| 1 | M | 64.9 | Low | 67 | Low | 193 Ų | 193 | 93.8 Ų | 93.8 | 95% | 0.951 | 60% | 0.595 | S | S | * | * | | | | 0 | -47.6 | 0 | -66.9 | -129.4 | -167.3 | 0 | 0 | 113.4 | A4 R5 | M1-A4 PolarHBondContact O-N 3.05Å; M1-R5 PolarHBondContact O-N 2.92Å |
| 2 | C | 70.9 | Confident | 66.4 | Low | 97 Ų | 97 | 89.6 Ų | 89.6 | 66% | 0.655 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.6 | -46.3 | 178.3 | -77.2 | 0 | 0 | 0 | 0 | 114.4 | A4 R5 L6 | C2-A4 PolarHBondContact O-N 3.49Å; C2-A4 VanDerWaalsContact C-N 3.32Å; C2-R5 PolarHBondContact O-N 3.41Å; C2-L6 WeakPolarHBondContact O-CG 3.38Å; C2-L6 PolarHBondContact O-N 2.9Å |
| 3 | A | 67.1 | Low | 66 | Low | 77 Ų | 77 | 87.8 Ų | 87.8 | 64% | 0.636 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -37.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L6 A7 | A3-L6 PolarHBondContact O-N 3.22Å; A3-A7 WeakPolarHBondContact O-CB 3.39Å; A3-A7 PolarHBondContact O-N 3.39Å |
| 4 | A | 69 | Low | 67 | Low | 70 Ų | 70 | 94.1 Ų | 94.1 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -68.5 | -36.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 C2 A8 | M1-A4 PolarHBondContact O-N 3.05Å; C2-A4 PolarHBondContact O-N 3.49Å; C2-A4 VanDerWaalsContact C-N 3.32Å; A4-A8 WeakPolarHBondContact O-CB 3.34Å; A4-A8 PolarHBondContact O-N 2.91Å |
| 5 | R | 68.3 | Low | 68.6 | Low | 181 Ų | 181 | 90.2 Ų | 90.2 | 68% | 0.683 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68 | -39.9 | 173.8 | -74.7 | 179.9 | 174.5 | 163.8 | -1 | 112.1 | M1 C2 A8 A9 | M1-R5 PolarHBondContact O-N 2.92Å; C2-R5 PolarHBondContact O-N 3.41Å; R5-A8 PolarHBondContact O-N 2.96Å; R5-A9 WeakPolarHBondContact O-CB 3.33Å; R5-A9 PolarHBondContact O-N 3.36Å |
| 6 | L | 68.8 | Low | 70.2 | Confident | 124 Ų | 124 | 88.1 Ų | 88.1 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.6 | -42.2 | 175.5 | -74.6 | 160.5 | 0 | 0 | 0 | 111.6 | C2 A3 A9 A10 | C2-L6 WeakPolarHBondContact O-CG 3.38Å; C2-L6 PolarHBondContact O-N 2.9Å; A3-L6 PolarHBondContact O-N 3.22Å; L6-A9 PolarHBondContact O-N 3.22Å; L6-A10 WeakPolarHBondContact O-CB 3.32Å; L6-A10 PolarHBondContact O-N 3.42Å |
| 7 | A | 67.5 | Low | 71.6 | Confident | 61 Ų | 61 | 86.8 Ų | 86.8 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A3 A10 A11 | A3-A7 WeakPolarHBondContact O-CB 3.39Å; A3-A7 PolarHBondContact O-N 3.39Å; A7-A10 PolarHBondContact O-N 3.39Å; A7-A11 WeakPolarHBondContact O-CB 3.34Å; A7-A11 PolarHBondContact O-N 3.18Å |
| 8 | A | 67 | Low | 72.8 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A4 R5 A12 | A4-A8 WeakPolarHBondContact O-CB 3.34Å; A4-A8 PolarHBondContact O-N 2.91Å; R5-A8 PolarHBondContact O-N 2.96Å; A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.88Å |
| 9 | A | 65.9 | Low | 73.9 | Confident | 60 Ų | 60 | 87.2 Ų | 87.2 | 50% | 0.496 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R5 L6 A12 A13 | R5-A9 WeakPolarHBondContact O-CB 3.33Å; R5-A9 PolarHBondContact O-N 3.36Å; L6-A9 PolarHBondContact O-N 3.22Å; A9-A12 PolarHBondContact O-N 3.04Å; A9-A13 WeakPolarHBondContact O-CB 3.46Å; A9-A13 PolarHBondContact O-N 2.92Å |
| 10 | A | 64.9 | Low | 75.1 | Confident | 51 Ų | 51 | 86.5 Ų | 86.5 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L6 A7 A12 A13 Q14 | L6-A10 WeakPolarHBondContact O-CB 3.32Å; L6-A10 PolarHBondContact O-N 3.42Å; A7-A10 PolarHBondContact O-N 3.39Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A13 PolarHBondContact O-N 3.43Å; A10-Q14 WeakPolarHBondContact O-CG 3.36Å; A10-Q14 PolarHBondContact O-N 2.93Å |
| 11 | A | 62.2 | Low | 76.1 | Confident | 56 Ų | 56 | 85.2 Ų | 85.2 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.6 | -35.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A7 Q14 S15 | A7-A11 WeakPolarHBondContact O-CB 3.34Å; A7-A11 PolarHBondContact O-N 3.18Å; A11-Q14 PolarHBondContact O-N 3.46Å; A11-S15 PolarHBondContact O-N 3.21Å |
| 12 | A | 60.8 | Low | 77.7 | Confident | 43 Ų | 43 | 84.1 Ų | 84.1 | 36% | 0.355 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A8 A9 A10 Q14 S15 A18 | A8-A12 WeakPolarHBondContact O-CB 3.45Å; A8-A12 PolarHBondContact O-N 2.88Å; A9-A12 PolarHBondContact O-N 3.04Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A12-Q14 PolarHBondContact O-N 2.97Å; A12-S15 PolarHBondContact O-N 3.41Å; A12-S15 VanDerWaalsContact O-O 3.12Å; A12-A18 WeakPolarHBondContact O-CB 3.44Å |
| 13 | A | 60.3 | Low | 79 | Confident | 66 Ų | 66 | 82.2 Ų | 82.2 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.8 | -19.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A9 A10 | A9-A13 WeakPolarHBondContact O-CB 3.46Å; A9-A13 PolarHBondContact O-N 2.92Å; A10-A13 PolarHBondContact O-N 3.43Å |
| 14 | Q | 79.9 | Confident | 80.4 | Confident | 176 Ų | 176 | 87.4 Ų | 87.4 | 82% | 0.822 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.4 | 174.5 | -71.8 | 174.9 | -18.1 | 0 | 0 | 113.6 | A10 A11 A12 | A10-Q14 WeakPolarHBondContact O-CG 3.36Å; A10-Q14 PolarHBondContact O-N 2.93Å; A11-Q14 PolarHBondContact O-N 3.46Å; A12-Q14 PolarHBondContact O-N 2.97Å |
| 15 | S | 91.1 | Very high | 81.8 | Confident | 36 Ų | 36 | 89.1 Ų | 89.1 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -115.9 | 153.3 | -177.8 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | A11 A12 Y17 A18 F19 | A11-S15 PolarHBondContact O-N 3.21Å; A12-S15 PolarHBondContact O-N 3.41Å; A12-S15 VanDerWaalsContact O-O 3.12Å; S15-Y17 WeakPolarHBondContact OG-CD2 3.12Å; S15-Y17 PolarHBondContact OG-N 3.34Å; S15-Y17 VanDerWaalsContact O-N 3.09Å; S15-Y17 PolarHBondContact O-N 3.09Å; S15-A18 PolarHBondContact O-N 3.09Å; S15-F19 WeakPolarHBondContact O-CE2 3.16Å |
| 16 | V | 94 | Very high | 83.1 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 35% | 0.345 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -57.7 | -22.5 | 171 | -61.3 | 0 | 0 | 0 | 0 | 112.7 | A18 F19 L32 L40 I42 | V16-A18 PolarHBondContact O-N 3.2Å; V16-F19 WeakPolarHBondContact O-CD2 3.38Å; V16-F19 PolarHBondContact O-N 3.38Å; V16-F19 VanDerWaalsContact O-N 3.09Å; V16-L32 HydrophobicContact CB-CD1 4.08Å; V16-L32 WeakPolarHBondContact O-CB 3.33Å; V16-L40 HydrophobicContact CG2-CD1 4.35Å; V16-I42 HydrophobicContact CG1-CD1 4.41Å |
| 17 | Y | 94.1 | Very high | 84.4 | Confident | 66 Ų | 66 | 78.8 Ų | 78.8 | 26% | 0.259 | 51% | 0.512 | S | S | . | . | G | 310 helix | trans | -68.3 | -14.3 | -176.9 | -55.5 | -37.5 | 0 | 0 | 0 | 115 | S15 L32 R36 | S15-Y17 WeakPolarHBondContact OG-CD2 3.12Å; S15-Y17 PolarHBondContact OG-N 3.34Å; S15-Y17 VanDerWaalsContact O-N 3.09Å; S15-Y17 PolarHBondContact O-N 3.09Å; Y17-L32 WeakPolarHBondContact CD1-O 3.35Å; Y17-L32 VanDerWaalsContact CD1-O 3.31Å; Y17-R36 HydrophobicContact CE2-CB 4.37Å; Y17-R36 HydrophobicContact CE2-CG 3.98Å; Y17-R36 HydrophobicContact CE1-CB 4.33Å |
| 18 | A | 93.3 | Very high | 85.8 | Confident | 55 Ų | 55 | 83.3 Ų | 83.3 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | G | 310 helix | trans | -77.7 | -8.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A12 S15 V16 | A12-A18 WeakPolarHBondContact O-CB 3.44Å; S15-A18 PolarHBondContact O-N 3.09Å; V16-A18 PolarHBondContact O-N 3.2Å |
| 19 | F | 94.6 | Very high | 87.3 | Confident | 126 Ų | 126 | 82.8 Ų | 82.8 | 55% | 0.553 | 51% | 0.514 | S | S | * | . | | | trans | -105.2 | 155.2 | -174.5 | -55.6 | -83.7 | 0 | 0 | 0 | 112.2 | S15 V16 L32 | S15-F19 WeakPolarHBondContact O-CE2 3.16Å; V16-F19 WeakPolarHBondContact O-CD2 3.38Å; V16-F19 PolarHBondContact O-N 3.38Å; V16-F19 VanDerWaalsContact O-N 3.09Å; F19-L32 HydrophobicContact CB-CD1 4.3Å; F19-L32 PolarHBondContact O-N 2.99Å |
| 20 | S | 96.6 | Very high | 88.8 | Confident | 73 Ų | 73 | 83.4 Ų | 83.4 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 157 | 169.3 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | V30 | S20-V30 WeakPolarHBondContact CA-O 3.46Å; S20-V30 VanDerWaalsContact CB-O 3.24Å; S20-V30 WeakPolarHBondContact CB-O 3.24Å |
| 21 | A | 97.5 | Very high | 90.3 | Very high | 60 Ų | 60 | 83.7 Ų | 83.7 | 50% | 0.496 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P29 V30 | A21-P29 WeakPolarHBondContact O-CA 3.31Å; A21-V30 PolarHBondContact O-N 3.3Å; A21-V30 VanDerWaalsContact N-O 3.09Å; A21-V30 PolarHBondContact N-O 3.33Å |
| 22 | R | 98.1 | Very high | 92 | Very high | 170 Ų | 170 | 83.1 Ų | 83.1 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | | | trans | -81.5 | 135.2 | 174.6 | -72.5 | -174.5 | -173.4 | -86.4 | 2.4 | 110.1 | G27 P29 | R22-G27 PolarHBondContact NH1-O 3.18Å; R22-P29 HydrophobicContact CG-CG 4.15Å |
| 23 | P | 97.9 | Very high | 93.7 | Very high | 56 Ų | 56 | 82.3 Ų | 82.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | | | trans | -61.4 | 156.6 | 173.5 | -22.3 | 33.5 | 0 | 0 | 0 | 112.5 | A25 G26 E28 V30 | P23-A25 VanDerWaalsContact C-N 3.26Å; P23-A25 PolarHBondContact O-N 2.99Å; P23-G26 WeakPolarHBondContact O-CA 3.47Å; P23-G26 PolarHBondContact O-N 3.19Å; P23-E28 WeakPolarHBondContact CD-O 3.31Å; P23-V30 HydrophobicContact CG-CG2 3.88Å |
| 24 | L | 97.1 | Very high | 95.4 | Very high | 187 Ų | 187 | 83.3 Ų | 83.3 | 98% | 0.979 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -38.7 | 176.5 | 179.6 | 63 | 0 | 0 | 0 | 112.5 | G26 | L24-G26 PolarHBondContact O-N 3.03Å; L24-G26 VanDerWaalsContact O-N 3.12Å |
| 25 | A | 97.7 | Very high | 96.3 | Very high | 106 Ų | 106 | 78 Ų | 78 | 88% | 0.876 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | 1.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P23 | P23-A25 VanDerWaalsContact C-N 3.26Å; P23-A25 PolarHBondContact O-N 2.99Å |
| 26 | G | 95.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 85.6 Ų | 85.6 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | | | trans | 80.9 | -166.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P23 L24 | P23-G26 WeakPolarHBondContact O-CA 3.47Å; P23-G26 PolarHBondContact O-N 3.19Å; L24-G26 PolarHBondContact O-N 3.03Å; L24-G26 VanDerWaalsContact O-N 3.12Å |
| 27 | G | 95.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 86.4 Ų | 86.4 | 51% | 0.505 | 52% | 0.518 | S | S | . | . | | | trans | 95.4 | -162.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | R22 | R22-G27 PolarHBondContact NH1-O 3.18Š|
| 28 | E | 97.6 | Very high | 96.8 | Very high | 156 Ų | 156 | 90.3 Ų | 90.3 | 73% | 0.729 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -65.5 | 140.7 | -176 | -72.7 | -55.3 | 127.1 | 0 | 0 | 112.2 | P23 V30 | P23-E28 WeakPolarHBondContact CD-O 3.31Å; E28-V30 PolarHBondContact O-N 3.21Å |
| 29 | P | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 94.9 Ų | 94.9 | 34% | 0.338 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 132.9 | 173.8 | -22.5 | 33.7 | 0 | 0 | 0 | 111.9 | A21 R22 | A21-P29 WeakPolarHBondContact O-CA 3.31Å; R22-P29 HydrophobicContact CG-CG 4.15Å |
| 30 | V | 97.6 | Very high | 97.2 | Very high | 73 Ų | 73 | 91.9 Ų | 91.9 | 44% | 0.442 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 122.3 | 174 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | S20 A21 P23 E28 | S20-V30 WeakPolarHBondContact CA-O 3.46Å; S20-V30 VanDerWaalsContact CB-O 3.24Å; S20-V30 WeakPolarHBondContact CB-O 3.24Å; A21-V30 PolarHBondContact O-N 3.3Å; A21-V30 VanDerWaalsContact N-O 3.09Å; A21-V30 PolarHBondContact N-O 3.33Å; P23-V30 HydrophobicContact CG-CG2 3.88Å; E28-V30 PolarHBondContact O-N 3.21Å |
| 31 | S | 97.1 | Very high | 97.3 | Very high | 56 Ų | 56 | 95.3 Ų | 95.3 | 39% | 0.392 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.5 | 173.2 | 176.4 | 0 | 0 | 0 | 0 | 110.5 | G33 S34 | S31-G33 PolarHBondContact OG-N 3.23Å; S31-G33 VanDerWaalsContact OG-N 3.13Å; S31-G33 PolarHBondContact O-N 2.85Å; S31-S34 WeakPolarHBondContact O-CB 3.45Å; S31-S34 PolarHBondContact O-N 3.4Å; S31-S34 PolarHBondContact O-OG 2.71Å |
| 32 | L | 97 | Very high | 97.3 | Very high | 44 Ų | 44 | 98.1 Ų | 98.1 | 23% | 0.23 | 57% | 0.565 | C | S | . | * | G | 310 helix | trans | -65.6 | -19.2 | 172.5 | -61.5 | -175.6 | 0 | 0 | 0 | 112 | V16 Y17 F19 S34 L35 | V16-L32 HydrophobicContact CB-CD1 4.08Å; V16-L32 WeakPolarHBondContact O-CB 3.33Å; Y17-L32 WeakPolarHBondContact CD1-O 3.35Å; Y17-L32 VanDerWaalsContact CD1-O 3.31Å; F19-L32 HydrophobicContact CB-CD1 4.3Å; F19-L32 PolarHBondContact O-N 2.99Å; L32-S34 PolarHBondContact O-N 3.13Å; L32-L35 HydrophobicContact CD2-CD1 4.41Å; L32-L35 WeakPolarHBondContact O-CB 3.14Å; L32-L35 PolarHBondContact O-N 2.76Å |
| 33 | G | 96.3 | Very high | 97.3 | Very high | 27 Ų | 27 | 96.5 Ų | 96.5 | 28% | 0.278 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -57.9 | -26.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S31 L35 R36 | S31-G33 PolarHBondContact OG-N 3.23Å; S31-G33 VanDerWaalsContact OG-N 3.13Å; S31-G33 PolarHBondContact O-N 2.85Å; G33-L35 PolarHBondContact O-N 3.12Å; G33-R36 PolarHBondContact O-N 3.09Å |
| 34 | S | 97.1 | Very high | 97.3 | Very high | 86 Ų | 86 | 101.6 Ų | 101.6 | 60% | 0.601 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -63.9 | -17.4 | 175.1 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | S31 L32 | S31-S34 WeakPolarHBondContact O-CB 3.45Å; S31-S34 PolarHBondContact O-N 3.4Å; S31-S34 PolarHBondContact O-OG 2.71Å; L32-S34 PolarHBondContact O-N 3.13Å |
| 35 | L | 97.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 98.9 Ų | 98.9 | 34% | 0.34 | 58% | 0.58 | S | S | . | * | G | 310 helix | trans | -98.1 | 12.7 | -177.2 | -58.5 | 174.3 | 0 | 0 | 0 | 113.3 | L32 G33 G37 K38 L40 | L32-L35 HydrophobicContact CD2-CD1 4.41Å; L32-L35 WeakPolarHBondContact O-CB 3.14Å; L32-L35 PolarHBondContact O-N 2.76Å; G33-L35 PolarHBondContact O-N 3.12Å; L35-G37 PolarHBondContact O-N 2.92Å; L35-K38 VanDerWaalsContact O-CB 3.31Å; L35-K38 WeakPolarHBondContact O-CB 3.45Å; L35-K38 PolarHBondContact O-N 3.3Å; L35-L40 HydrophobicContact CB-CD1 4.22Å; L35-L40 HydrophobicContact CB-CD2 4.08Å; L35-L40 HydrophobicContact CD1-CD1 4.11Å; L35-L40 HydrophobicContact CD1-CD2 3.81Å |
| 36 | R | 96.3 | Very high | 97.3 | Very high | 196 Ų | 196 | 98.6 Ų | 98.6 | 74% | 0.74 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | 131.3 | 178.7 | -169.1 | 179 | -172.4 | 107.5 | -0.6 | 111.1 | Y17 G33 | Y17-R36 HydrophobicContact CE2-CB 4.37Å; Y17-R36 HydrophobicContact CE2-CG 3.98Å; Y17-R36 HydrophobicContact CE1-CB 4.33Å; G33-R36 PolarHBondContact O-N 3.09Å |
| 37 | G | 96.2 | Very high | 97.3 | Very high | 74 Ų | 74 | 102.8 Ų | 102.8 | 76% | 0.763 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.1 | 2.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L35 | L35-G37 PolarHBondContact O-N 2.92Š|
| 38 | K | 98.3 | Very high | 96.9 | Very high | 147 Ų | 147 | 112.5 Ų | 112.5 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -101.1 | 150.3 | 167.4 | -56.6 | -58 | -172.7 | -178.5 | 0 | 110.8 | L35 L40 | L35-K38 VanDerWaalsContact O-CB 3.31Å; L35-K38 WeakPolarHBondContact O-CB 3.45Å; L35-K38 PolarHBondContact O-N 3.3Å; K38-L40 HydrophobicContact CB-CD2 4.12Å |
| 39 | V | 97.9 | Very high | 96.8 | Very high | 151 Ų | 151 | 110.3 Ų | 110.3 | 92% | 0.915 | 64% | 0.635 | S | S | * | * | | | trans | -83.4 | 130.5 | 164.8 | 177 | 0 | 0 | 0 | 0 | 107.5 | | |
| 40 | L | 97.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 113.4 Ų | 113.4 | 34% | 0.335 | 65% | 0.651 | S | S | . | * | | | trans | -116.6 | 130.1 | -177.1 | -55.5 | -178.4 | 0 | 0 | 0 | 109.9 | V16 L35 K38 | V16-L40 HydrophobicContact CG2-CD1 4.35Å; L35-L40 HydrophobicContact CB-CD1 4.22Å; L35-L40 HydrophobicContact CB-CD2 4.08Å; L35-L40 HydrophobicContact CD1-CD1 4.11Å; L35-L40 HydrophobicContact CD1-CD2 3.81Å; K38-L40 HydrophobicContact CB-CD2 4.12Å |
| 41 | L | 98.2 | Very high | 96.7 | Very high | 145 Ų | 145 | 115.6 Ų | 115.6 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | | | trans | -103.8 | 127.1 | 162.1 | -178.3 | 63.9 | 0 | 0 | 0 | 107.4 | E43 | L41-E43 WeakPolarHBondContact CD2-OE1 3.41Å; L41-E43 HydrophobicContact CG-CG 4.19Å |
| 42 | I | 97.7 | Very high | 96.7 | Very high | 119 Ų | 119 | 119.1 Ų | 119.1 | 61% | 0.61 | 68% | 0.678 | S | S | * | * | | | trans | -119.6 | 122.6 | -178.1 | -61.5 | 170.4 | 0 | 0 | 0 | 107.6 | V16 | V16-I42 HydrophobicContact CG1-CD1 4.41Š|
| 43 | E | 98.3 | Very high | 96.7 | Very high | 136 Ų | 136 | 123.8 Ų | 123.8 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | | | trans | -125.8 | 139.7 | -177.2 | -62.8 | -176.8 | 177.4 | 0 | 0 | 110.7 | L41 | L41-E43 WeakPolarHBondContact CD2-OE1 3.41Å; L41-E43 HydrophobicContact CG-CG 4.19Å |
| 44 | N | 97.6 | Very high | 96.7 | Very high | 163 Ų | 163 | 130.3 Ų | 130.3 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | | | trans | -83.4 | 124 | 165.5 | 62.8 | -73.1 | 0 | 0 | 0 | 108.9 | | |
| 45 | V | 97.6 | Very high | 96.7 | Very high | 130 Ų | 130 | 133.4 Ų | 133.4 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | | | trans | -111.2 | 155.8 | -178.3 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 46 | A | 97.4 | Very high | 96.6 | Very high | 99 Ų | 99 | 138.7 Ų | 138.7 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -147.5 | 148.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 47 | S | 95.9 | Very high | 96.6 | Very high | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 78% | 0.778 | S | S | * | * | | | trans | -97 | 151 | 173.2 | -57 | 0 | 0 | 0 | 0 | 110.5 | | |
| 48 | L | 86.9 | Confident | 96.7 | Very high | 253 Ų | 253 | 139.4 Ų | 139.4 | 100% | 1.325 | 78% | 0.78 | S | S | * | * | | | trans | -88.5 | 0 | 174.2 | -71.7 | 167.3 | 0 | 0 | 0 | 111.9 | | |