| 1 | M | 58 | Low | 69.2 | Low | 244 Ų | 244 | 129.7 Ų | 129.7 | 100% | 1.202 | 77% | 0.77 | S | S | * | * | | | | 0 | 116.6 | 0 | -119.3 | 141.8 | 162.6 | 0 | 0 | 106.1 | A3 | M1-A3 PolarHBondContact O-N 2.81Š|
| 2 | D | 62.5 | Low | 70.2 | Confident | 113 Ų | 113 | 127.7 Ų | 127.7 | 60% | 0.604 | 77% | 0.767 | S | S | * | * | | | trans | -75.8 | 105.3 | -179.9 | -166.1 | -15.2 | 0 | 0 | 0 | 108.3 | A4 L5 | D2-A4 PolarHBondContact O-N 3.34Å; D2-A4 VanDerWaalsContact O-N 3.13Å; D2-A4 WeakPolarHBondContact OD1-CB 3.24Å; D2-A4 PolarHBondContact OD1-N 3.24Å; D2-L5 HydrophobicContact CB-CD1 4.21Å; D2-L5 HydrophobicContact CB-CG 4.4Å; D2-L5 PolarHBondContact O-N 2.95Å |
| 3 | A | 63.2 | Low | 71.3 | Confident | 82 Ų | 82 | 126.8 Ų | 126.8 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -63 | -15.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M1 L5 E6 | M1-A3 PolarHBondContact O-N 2.81Å; A3-L5 VanDerWaalsContact C-N 3.28Å; A3-L5 PolarHBondContact O-N 3.46Å; A3-E6 PolarHBondContact O-N 3.37Å |
| 4 | A | 62.3 | Low | 72.5 | Confident | 87 Ų | 87 | 123.4 Ų | 123.4 | 72% | 0.719 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -76.2 | -12.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D2 | D2-A4 PolarHBondContact O-N 3.34Å; D2-A4 VanDerWaalsContact O-N 3.13Å; D2-A4 WeakPolarHBondContact OD1-CB 3.24Å; D2-A4 PolarHBondContact OD1-N 3.24Å |
| 5 | L | 63.2 | Low | 73.5 | Confident | 149 Ų | 149 | 125.5 Ų | 125.5 | 78% | 0.78 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -92.5 | -8.2 | 176.4 | -67.3 | 174.2 | 0 | 0 | 0 | 113.2 | D2 A3 G7 | D2-L5 HydrophobicContact CB-CD1 4.21Å; D2-L5 HydrophobicContact CB-CG 4.4Å; D2-L5 PolarHBondContact O-N 2.95Å; A3-L5 VanDerWaalsContact C-N 3.28Å; A3-L5 PolarHBondContact O-N 3.46Å; L5-G7 VanDerWaalsContact C-N 3.32Å; L5-G7 PolarHBondContact O-N 2.88Å; L5-G7 VanDerWaalsContact O-N 3.08Å |
| 6 | E | 71.9 | Confident | 74.7 | Confident | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 71% | 0.705 | S | S | * | * | | | trans | -84.8 | 82.7 | 174.5 | -149.7 | 172.5 | -175.3 | 0 | 0 | 108 | A3 | A3-E6 PolarHBondContact O-N 3.37Š|
| 7 | G | 70.7 | Confident | 75.8 | Confident | 48 Ų | 48 | 120.9 Ų | 120.9 | 50% | 0.495 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -53.5 | 159.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L5 | L5-G7 VanDerWaalsContact C-N 3.32Å; L5-G7 PolarHBondContact O-N 2.88Å; L5-G7 VanDerWaalsContact O-N 3.08Å |
| 8 | P | 75.2 | Confident | 76.8 | Confident | 122 Ų | 122 | 116.6 Ų | 116.6 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 143 | 177.7 | 25.3 | -34.1 | 0 | 0 | 0 | 109.7 | | |
| 9 | P | 77.7 | Confident | 77.9 | Confident | 107 Ų | 107 | 114.9 Ų | 114.9 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 148.7 | -179.6 | 23.5 | -33.2 | 0 | 0 | 0 | 110.3 | M11 | P9-M11 PolarHBondContact O-N 2.93Š|
| 10 | P | 78.8 | Confident | 78.7 | Confident | 133 Ų | 133 | 111.8 Ų | 111.8 | 86% | 0.864 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 127.6 | 174.7 | -25.1 | 33.1 | 0 | 0 | 0 | 111 | | |
| 11 | M | 77.9 | Confident | 79.5 | Confident | 171 Ų | 171 | 115.8 Ų | 115.8 | 84% | 0.842 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 134.5 | 177 | -68.7 | -174.7 | -74.1 | 0 | 0 | 110.5 | P9 | P9-M11 PolarHBondContact O-N 2.93Š|
| 12 | S | 81 | Confident | 81.4 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | | | trans | -109.5 | 148.2 | 169.5 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 13 | F | 84.9 | Confident | 82.9 | Confident | 116 Ų | 116 | 110.1 Ų | 110.1 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 136.2 | 174.8 | -65.5 | -88.4 | 0 | 0 | 0 | 109.4 | L31 V33 | F13-L31 HydrophobicContact CB-CB 4.22Å; F13-L31 HydrophobicContact CB-CD1 4.44Å; F13-L31 PolarHBondContact O-N 3.41Å; F13-V33 HydrophobicContact CB-CG2 4.17Å; F13-V33 HydrophobicContact CD2-CG2 3.46Å; F13-V33 VanDerWaalsContact CD2-CG2 3.46Å; F13-V33 HydrophobicContact CE2-CG2 4.1Å; F13-V33 HydrophobicContact CG-CG2 4Å |
| 14 | V | 87.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 113.6 Ų | 113.6 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.3 | 173 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | V28 A29 | V14-V28 HydrophobicContact CB-CB 4.31Å; V14-V28 HydrophobicContact CG2-CB 4.5Å; V14-A29 CarbonylContact C-O 3.55Å; V14-A29 VanDerWaalsContact CA-O 3.31Å; V14-A29 WeakPolarHBondContact CA-O 3.33Å |
| 15 | R | 87.6 | Confident | 85.9 | Confident | 155 Ų | 155 | 113.1 Ų | 113.1 | 59% | 0.585 | 62% | 0.615 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.5 | 165.7 | 178.5 | 176.6 | -78.3 | -176.9 | -6 | 108 | V28 A29 L31 | R15-V28 CarbonylContact O-C 3.53Å; R15-V28 WeakPolarHBondContact O-CA 3.41Å; R15-A29 PolarHBondContact N-O 3.13Å; R15-A29 PolarHBondContact O-N 2.87Å; R15-L31 HydrophobicContact CB-CD1 4.05Å; R15-L31 HydrophobicContact CB-CD2 4.02Å; R15-L31 HydrophobicContact CB-CG 4.09Å |
| 16 | C | 92.1 | Very high | 87.4 | Confident | 74 Ų | 74 | 109.9 Ų | 109.9 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.1 | 167.6 | -62.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 17 | D | 93.7 | Very high | 88.3 | Confident | 99 Ų | 99 | 110.6 Ų | 110.6 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.9 | -27.7 | -179.8 | -66.5 | -29.6 | 0 | 0 | 0 | 112 | R27 A29 | D17-R27 HydrophobicContact CB-CB 4.3Å; D17-R27 PolarHBondContact N-O 3.05Å; D17-A29 WeakPolarHBondContact OD2-CB 3.36Å |
| 18 | S | 94.2 | Very high | 89.4 | Confident | 43 Ų | 43 | 112.2 Ų | 112.2 | 30% | 0.301 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -153 | 155.6 | 174.9 | 63.2 | 0 | 0 | 0 | 0 | 112.1 | P25 T26 R27 | S18-P25 CarbonylContact O-C 3.59Å; S18-P25 WeakPolarHBondContact O-CA 3.48Å; S18-T26 PolarHBondContact O-N 3.22Å; S18-T26 PolarHBondContact O-OG1 3.44Å; S18-T26 PolarHBondContact OG-OG1 2.95Å; S18-R27 PolarHBondContact N-O 3.12Å; S18-R27 WeakPolarHBondContact OG-CB 3.28Å; S18-R27 WeakPolarHBondContact OG-CG 3.2Å; S18-R27 PolarHBondContact OG-N 2.9Å |
| 19 | T | 96.6 | Very high | 90.1 | Very high | 84 Ų | 84 | 108.1 Ų | 108.1 | 52% | 0.515 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.3 | 159 | 174.9 | 57.4 | 0 | 0 | 0 | 0 | 111.8 | R24 | T19-R24 CarbonylContact C-O 3.41Å; T19-R24 WeakPolarHBondContact CA-O 3.47Å; T19-R24 WeakPolarHBondContact CB-O 3.12Å |
| 20 | D | 95.1 | Very high | 90.6 | Very high | 52 Ų | 52 | 107.4 Ų | 107.4 | 28% | 0.278 | 58% | 0.577 | S | S | . | * | | | trans | -79 | 179.3 | 166.7 | 70.6 | 11.1 | 0 | 0 | 0 | 111.6 | R22 G23 R24 T26 | D20-R22 PolarHBondContact O-N 3.15Å; D20-R22 VanDerWaalsContact O-N 3.15Å; D20-R22 VanDerWaalsContact OD1-C 3.29Å; D20-R22 VanDerWaalsContact OD1-CA 3.29Å; D20-R22 WeakPolarHBondContact OD1-CA 3.43Å; D20-R22 WeakPolarHBondContact OD1-CB 3.34Å; D20-R22 PolarHBondContact OD1-N 3.21Å; D20-G23 PolarHBondContact O-N 3.2Å; D20-G23 PolarHBondContact OD1-N 3.22Å; D20-R24 PolarHBondContact N-O 3.22Å; D20-R24 WeakPolarHBondContact OD1-CB 3.31Å; D20-R24 PolarHBondContact OD1-N 3.18Å; D20-R24 WeakPolarHBondContact OD2-CB 3.4Å; D20-T26 HydrophobicContact CB-CG2 3.75Å |
| 21 | E | 95.8 | Very high | 90.9 | Very high | 196 Ų | 196 | 104.8 Ų | 104.8 | 92% | 0.916 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -18.3 | 176.5 | 66 | -170.2 | 120.7 | 0 | 0 | 114.1 | | |
| 22 | R | 96.6 | Very high | 91.1 | Very high | 190 Ų | 190 | 105 Ų | 105 | 72% | 0.717 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 3.6 | 176.8 | -57.5 | -178.2 | 179.6 | -130.2 | 0.8 | 112.2 | D20 R24 | D20-R22 PolarHBondContact O-N 3.15Å; D20-R22 VanDerWaalsContact O-N 3.15Å; D20-R22 VanDerWaalsContact OD1-C 3.29Å; D20-R22 VanDerWaalsContact OD1-CA 3.29Å; D20-R22 WeakPolarHBondContact OD1-CA 3.43Å; D20-R22 WeakPolarHBondContact OD1-CB 3.34Å; D20-R22 PolarHBondContact OD1-N 3.21Å; R22-R24 VanDerWaalsContact C-N 3.35Å; R22-R24 HydrophobicContact CB-CG 4.34Å |
| 23 | G | 94.2 | Very high | 90.7 | Very high | 49 Ų | 49 | 104.1 Ų | 104.1 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | S | Bend | trans | 78.3 | 12.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D20 | D20-G23 PolarHBondContact O-N 3.2Å; D20-G23 PolarHBondContact OD1-N 3.22Å |
| 24 | R | 94.4 | Very high | 89.9 | Confident | 155 Ų | 155 | 105 Ų | 105 | 59% | 0.585 | 56% | 0.559 | S | S | * | * | | | trans | -82.4 | 136.1 | 178.2 | -56.4 | 176.2 | 172 | -179.9 | -3.7 | 110 | T19 D20 R22 T26 | T19-R24 CarbonylContact C-O 3.41Å; T19-R24 WeakPolarHBondContact CA-O 3.47Å; T19-R24 WeakPolarHBondContact CB-O 3.12Å; D20-R24 PolarHBondContact N-O 3.22Å; D20-R24 WeakPolarHBondContact OD1-CB 3.31Å; D20-R24 PolarHBondContact OD1-N 3.18Å; D20-R24 WeakPolarHBondContact OD2-CB 3.4Å; R22-R24 VanDerWaalsContact C-N 3.35Å; R22-R24 HydrophobicContact CB-CG 4.34Å; R24-T26 PolarHBondContact O-N 3.42Å |
| 25 | P | 93.6 | Very high | 89 | Confident | 76 Ų | 76 | 104 Ų | 104 | 49% | 0.494 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.8 | 127 | 176.9 | -23.1 | 33.1 | 0 | 0 | 0 | 111.8 | S18 V28 | S18-P25 CarbonylContact O-C 3.59Å; S18-P25 WeakPolarHBondContact O-CA 3.48Å; P25-V28 HydrophobicContact CB-CG1 3.83Å |
| 26 | T | 94.5 | Very high | 88 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.4 | -25.9 | 174.6 | 49.5 | 0 | 0 | 0 | 0 | 112.1 | S18 D20 R24 | S18-T26 PolarHBondContact O-N 3.22Å; S18-T26 PolarHBondContact O-OG1 3.44Å; S18-T26 PolarHBondContact OG-OG1 2.95Å; D20-T26 HydrophobicContact CB-CG2 3.75Å; R24-T26 PolarHBondContact O-N 3.42Å |
| 27 | R | 92.4 | Very high | 86.8 | Confident | 185 Ų | 185 | 105 Ų | 105 | 70% | 0.698 | 59% | 0.586 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -137.4 | 136.8 | 171.7 | -64.3 | -178.3 | 177.1 | -177.3 | -0.2 | 109.9 | D17 S18 | D17-R27 HydrophobicContact CB-CB 4.3Å; D17-R27 PolarHBondContact N-O 3.05Å; S18-R27 PolarHBondContact N-O 3.12Å; S18-R27 WeakPolarHBondContact OG-CB 3.28Å; S18-R27 WeakPolarHBondContact OG-CG 3.2Å; S18-R27 PolarHBondContact OG-N 2.9Å |
| 28 | V | 92.2 | Very high | 85.4 | Confident | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.3 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | V14 R15 P25 | V14-V28 HydrophobicContact CB-CB 4.31Å; V14-V28 HydrophobicContact CG2-CB 4.5Å; R15-V28 CarbonylContact O-C 3.53Å; R15-V28 WeakPolarHBondContact O-CA 3.41Å; P25-V28 HydrophobicContact CB-CG1 3.83Å |
| 29 | A | 91.5 | Very high | 84 | Confident | 37 Ų | 37 | 116.3 Ų | 116.3 | 31% | 0.306 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | V14 R15 D17 L31 | V14-A29 CarbonylContact C-O 3.55Å; V14-A29 VanDerWaalsContact CA-O 3.31Å; V14-A29 WeakPolarHBondContact CA-O 3.33Å; R15-A29 PolarHBondContact N-O 3.13Å; R15-A29 PolarHBondContact O-N 2.87Å; D17-A29 WeakPolarHBondContact OD2-CB 3.36Å; A29-L31 PolarHBondContact O-N 2.83Å |
| 30 | A | 88.1 | Confident | 82.7 | Confident | 91 Ų | 91 | 123.1 Ų | 123.1 | 75% | 0.752 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.4 | 133 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 31 | L | 84.4 | Confident | 81 | Confident | 79 Ų | 79 | 126.9 Ų | 126.9 | 41% | 0.414 | 67% | 0.666 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.2 | 177.3 | -65 | 175.1 | 0 | 0 | 0 | 109.7 | F13 R15 A29 V33 | F13-L31 HydrophobicContact CB-CB 4.22Å; F13-L31 HydrophobicContact CB-CD1 4.44Å; F13-L31 PolarHBondContact O-N 3.41Å; R15-L31 HydrophobicContact CB-CD1 4.05Å; R15-L31 HydrophobicContact CB-CD2 4.02Å; R15-L31 HydrophobicContact CB-CG 4.09Å; A29-L31 PolarHBondContact O-N 2.83Å; L31-V33 PolarHBondContact O-N 2.93Å |
| 32 | Q | 82.1 | Confident | 79.4 | Confident | 176 Ų | 176 | 120 Ų | 120 | 82% | 0.822 | 65% | 0.648 | S | S | * | * | | | trans | -80.1 | 111.1 | 161.2 | -172.8 | 174.4 | 10.6 | 0 | 0 | 108.2 | V34 | Q32-V34 HydrophobicContact CG-CG2 4.33Å; Q32-V34 PolarHBondContact O-N 3.46Å |
| 33 | V | 71.9 | Confident | 77.4 | Confident | 86 Ų | 86 | 115.1 Ų | 115.1 | 52% | 0.521 | 64% | 0.643 | S | S | . | * | | | trans | -77.3 | 107.6 | 175.9 | -177 | 0 | 0 | 0 | 0 | 108.5 | F13 L31 G35 | F13-V33 HydrophobicContact CB-CG2 4.17Å; F13-V33 HydrophobicContact CD2-CG2 3.46Å; F13-V33 VanDerWaalsContact CD2-CG2 3.46Å; F13-V33 HydrophobicContact CE2-CG2 4.1Å; F13-V33 HydrophobicContact CG-CG2 4Å; L31-V33 PolarHBondContact O-N 2.93Å; V33-G35 VanDerWaalsContact CG1-O 3.28Å; V33-G35 WeakPolarHBondContact CG1-O 3.38Å |
| 34 | V | 69.9 | Low | 75.4 | Confident | 134 Ų | 134 | 117.4 Ų | 117.4 | 81% | 0.812 | 65% | 0.649 | S | S | * | * | | | trans | -95.7 | 103.5 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | Q32 | Q32-V34 HydrophobicContact CG-CG2 4.33Å; Q32-V34 PolarHBondContact O-N 3.46Å |
| 35 | G | 69.1 | Low | 73.6 | Confident | 58 Ų | 58 | 114 Ų | 114 | 60% | 0.598 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 109.4 | 154.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V33 | V33-G35 VanDerWaalsContact CG1-O 3.28Å; V33-G35 WeakPolarHBondContact CG1-O 3.38Å |
| 36 | G | 66 | Low | 71.4 | Confident | 74 Ų | 74 | 116 Ų | 116 | 76% | 0.763 | 66% | 0.664 | S | S | * | * | | | trans | -75.8 | 146.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | R38 | G36-R38 PolarHBondContact O-N 3.49Å; G36-R38 VanDerWaalsContact O-N 3.13Å |
| 37 | F | 67.2 | Low | 69.4 | Low | 177 Ų | 177 | 118.1 Ų | 118.1 | 78% | 0.776 | 67% | 0.673 | S | S | * | * | | | trans | -62.5 | 111.6 | 168.5 | 179.5 | -102.2 | 0 | 0 | 0 | 109.7 | Q39 | F37-Q39 HydrophobicContact CD1-CB 4.11Å; F37-Q39 HydrophobicContact CE1-CB 3.64Å; F37-Q39 HydrophobicContact CE1-CG 4.07Å; F37-Q39 PolarHBondContact O-N 3.45Å |
| 38 | R | 63.9 | Low | 67.6 | Low | 226 Ų | 226 | 115.4 Ų | 115.4 | 85% | 0.853 | 67% | 0.671 | S | S | * | * | | | trans | -90.3 | 95.2 | 170.3 | -76.8 | -158.9 | 153.5 | -121.6 | -5.4 | 109.6 | G36 R40 | G36-R38 PolarHBondContact O-N 3.49Å; G36-R38 VanDerWaalsContact O-N 3.13Å; R38-R40 PolarHBondContact O-N 3.18Å |
| 39 | Q | 63.6 | Low | 66 | Low | 153 Ų | 153 | 119.1 Ų | 119.1 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | | | trans | -61.3 | 100.9 | 168.1 | -166.5 | 175.8 | 10.2 | 0 | 0 | 108.5 | F37 C41 | F37-Q39 HydrophobicContact CD1-CB 4.11Å; F37-Q39 HydrophobicContact CE1-CB 3.64Å; F37-Q39 HydrophobicContact CE1-CG 4.07Å; F37-Q39 PolarHBondContact O-N 3.45Å; Q39-C41 PolarHBondContact O-N 3.13Å |
| 40 | R | 70.7 | Confident | 64.3 | Low | 228 Ų | 228 | 121.9 Ų | 121.9 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | | | trans | -78 | 113.2 | 166.4 | -69 | -174.5 | -178.7 | 177 | 1.1 | 106.2 | R38 G42 | R38-R40 PolarHBondContact O-N 3.18Å; R40-G42 PolarHBondContact O-N 3.02Å |
| 41 | C | 59.7 | Low | 62.7 | Low | 131 Ų | 131 | 125.6 Ų | 125.6 | 89% | 0.885 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -62.6 | 89.3 | 169.9 | -66.5 | 0 | 0 | 0 | 0 | 108.8 | Q39 | Q39-C41 PolarHBondContact O-N 3.13Š|
| 42 | G | 61.2 | Low | 61.2 | Low | 52 Ų | 52 | 125.2 Ų | 125.2 | 54% | 0.536 | 71% | 0.714 | S | S | . | * | S | Bend | trans | -177.9 | 130.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | R40 P44 | R40-G42 PolarHBondContact O-N 3.02Å; G42-P44 VanDerWaalsContact O-CD 3.24Å; G42-P44 WeakPolarHBondContact O-CD 3.29Å |
| 43 | S | 54.8 | Low | 59.7 | Low | 87 Ų | 87 | 122 Ų | 122 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | | | trans | -52.3 | 112.2 | -175 | -165.9 | 0 | 0 | 0 | 0 | 110.6 | A45 | S43-A45 PolarHBondContact O-N 2.98Š|
| 44 | P | 53 | Low | 58.6 | Low | 96 Ų | 96 | 126 Ų | 126 | 62% | 0.623 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -12.1 | -173.3 | 27.5 | -32.3 | 0 | 0 | 0 | 112.6 | G42 V46 L48 | G42-P44 VanDerWaalsContact O-CD 3.24Å; G42-P44 WeakPolarHBondContact O-CD 3.29Å; P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.79Å; P44-L48 HydrophobicContact CB-CD1 4.48Å; P44-L48 WeakPolarHBondContact O-CD1 3.45Å; P44-L48 WeakPolarHBondContact O-CG 3.44Å |
| 45 | A | 55.2 | Low | 57.8 | Low | 84 Ų | 84 | 125.6 Ų | 125.6 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -18.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S43 | S43-A45 PolarHBondContact O-N 2.98Š|
| 46 | V | 48.4 | Very low | 56.8 | Low | 117 Ų | 117 | 131.2 Ų | 131.2 | 71% | 0.709 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -106.4 | -10.3 | -171 | -99.2 | 0 | 0 | 0 | 0 | 115.2 | P44 | P44-V46 VanDerWaalsContact C-N 3.3Å; P44-V46 PolarHBondContact O-N 2.79Å |
| 47 | N | 51.9 | Low | 55.8 | Low | 127 Ų | 127 | 130.6 Ų | 130.6 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -117.4 | 5.1 | -175.9 | -93.7 | -12.3 | 0 | 0 | 0 | 115.3 | | |
| 48 | L | 55.8 | Low | 54.7 | Low | 129 Ų | 129 | 131.4 Ų | 131.4 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -95.2 | -13.5 | -176.2 | -70.4 | 173.4 | 0 | 0 | 0 | 114.8 | P44 S50 | P44-L48 HydrophobicContact CB-CD1 4.48Å; P44-L48 WeakPolarHBondContact O-CD1 3.45Å; P44-L48 WeakPolarHBondContact O-CG 3.44Å; L48-S50 VanDerWaalsContact C-N 3.28Å; L48-S50 PolarHBondContact O-N 3.08Å |
| 49 | L | 57.5 | Low | 54.4 | Low | 159 Ų | 159 | 125.6 Ų | 125.6 | 83% | 0.832 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -74.2 | -19.5 | 176.1 | -72.9 | 167.6 | 0 | 0 | 0 | 113 | | |
| 50 | S | 56.7 | Low | 54 | Low | 96 Ų | 96 | 126.5 Ų | 126.5 | 67% | 0.671 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -87.6 | -6.5 | -174.8 | -52.4 | 0 | 0 | 0 | 0 | 114.7 | L48 | L48-S50 VanDerWaalsContact C-N 3.28Å; L48-S50 PolarHBondContact O-N 3.08Å |
| 51 | H | 54.9 | Low | 53.7 | Low | 168 Ų | 168 | 121.7 Ų | 121.7 | 78% | 0.778 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -129.5 | 16.3 | 179.1 | -66.2 | -64.2 | 0 | 0 | 0 | 113.3 | S53 | H51-S53 PolarHBondContact O-N 3.19Š|
| 52 | A | 52.8 | Low | 54.2 | Low | 71 Ų | 71 | 123.7 Ų | 123.7 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | | | trans | -62 | 104 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | L54 | A52-L54 VanDerWaalsContact C-N 3.28Å; A52-L54 PolarHBondContact O-N 2.81Å |
| 53 | S | 50.2 | Low | 54.3 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | | | trans | -62.9 | 98.6 | 165.3 | 64.8 | 0 | 0 | 0 | 0 | 106.8 | H51 D55 | H51-S53 PolarHBondContact O-N 3.19Å; S53-D55 PolarHBondContact O-N 3.28Å |
| 54 | L | 49.3 | Very low | 54.6 | Low | 172 Ų | 172 | 128 Ų | 128 | 90% | 0.901 | 72% | 0.722 | S | S | * | * | | | trans | -64.8 | 75.6 | 156.5 | -99.1 | 143 | 0 | 0 | 0 | 106.8 | A52 | A52-L54 VanDerWaalsContact C-N 3.28Å; A52-L54 PolarHBondContact O-N 2.81Å |
| 55 | D | 52.6 | Low | 55.1 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | | | trans | -94.2 | 99.8 | 164 | -166.5 | 49.9 | 0 | 0 | 0 | 107.3 | S53 | S53-D55 PolarHBondContact O-N 3.28Š|
| 56 | Q | 48.3 | Very low | 55.2 | Low | 177 Ų | 177 | 133.2 Ų | 133.2 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 54.9 | 109.4 | 155.3 | -61 | -178.8 | 32.2 | 0 | 0 | 119.1 | | |
| 57 | G | 44.3 | Very low | 55.6 | Low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 142.2 | 88.9 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 58 | E | 44.7 | Very low | 55.6 | Low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 74% | 0.74 | S | S | * | * | | | trans | 40.3 | 90.8 | 151.8 | 61.2 | -162.5 | 95.5 | 0 | 0 | 118 | | |
| 59 | S | 56.4 | Low | 55.3 | Low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | trans | -134.1 | 80.9 | 154.5 | -90.3 | 0 | 0 | 0 | 0 | 109.7 | I61 | S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.37Å |
| 60 | E | 55.5 | Low | 55.8 | Low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -74.7 | 92.8 | 155.5 | -174.8 | 176.8 | 108.7 | 0 | 0 | 107.4 | K62 | E60-K62 PolarHBondContact O-N 2.71Š|
| 61 | I | 64.8 | Low | 55.6 | Low | 126 Ų | 126 | 141 Ų | 141 | 65% | 0.646 | 76% | 0.755 | S | S | * | * | | | trans | -84.7 | 89 | 168.5 | -39.3 | 174.1 | 0 | 0 | 0 | 106.9 | S59 F63 | S59-I61 VanDerWaalsContact C-N 3.34Å; S59-I61 PolarHBondContact O-N 3.37Å; I61-F63 HydrophobicContact CB-CE2 4.23Å; I61-F63 HydrophobicContact CG2-CD2 4.06Å; I61-F63 HydrophobicContact CG2-CE2 3.6Å; I61-F63 HydrophobicContact CG2-CZ 4.12Å; I61-F63 PolarHBondContact O-N 3.29Å; I61-F63 VanDerWaalsContact O-N 3.15Å |
| 62 | K | 70.8 | Confident | 55.2 | Low | 174 Ų | 174 | 143.6 Ų | 143.6 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -77.5 | 95.6 | 173.7 | -170.4 | 174.5 | -176.4 | 176.1 | 0 | 109.6 | E60 G64 | E60-K62 PolarHBondContact O-N 2.71Å; K62-G64 PolarHBondContact O-N 2.86Å |
| 63 | F | 63.1 | Low | 55.3 | Low | 179 Ų | 179 | 147.2 Ų | 147.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -68.5 | 111.5 | 164.9 | -74.4 | -89.2 | 0 | 0 | 0 | 108.7 | I61 | I61-F63 HydrophobicContact CB-CE2 4.23Å; I61-F63 HydrophobicContact CG2-CD2 4.06Å; I61-F63 HydrophobicContact CG2-CE2 3.6Å; I61-F63 HydrophobicContact CG2-CZ 4.12Å; I61-F63 PolarHBondContact O-N 3.29Å; I61-F63 VanDerWaalsContact O-N 3.15Å |
| 64 | G | 61.5 | Low | 55.6 | Low | 51 Ų | 51 | 149.3 Ų | 149.3 | 53% | 0.526 | 80% | 0.795 | S | S | . | * | | | trans | -63.3 | 157.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K62 L66 | K62-G64 PolarHBondContact O-N 2.86Å; G64-L66 PolarHBondContact O-N 3.24Å; G64-L66 VanDerWaalsContact O-N 3.12Å |
| 65 | P | 61.6 | Low | 55.9 | Low | 114 Ų | 114 | 148 Ų | 148 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -61.9 | 118.3 | 178.3 | 0.1 | 8.5 | 0 | 0 | 0 | 110.1 | Q67 | P65-Q67 HydrophobicContact CB-CG 4.28Å; P65-Q67 PolarHBondContact O-N 2.87Å |
| 66 | L | 58.1 | Low | 56.1 | Low | 174 Ų | 174 | 149.4 Ų | 149.4 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | | | trans | -69.6 | 95.1 | 168.2 | -72.4 | 169.6 | 0 | 0 | 0 | 108.4 | G64 | G64-L66 PolarHBondContact O-N 3.24Å; G64-L66 VanDerWaalsContact O-N 3.12Å |
| 67 | Q | 57.8 | Low | 56.6 | Low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -116 | 102.3 | 172.5 | -63.8 | -165.4 | 18.7 | 0 | 0 | 110.9 | P65 | P65-Q67 HydrophobicContact CB-CG 4.28Å; P65-Q67 PolarHBondContact O-N 2.87Å |
| 68 | S | 50.7 | Low | 57.4 | Low | 88 Ų | 88 | 153.5 Ų | 153.5 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | | | trans | 61.7 | 95.4 | 143.5 | -159.7 | 0 | 0 | 0 | 0 | 118.6 | R70 | S68-R70 PolarHBondContact O-N 3.15Š|
| 69 | L | 49.1 | Very low | 58.3 | Low | 181 Ų | 181 | 150.6 Ų | 150.6 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | | | trans | -61.9 | 105.6 | 149.1 | -175.4 | 77.4 | 0 | 0 | 0 | 108.9 | | |
| 70 | R | 67.9 | Low | 58.5 | Low | 205 Ų | 205 | 154.2 Ų | 154.2 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | | | trans | -146.2 | 122.3 | 160.8 | -72.7 | -169.2 | -176.7 | 168.8 | 0.9 | 110 | S68 | S68-R70 PolarHBondContact O-N 3.15Š|
| 71 | D | 53.9 | Low | 58.7 | Low | 146 Ų | 146 | 152.7 Ų | 152.7 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | 63.5 | 97.6 | 151.5 | -53.2 | -46.1 | 0 | 0 | 0 | 119.5 | | |
| 72 | T | 45.6 | Very low | 58.2 | Low | 222 Ų | 222 | 155.1 Ų | 155.1 | 100% | 1.362 | 82% | 0.818 | S | S | * | * | | | | -159.3 | 0 | 117.2 | 2.2 | 0 | 0 | 0 | 0 | 110.9 | | |