| 1 | M | 47 | Very low | 63.1 | Low | 241 Ų | 241 | 123.3 Ų | 123.3 | 100% | 1.187 | 69% | 0.691 | S | S | * | * | | | | 0 | 108.4 | 0 | -73.1 | 165.6 | 144 | 0 | 0 | 107.7 | | |
| 2 | K | 53.3 | Low | 64.8 | Low | 198 Ų | 198 | 121.6 Ų | 121.6 | 86% | 0.861 | 67% | 0.671 | S | S | * | * | | | trans | -76.1 | 126.9 | 172.6 | -86.9 | 161.6 | 160.5 | 171.9 | 0 | 107.1 | S4 | K2-S4 PolarHBondContact O-N 3.36Š|
| 3 | P | 59.2 | Low | 66.4 | Low | 123 Ų | 123 | 123.1 Ų | 123.1 | 80% | 0.799 | 66% | 0.66 | S | S | * | * | | | trans | -65.2 | 111.3 | 167.2 | 26.8 | -28.8 | 0 | 0 | 0 | 106.1 | A5 | P3-A5 PolarHBondContact O-N 3.35Š|
| 4 | S | 59.1 | Low | 68 | Low | 77 Ų | 77 | 122.8 Ų | 122.8 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | | | trans | -50.9 | 116.7 | 178.8 | -70.6 | 0 | 0 | 0 | 0 | 108.6 | K2 E6 C7 | K2-S4 PolarHBondContact O-N 3.36Å; S4-E6 PolarHBondContact O-N 3.05Å; S4-C7 WeakPolarHBondContact O-CB 3.34Å; S4-C7 PolarHBondContact O-N 3.11Å |
| 5 | A | 57.3 | Low | 69.5 | Low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -61.7 | -7.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P3 C7 C8 | P3-A5 PolarHBondContact O-N 3.35Å; A5-C7 PolarHBondContact O-N 3.2Å; A5-C8 PolarHBondContact O-N 2.66Å; A5-C8 VanDerWaalsContact O-N 3.08Å |
| 6 | E | 56.9 | Low | 70.5 | Confident | 161 Ų | 161 | 118.1 Ų | 118.1 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -58.5 | -22.3 | 166.5 | -62.4 | 179.1 | 90.3 | 0 | 0 | 112.9 | S4 C8 | S4-E6 PolarHBondContact O-N 3.05Å; E6-C8 PolarHBondContact O-N 3.28Å |
| 7 | C | 57.2 | Low | 71.5 | Confident | 42 Ų | 42 | 114.4 Ų | 114.4 | 28% | 0.284 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -64.5 | -22.2 | 173.8 | -161.1 | 0 | 0 | 0 | 0 | 112.2 | S4 A5 S9 W13 | S4-C7 WeakPolarHBondContact O-CB 3.34Å; S4-C7 PolarHBondContact O-N 3.11Å; A5-C7 PolarHBondContact O-N 3.2Å; C7-S9 PolarHBondContact O-N 2.95Å; C7-S9 VanDerWaalsContact O-N 3.13Å; C7-W13 PolarHBondContact O-NE1 3.23Å; C7-W13 WeakPolarHBondContact SG-CZ2 3.25Å |
| 8 | C | 64.9 | Low | 72.5 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 68% | 0.682 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -76 | 1.7 | -175.5 | -64.3 | 0 | 0 | 0 | 0 | 114.9 | A5 E6 P10 | A5-C8 PolarHBondContact O-N 2.66Å; A5-C8 VanDerWaalsContact O-N 3.08Å; E6-C8 PolarHBondContact O-N 3.28Å; C8-P10 WeakPolarHBondContact O-CD 3.42Å |
| 9 | S | 75.5 | Confident | 73.2 | Confident | 55 Ų | 55 | 112.7 Ų | 112.7 | 39% | 0.385 | 62% | 0.618 | S | S | . | * | | | trans | -72.6 | 121.1 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | C7 K11 F12 W13 | C7-S9 PolarHBondContact O-N 2.95Å; C7-S9 VanDerWaalsContact O-N 3.13Å; S9-K11 PolarHBondContact O-N 2.97Å; S9-K11 VanDerWaalsContact O-N 3.11Å; S9-F12 WeakPolarHBondContact O-CB 3.4Å; S9-F12 PolarHBondContact O-N 3.08Å; S9-W13 PolarHBondContact O-N 3.13Å |
| 10 | P | 79.8 | Confident | 73.7 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -57.1 | -31.2 | 179.1 | -25.1 | 34 | 0 | 0 | 0 | 112.9 | C8 L14 | C8-P10 WeakPolarHBondContact O-CD 3.42Å; P10-L14 WeakPolarHBondContact O-CB 3.4Å; P10-L14 PolarHBondContact O-N 2.96Å |
| 11 | K | 83.8 | Confident | 74 | Confident | 169 Ų | 169 | 109.7 Ų | 109.7 | 74% | 0.735 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.6 | -38.7 | 175.6 | -79.8 | -173 | 164.5 | 73.4 | 0 | 112.3 | S9 L14 V15 | S9-K11 PolarHBondContact O-N 2.97Å; S9-K11 VanDerWaalsContact O-N 3.11Å; K11-L14 PolarHBondContact O-N 2.86Å; K11-V15 PolarHBondContact O-N 3.35Å; K11-V15 WeakPolarHBondContact O-CG2 3.21Å |
| 12 | F | 83.4 | Confident | 75.6 | Confident | 103 Ų | 103 | 102 Ų | 102 | 45% | 0.452 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.5 | -46.5 | 177.9 | 177.5 | -97.7 | 0 | 0 | 0 | 111 | S9 L14 V15 L16 | S9-F12 WeakPolarHBondContact O-CB 3.4Å; S9-F12 PolarHBondContact O-N 3.08Å; F12-L14 VanDerWaalsContact C-N 3.28Å; F12-L14 PolarHBondContact O-N 3.45Å; F12-V15 PolarHBondContact O-N 2.88Å; F12-L16 HydrophobicContact CE1-CD2 4.39Å; F12-L16 WeakPolarHBondContact O-CB 3.25Å; F12-L16 PolarHBondContact O-N 2.85Å |
| 13 | W | 85.6 | Confident | 76.2 | Confident | 141 Ų | 141 | 94.2 Ų | 94.2 | 53% | 0.534 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.5 | -38.6 | 174.1 | -77.4 | 107.6 | 0 | 0 | 0 | 112.6 | C7 S9 L16 A17 | C7-W13 PolarHBondContact O-NE1 3.23Å; C7-W13 WeakPolarHBondContact SG-CZ2 3.25Å; S9-W13 PolarHBondContact O-N 3.13Å; W13-L16 HydrophobicContact CZ3-CD2 4.18Å; W13-L16 PolarHBondContact O-N 2.79Å; W13-L16 HydrophobicContact CE3-CD2 4.23Å; W13-A17 VanDerWaalsContact O-CB 3.25Å; W13-A17 WeakPolarHBondContact O-CB 3.42Å; W13-A17 PolarHBondContact O-N 2.94Å |
| 14 | L | 89.8 | Confident | 76.1 | Confident | 119 Ų | 119 | 92 Ų | 92 | 62% | 0.623 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -64.9 | -46 | 177.5 | -167.6 | 121.9 | 0 | 0 | 0 | 111.6 | P10 K11 F12 L16 A17 V18 | P10-L14 WeakPolarHBondContact O-CB 3.4Å; P10-L14 PolarHBondContact O-N 2.96Å; K11-L14 PolarHBondContact O-N 2.86Å; F12-L14 VanDerWaalsContact C-N 3.28Å; F12-L14 PolarHBondContact O-N 3.45Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.4Å; L14-A17 PolarHBondContact O-N 3.33Å; L14-V18 PolarHBondContact O-N 2.82Å; L14-V18 WeakPolarHBondContact O-CG2 3.27Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å |
| 15 | V | 89.6 | Confident | 75.9 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 59% | 0.588 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.1 | -43.3 | 175.5 | 173.1 | 0 | 0 | 0 | 0 | 111 | K11 F12 V18 L19 | K11-V15 PolarHBondContact O-N 3.35Å; K11-V15 WeakPolarHBondContact O-CG2 3.21Å; F12-V15 PolarHBondContact O-N 2.88Å; V15-V18 PolarHBondContact O-N 3.49Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 PolarHBondContact O-N 3.01Å; V15-L19 VanDerWaalsContact O-CB 3.3Å |
| 16 | L | 86.1 | Confident | 75.8 | Confident | 74 Ų | 74 | 96.9 Ų | 96.9 | 39% | 0.387 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.5 | -41.5 | 177.8 | -174.9 | 64.7 | 0 | 0 | 0 | 111.9 | F12 W13 L14 L19 A20 | F12-L16 HydrophobicContact CE1-CD2 4.39Å; F12-L16 WeakPolarHBondContact O-CB 3.25Å; F12-L16 PolarHBondContact O-N 2.85Å; W13-L16 HydrophobicContact CZ3-CD2 4.18Å; W13-L16 PolarHBondContact O-N 2.79Å; W13-L16 HydrophobicContact CE3-CD2 4.23Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L16 PolarHBondContact O-N 3.4Å; L16-L19 PolarHBondContact O-N 3.28Å; L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.63Å |
| 17 | A | 87.3 | Confident | 75.7 | Confident | 54 Ų | 54 | 99.7 Ų | 99.7 | 45% | 0.446 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.6 | -45.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | W13 L14 L19 A20 V21 | W13-A17 VanDerWaalsContact O-CB 3.25Å; W13-A17 WeakPolarHBondContact O-CB 3.42Å; W13-A17 PolarHBondContact O-N 2.94Å; L14-A17 PolarHBondContact O-N 3.33Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 PolarHBondContact O-N 3.01Å; A17-A20 PolarHBondContact O-N 3.36Å; A17-V21 WeakPolarHBondContact O-CB 3.38Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.16Å; A17-V21 PolarHBondContact O-N 3.34Å |
| 18 | V | 88.8 | Confident | 75.5 | Confident | 83 Ų | 83 | 103 Ų | 103 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111 | L14 V15 S22 | L14-V18 PolarHBondContact O-N 2.82Å; L14-V18 WeakPolarHBondContact O-CG2 3.27Å; L14-V18 VanDerWaalsContact O-CG2 3.26Å; V15-V18 PolarHBondContact O-N 3.49Å; V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 3.42Å; V18-S22 PolarHBondContact O-OG 2.9Å |
| 19 | L | 86.1 | Confident | 75.1 | Confident | 115 Ų | 115 | 106.6 Ų | 106.6 | 60% | 0.602 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68.4 | -39.8 | 178.4 | -171.5 | 66.5 | 0 | 0 | 0 | 111.9 | V15 L16 A17 G23 | V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 PolarHBondContact O-N 3.01Å; V15-L19 VanDerWaalsContact O-CB 3.3Å; L16-L19 PolarHBondContact O-N 3.28Å; A17-L19 VanDerWaalsContact C-N 3.32Å; A17-L19 PolarHBondContact O-N 3.01Å; L19-G23 WeakPolarHBondContact O-CA 3.24Å; L19-G23 PolarHBondContact O-N 3.38Å |
| 20 | A | 83.9 | Confident | 74.3 | Confident | 52 Ų | 52 | 112.8 Ų | 112.8 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.5 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | L16 A17 S24 | L16-A20 VanDerWaalsContact O-CB 3.24Å; L16-A20 WeakPolarHBondContact O-CB 3.26Å; L16-A20 PolarHBondContact O-N 2.63Å; A17-A20 PolarHBondContact O-N 3.36Å; A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.47Å; A20-S24 PolarHBondContact O-OG 2.79Å |
| 21 | V | 80.3 | Confident | 73.3 | Confident | 110 Ų | 110 | 113.1 Ų | 113.1 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64 | -45.8 | 174.9 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | A17 | A17-V21 WeakPolarHBondContact O-CB 3.38Å; A17-V21 VanDerWaalsContact O-CG2 3.27Å; A17-V21 WeakPolarHBondContact O-CG2 3.16Å; A17-V21 PolarHBondContact O-N 3.34Å |
| 22 | S | 80.3 | Confident | 72.2 | Confident | 79 Ų | 79 | 109.3 Ų | 109.3 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.9 | -41.7 | 179.7 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | V18 | V18-S22 WeakPolarHBondContact O-CB 3.3Å; V18-S22 PolarHBondContact O-N 3.42Å; V18-S22 PolarHBondContact O-OG 2.9Å |
| 23 | G | 65.3 | Low | 71 | Confident | 34 Ų | 34 | 110 Ų | 110 | 35% | 0.351 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -78 | -22.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L19 K25 A26 R27 | L19-G23 WeakPolarHBondContact O-CA 3.24Å; L19-G23 PolarHBondContact O-N 3.38Å; G23-K25 PolarHBondContact O-N 3.05Å; G23-A26 WeakPolarHBondContact O-CA 3.47Å; G23-A26 WeakPolarHBondContact O-CB 3.44Å; G23-A26 PolarHBondContact O-N 3.44Å; G23-R27 VanDerWaalsContact O-N 3.11Å; G23-R27 PolarHBondContact O-N 3.2Å |
| 24 | S | 57.6 | Low | 69.7 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -63.9 | -29.5 | 173.5 | -69.3 | 0 | 0 | 0 | 0 | 112.2 | A20 A26 R27 S28 | A20-S24 WeakPolarHBondContact O-CB 3.36Å; A20-S24 PolarHBondContact O-N 3.47Å; A20-S24 PolarHBondContact O-OG 2.79Å; S24-A26 PolarHBondContact O-N 2.89Å; S24-R27 PolarHBondContact O-N 2.74Å; S24-S28 PolarHBondContact O-N 3.11Å |
| 25 | K | 55.8 | Low | 68.2 | Low | 187 Ų | 187 | 111.1 Ų | 111.1 | 81% | 0.813 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.8 | -6.3 | 171.8 | -165.9 | 174 | 147.2 | 74.7 | 0 | 113.3 | G23 | G23-K25 PolarHBondContact O-N 3.05Å |
| 26 | A | 55.1 | Low | 66.1 | Low | 75 Ų | 75 | 113 Ų | 113 | 62% | 0.62 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -102.3 | -23 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G23 S24 | G23-A26 WeakPolarHBondContact O-CA 3.47Å; G23-A26 WeakPolarHBondContact O-CB 3.44Å; G23-A26 PolarHBondContact O-N 3.44Å; S24-A26 PolarHBondContact O-N 2.89Å |
| 27 | R | 54.3 | Low | 65.1 | Low | 220 Ų | 220 | 115 Ų | 115 | 83% | 0.83 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -87.5 | -15.8 | 179.4 | -152.4 | -171.9 | 156.6 | -162.6 | -7.6 | 113.9 | G23 S24 Q29 | G23-R27 VanDerWaalsContact O-N 3.11Å; G23-R27 PolarHBondContact O-N 3.2Å; S24-R27 PolarHBondContact O-N 2.74Å; R27-Q29 PolarHBondContact O-N 2.93Å |
| 28 | S | 53.1 | Low | 63.9 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 28.6 | 172.1 | -157.5 | 0 | 0 | 0 | 0 | 113.2 | S24 | S24-S28 PolarHBondContact O-N 3.11Š|
| 29 | Q | 56.8 | Low | 62.6 | Low | 176 Ų | 176 | 120.1 Ų | 120.1 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.2 | 15.4 | 172.8 | -150.2 | -172.4 | -48.4 | 0 | 0 | 113.9 | R27 | R27-Q29 PolarHBondContact O-N 2.93Š|
| 30 | K | 57.2 | Low | 61.2 | Low | 186 Ų | 186 | 120.4 Ų | 120.4 | 81% | 0.809 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -124.9 | 16.5 | 175.8 | -165.1 | 132.5 | -180 | -177.2 | 0 | 115.2 | | |
| 31 | S | 59.7 | Low | 59.7 | Low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | -145.2 | 55.7 | 165.2 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | P33 | S31-P33 WeakPolarHBondContact O-CD 3.43Š|
| 32 | A | 60.3 | Low | 58.4 | Low | 89 Ų | 89 | 125.7 Ų | 125.7 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -71.6 | 117.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 104.6 | S34 | A32-S34 PolarHBondContact O-N 2.87Å; A32-S34 VanDerWaalsContact O-N 3.13Å |
| 33 | P | 58.6 | Low | 56.8 | Low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -58 | 122.3 | 166.3 | 25.1 | -29.5 | 0 | 0 | 0 | 106 | S31 I35 | S31-P33 WeakPolarHBondContact O-CD 3.43Å; P33-I35 VanDerWaalsContact C-N 3.27Å; P33-I35 PolarHBondContact O-N 3.13Å |
| 34 | S | 57.2 | Low | 56.2 | Low | 112 Ų | 112 | 136.3 Ų | 136.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | | | trans | -60.9 | 99.8 | 165.7 | -170.5 | 0 | 0 | 0 | 0 | 106.1 | A32 | A32-S34 PolarHBondContact O-N 2.87Å; A32-S34 VanDerWaalsContact O-N 3.13Å |
| 35 | I | 58.3 | Low | 56 | Low | 172 Ų | 172 | 141.3 Ų | 141.3 | 88% | 0.882 | 84% | 0.836 | S | S | * | * | | | trans | -87.7 | 110 | 159.4 | -141.8 | 167.9 | 0 | 0 | 0 | 104.1 | P33 | P33-I35 VanDerWaalsContact C-N 3.27Å; P33-I35 PolarHBondContact O-N 3.13Å |
| 36 | G | 46.1 | Very low | 56.1 | Low | 137 Ų | 137 | 137.1 Ų | 137.1 | 100% | 1.412 | 84% | 0.838 | S | S | * | * | | | trans | 153.2 | 0 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |