| 1 | Y | 51.3 | Low | 60.2 | Low | 293 Ų | 293 | 153.8 Ų | 153.8 | 100% | 1.149 | 77% | 0.774 | S | S | * | * | | | | 0 | 73.7 | 0 | -78.5 | -85.3 | 0 | 0 | 0 | 108.5 | | |
| 2 | K | 60.7 | Low | 60.3 | Low | 194 Ų | 194 | 147 Ų | 147 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -135.6 | 28 | -167.9 | -142.6 | -171.3 | -173.8 | -172.1 | 0 | 112.1 | | |
| 3 | D | 56.4 | Low | 60.2 | Low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | -138 | 45.3 | -175 | -45.8 | -65 | 0 | 0 | 0 | 109.3 | D5 | D3-D5 VanDerWaalsContact O-N 3.13Å; D3-D5 PolarHBondContact O-N 3.44Å |
| 4 | A | 60.8 | Low | 60.3 | Low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 71% | 0.709 | S | S | * | * | | | trans | -83.1 | 63.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 107 | L6 | A4-L6 PolarHBondContact O-N 3.44Š|
| 5 | D | 59.3 | Low | 60.3 | Low | 133 Ų | 133 | 140.3 Ų | 140.3 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | | | trans | -65.6 | 88.4 | 164.3 | -75.2 | -32.4 | 0 | 0 | 0 | 105.9 | D3 Y7 | D3-D5 VanDerWaalsContact O-N 3.13Å; D3-D5 PolarHBondContact O-N 3.44Å; D5-Y7 PolarHBondContact O-N 3.28Å |
| 6 | L | 62.5 | Low | 60.3 | Low | 142 Ų | 142 | 137.1 Ų | 137.1 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | | | trans | -4.1 | 89.7 | 163.9 | -172.3 | 70.1 | 0 | 0 | 0 | 112.5 | A4 L8 | A4-L6 PolarHBondContact O-N 3.44Å; L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 HydrophobicContact CD2-CD1 3.8Å; L6-L8 HydrophobicContact CG-CD1 4.13Å; L6-L8 PolarHBondContact O-N 3.36Å |
| 7 | Y | 60 | Low | 60.4 | Low | 204 Ų | 204 | 134.4 Ų | 134.4 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | | | trans | -64.7 | 99.7 | 161.4 | -65.1 | -79.9 | 0 | 0 | 0 | 105.2 | D5 L9 | D5-Y7 PolarHBondContact O-N 3.28Å; Y7-L9 PolarHBondContact O-N 3.41Å |
| 8 | L | 65.1 | Low | 60.4 | Low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 67% | 0.669 | S | S | * | * | | | trans | -58.9 | 98.3 | 162.4 | -112.8 | 95.3 | 0 | 0 | 0 | 104.8 | L6 D10 | L6-L8 VanDerWaalsContact C-N 3.28Å; L6-L8 HydrophobicContact CD2-CD1 3.8Å; L6-L8 HydrophobicContact CG-CD1 4.13Å; L6-L8 PolarHBondContact O-N 3.36Å; L8-D10 PolarHBondContact O-N 3.03Å |
| 9 | L | 65.6 | Low | 60.6 | Low | 124 Ų | 124 | 128.5 Ų | 128.5 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | | | trans | -64.5 | 83.4 | 173.1 | -82.6 | 159.7 | 0 | 0 | 0 | 106.5 | Y7 S11 P12 | Y7-L9 PolarHBondContact O-N 3.41Å; L9-S11 PolarHBondContact O-N 3.29Å; L9-P12 HydrophobicContact CD2-CG 3.9Å; L9-P12 HydrophobicContact CG-CG 4.34Å; L9-P12 HydrophobicContact CD2-CB 3.76Å; L9-P12 HydrophobicContact CD1-CG 4.31Å; L9-P12 HydrophobicContact CB-CG 4.09Å |
| 10 | D | 60.9 | Low | 60.7 | Low | 151 Ų | 151 | 124.6 Ų | 124.6 | 81% | 0.807 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -75.6 | 45.4 | 177.2 | -142.8 | 17.8 | 0 | 0 | 0 | 110.4 | L8 | L8-D10 PolarHBondContact O-N 3.03Š|
| 11 | S | 59.4 | Low | 60.7 | Low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 63% | 0.633 | S | S | * | * | | | trans | 100.4 | 92.3 | -169.7 | -49.8 | 0 | 0 | 0 | 0 | 113.5 | L9 F13 G14 | L9-S11 PolarHBondContact O-N 3.29Å; S11-F13 PolarHBondContact O-N 2.6Å; S11-G14 PolarHBondContact O-N 3.3Å; S11-G14 VanDerWaalsContact O-N 3.15Å |
| 12 | P | 62 | Low | 61.3 | Low | 72 Ų | 72 | 117 Ų | 117 | 47% | 0.468 | 61% | 0.608 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.3 | -19.5 | 168.6 | -4.8 | 12 | 0 | 0 | 0 | 112.9 | L9 | L9-P12 HydrophobicContact CD2-CG 3.9Å; L9-P12 HydrophobicContact CG-CG 4.34Å; L9-P12 HydrophobicContact CD2-CB 3.76Å; L9-P12 HydrophobicContact CD1-CG 4.31Å; L9-P12 HydrophobicContact CB-CG 4.09Å |
| 13 | F | 58.8 | Low | 61.3 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 57% | 0.566 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -10.3 | -174 | -54.3 | -69.7 | 0 | 0 | 0 | 113.3 | S11 Y15 L16 D17 | S11-F13 PolarHBondContact O-N 2.6Å; F13-Y15 VanDerWaalsContact C-N 3.31Å; F13-Y15 PolarHBondContact O-N 2.85Å; F13-L16 HydrophobicContact CD1-CD2 4.21Å; F13-L16 CarbonylContact O-C 3.55Å; F13-L16 PolarHBondContact O-N 3.29Å; F13-D17 PolarHBondContact O-N 3.47Å |
| 14 | G | 61 | Low | 61.8 | Low | 36 Ų | 36 | 114.5 Ų | 114.5 | 37% | 0.371 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.9 | -32.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114 | S11 | S11-G14 PolarHBondContact O-N 3.3Å; S11-G14 VanDerWaalsContact O-N 3.15Å |
| 15 | Y | 60.2 | Low | 61.9 | Low | 175 Ų | 175 | 118.3 Ų | 118.3 | 69% | 0.686 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78.3 | -33.6 | 171.6 | 179.3 | -106 | 0 | 0 | 0 | 112.3 | F13 L19 | F13-Y15 VanDerWaalsContact C-N 3.31Å; F13-Y15 PolarHBondContact O-N 2.85Å; Y15-L19 PolarHBondContact O-N 3.32Å; Y15-L19 HydrophobicContact CE2-CD1 4.48Å; Y15-L19 HydrophobicContact CE1-CD1 3.34Å; Y15-L19 HydrophobicContact CD1-CD1 3.98Å; Y15-L19 HydrophobicContact CE1-CG 4.31Å |
| 16 | L | 61.1 | Low | 61.5 | Low | 90 Ų | 90 | 123.2 Ų | 123.2 | 47% | 0.471 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.1 | -36.2 | 179.4 | -161.8 | 68.6 | 0 | 0 | 0 | 110.7 | F13 V18 L19 T20 | F13-L16 HydrophobicContact CD1-CD2 4.21Å; F13-L16 CarbonylContact O-C 3.55Å; F13-L16 PolarHBondContact O-N 3.29Å; L16-V18 PolarHBondContact O-N 2.77Å; L16-L19 PolarHBondContact O-N 3.42Å; L16-T20 WeakPolarHBondContact O-CB 3.21Å; L16-T20 PolarHBondContact O-N 3.16Å; L16-T20 PolarHBondContact O-OG1 2.9Å |
| 17 | D | 61.1 | Low | 61.4 | Low | 91 Ų | 91 | 122.3 Ų | 122.3 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.1 | -45.3 | 176 | -78.4 | -20.7 | 0 | 0 | 0 | 111.1 | F13 L19 T20 E21 | F13-D17 PolarHBondContact O-N 3.47Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.31Å; D17-T20 PolarHBondContact O-N 3.13Å; D17-E21 WeakPolarHBondContact O-CB 3.21Å; D17-E21 WeakPolarHBondContact O-CG 3.33Å; D17-E21 PolarHBondContact O-N 2.79Å |
| 18 | V | 61.8 | Low | 61.5 | Low | 79 Ų | 79 | 117.9 Ų | 117.9 | 48% | 0.479 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.6 | -32.6 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 112.8 | L16 | L16-V18 PolarHBondContact O-N 2.77Å |
| 19 | L | 62.9 | Low | 61.3 | Low | 77 Ų | 77 | 116.9 Ų | 116.9 | 40% | 0.403 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -77 | -43.2 | 176 | -73.5 | 174.2 | 0 | 0 | 0 | 111.5 | Y15 L16 D17 K22 E23 | Y15-L19 PolarHBondContact O-N 3.32Å; Y15-L19 HydrophobicContact CE2-CD1 4.48Å; Y15-L19 HydrophobicContact CE1-CD1 3.34Å; Y15-L19 HydrophobicContact CD1-CD1 3.98Å; Y15-L19 HydrophobicContact CE1-CG 4.31Å; L16-L19 PolarHBondContact O-N 3.42Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.31Å; L19-K22 PolarHBondContact O-N 3.4Å; L19-E23 PolarHBondContact O-N 2.99Å |
| 20 | T | 63.8 | Low | 61 | Low | 50 Ų | 50 | 116.5 Ų | 116.5 | 31% | 0.307 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -73 | -33.9 | -176.9 | -41 | 0 | 0 | 0 | 0 | 111.3 | L16 D17 K22 E23 I24 | L16-T20 WeakPolarHBondContact O-CB 3.21Å; L16-T20 PolarHBondContact O-N 3.16Å; L16-T20 PolarHBondContact O-OG1 2.9Å; D17-T20 PolarHBondContact O-N 3.13Å; T20-K22 VanDerWaalsContact C-N 3.3Å; T20-K22 PolarHBondContact O-N 3.15Å; T20-E23 PolarHBondContact O-N 2.79Å; T20-I24 HydrophobicContact CG2-CD1 3.91Å; T20-I24 WeakPolarHBondContact O-CG1 3.24Å; T20-I24 PolarHBondContact O-N 2.9Å; T20-I24 VanDerWaalsContact O-N 3.16Å |
| 21 | E | 61.1 | Low | 61 | Low | 116 Ų | 116 | 114.3 Ų | 114.3 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.4 | -41 | 173 | -81.4 | 179.6 | 174.6 | 0 | 0 | 111.5 | D17 E23 I24 F25 | D17-E21 WeakPolarHBondContact O-CB 3.21Å; D17-E21 WeakPolarHBondContact O-CG 3.33Å; D17-E21 PolarHBondContact O-N 2.79Å; E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 2.81Å; E21-I24 PolarHBondContact O-N 2.8Å; E21-F25 VanDerWaalsContact O-CD2 3.24Å; E21-F25 WeakPolarHBondContact O-CD2 3.34Å; E21-F25 PolarHBondContact O-N 2.78Å |
| 22 | K | 62.2 | Low | 61.2 | Low | 144 Ų | 144 | 116.5 Ų | 116.5 | 63% | 0.626 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67 | -34.3 | 178.9 | -72.3 | -176.9 | 178.5 | -175.3 | 0 | 113.1 | L19 T20 | L19-K22 PolarHBondContact O-N 3.4Å; T20-K22 VanDerWaalsContact C-N 3.3Å; T20-K22 PolarHBondContact O-N 3.15Å |
| 23 | E | 62.6 | Low | 61.1 | Low | 160 Ų | 160 | 119.7 Ų | 119.7 | 75% | 0.748 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -78.3 | -20.9 | 179.1 | -74.5 | -176.3 | 139.5 | 0 | 0 | 113.8 | L19 T20 E21 | L19-E23 PolarHBondContact O-N 2.99Å; T20-E23 PolarHBondContact O-N 2.79Å; E21-E23 VanDerWaalsContact C-N 3.34Å; E21-E23 PolarHBondContact O-N 2.81Å |
| 24 | I | 65.6 | Low | 61.3 | Low | 116 Ų | 116 | 119 Ų | 119 | 60% | 0.595 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -88.2 | -27.7 | -179.6 | -69 | 170.6 | 0 | 0 | 0 | 112.2 | T20 E21 | T20-I24 HydrophobicContact CG2-CD1 3.91Å; T20-I24 WeakPolarHBondContact O-CG1 3.24Å; T20-I24 PolarHBondContact O-N 2.9Å; T20-I24 VanDerWaalsContact O-N 3.16Å; E21-I24 PolarHBondContact O-N 2.8Å |
| 25 | F | 63.3 | Low | 61.3 | Low | 178 Ų | 178 | 125.9 Ų | 125.9 | 78% | 0.781 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -106.4 | -0.3 | -172.7 | -68.9 | -72.5 | 0 | 0 | 0 | 115.3 | E21 | E21-F25 VanDerWaalsContact O-CD2 3.24Å; E21-F25 WeakPolarHBondContact O-CD2 3.34Å; E21-F25 PolarHBondContact O-N 2.78Å |
| 26 | E | 50 | Low | 61.4 | Low | 235 Ų | 235 | 121.5 Ų | 121.5 | 100% | 1.098 | 59% | 0.594 | S | S | * | * | | | trans | -95 | 0 | 162.7 | -78.2 | -170.7 | 165.4 | 0 | 0 | 111.6 | | |