| 1 | M | 48.1 | Very low | 65.4 | Low | 233 Ų | 233 | 128.6 Ų | 128.6 | 100% | 1.148 | 66% | 0.662 | S | S | * | * | | | | 0 | 92.9 | 0 | -167.1 | 175.3 | -162.3 | 0 | 0 | 106.8 | V3 | M1-V3 PolarHBondContact O-N 3.45Š|
| 2 | N | 62.7 | Low | 66.1 | Low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 65% | 0.651 | S | S | * | * | | | trans | -81.9 | 112.2 | -178.5 | -168.3 | 28 | 0 | 0 | 0 | 107.5 | P4 | N2-P4 WeakPolarHBondContact O-CD 3.47Š|
| 3 | V | 61.5 | Low | 66.7 | Low | 97 Ų | 97 | 125 Ų | 125 | 59% | 0.588 | 67% | 0.671 | S | S | * | * | | | trans | -88.8 | 107.1 | 178.9 | 172.2 | 0 | 0 | 0 | 0 | 106.8 | M1 F5 | M1-V3 PolarHBondContact O-N 3.45Å; V3-F5 HydrophobicContact CG1-CD2 3.59Å; V3-F5 HydrophobicContact CG1-CE2 4.24Å; V3-F5 PolarHBondContact O-N 3.29Å |
| 4 | P | 60.7 | Low | 67.7 | Low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | | | trans | -87.6 | 63.1 | -168.2 | 37.1 | -32.9 | 0 | 0 | 0 | 109.7 | N2 K6 | N2-P4 WeakPolarHBondContact O-CD 3.47Å; P4-K6 PolarHBondContact O-N 3.04Å |
| 5 | F | 68.1 | Low | 68.4 | Low | 141 Ų | 141 | 129.3 Ų | 129.3 | 62% | 0.618 | 68% | 0.679 | S | S | * | * | | | trans | -89.3 | 97.5 | 170.2 | -90.8 | -87.2 | 0 | 0 | 0 | 108.9 | V3 L8 | V3-F5 HydrophobicContact CG1-CD2 3.59Å; V3-F5 HydrophobicContact CG1-CE2 4.24Å; V3-F5 PolarHBondContact O-N 3.29Å; F5-L8 VanDerWaalsContact CE1-CD1 3.44Å; F5-L8 HydrophobicContact CZ-CD1 4.42Å; F5-L8 HydrophobicContact CE1-CD1 3.44Å; F5-L8 HydrophobicContact CD1-CD1 3.91Å; F5-L8 HydrophobicContact CD1-CB 4.44Å |
| 6 | K | 67.6 | Low | 69 | Low | 204 Ų | 204 | 126.1 Ų | 126.1 | 89% | 0.887 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -88.9 | -17.9 | 177.2 | -159.2 | 169.8 | -177.6 | 177.1 | 0 | 112.7 | P4 | P4-K6 PolarHBondContact O-N 3.04Š|
| 7 | R | 67.3 | Low | 69.2 | Low | 161 Ų | 161 | 124.9 Ų | 124.9 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | | | trans | -171.9 | 132.6 | 168.3 | -164.8 | 164.6 | 64.6 | -168.3 | 0 | 109.6 | | |
| 8 | L | 69.3 | Low | 69.6 | Low | 89 Ų | 89 | 124.3 Ų | 124.3 | 47% | 0.466 | 66% | 0.656 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.3 | 113.8 | 169.3 | -167.1 | 77.8 | 0 | 0 | 0 | 107.8 | F5 V10 V19 | F5-L8 VanDerWaalsContact CE1-CD1 3.44Å; F5-L8 HydrophobicContact CZ-CD1 4.42Å; F5-L8 HydrophobicContact CE1-CD1 3.44Å; F5-L8 HydrophobicContact CD1-CD1 3.91Å; F5-L8 HydrophobicContact CD1-CB 4.44Å; L8-V10 HydrophobicContact CD2-CG2 4.38Å; L8-V10 HydrophobicContact CG-CG2 4.45Å; L8-V19 PolarHBondContact N-O 3.25Å; L8-V19 PolarHBondContact O-N 2.93Å |
| 9 | S | 70.4 | Confident | 69.7 | Low | 58 Ų | 58 | 122.2 Ų | 122.2 | 41% | 0.406 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.8 | 176.5 | -68.4 | 0 | 0 | 0 | 0 | 108.7 | L18 | S9-L18 WeakPolarHBondContact OG-CD2 3.43Å |
| 10 | V | 70.1 | Confident | 69.7 | Low | 58 Ų | 58 | 124.9 Ų | 124.9 | 35% | 0.352 | 67% | 0.67 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.6 | 115.8 | 173.2 | -174.4 | 0 | 0 | 0 | 0 | 107.2 | L8 F12 L17 | L8-V10 HydrophobicContact CD2-CG2 4.38Å; L8-V10 HydrophobicContact CG-CG2 4.45Å; V10-F12 HydrophobicContact CG1-CD2 3.97Å; V10-F12 HydrophobicContact CG1-CZ 3.84Å; V10-F12 VanDerWaalsContact CG1-CE2 3.4Å; V10-F12 HydrophobicContact CG1-CE2 3.4Å; V10-F12 HydrophobicContact CB-CE2 4.31Å; V10-L17 PolarHBondContact N-O 2.92Å; V10-L17 PolarHBondContact O-N 2.87Å |
| 11 | V | 73.3 | Confident | 69.7 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.1 | 179 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | T16 | V11-T16 HydrophobicContact CG2-CG2 4.26Å |
| 12 | F | 74.2 | Confident | 70.8 | Confident | 122 Ų | 122 | 119.2 Ų | 119.2 | 54% | 0.535 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 153.8 | 161.5 | -68.6 | -82.1 | 0 | 0 | 0 | 108.3 | V10 E14 H15 L17 | V10-F12 HydrophobicContact CG1-CD2 3.97Å; V10-F12 HydrophobicContact CG1-CZ 3.84Å; V10-F12 VanDerWaalsContact CG1-CE2 3.4Å; V10-F12 HydrophobicContact CG1-CE2 3.4Å; V10-F12 HydrophobicContact CB-CE2 4.31Å; F12-E14 PolarHBondContact O-N 3.35Å; F12-H15 CarbonylContact C-O 3.55Å; F12-H15 WeakPolarHBondContact CA-O 3.36Å; F12-H15 PolarHBondContact N-O 2.94Å; F12-H15 CarbonylContact O-C 3.51Å; F12-H15 PolarHBondContact O-N 3.22Å; F12-L17 HydrophobicContact CD2-CD1 4.47Å; F12-L17 HydrophobicContact CE2-CD1 4.35Å |
| 13 | G | 73.8 | Confident | 71.2 | Confident | 88 Ų | 88 | 117.2 Ų | 117.2 | 91% | 0.907 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.4 | -44.4 | -165.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 14 | E | 80.4 | Confident | 71.8 | Confident | 180 Ų | 180 | 118.4 Ų | 118.4 | 84% | 0.841 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | -3.5 | 178.5 | -66.6 | -174.4 | 112.9 | 0 | 0 | 114.4 | F12 | F12-E14 PolarHBondContact O-N 3.35Š|
| 15 | H | 78.3 | Confident | 72.5 | Confident | 135 Ų | 135 | 118.8 Ų | 118.8 | 63% | 0.625 | 63% | 0.632 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -140.3 | 133 | -173.4 | -56.4 | -51.9 | 0 | 0 | 0 | 112.4 | F12 | F12-H15 CarbonylContact C-O 3.55Å; F12-H15 WeakPolarHBondContact CA-O 3.36Å; F12-H15 PolarHBondContact N-O 2.94Å; F12-H15 CarbonylContact O-C 3.51Å; F12-H15 PolarHBondContact O-N 3.22Å |
| 16 | T | 78.4 | Confident | 72.8 | Confident | 78 Ų | 78 | 117.3 Ų | 117.3 | 48% | 0.479 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.6 | 172.3 | -58.6 | 0 | 0 | 0 | 0 | 109.5 | V11 L18 | V11-T16 HydrophobicContact CG2-CG2 4.26Å; T16-L18 HydrophobicContact CG2-CD2 3.87Å; T16-L18 HydrophobicContact CG2-CG 4.45Å |
| 17 | L | 72.4 | Confident | 73.2 | Confident | 106 Ų | 106 | 111.1 Ų | 111.1 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -94.9 | 123.2 | 170.2 | -66.9 | 173.6 | 0 | 0 | 0 | 108.8 | V10 F12 | V10-L17 PolarHBondContact N-O 2.92Å; V10-L17 PolarHBondContact O-N 2.87Å; F12-L17 HydrophobicContact CD2-CD1 4.47Å; F12-L17 HydrophobicContact CE2-CD1 4.35Å |
| 18 | L | 75.8 | Confident | 73.6 | Confident | 113 Ų | 113 | 107.2 Ų | 107.2 | 59% | 0.592 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.6 | 177.4 | -60.4 | 177.8 | 0 | 0 | 0 | 108.3 | S9 T16 | S9-L18 WeakPolarHBondContact OG-CD2 3.43Å; T16-L18 HydrophobicContact CG2-CD2 3.87Å; T16-L18 HydrophobicContact CG2-CG 4.45Å |
| 19 | V | 71.5 | Confident | 74 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 51% | 0.509 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.7 | 125.3 | 174.5 | -174.4 | 0 | 0 | 0 | 0 | 108.3 | L8 | L8-V19 PolarHBondContact N-O 3.25Å; L8-V19 PolarHBondContact O-N 2.93Å |
| 20 | T | 69.5 | Low | 74.3 | Confident | 177 Ų | 177 | 113.4 Ų | 113.4 | 100% | 1.086 | 65% | 0.647 | S | S | * | * | | | trans | -95.9 | 0 | 172.2 | 51.3 | 0 | 0 | 0 | 0 | 110.8 | | |