| 1 | M | 67.8 | Low | 87 | Confident | 242 Ų | 242 | 138.5 Ų | 138.5 | 100% | 1.192 | 73% | 0.731 | S | S | * | * | | | | 0 | 133.2 | 0 | -67.9 | -157.9 | -167.1 | 0 | 0 | 108.2 | | |
| 2 | S | 70.8 | Confident | 87.8 | Confident | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | | | trans | -72.6 | 133.2 | 174 | -164.9 | 0 | 0 | 0 | 0 | 109.2 | L4 | S2-L4 PolarHBondContact O-N 2.95Š|
| 3 | P | 80.7 | Confident | 88.4 | Confident | 116 Ų | 116 | 138.8 Ų | 138.8 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | | | trans | -70.9 | 122 | -176.4 | 26.1 | -30.9 | 0 | 0 | 0 | 110.8 | K5 | P3-K5 PolarHBondContact O-N 3.42Š|
| 4 | L | 85.8 | Confident | 89 | Confident | 180 Ų | 180 | 132.1 Ų | 132.1 | 94% | 0.942 | 68% | 0.681 | S | S | * | * | | | trans | -78.8 | 101.6 | 173.8 | -65.9 | 171.7 | 0 | 0 | 0 | 108.9 | S2 | S2-L4 PolarHBondContact O-N 2.95Š|
| 5 | K | 90.3 | Very high | 89.6 | Confident | 142 Ų | 142 | 136.5 Ų | 136.5 | 62% | 0.617 | 70% | 0.701 | S | S | * | * | | | trans | -132.1 | 127 | 176.2 | -168.7 | 173.3 | 177.3 | -165.1 | 0 | 110.1 | P3 Y7 | P3-K5 PolarHBondContact O-N 3.42Å; K5-Y7 PolarHBondContact NZ-OH 3.06Å; K5-Y7 VanDerWaalsContact NZ-OH 3.13Å; K5-Y7 HydrophobicContact CG-CE2 4.27Å; K5-Y7 HydrophobicContact CG-CE1 4.43Å; K5-Y7 WeakPolarHBondContact CE-OH 3.09Å; K5-Y7 VanDerWaalsContact CE-OH 3.31Å; K5-Y7 VanDerWaalsContact CE-CE1 3.47Å; K5-Y7 WeakPolarHBondContact CD-OH 3.32Å; K5-Y7 HydrophobicContact CD-CE2 4.43Å; K5-Y7 HydrophobicContact CD-CE1 4.18Å |
| 6 | I | 89 | Confident | 90.1 | Very high | 158 Ų | 158 | 139.5 Ų | 139.5 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | | | trans | -121.3 | 141.4 | -179.1 | -55.7 | 170.8 | 0 | 0 | 0 | 107.7 | | |
| 7 | Y | 93.8 | Very high | 90.3 | Very high | 180 Ų | 180 | 135.2 Ų | 135.2 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | | | trans | -113.9 | 147.4 | -175.5 | -61.7 | -85.9 | 0 | 0 | 0 | 111.6 | K5 | K5-Y7 PolarHBondContact NZ-OH 3.06Å; K5-Y7 VanDerWaalsContact NZ-OH 3.13Å; K5-Y7 HydrophobicContact CG-CE2 4.27Å; K5-Y7 HydrophobicContact CG-CE1 4.43Å; K5-Y7 WeakPolarHBondContact CE-OH 3.09Å; K5-Y7 VanDerWaalsContact CE-OH 3.31Å; K5-Y7 VanDerWaalsContact CE-CE1 3.47Å; K5-Y7 WeakPolarHBondContact CD-OH 3.32Å; K5-Y7 HydrophobicContact CD-CE2 4.43Å; K5-Y7 HydrophobicContact CD-CE1 4.18Å |
| 8 | G | 94.4 | Very high | 90.6 | Very high | 51 Ų | 51 | 129.7 Ų | 129.7 | 53% | 0.526 | 68% | 0.676 | S | S | . | * | S | Bend | trans | 158.6 | 167.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I10 | G8-I10 PolarHBondContact O-N 2.87Š|
| 9 | P | 94.7 | Very high | 91 | Very high | 102 Ų | 102 | 128.9 Ų | 128.9 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | | | trans | -58.3 | 132.7 | 168.5 | -20 | 32.4 | 0 | 0 | 0 | 110 | W22 | P9-W22 HydrophobicContact CB-CE3 4.3Š|
| 10 | I | 94.6 | Very high | 91.3 | Very high | 109 Ų | 109 | 124.7 Ų | 124.7 | 56% | 0.559 | 65% | 0.651 | S | S | * | * | | | trans | -127 | 127.9 | -173.9 | -82.7 | 169.4 | 0 | 0 | 0 | 109.3 | G8 I12 | G8-I10 PolarHBondContact O-N 2.87Å; I10-I12 HydrophobicContact CG2-CD1 3.91Å; I10-I12 HydrophobicContact CG2-CG1 3.57Å |
| 11 | R | 94.9 | Very high | 91.5 | Very high | 134 Ų | 134 | 127.8 Ų | 127.8 | 51% | 0.506 | 66% | 0.659 | S | S | . | * | | | trans | -108.8 | 131.6 | 170.2 | -156.5 | 173.1 | 89.4 | -176.9 | 4.1 | 109.9 | T20 W22 | R11-T20 WeakPolarHBondContact CD-O 3.25Å; R11-T20 WeakPolarHBondContact CG-O 2.98Å; R11-W22 HydrophobicContact CB-CD2 4.31Å; R11-W22 HydrophobicContact CB-CZ3 4.48Å; R11-W22 HydrophobicContact CB-CE3 4.11Å |
| 12 | I | 96.8 | Very high | 92.5 | Very high | 87 Ų | 87 | 126.5 Ų | 126.5 | 45% | 0.446 | 64% | 0.641 | S | S | . | * | | | trans | -119 | 138.2 | -176.2 | -58.5 | 173.5 | 0 | 0 | 0 | 109.1 | I10 T20 | I10-I12 HydrophobicContact CG2-CD1 3.91Å; I10-I12 HydrophobicContact CG2-CG1 3.57Å; I12-T20 PolarHBondContact N-OG1 3.23Å; I12-T20 PolarHBondContact O-N 3.13Å; I12-T20 PolarHBondContact O-OG1 3.34Å |
| 13 | R | 96.1 | Very high | 93.6 | Very high | 193 Ų | 193 | 127.4 Ų | 127.4 | 73% | 0.728 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -119.4 | 113.5 | 164.7 | 175.9 | 171.1 | 40.5 | -153.6 | -8.3 | 109.5 | G18 I19 | R13-G18 VanDerWaalsContact CA-O 3.25Å; R13-G18 WeakPolarHBondContact CA-O 3.34Å; R13-I19 HydrophobicContact CB-CG1 4.44Å; R13-I19 HydrophobicContact CG-CG1 3.99Å |
| 14 | S | 97 | Very high | 94.3 | Very high | 46 Ų | 46 | 127.9 Ų | 127.9 | 32% | 0.322 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -145.8 | 163.5 | 176.3 | 78.9 | 0 | 0 | 0 | 0 | 110.5 | Q16 T17 G18 | S14-Q16 PolarHBondContact O-N 3.14Å; S14-Q16 PolarHBondContact OG-N 3.44Å; S14-T17 PolarHBondContact O-N 2.76Å; S14-T17 PolarHBondContact OG-N 3Å; S14-T17 PolarHBondContact OG-OG1 3.45Å; S14-G18 PolarHBondContact N-O 3.34Å; S14-G18 VanDerWaalsContact N-O 3.14Å; S14-G18 WeakPolarHBondContact O-CA 3.31Å; S14-G18 PolarHBondContact O-N 3.32Å |
| 15 | M | 97.8 | Very high | 94.8 | Very high | 198 Ų | 198 | 125.1 Ų | 125.1 | 98% | 0.975 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -32.5 | 173.2 | -69.5 | -62.3 | -68.2 | 0 | 0 | 112.1 | | |
| 16 | Q | 97.3 | Very high | 95 | Very high | 184 Ų | 184 | 124.1 Ų | 124.1 | 86% | 0.86 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -41.6 | -179.3 | -179.6 | -178.2 | -9.5 | 0 | 0 | 112.4 | S14 | S14-Q16 PolarHBondContact O-N 3.14Å; S14-Q16 PolarHBondContact OG-N 3.44Å |
| 17 | T | 93.4 | Very high | 95.4 | Very high | 66 Ų | 66 | 121.9 Ų | 121.9 | 41% | 0.405 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.1 | -2.7 | -169.7 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | S14 | S14-T17 PolarHBondContact O-N 2.76Å; S14-T17 PolarHBondContact OG-N 3Å; S14-T17 PolarHBondContact OG-OG1 3.45Å |
| 18 | G | 96.1 | Very high | 95.5 | Very high | 37 Ų | 37 | 118.1 Ų | 118.1 | 38% | 0.381 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | 58.7 | -143.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111 | R13 S14 | R13-G18 VanDerWaalsContact CA-O 3.25Å; R13-G18 WeakPolarHBondContact CA-O 3.34Å; S14-G18 PolarHBondContact N-O 3.34Å; S14-G18 VanDerWaalsContact N-O 3.14Å; S14-G18 WeakPolarHBondContact O-CA 3.31Å; S14-G18 PolarHBondContact O-N 3.32Å |
| 19 | I | 97.4 | Very high | 95.6 | Very high | 114 Ų | 114 | 122.9 Ų | 122.9 | 59% | 0.585 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 110.2 | 174.9 | -57.4 | 177.9 | 0 | 0 | 0 | 108.2 | R13 | R13-I19 HydrophobicContact CB-CG1 4.44Å; R13-I19 HydrophobicContact CG-CG1 3.99Å |
| 20 | T | 96.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 124.5 Ų | 124.5 | 28% | 0.276 | 59% | 0.591 | S | S | . | * | | | trans | -78.5 | 162.3 | 178.5 | 71 | 0 | 0 | 0 | 0 | 111.3 | R11 I12 | R11-T20 WeakPolarHBondContact CD-O 3.25Å; R11-T20 WeakPolarHBondContact CG-O 2.98Å; I12-T20 PolarHBondContact N-OG1 3.23Å; I12-T20 PolarHBondContact O-N 3.13Å; I12-T20 PolarHBondContact O-OG1 3.34Å |
| 21 | K | 95.4 | Very high | 95.8 | Very high | 190 Ų | 190 | 125.8 Ų | 125.8 | 83% | 0.826 | 59% | 0.594 | S | S | * | * | | | trans | -74.7 | 166.9 | 161 | -65.3 | 179.6 | -177.4 | 176.2 | 0 | 109.1 | | |
| 22 | W | 90.3 | Very high | 95.8 | Very high | 215 Ų | 215 | 125 Ų | 125 | 81% | 0.814 | 60% | 0.602 | S | S | * | * | | | trans | -54.5 | 0 | 170.7 | -75.6 | 109 | 0 | 0 | 0 | 112 | P9 R11 | P9-W22 HydrophobicContact CB-CE3 4.3Å; R11-W22 HydrophobicContact CB-CD2 4.31Å; R11-W22 HydrophobicContact CB-CZ3 4.48Å; R11-W22 HydrophobicContact CB-CE3 4.11Å |