWaalsContact O-N 3.08Å |
| 63 | R | 49.8 | Very low | 47.7 | Very low | 243 Ų | 243 | 158.4 Ų | 158.4 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | | | trans | -58.4 | 109.5 | 173 | -76.5 | -175.6 | 167.3 | -155.9 | -2.4 | 109.5 | R61 G65 | R61-R63 PolarHBondContact O-N 3.2Å; R63-G65 PolarHBondContact O-N 3.06Å; R63-G65 VanDerWaalsContact O-N 3.14Å |
| 64 | R | 46.9 | Very low | 47.2 | Very low | 250 Ų | 250 | 155.7 Ų | 155.7 | 94% | 0.943 | 82% | 0.821 | S | S | * | * | | | trans | -67.9 | 107.3 | 165.2 | -92.7 | -174.9 | 175.5 | 177.1 | -1 | 108.9 | V62 | V62-R64 PolarHBondContact O-N 2.88Å; V62-R64 VanDerWaalsContact O-N 3.08Å |
| 65 | G | 40.2 | Very low | 46.6 | Very low | 73 Ų | 73 | 156.6 Ų | 156.6 | 75% | 0.753 | 83% | 0.829 | S | S | * | * | | | trans | -59.1 | 135.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | R63 G67 | R63-G65 PolarHBondContact O-N 3.06Å; R63-G65 VanDerWaalsContact O-N 3.14Å; G65-G67 PolarHBondContact O-N 2.85Å |
| 66 | R | 48.5 | Very low | 46.4 | Very low | 255 Ų | 255 | 150.3 Ų | 150.3 | 96% | 0.962 | 83% | 0.826 | S | S | * | * | | | trans | -69.2 | 106.1 | 172.3 | -168.1 | 179.8 | -167.7 | -172.8 | 3.2 | 108 | | |
| 67 | G | 43.5 | Very low | 45.8 | Very low | 61 Ų | 61 | 148.1 Ų | 148.1 | 63% | 0.629 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 156.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G65 | G65-G67 PolarHBondContact O-N 2.85Š|
| 68 | P | 45.4 | Very low | 45.6 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 156 | 166.2 | 33.5 | -30.6 | 0 | 0 | 0 | 112.1 | | |
| 69 | V | 47.8 | Very low | 45.7 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73 | 151.5 | -164.6 | 176.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 70 | A | 44.6 | Very low | 45.5 | Very low | 83 Ų | 83 | 146 Ų | 146 | 69% | 0.686 | 83% | 0.827 | S | S | * | * | | | trans | -39 | 147.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 71 | R | 44.3 | Very low | 45.5 | Very low | 230 Ų | 230 | 144.1 Ų | 144.1 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -142 | 108.8 | 137.7 | -70.3 | -168.2 | 122.5 | 146 | -1.4 | 110.4 | | |
| 72 | D | 41 | Very low | 45.2 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 74% | 0.738 | 83% | 0.826 | S | S | * | * | | | trans | 58 | 128.4 | 133.2 | -55.2 | -36.6 | 0 | 0 | 0 | 122.6 | | |
| 73 | L | 48.3 | Very low | 45 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | -55.8 | 143.9 | 169 | -67.3 | 81.2 | 0 | 0 | 0 | 112.3 | | |
| 74 | V | 42.4 | Very low | 45.3 | Very low | 143 Ų | 143 | 132.5 Ų | 132.5 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | | -149.9 | 114.7 | 121 | 169.7 | 0 | 0 | 0 | 0 | 107.8 | | |
| 75 | A | 41.1 | Very low | 45.1 | Very low | 98 Ų | 98 | 129.6 Ų | 129.6 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -79.6 | 115.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 76 | A | 40.8 | Very low | 45.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -85.9 | 118.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 77 | A | 41.3 | Very low | 45 | Very low | 105 Ų | 105 | 128.2 Ų | 128.2 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | | | trans | -65.3 | 137.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 78 | A | 47 | Very low | 44.7 | Very low | 92 Ų | 92 | 135.8 Ų | 135.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | | | trans | -142.5 | 128 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 79 | P | 55 | Low | 44.7 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -81.2 | 155.7 | 177.8 | 32 | -33.1 | 0 | 0 | 0 | 112.3 | | |
| 80 | P | 48.2 | Very low | 44.9 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -90.3 | 139.1 | -179.1 | 35.2 | -30.3 | 0 | 0 | 0 | 111.3 | | |
| 81 | G | 46.7 | Very low | 45 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | 149.9 | 93.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 82 | A | 38.8 | Very low | 44.9 | Very low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 80% | 0.804 | S | S | * | * | | | trans | -172.6 | 117.3 | 141 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 83 | E | 42.9 | Very low | 45.1 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | | | trans | -72.5 | 176.6 | 174.3 | -94.7 | -77.7 | 115.5 | 0 | 0 | 112.3 | | |
| 84 | P | 57.5 | Low | 45.4 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 59% | 0.591 | 80% | 0.804 | S | S | * | * | | | trans | -101.8 | 152.4 | -142.3 | 38.6 | -37.1 | 0 | 0 | 0 | 114.7 | | |
| 85 | H | 41.1 | Very low | 45.3 | Very low | 189 Ų | 189 | 129.8 Ų | 129.8 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -137.3 | 105.3 | 164 | -84.8 | -53.9 | 0 | 0 | 0 | 112.5 | | |
| 86 | A | 41.5 | Very low | 45.9 | Very low | 82 Ų | 82 | 131.3 Ų | 131.3 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | | | | 29.4 | 132.7 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 87 | R | 45.2 | Very low | 46.2 | Very low | 216 Ų | 216 | 135.1 Ų | 135.1 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | 98.6 | 119.3 | 139.1 | -77.8 | 173.8 | 179.8 | -163.2 | 1.6 | 120.1 | | |
| 88 | R | 37.8 | Very low | 46.2 | Very low | 220 Ų | 220 | 141.6 Ų | 141.6 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | | | | 97.4 | 118.4 | 129.5 | -77.2 | 179 | 174.9 | -165.7 | -1.9 | 119.3 | | |
| 89 | V | 46.6 | Very low | 46.3 | Very low | 128 Ų | 128 | 144.1 Ų | 144.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | | | trans | -56 | 162.7 | 159.3 | -143.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 90 | P | 50.6 | Low | 46 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | | -147.3 | 162.4 | 78.2 | 33.3 | -11.8 | 0 | 0 | 0 | 117.3 | | |
| 91 | L | 47.2 | Very low | 45.6 | Very low | 142 Ų | 142 | 140.8 Ų | 140.8 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -35.1 | 141.7 | 162.1 | -88.7 | 106.2 | 0 | 0 | 0 | 115.7 | | |
| 92 | L | 41.5 | Very low | 46.4 | Very low | 167 Ų | 167 | 142.6 Ų | 142.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -158.8 | 113.6 | 138.4 | -99.5 | 130.6 | 0 | 0 | 0 | 110.4 | | |
| 93 | H | 46.8 | Very low | 46.4 | Very low | 170 Ų | 170 | 145.9 Ų | 145.9 | 79% | 0.787 | 79% | 0.792 | S | S | * | * | | | trans | -88.6 | 152.7 | 153.7 | -85.4 | 62 | 0 | 0 | 0 | 107.2 | | |
| 94 | P | 53.4 | Low | 46.2 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | | -147 | 161.2 | 80 | 31.5 | -9.6 | 0 | 0 | 0 | 115.8 | | |
| 95 | G | 39.6 | Very low | 45.6 | Very low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 80% | 0.8 | S | S | * | * | | | trans | -67.5 | -172.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 96 | P | 54.7 | Low | 45.6 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 80% | 0.795 | S | S | * | * | | | | -143.6 | 159.4 | 82.9 | 35.6 | -18.2 | 0 | 0 | 0 | 115.9 | | |
| 97 | H | 46.8 | Very low | 45.8 | Very low | 180 Ų | 180 | 142.4 Ų | 142.4 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | | | trans | -73.2 | 140 | 175.6 | -45.1 | -84.5 | 0 | 0 | 0 | 111.7 | | |
| 98 | R | 40.7 | Very low | 45.6 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -179.3 | 108.4 | 144 | -106.4 | 176.8 | -177.6 | -178.9 | 2 | 110.9 | | |
| 99 | V | 50.3 | Low | 45.9 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | | | trans | -141.4 | 114.9 | 144.7 | -171.5 | 0 | 0 | 0 | 0 | 107.9 | | |
| 100 | P | 49.3 | Very low | 46 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | trans | -93.8 | 124.7 | 168.9 | 31.9 | -24.2 | 0 | 0 | 0 | 111.2 | | |
| 101 | G | 38.4 | Very low | 45.2 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | | | | 87 | 152.4 | 126.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 102 | P | 64 | Low | 45 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | | | trans | -102.2 | -169.9 | -169.4 | 40.3 | -28.2 | 0 | 0 | 0 | 112.9 | | |
| 103 | L | 38.8 | Very low | 45.3 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | | | trans | 102.3 | 140 | 178.2 | -57.6 | 167.7 | 0 | 0 | 0 | 112.2 | | |
| 104 | A | 38.3 | Very low | 45.6 | Very low | 88 Ų | 88 | 133.3 Ų | 133.3 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | cis | -163.6 | 165.9 | 8.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 105 | S | 45.8 | Very low | 45.3 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 90% | 0.895 | 82% | 0.816 | S | S | * | * | | | trans | -37.7 | 136.2 | 160.9 | -48.3 | 0 | 0 | 0 | 0 | 114.6 | | |
| 106 | G | 39.9 | Very low | 45.4 | Very low | 74 Ų | 74 | 141.6 Ų | 141.6 | 76% | 0.763 | 83% | 0.828 | S | S | * | * | | | trans | -144.6 | 89.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R108 | G106-R108 PolarHBondContact O-N 3.2Š|
| 107 | L | 47.3 | Very low | 45.2 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 96% | 0.958 | 82% | 0.822 | S | S | * | * | | | trans | -51.8 | 124.3 | 160.8 | -86.9 | 151.3 | 0 | 0 | 0 | 110.2 | | |
| 108 | R | 39.8 | Very low | 45.3 | Very low | 249 Ų | 249 | 143.6 Ų | 143.6 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | | | trans | -146.8 | 90.2 | 161 | -144.4 | 178.8 | -156.7 | -110.9 | 4.1 | 111.1 | G106 | G106-R108 PolarHBondContact O-N 3.2Š|
| 109 | A | 44.9 | Very low | 45.7 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 72% | 0.719 | 82% | 0.822 | S | S | * | * | | | trans | -90.9 | 160.6 | 140.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 110 | P | 48.6 | Very low | 45.6 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | | | cis | -144.5 | 170.5 | 34.6 | 38.3 | -17.4 | 0 | 0 | 0 | 115.6 | | |
| 111 | G | 34.3 | Very low | 45.7 | Very low | 71 Ų | 71 | 142.3 Ų | 142.3 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | | | trans | 150 | 118.3 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 112 | A | 41.2 | Very low | 46.7 | Very low | 97 Ų | 97 | 146 Ų | 146 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | | | trans | 69.5 | 125.5 | 143.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 113 | Q | 48.8 | Very low | 46.4 | Very low | 163 Ų | 163 | 145.7 Ų | 145.7 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | | | cis | -159.8 | 146.1 | 11.4 | -75.9 | -131.4 | 34.7 | 0 | 0 | 109.8 | R115 | Q113-R115 PolarHBondContact O-N 2.94Š|
| 114 | L | 52.1 | Low | 47.1 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | | | trans | -57 | 113.4 | 162.5 | -66.7 | 155.7 | 0 | 0 | 0 | 110.7 | | |
| 115 | R | 47.8 | Very low | 47.7 | Very low | 227 Ų | 227 | 142.1 Ų | 142.1 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | | | trans | -148.8 | 82.6 | 155.5 | -72 | -159.8 | -178.5 | -158.4 | 0.8 | 112.4 | Q113 | Q113-R115 PolarHBondContact O-N 2.94Š|
| 116 | C | 42.4 | Very low | 48.1 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | | | trans | -122.1 | 146.7 | 142.8 | -73.1 | 0 | 0 | 0 | 0 | 106.1 | | |
| 117 | P | 48.9 | Very low | 48.6 | Very low | 108 Ų | 108 | 150.5 Ų | 150.5 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | cis | -130.7 | 145.1 | 21.1 | 36.1 | -18.3 | 0 | 0 | 0 | 114.1 | K119 | P117-K119 PolarHBondContact O-N 2.91Š|
| 118 | R | 48.8 | Very low | 49 | Very low | 244 Ų | 244 | 152.9 Ų | 152.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | | | trans | -70.9 | 103.2 | 159 | -108.1 | 179.4 | 170.1 | 173.3 | -3.1 | 107.5 | V120 | R118-V120 PolarHBondContact O-N 3.01Š|
| 119 | K | 50 | Low | 49.5 | Very low | 191 Ų | 191 | 147 Ų | 147 | 83% | 0.83 | 81% | 0.807 | S | S | * | * | | | trans | -54.4 | 102.2 | 162.5 | -74.7 | 172.7 | 175.4 | 175.4 | 0 | 107.9 | P117 L121 | P117-K119 PolarHBondContact O-N 2.91Å; K119-L121 PolarHBondContact O-N 3.27Å |
| 120 | V | 47.9 | Very low | 49.8 | Very low | 125 Ų | 125 | 152 Ų | 152 | 76% | 0.758 | 82% | 0.815 | S | S | * | * | | | trans | -71.2 | 110.3 | 163.5 | 176.9 | 0 | 0 | 0 | 0 | 105.8 | R118 L122 | R118-V120 PolarHBondContact O-N 3.01Å; V120-L122 PolarHBondContact O-N 2.88Å |
| 121 | L | 51.8 | Low | 49.9 | Very low | 161 Ų | 161 | 152.9 Ų | 152.9 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -60.9 | 105.3 | 172.7 | -137.5 | 78.2 | 0 | 0 | 0 | 107.4 | K119 | K119-L121 PolarHBondContact O-N 3.27Š|
| 122 | L | 59.3 | Low | 50.3 | Low | 148 Ų | 148 | 152.9 Ų | 152.9 | 78% | 0.775 | 82% | 0.818 | S | S | * | * | | | trans | -68.8 | 142.1 | 164.6 | -78.9 | 100.2 | 0 | 0 | 0 | 108.7 | V120 | V120-L122 PolarHBondContact O-N 2.88Š|
| 123 | P | 58.3 | Low | 50.3 | Low | 111 Ų | 111 | 153 Ų | 153 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | | | trans | -63.8 | 145.2 | 172.5 | 27.2 | -32.7 | 0 | 0 | 0 | 110.2 | G125 | P123-G125 PolarHBondContact O-N 3.42Å; P123-G125 VanDerWaalsContact O-N 3.09Å |
| 124 | P | 52 | Low | 50.4 | Low | 131 Ų | 131 | 151.8 Ų | 151.8 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | | | trans | -64.1 | 115.5 | 178.8 | 25.8 | -31.6 | 0 | 0 | 0 | 109.6 | | |
| 125 | G | 51.5 | Low | 49.8 | Very low | 55 Ų | 55 | 147.2 Ų | 147.2 | 57% | 0.567 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63 | 162.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | P123 R127 | P123-G125 PolarHBondContact O-N 3.42Å; P123-G125 VanDerWaalsContact O-N 3.09Å; G125-R127 PolarHBondContact O-N 3.14Å |
| 126 | P | 54.3 | Low | 49.7 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 121.3 | -176.5 | 25.2 | -31.5 | 0 | 0 | 0 | 110.4 | R128 | P126-R128 PolarHBondContact O-N 2.86Š|
| 127 | R | 49.9 | Very low | 49.5 | Very low | 243 Ų | 243 | 139.2 Ų | 139.2 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 123.1 | 176.4 | -76.1 | 179.5 | 167.6 | 176.5 | -4.1 | 110.1 | G125 | G125-R127 PolarHBondContact O-N 3.14Š|
| 128 | R | 55.6 | Low | 49.3 | Very low | 233 Ų | 233 | 139 Ų | 139 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 135.6 | 160.2 | -99.7 | -177.3 | 173.6 | -168.2 | -1.8 | 109.4 | P126 Q130 | P126-R128 PolarHBondContact O-N 2.86Å; R128-Q130 PolarHBondContact O-N 2.93Å |
| 129 | P | 52.1 | Low | 49.1 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 125.7 | 159 | -13.2 | 27.6 | 0 | 0 | 0 | 108.7 | | |
| 130 | Q | 50.3 | Low | 48.9 | Very low | 194 Ų | 194 | 130 Ų | 130 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 133.9 | 169.8 | -69.5 | -165.1 | 39.5 | 0 | 0 | 109.5 | R128 | R128-Q130 PolarHBondContact O-N 2.93Š|
| 131 | V | 49.8 | Very low | 48.6 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70 | 124 | 162.7 | 165.2 | 0 | 0 | 0 | 0 | 107.4 | | |
| 132 | G | 42.6 | Very low | 48.2 | Very low | 71 Ų | 71 | 123.8 Ų | 123.8 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | 176.8 | 105.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 133 | A | 41.4 | Very low | 47.4 | Very low | 99 Ų | 99 | 124.2 Ų | 124.2 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | 110.8 | 122.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 134 | P | 51.4 | Low | 46.6 | Very low | 137 Ų | 137 | 128.5 Ų | 128.5 | 89% | 0.89 | 82% | 0.821 | S | S | * | * | | | trans | -84 | 117.7 | 176.4 | 33.7 | -28.4 | 0 | 0 | 0 | 109.8 | | |
| 135 | G | 39.8 | Very low | 46.4 | Very low | 76 Ų | 76 | 126.7 Ų | 126.7 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | -102.5 | 114.7 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 136 | A | 44.5 | Very low | 46.3 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 93% | 0.934 | 83% | 0.825 | S | S | * | * | | | trans | -55.8 | 140 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 137 | G | 39.2 | Very low | 45.7 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | | | trans | -172.6 | 82.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 138 | A | 44.3 | Very low | 45.6 | Very low | 104 Ų | 104 | 124.3 Ų | 124.3 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -59.2 | 135.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 139 | A | 45.8 | Very low | 44.9 | Very low | 101 Ų | 101 | 121.3 Ų | 121.3 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | | | trans | -146.1 | 112.3 | 149.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 140 | V | 44.2 | Very low | 44.2 | Very low | 145 Ų | 145 | 118.8 Ų | 118.8 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -59.5 | 136.1 | 173 | 173.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 141 | G | 42.8 | Very low | 44.2 | Very low | 79 Ų | 79 | 115.3 Ų | 115.3 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | -162.7 | 75.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 142 | A | 43.4 | Very low | 44.1 | Very low | 77 Ų | 77 | 116.5 Ų | 116.5 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | | | trans | -78.7 | 162.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 143 | L | 41.8 | Very low | 44 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | 72.5 | 130.1 | 166.5 | -86.6 | 78.2 | 0 | 0 | 0 | 115.7 | | |
| 144 | R | 41.2 | Very low | 44.5 | Very low | 202 Ų | 202 | 126.8 Ų | 126.8 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | | | cis | -145.4 | 138.8 | 28.7 | -72.6 | -174.8 | 166.6 | -117 | 1.3 | 112.4 | | |
| 145 | A | 47.4 | Very low | 44.3 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -70.1 | 137.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 146 | N | 50.1 | Low | 44.4 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -159.1 | 98.5 | 153.3 | -89.8 | -26.5 | 0 | 0 | 0 | 106 | | |
| 147 | G | 42.2 | Very low | 44.6 | Very low | 72 Ų | 72 | 128.2 Ų | 128.2 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -72.1 | 153.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 148 | I | 47.4 | Very low | 45.1 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -141.8 | 131.6 | 146 | -65.5 | -166.2 | 0 | 0 | 0 | 107.4 | | |
| 149 | L | 41.1 | Very low | 45 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | | | trans | -62.1 | 141.5 | 174.3 | -78.3 | 98.4 | 0 | 0 | 0 | 113.2 | | |
| 150 | G | 38.1 | Very low | 45.1 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | | | | 94.1 | 173 | 128.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 151 | P | 48.6 | Very low | 45 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -125.6 | 160.8 | -25.6 | 35.2 | -19.1 | 0 | 0 | 0 | 113.4 | H153 | P151-H153 PolarHBondContact O-N 3.49Š|
| 152 | L | 47.8 | Very low | 45.2 | Very low | 174 Ų | 174 | 142.7 Ų | 142.7 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | | | trans | -9.5 | 110.9 | 149.3 | -162.8 | 75 | 0 | 0 | 0 | 115.6 | | |
| 153 | H | 42.1 | Very low | 45.2 | Very low | 164 Ų | 164 | 149.5 Ų | 149.5 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -136.1 | 94.8 | 157.9 | -161.1 | -0.3 | 0 | 0 | 0 | 110.2 | P151 P155 | P151-H153 PolarHBondContact O-N 3.49Å; H153-P155 VanDerWaalsContact CE1-CG 3.48Å; H153-P155 WeakPolarHBondContact CE1-CG 3.47Å; H153-P155 WeakPolarHBondContact ND1-CD 3.37Å |
| 154 | R | 50.5 | Low | 45.5 | Very low | 223 Ų | 223 | 149.6 Ų | 149.6 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | | | trans | -97.3 | 134.2 | 151.8 | -161.6 | -179.3 | -174.1 | 151.9 | 1 | 106.1 | | |
| 155 | P | 47.8 | Very low | 45.8 | Very low | 85 Ų | 85 | 145.8 Ų | 145.8 | 55% | 0.552 | 78% | 0.782 | S | S | * | * | | | trans | -136.2 | 128.2 | 132.2 | 37.3 | -22.8 | 0 | 0 | 0 | 108.5 | H153 | H153-P155 VanDerWaalsContact CE1-CG 3.48Å; H153-P155 WeakPolarHBondContact CE1-CG 3.47Å; H153-P155 WeakPolarHBondContact ND1-CD 3.37Å |
| 156 | E | 42 | Very low | 45.6 | Very low | 154 Ų | 154 | 144.3 Ų | 144.3 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | | 73.9 | 102.4 | 93.3 | -128.1 | 77.4 | -158.5 | 0 | 0 | 110.6 | Q158 | E156-Q158 PolarHBondContact O-N 3.43Š|
| 157 | T | 49.2 | Very low | 45.2 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 72% | 0.718 | 78% | 0.782 | S | S | * | * | | | trans | -27.6 | 114.1 | 160.7 | 37.5 | 0 | 0 | 0 | 0 | 114 | | |
| 158 | Q | 50.2 | Low | 45.3 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -115.4 | 106.4 | 150.4 | -71 | -165.3 | -15.3 | 0 | 0 | 108.7 | E156 Q160 | E156-Q158 PolarHBondContact O-N 3.43Å; Q158-Q160 PolarHBondContact O-N 3.11Å |
| 159 | H | 41.1 | Very low | 45.2 | Very low | 160 Ų | 160 | 151.6 Ų | 151.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | -52.6 | 101.8 | 162.6 | -67.6 | -93.7 | 0 | 0 | 0 | 108.8 | L161 | H159-L161 PolarHBondContact O-N 3.43Š|
| 160 | Q | 48.5 | Very low | 45.5 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | -72.2 | 85 | 158.8 | -72 | -171.8 | 27.5 | 0 | 0 | 107.5 | Q158 L162 | Q158-Q160 PolarHBondContact O-N 3.11Å; Q160-L162 PolarHBondContact O-N 3.08Å |
| 161 | L | 41.9 | Very low | 45.6 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | | | trans | -52.2 | 89.9 | 149.1 | -99.8 | 119.5 | 0 | 0 | 0 | 107.8 | H159 R163 | H159-L161 PolarHBondContact O-N 3.43Å; L161-R163 HydrophobicContact CD2-CG 4.05Å; L161-R163 PolarHBondContact O-N 3.3Å |
| 162 | L | 46.2 | Very low | 45.4 | Very low | 150 Ų | 150 | 157.2 Ų | 157.2 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -67.7 | 82.7 | 152.2 | -84.3 | 156.3 | 0 | 0 | 0 | 106.8 | Q160 L164 | Q160-L162 PolarHBondContact O-N 3.08Å; L162-L164 PolarHBondContact O-N 3.02Å |
| 163 | R | 44.4 | Very low | 45.6 | Very low | 220 Ų | 220 | 152.1 Ų | 152.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -63.1 | 98.2 | 160.3 | -88.3 | -176.4 | 170.9 | 160.6 | -2.7 | 107.4 | L161 | L161-R163 HydrophobicContact CD2-CG 4.05Å; L161-R163 PolarHBondContact O-N 3.3Å |
| 164 | L | 46.9 | Very low | 45.3 | Very low | 157 Ų | 157 | 149.4 Ų | 149.4 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | trans | -74.9 | 127.8 | 156.3 | -89.1 | 132.8 | 0 | 0 | 0 | 108.3 | L162 | L162-L164 PolarHBondContact O-N 3.02Š|
| 165 | P | 48.5 | Very low | 45.3 | Very low | 122 Ų | 122 | 144.9 Ų | 144.9 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -78.3 | 123.9 | 176.7 | 29.6 | -29.1 | 0 | 0 | 0 | 110.4 | | |
| 166 | G | 43.1 | Very low | 45.1 | Very low | 61 Ų | 61 | 148.2 Ų | 148.2 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | | | trans | 65.9 | 88.3 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 167 | H | 42.5 | Very low | 45.4 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | -142 | 130.5 | 133.2 | -77.7 | -64.7 | 0 | 0 | 0 | 109.3 | L169 | H167-L169 PolarHBondContact O-N 2.94Š|
| 168 | L | 44.3 | Very low | 45.1 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 127.5 | -175.6 | -66.6 | 150 | 0 | 0 | 0 | 111.9 | | |
| 169 | L | 44 | Very low | 45.1 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 128 | 160.9 | -70.9 | 167.6 | 0 | 0 | 0 | 108.6 | H167 | H167-L169 PolarHBondContact O-N 2.94Š|
| 170 | P | 48.5 | Very low | 45 | Very low | 121 Ų | 121 | 145.8 Ų | 145.8 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 150.6 | 160.4 | 31.9 | -29.3 | 0 | 0 | 0 | 110.2 | | |
| 171 | A | 38.8 | Very low | 44.6 | Very low | 98 Ų | 98 | 148.4 Ų | 148.4 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 152.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G173 | A171-G173 PolarHBondContact O-N 3.5Š|
| 172 | R | 45.8 | Very low | 44.5 | Very low | 261 Ų | 261 | 152.9 Ų | 152.9 | 99% | 0.985 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -50.5 | 111.5 | 170.2 | -166.5 | 178 | -175.5 | -178.3 | 0.5 | 111.1 | | |
| 173 | G | 51 | Low | 44.1 | Very low | 67 Ų | 67 | 152.6 Ų | 152.6 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | | | trans | 125.1 | 81.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | A171 | A171-G173 PolarHBondContact O-N 3.5Š|
| 174 | S | 36.6 | Very low | 43.7 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 81% | 0.805 | S | S | * | * | | | trans | -169.4 | 142.3 | 148.2 | -87.8 | 0 | 0 | 0 | 0 | 111 | L176 | S174-L176 PolarHBondContact O-N 2.78Š|
| 175 | P | 51 | Low | 43.5 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -86.2 | 101.6 | -173.8 | 33.8 | -28.8 | 0 | 0 | 0 | 109.4 | A177 | P175-A177 PolarHBondContact O-N 3.08Š|
| 176 | L | 43.5 | Very low | 43 | Very low | 155 Ų | 155 | 144.7 Ų | 144.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -97.1 | 88.4 | 168.7 | -77.8 | 164.8 | 0 | 0 | 0 | 109.1 | S174 T178 | S174-L176 PolarHBondContact O-N 2.78Å; L176-T178 PolarHBondContact O-N 3.32Å; L176-T178 VanDerWaalsContact O-N 3.08Å |
| 177 | A | 47.3 | Very low | 42.6 | Very low | 94 Ų | 94 | 151 Ų | 151 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | | | trans | -54.2 | 107.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | P175 P179 | P175-A177 PolarHBondContact O-N 3.08Å; A177-P179 VanDerWaalsContact O-CD 3.24Å; A177-P179 WeakPolarHBondContact O-CD 3.24Å |
| 178 | T | 44 | Very low | 42.7 | Very low | 117 Ų | 117 | 149.5 Ų | 149.5 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | | | trans | -91.7 | 106.9 | 166.3 | 27.5 | 0 | 0 | 0 | 0 | 107 | L176 W180 | L176-T178 PolarHBondContact O-N 3.32Å; L176-T178 VanDerWaalsContact O-N 3.08Å; T178-W180 PolarHBondContact O-N 2.77Å |
| 179 | P | 48.9 | Very low | 42.8 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | | | trans | -75.7 | 125.1 | 165.8 | 29.9 | -29 | 0 | 0 | 0 | 107.7 | A177 R181 | A177-P179 VanDerWaalsContact O-CD 3.24Å; A177-P179 WeakPolarHBondContact O-CD 3.24Å; P179-R181 PolarHBondContact O-N 3.46Å |
| 180 | W | 39.8 | Very low | 42.9 | Very low | 243 Ų | 243 | 147.4 Ų | 147.4 | 92% | 0.92 | 80% | 0.796 | S | S | * | * | | | trans | -55.7 | 104.7 | 167.3 | -63.3 | 89 | 0 | 0 | 0 | 108.6 | T178 W182 | T178-W180 PolarHBondContact O-N 2.77Å; W180-W182 PolarHBondContact O-N 3.3Å |
| 181 | R | 38.7 | Very low | 43 | Very low | 232 Ų | 232 | 144.9 Ų | 144.9 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -87.9 | 101.6 | 178.7 | -169.3 | -173.9 | -97.2 | -115.3 | 4.6 | 107.9 | P179 | P179-R181 PolarHBondContact O-N 3.46Š|
| 182 | W | 40.6 | Very low | 43.3 | Very low | 230 Ų | 230 | 145.8 Ų | 145.8 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | -72.7 | 121.3 | 165.7 | -77.8 | 85.7 | 0 | 0 | 0 | 108.6 | W180 | W180-W182 PolarHBondContact O-N 3.3Š|
| 183 | H | 38.5 | Very low | 43.5 | Very low | 144 Ų | 144 | 141.4 Ų | 141.4 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | -93.5 | 105.3 | 170.9 | -160.6 | -78.6 | 0 | 0 | 0 | 107.7 | D185 | H183-D185 IonicContact CE1-OD1 3.89Å; H183-D185 IonicContact CE1-OD2 3.53Å; H183-D185 IonicContact ND1-OD2 3.42Å; H183-D185 PolarHBondContact ND1-OD2 3.23Å |
| 184 | C | 35.2 | Very low | 43.4 | Very low | 114 Ų | 114 | 143 Ų | 143 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -92.7 | 110.6 | 165.7 | -72.3 | 0 | 0 | 0 | 0 | 107.2 | G186 | C184-G186 PolarHBondContact O-N 3.48Å; C184-G186 VanDerWaalsContact O-N 3.11Å |
| 185 | D | 42 | Very low | 43.9 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 102.4 | 164.6 | -97 | -63.8 | 0 | 0 | 0 | 108.6 | H183 | H183-D185 IonicContact CE1-OD1 3.89Å; H183-D185 IonicContact CE1-OD2 3.53Å; H183-D185 IonicContact ND1-OD2 3.42Å; H183-D185 PolarHBondContact ND1-OD2 3.23Å |
| 186 | G | 38.5 | Very low | 43.6 | Very low | 63 Ų | 63 | 144.9 Ų | 144.9 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | trans | -159.6 | 81.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | C184 E188 | C184-G186 PolarHBondContact O-N 3.48Å; C184-G186 VanDerWaalsContact O-N 3.11Å; G186-E188 PolarHBondContact O-N 2.91Å |
| 187 | Q | 35.9 | Very low | 43.4 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 77% | 0.768 | S | S | * | * | | | trans | 4 | 105.3 | 158.6 | -161.6 | 167.8 | 63.2 | 0 | 0 | 116.4 | | |
| 188 | E | 43.2 | Very low | 43.5 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -60.4 | 148.5 | 166.1 | -76.5 | -96.8 | 120.6 | 0 | 0 | 111.3 | G186 | G186-E188 PolarHBondContact O-N 2.91Š|
| 189 | P | 47.5 | Very low | 43.4 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | | -127.4 | 125.8 | 128.7 | 33.4 | -23 | 0 | 0 | 0 | 111.8 | | |
| 190 | H | 44.8 | Very low | 43.5 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 86% | 0.861 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 44.8 | 105.7 | 149.9 | -73.6 | -84.7 | 0 | 0 | 0 | 118.7 | | |
| 191 | G | 52 | Low | 43.4 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | trans | 84.5 | 73.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 192 | S | 44.3 | Very low | 44.3 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -143.8 | 122.7 | 161.6 | -76.5 | 0 | 0 | 0 | 0 | 110.1 | A194 | S192-A194 PolarHBondContact O-N 3.24Š|
| 193 | Q | 50.1 | Low | 44.8 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | | | trans | -45.7 | 120.4 | 174.7 | -91.4 | 178 | -14.3 | 0 | 0 | 111.3 | Q195 | Q193-Q195 PolarHBondContact O-N 3.07Å; Q193-Q195 VanDerWaalsContact O-N 3.07Å |
| 194 | A | 48.9 | Very low | 45 | Very low | 100 Ų | 100 | 119 Ų | 119 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | | | trans | -73.5 | 97.4 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | S192 | S192-A194 PolarHBondContact O-N 3.24Š|
| 195 | Q | 46.2 | Very low | 45.7 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 61% | 0.607 | 72% | 0.718 | S | S | * | * | | | trans | -85.4 | 112.9 | 168 | -64.5 | -172.7 | 25.5 | 0 | 0 | 109 | Q193 L197 | Q193-Q195 PolarHBondContact O-N 3.07Å; Q193-Q195 VanDerWaalsContact O-N 3.07Å; Q195-L197 PolarHBondContact O-N 3.27Å |
| 196 | L | 46.3 | Very low | 45.9 | Very low | 145 Ų | 145 | 117.1 Ų | 117.1 | 76% | 0.759 | 71% | 0.708 | S | S | * | * | | | trans | -77.5 | 102.4 | 173.2 | -105.2 | 125 | 0 | 0 | 0 | 109.3 | S198 | L196-S198 PolarHBondContact O-N 3.25Š|
| 197 | L | 38.8 | Very low | 46.3 | Very low | 108 Ų | 108 | 124.7 Ų | 124.7 | 57% | 0.565 | 72% | 0.717 | S | S | * | * | | | trans | -78.2 | 112.6 | 165.6 | -98.8 | 93.8 | 0 | 0 | 0 | 109.4 | Q195 V204 L206 | Q195-L197 PolarHBondContact O-N 3.27Å; L197-V204 HydrophobicContact CD2-CG1 3.94Å; L197-L206 HydrophobicContact CD1-CD2 4.04Å; L197-L206 HydrophobicContact CG-CD2 4.26Å |
| 198 | S | 49.6 | Very low | 46.7 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | | | trans | -99.2 | 118.6 | 166.4 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | L196 | L196-S198 PolarHBondContact O-N 3.25Š|
| 199 | V | 42.1 | Very low | 47 | Very low | 107 Ų | 107 | 117 Ų | 117 | 65% | 0.648 | 71% | 0.708 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 112.1 | 178.6 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 200 | Q | 49.7 | Very low | 47 | Very low | 134 Ų | 134 | 117.5 Ų | 117.5 | 63% | 0.626 | 71% | 0.711 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 153 | 171.3 | -72.2 | -85 | 35.2 | 0 | 0 | 109.6 | G202 G203 | Q200-G202 PolarHBondContact O-N 3.42Å; Q200-G203 PolarHBondContact O-N 3.3Å |
| 201 | P | 37.6 | Very low | 47.5 | Very low | 129 Ų | 129 | 115.2 Ų | 115.2 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 95 | 176.2 | 29.2 | -30.7 | 0 | 0 | 0 | 109 | | |
| 202 | G | 58.4 | Low | 47.2 | Very low | 87 Ų | 87 | 117.2 Ų | 117.2 | 90% | 0.897 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 151.1 | -10.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q200 | Q200-G202 PolarHBondContact O-N 3.42Š|
| 203 | G | 51.1 | Low | 47.3 | Very low | 43 Ų | 43 | 115.3 Ų | 115.3 | 44% | 0.443 | 71% | 0.713 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 152.7 | 156 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q200 | Q200-G203 PolarHBondContact O-N 3.3Å |
| 204 | V | 43.8 | Very low | 47.1 | Very low | 95 Ų | 95 | 115.2 Ų | 115.2 | 58% | 0.576 | 72% | 0.717 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.5 | 112.4 | 176.5 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | L197 | L197-V204 HydrophobicContact CD2-CG1 3.94Å |
| 205 | T | 49.7 | Very low | 46.8 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | | | trans | -106.7 | 114.3 | 174.3 | -49.3 | 0 | 0 | 0 | 0 | 108.9 | R207 | T205-R207 PolarHBondContact O-N 3.45Š|
| 206 | L | 44.4 | Very low | 46.8 | Very low | 119 Ų | 119 | 119.9 Ų | 119.9 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | | | trans | -76.4 | 117.8 | 171 | -73.8 | 165.8 | 0 | 0 | 0 | 108.6 | L197 | L197-L206 HydrophobicContact CD1-CD2 4.04Å; L197-L206 HydrophobicContact CG-CD2 4.26Å |
| 207 | R | 47.9 | Very low | 46.8 | Very low | 222 Ų | 222 | 118.5 Ų | 118.5 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | | | trans | -116.7 | 113.5 | 173.8 | -155.3 | -179.7 | -176.5 | -160 | 0.3 | 108.6 | T205 | T205-R207 PolarHBondContact O-N 3.45Š|
| 208 | A | 45.3 | Very low | 47.3 | Very low | 98 Ų | 98 | 119.1 Ų | 119.1 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 209 | S | 48.5 | Very low | 47.1 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 132.4 | 174.6 | -61.6 | 0 | 0 | 0 | 0 | 109.9 | T211 | S209-T211 PolarHBondContact O-N 3.34Š|
| 210 | P | 47.8 | Very low | 47.4 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 118.3 | 167.7 | 28.7 | -29.8 | 0 | 0 | 0 | 108.9 | S212 | P210-S212 PolarHBondContact O-N 3.03Å; P210-S212 VanDerWaalsContact O-N 3.13Å |
| 211 | T | 54.9 | Low | 47.3 | Very low | 138 Ų | 138 | 121.6 Ų | 121.6 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -69.8 | 101.4 | 165.1 | 37.3 | 0 | 0 | 0 | 0 | 108.4 | S209 G213 | S209-T211 PolarHBondContact O-N 3.34Å; T211-G213 PolarHBondContact O-N 3.13Å |
| 212 | S | 46.8 | Very low | 48 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | | | trans | -64.4 | 98 | 160.6 | 44.2 | 0 | 0 | 0 | 0 | 108.3 | P210 L214 | P210-S212 PolarHBondContact O-N 3.03Å; P210-S212 VanDerWaalsContact O-N 3.13Å; S212-L214 PolarHBondContact O-N 3.43Å |
| 213 | G | 46.3 | Very low | 47.2 | Very low | 77 Ų | 77 | 123.7 Ų | 123.7 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | | | trans | -70.8 | 116.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | T211 | T211-G213 PolarHBondContact O-N 3.13Š|
| 214 | L | 44.1 | Very low | 46.8 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -115.6 | 103.5 | 159.7 | -87.8 | 160.6 | 0 | 0 | 0 | 106.3 | S212 | S212-L214 PolarHBondContact O-N 3.43Š|
| 215 | C | 42.7 | Very low | 47.1 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 100% | 1.405 | 83% | 0.829 | S | S | * | * | | | trans | -137.1 | 0 | 153.3 | -77.1 | 0 | 0 | 0 | 0 | 105.8 | | |