| 1 | M | 32.8 | Very low | 41.1 | Very low | 246 Ų | 246 | 123.9 Ų | 123.9 | 100% | 1.212 | 67% | 0.667 | S | S | * | * | | | | 0 | 102.6 | 0 | -86.3 | 176.4 | 169.6 | 0 | 0 | 106.5 | | |
| 2 | E | 26.4 | Very low | 42 | Very low | 177 Ų | 177 | 121.1 Ų | 121.1 | 83% | 0.827 | 69% | 0.689 | S | S | * | * | | | trans | -111.9 | 108.3 | 174.1 | -69.4 | -169.2 | 134.4 | 0 | 0 | 107.7 | L4 | E2-L4 PolarHBondContact O-N 2.95Š|
| 3 | L | 32.7 | Very low | 42.7 | Very low | 149 Ų | 149 | 114.2 Ų | 114.2 | 78% | 0.78 | 66% | 0.661 | S | S | * | * | | | trans | -86.5 | 95.7 | 166.3 | -74.8 | 166.2 | 0 | 0 | 0 | 106.5 | F5 | L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 3.89Å; L3-F5 HydrophobicContact CB-CE2 3.7Å; L3-F5 HydrophobicContact CD1-CE2 4.21Å; L3-F5 HydrophobicContact CG-CE2 4.41Å; L3-F5 PolarHBondContact O-N 3.38Å |
| 4 | L | 33.5 | Very low | 42.8 | Very low | 158 Ų | 158 | 108.1 Ų | 108.1 | 83% | 0.827 | 63% | 0.629 | S | S | * | * | | | trans | -66.5 | 93 | 172.3 | -72.9 | 165.1 | 0 | 0 | 0 | 108.7 | E2 G6 | E2-L4 PolarHBondContact O-N 2.95Å; L4-G6 PolarHBondContact O-N 3.42Å |
| 5 | F | 40 | Very low | 43.2 | Very low | 175 Ų | 175 | 103.5 Ų | 103.5 | 77% | 0.768 | 60% | 0.6 | S | S | * | * | | | trans | -86.8 | 103.1 | 170 | -83.4 | -83 | 0 | 0 | 0 | 109.4 | L3 S7 | L3-F5 VanDerWaalsContact C-N 3.34Å; L3-F5 HydrophobicContact CB-CD2 3.89Å; L3-F5 HydrophobicContact CB-CE2 3.7Å; L3-F5 HydrophobicContact CD1-CE2 4.21Å; L3-F5 HydrophobicContact CG-CE2 4.41Å; L3-F5 PolarHBondContact O-N 3.38Å; F5-S7 PolarHBondContact O-N 3.14Å |
| 6 | G | 48 | Very low | 43.6 | Very low | 25 Ų | 25 | 102.1 Ų | 102.1 | 26% | 0.258 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 128.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | L4 L8 L18 S19 | L4-G6 PolarHBondContact O-N 3.42Å; G6-L8 PolarHBondContact O-N 2.71Å; G6-L18 CarbonylContact C-O 3.56Å; G6-L18 WeakPolarHBondContact CA-O 3.16Å; G6-S19 VanDerWaalsContact CA-OG 3.27Å; G6-S19 WeakPolarHBondContact CA-OG 3.41Å |
| 7 | S | 46.7 | Very low | 43.9 | Very low | 82 Ų | 82 | 99.4 Ų | 99.4 | 57% | 0.573 | 57% | 0.57 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.2 | 176.7 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | F5 L18 | F5-S7 PolarHBondContact O-N 3.14Å; S7-L18 PolarHBondContact N-O 3.47Å; S7-L18 WeakPolarHBondContact O-CA 3.41Å; S7-L18 WeakPolarHBondContact O-CB 3.15Å; S7-L18 PolarHBondContact O-N 3.31Å |
| 8 | L | 48 | Very low | 44.3 | Very low | 112 Ų | 112 | 99.7 Ų | 99.7 | 59% | 0.586 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.1 | 174.8 | -65.4 | 169.9 | 0 | 0 | 0 | 108.7 | G6 L15 F16 V17 | G6-L8 PolarHBondContact O-N 2.71Å; L8-L15 HydrophobicContact CB-CD1 4.14Å; L8-L15 HydrophobicContact CD2-CD1 4.28Å; L8-L15 HydrophobicContact CD2-CD2 4.38Å; L8-L15 HydrophobicContact CD2-CG 4.33Å; L8-F16 CarbonylContact C-O 3.58Å; L8-F16 WeakPolarHBondContact CA-O 3.27Å; L8-V17 HydrophobicContact CD2-CB 3.98Å; L8-V17 HydrophobicContact CD2-CG1 3.87Å; L8-V17 HydrophobicContact CD2-CG2 3.5Å |
| 9 | A | 50.5 | Low | 44.3 | Very low | 37 Ų | 37 | 97.4 Ų | 97.4 | 31% | 0.306 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 128.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | F16 L18 | A9-F16 HydrophobicContact CB-CB 4.46Å; A9-F16 PolarHBondContact N-O 2.72Å; A9-F16 PolarHBondContact O-N 3.48Å; A9-L18 HydrophobicContact CB-CD1 3.99Å |
| 10 | L | 46.9 | Very low | 44.2 | Very low | 118 Ų | 118 | 95.4 Ų | 95.4 | 62% | 0.618 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 118.2 | 174.8 | -79.5 | 164.1 | 0 | 0 | 0 | 109.5 | S14 L15 L31 | L10-S14 WeakPolarHBondContact CA-O 3.29Å; L10-L15 HydrophobicContact CD2-CB 4.13Å; L10-L15 HydrophobicContact CD2-CD1 3.73Å; L10-L15 HydrophobicContact CG-CD1 3.9Å; L10-L31 HydrophobicContact CD2-CD2 3.76Å; L10-L31 HydrophobicContact CD2-CG 4.39Å |
| 11 | S | 46.1 | Very low | 44.1 | Very low | 84 Ų | 84 | 97.8 Ų | 97.8 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -136.6 | 126.9 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | G13 S14 | S11-G13 PolarHBondContact O-N 3.4Å; S11-S14 PolarHBondContact N-O 3.49Å; S11-S14 VanDerWaalsContact N-O 3.14Å; S11-S14 PolarHBondContact O-N 2.9Å |
| 12 | G | 52.2 | Low | 44.4 | Very low | 90 Ų | 90 | 92.5 Ų | 92.5 | 93% | 0.928 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | 19.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 13 | G | 51 | Low | 45.2 | Very low | 31 Ų | 31 | 87.6 Ų | 87.6 | 32% | 0.32 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 11.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S11 L31 | S11-G13 PolarHBondContact O-N 3.4Å; G13-L31 PolarHBondContact O-N 3.47Å |
| 14 | S | 44.7 | Very low | 45.5 | Very low | 30 Ų | 30 | 87.2 Ų | 87.2 | 21% | 0.21 | 54% | 0.544 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.7 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 111 | L10 S11 F16 P28 | L10-S14 WeakPolarHBondContact CA-O 3.29Å; S11-S14 PolarHBondContact N-O 3.49Å; S11-S14 VanDerWaalsContact N-O 3.14Å; S11-S14 PolarHBondContact O-N 2.9Å; S14-F16 VanDerWaalsContact CB-CE2 3.46Å; S14-P28 VanDerWaalsContact CB-CB 3.5Å; S14-P28 VanDerWaalsContact OG-CB 3.25Å; S14-P28 WeakPolarHBondContact OG-CB 3.42Å |
| 15 | L | 48.4 | Very low | 45.6 | Very low | 38 Ų | 38 | 91.3 Ų | 91.3 | 20% | 0.199 | 55% | 0.548 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.1 | 174.3 | -173.8 | 75.6 | 0 | 0 | 0 | 109.4 | L8 L10 V34 | L8-L15 HydrophobicContact CB-CD1 4.14Å; L8-L15 HydrophobicContact CD2-CD1 4.28Å; L8-L15 HydrophobicContact CD2-CD2 4.38Å; L8-L15 HydrophobicContact CD2-CG 4.33Å; L10-L15 HydrophobicContact CD2-CB 4.13Å; L10-L15 HydrophobicContact CD2-CD1 3.73Å; L10-L15 HydrophobicContact CG-CD1 3.9Å; L15-V34 HydrophobicContact CD2-CG2 4.3Å |
| 16 | F | 49.8 | Very low | 45.7 | Very low | 82 Ų | 82 | 86.2 Ų | 86.2 | 36% | 0.36 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 125.3 | 174.9 | -63 | -83.4 | 0 | 0 | 0 | 109.4 | L8 A9 S14 P28 | L8-F16 CarbonylContact C-O 3.58Å; L8-F16 WeakPolarHBondContact CA-O 3.27Å; A9-F16 HydrophobicContact CB-CB 4.46Å; A9-F16 PolarHBondContact N-O 2.72Å; A9-F16 PolarHBondContact O-N 3.48Å; S14-F16 VanDerWaalsContact CB-CE2 3.46Å; F16-P28 HydrophobicContact CZ-CB 4.43Å |
| 17 | V | 49.4 | Very low | 45.4 | Very low | 55 Ų | 55 | 89.4 Ų | 89.4 | 33% | 0.333 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 104.2 | 175.1 | -167.8 | 0 | 0 | 0 | 0 | 108.4 | L8 S19 V26 | L8-V17 HydrophobicContact CD2-CB 3.98Å; L8-V17 HydrophobicContact CD2-CG1 3.87Å; L8-V17 HydrophobicContact CD2-CG2 3.5Å; V17-S19 VanDerWaalsContact CG1-OG 3.29Å; V17-S19 WeakPolarHBondContact CG1-OG 3.33Å; V17-S19 PolarHBondContact O-N 2.98Å; V17-V26 HydrophobicContact CB-CG2 4.43Å |
| 18 | L | 50.6 | Low | 45.4 | Very low | 105 Ų | 105 | 89 Ų | 89 | 55% | 0.55 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 81.5 | 175.7 | -58.8 | 171.1 | 0 | 0 | 0 | 108.2 | G6 S7 A9 | G6-L18 CarbonylContact C-O 3.56Å; G6-L18 WeakPolarHBondContact CA-O 3.16Å; S7-L18 PolarHBondContact N-O 3.47Å; S7-L18 WeakPolarHBondContact O-CA 3.41Å; S7-L18 WeakPolarHBondContact O-CB 3.15Å; S7-L18 PolarHBondContact O-N 3.31Å; A9-L18 HydrophobicContact CB-CD1 3.99Å |
| 19 | S | 43.7 | Very low | 45.5 | Very low | 57 Ų | 57 | 87.5 Ų | 87.5 | 40% | 0.399 | 54% | 0.537 | S | S | . | . | | | trans | -114 | 112 | 170.1 | -22.3 | 0 | 0 | 0 | 0 | 109.6 | G6 V17 | G6-S19 VanDerWaalsContact CA-OG 3.27Å; G6-S19 WeakPolarHBondContact CA-OG 3.41Å; V17-S19 VanDerWaalsContact CG1-OG 3.29Å; V17-S19 WeakPolarHBondContact CG1-OG 3.33Å; V17-S19 PolarHBondContact O-N 2.98Å |
| 20 | G | 41.7 | Very low | 45.1 | Very low | 56 Ų | 56 | 88.6 Ų | 88.6 | 58% | 0.577 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 67.7 | 175.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | D22 | G20-D22 PolarHBondContact O-N 2.68Å; G20-D22 VanDerWaalsContact O-N 3.14Å |
| 21 | P | 42.4 | Very low | 45.1 | Very low | 146 Ų | 146 | 86.9 Ų | 86.9 | 95% | 0.948 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -67.7 | -12.1 | -168.1 | 26.5 | -34.4 | 0 | 0 | 0 | 114.9 | | |
| 22 | D | 39.8 | Very low | 45.1 | Very low | 136 Ų | 136 | 92.6 Ų | 92.6 | 73% | 0.727 | 54% | 0.542 | S | S | * | . | | | trans | -97.7 | 78.2 | 165.2 | -91.7 | -62.5 | 0 | 0 | 0 | 108.8 | G20 L24 | G20-D22 PolarHBondContact O-N 2.68Å; G20-D22 VanDerWaalsContact O-N 3.14Å; D22-L24 PolarHBondContact O-N 2.84Å |
| 23 | A | 43.2 | Very low | 44.8 | Very low | 74 Ų | 74 | 93.5 Ų | 93.5 | 61% | 0.612 | 52% | 0.522 | S | S | * | . | | | trans | -66.8 | 72.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | R25 | A23-R25 PolarHBondContact O-N 2.84Š|
| 24 | L | 38.2 | Very low | 44.7 | Very low | 141 Ų | 141 | 94.4 Ų | 94.4 | 74% | 0.738 | 52% | 0.522 | S | S | * | . | | | trans | -50.5 | 112.5 | 162.4 | -90.1 | 158.3 | 0 | 0 | 0 | 105.4 | D22 V26 | D22-L24 PolarHBondContact O-N 2.84Å; L24-V26 WeakPolarHBondContact O-CG2 3.46Å; L24-V26 PolarHBondContact O-N 3.07Å |
| 25 | R | 36.1 | Very low | 44.8 | Very low | 243 Ų | 243 | 95 Ų | 95 | 92% | 0.917 | 53% | 0.528 | S | S | * | . | | | trans | -58.3 | 82.3 | 174.1 | -73.6 | -178.3 | 171.9 | -176.1 | -1.6 | 108.3 | A23 S27 | A23-R25 PolarHBondContact O-N 2.84Å; R25-S27 PolarHBondContact O-N 3.1Å; R25-S27 VanDerWaalsContact O-N 3.1Å |
| 26 | V | 41.3 | Very low | 44.6 | Very low | 68 Ų | 68 | 99.2 Ų | 99.2 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | | | trans | -74.7 | 107.5 | 173.6 | -153.3 | 0 | 0 | 0 | 0 | 104.7 | V17 L24 | V17-V26 HydrophobicContact CB-CG2 4.43Å; L24-V26 WeakPolarHBondContact O-CG2 3.46Å; L24-V26 PolarHBondContact O-N 3.07Å |
| 27 | S | 42.7 | Very low | 44.4 | Very low | 92 Ų | 92 | 101.5 Ų | 101.5 | 64% | 0.643 | 57% | 0.566 | S | S | * | * | | | trans | -42.5 | 141.8 | 175.8 | -80.2 | 0 | 0 | 0 | 0 | 110.2 | R25 L29 | R25-S27 PolarHBondContact O-N 3.1Å; R25-S27 VanDerWaalsContact O-N 3.1Å; S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 2.74Å |
| 28 | P | 46.9 | Very low | 44.2 | Very low | 74 Ų | 74 | 102.9 Ų | 102.9 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | | | trans | -58.4 | 99 | 178.7 | 24.7 | -33.2 | 0 | 0 | 0 | 108.9 | S14 F16 S30 | S14-P28 VanDerWaalsContact CB-CB 3.5Å; S14-P28 VanDerWaalsContact OG-CB 3.25Å; S14-P28 WeakPolarHBondContact OG-CB 3.42Å; F16-P28 HydrophobicContact CZ-CB 4.43Å; P28-S30 VanDerWaalsContact C-N 3.33Å; P28-S30 PolarHBondContact O-N 2.84Å |
| 29 | L | 49.2 | Very low | 43.9 | Very low | 80 Ų | 80 | 106.1 Ų | 106.1 | 42% | 0.419 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -67.3 | 101.7 | 167.2 | -89.4 | 157.1 | 0 | 0 | 0 | 105 | S27 L31 H33 | S27-L29 VanDerWaalsContact C-N 3.33Å; S27-L29 PolarHBondContact O-N 2.74Å; L29-L31 PolarHBondContact O-N 3.49Å; L29-H33 HydrophobicContact CD2-CB 3.7Å |
| 30 | S | 43.6 | Very low | 43.7 | Very low | 60 Ų | 60 | 106.3 Ų | 106.3 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -47.2 | 129.1 | 170.4 | 177.3 | 0 | 0 | 0 | 0 | 108 | P28 R32 H33 | P28-S30 VanDerWaalsContact C-N 3.33Å; P28-S30 PolarHBondContact O-N 2.84Å; S30-R32 PolarHBondContact O-N 3.13Å; S30-H33 PolarHBondContact O-N 3.43Å |
| 31 | L | 46.9 | Very low | 43.8 | Very low | 83 Ų | 83 | 107.9 Ų | 107.9 | 44% | 0.435 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -46.1 | -20.7 | -178.6 | -79.7 | 169.4 | 0 | 0 | 0 | 114.7 | L10 G13 L29 V34 A35 | L10-L31 HydrophobicContact CD2-CD2 3.76Å; L10-L31 HydrophobicContact CD2-CG 4.39Å; G13-L31 PolarHBondContact O-N 3.47Å; L29-L31 PolarHBondContact O-N 3.49Å; L31-V34 PolarHBondContact O-N 3.39Å; L31-A35 WeakPolarHBondContact O-CB 3.42Å; L31-A35 PolarHBondContact O-N 2.93Å |
| 32 | R | 45.3 | Very low | 43.8 | Very low | 203 Ų | 203 | 108.7 Ų | 108.7 | 77% | 0.766 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.8 | -34.3 | 171.6 | -67.9 | -164.2 | 170.5 | -160.3 | -2.4 | 114.3 | S30 L36 | S30-R32 PolarHBondContact O-N 3.13Å; R32-L36 WeakPolarHBondContact O-CB 3.45Å; R32-L36 WeakPolarHBondContact O-CG 3.12Å; R32-L36 PolarHBondContact O-N 3.29Å |
| 33 | H | 45.7 | Very low | 43.9 | Very low | 109 Ų | 109 | 111 Ų | 111 | 51% | 0.505 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -72.5 | -37.4 | 177.7 | -75.3 | 98.8 | 0 | 0 | 0 | 112.2 | L29 S30 L36 L37 | L29-H33 HydrophobicContact CD2-CB 3.7Å; S30-H33 PolarHBondContact O-N 3.43Å; H33-L36 PolarHBondContact O-N 3.24Å; H33-L37 WeakPolarHBondContact O-CG 3.25Å; H33-L37 PolarHBondContact O-N 3.17Å; H33-L37 VanDerWaalsContact O-N 3.13Å |
| 34 | V | 48.9 | Very low | 43.7 | Very low | 50 Ų | 50 | 114.6 Ų | 114.6 | 30% | 0.303 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.6 | -39.3 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 110.5 | L15 L31 L36 L37 S38 | L15-V34 HydrophobicContact CD2-CG2 4.3Å; L31-V34 PolarHBondContact O-N 3.39Å; V34-L36 PolarHBondContact O-N 3.27Å; V34-L37 PolarHBondContact O-N 2.93Å; V34-S38 PolarHBondContact O-N 3.47Å; V34-S38 PolarHBondContact O-OG 3.01Å |
| 35 | A | 46.8 | Very low | 43.7 | Very low | 42 Ų | 42 | 116.3 Ų | 116.3 | 35% | 0.347 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -43.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L31 L37 S38 F39 | L31-A35 WeakPolarHBondContact O-CB 3.42Å; L31-A35 PolarHBondContact O-N 2.93Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3Å; A35-S38 PolarHBondContact O-N 2.95Å; A35-F39 WeakPolarHBondContact O-CD2 3.5Å; A35-F39 PolarHBondContact O-N 3.15Å |
| 36 | L | 45.1 | Very low | 43.7 | Very low | 128 Ų | 128 | 109.1 Ų | 109.1 | 67% | 0.67 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64.4 | -32.2 | 177.2 | -80.1 | 165.5 | 0 | 0 | 0 | 113.5 | R32 H33 V34 G40 | R32-L36 WeakPolarHBondContact O-CB 3.45Å; R32-L36 WeakPolarHBondContact O-CG 3.12Å; R32-L36 PolarHBondContact O-N 3.29Å; H33-L36 PolarHBondContact O-N 3.24Å; V34-L36 PolarHBondContact O-N 3.27Å; L36-G40 WeakPolarHBondContact O-CA 3.37Å; L36-G40 PolarHBondContact O-N 2.95Å |
| 37 | L | 46 | Very low | 43.7 | Very low | 130 Ų | 130 | 112.6 Ų | 112.6 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.9 | -38.3 | 174.4 | -72.9 | 165 | 0 | 0 | 0 | 112.1 | H33 V34 A35 G40 A41 | H33-L37 WeakPolarHBondContact O-CG 3.25Å; H33-L37 PolarHBondContact O-N 3.17Å; H33-L37 VanDerWaalsContact O-N 3.13Å; V34-L37 PolarHBondContact O-N 2.93Å; A35-L37 VanDerWaalsContact C-N 3.31Å; A35-L37 PolarHBondContact O-N 3Å; L37-G40 PolarHBondContact O-N 3.47Å; L37-A41 PolarHBondContact O-N 3.38Å |
| 38 | S | 43.9 | Very low | 43.4 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 58% | 0.58 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.5 | -32.3 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 113.1 | V34 A35 | V34-S38 PolarHBondContact O-N 3.47Å; V34-S38 PolarHBondContact O-OG 3.01Å; A35-S38 PolarHBondContact O-N 2.95Å |
| 39 | F | 45.6 | Very low | 43.1 | Very low | 173 Ų | 173 | 116.7 Ų | 116.7 | 76% | 0.759 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -83.6 | -17 | 170.5 | -71.1 | -70.1 | 0 | 0 | 0 | 113 | A35 | A35-F39 WeakPolarHBondContact O-CD2 3.5Å; A35-F39 PolarHBondContact O-N 3.15Å |
| 40 | G | 37.6 | Very low | 42.8 | Very low | 61 Ų | 61 | 119.7 Ų | 119.7 | 63% | 0.629 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -85.6 | -11.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L36 L37 | L36-G40 WeakPolarHBondContact O-CA 3.37Å; L36-G40 PolarHBondContact O-N 2.95Å; L37-G40 PolarHBondContact O-N 3.47Å |
| 41 | A | 45 | Very low | 42.8 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 74% | 0.744 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 2.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L37 | L37-A41 PolarHBondContact O-N 3.38Š|
| 42 | Q | 42.8 | Very low | 42.3 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 76% | 0.757 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -128.3 | 66.1 | 179.6 | -165.9 | -165.8 | -38.3 | 0 | 0 | 110.7 | | |
| 43 | Q | 41.9 | Very low | 42.3 | Very low | 184 Ų | 184 | 125.1 Ų | 125.1 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -168.1 | 100.7 | 146.4 | -106 | 163.7 | 22.7 | 0 | 0 | 110 | | |
| 44 | D | 38.4 | Very low | 42.4 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 81% | 0.807 | 72% | 0.722 | S | S | * | * | | | trans | -33.2 | 138.6 | 150.5 | -125.2 | -40.9 | 0 | 0 | 0 | 112.2 | | |
| 45 | M | 37.7 | Very low | 42.3 | Very low | 176 Ų | 176 | 129.4 Ų | 129.4 | 87% | 0.867 | 75% | 0.748 | S | S | * | * | | | trans | 66.8 | 100 | 162.6 | -76.5 | 158.2 | 149.5 | 0 | 0 | 119.7 | | |
| 46 | A | 37.5 | Very low | 42 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | | 171.4 | 127.7 | 114.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G48 | A46-G48 PolarHBondContact O-N 2.8Š|
| 47 | P | 39.9 | Very low | 41.8 | Very low | 140 Ų | 140 | 136.2 Ų | 136.2 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | -90.3 | 99.8 | 172.1 | 33.8 | -25.4 | 0 | 0 | 0 | 109 | | |
| 48 | G | 37.8 | Very low | 41.9 | Very low | 64 Ų | 64 | 135 Ų | 135 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | 160.4 | 99.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A46 | A46-G48 PolarHBondContact O-N 2.8Š|
| 49 | M | 39.4 | Very low | 42.2 | Very low | 189 Ų | 189 | 139.4 Ų | 139.4 | 93% | 0.931 | 79% | 0.786 | S | S | * | * | | | trans | 166.3 | 111.9 | 131.5 | -90.1 | -174.4 | 79.7 | 0 | 0 | 108.2 | G51 | M49-G51 PolarHBondContact O-N 2.77Š|
| 50 | V | 42.4 | Very low | 42.2 | Very low | 142 Ų | 142 | 136.2 Ų | 136.2 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 97.7 | 170.6 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | H52 | V50-H52 PolarHBondContact O-N 3.25Š|
| 51 | G | 44.4 | Very low | 42.7 | Very low | 56 Ų | 56 | 141.8 Ų | 141.8 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -73.2 | 114.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | M49 Y53 | M49-G51 PolarHBondContact O-N 2.77Å; G51-Y53 PolarHBondContact O-N 3.32Å |
| 52 | H | 36 | Very low | 42.5 | Very low | 187 Ų | 187 | 146 Ų | 146 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -54.9 | 116.2 | 168.6 | -83.7 | -111.2 | 0 | 0 | 0 | 110.6 | V50 | V50-H52 PolarHBondContact O-N 3.25Š|
| 53 | Y | 45 | Very low | 42.6 | Very low | 217 Ų | 217 | 142.9 Ų | 142.9 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -77.1 | 125.2 | 167.8 | -72.4 | -84.5 | 0 | 0 | 0 | 109.5 | G51 T55 | G51-Y53 PolarHBondContact O-N 3.32Å; Y53-T55 PolarHBondContact O-N 2.97Å |
| 54 | P | 48.8 | Very low | 42.9 | Very low | 113 Ų | 113 | 144.7 Ų | 144.7 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -73.3 | 109.6 | 173.6 | 28.4 | -30.1 | 0 | 0 | 0 | 109.3 | H56 | P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 PolarHBondContact O-N 3.14Å |
| 55 | T | 45.6 | Very low | 43.2 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 81.1 | 166 | 36.4 | 0 | 0 | 0 | 0 | 109.5 | Y53 | Y53-T55 PolarHBondContact O-N 2.97Š|
| 56 | H | 41.1 | Very low | 43.4 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 73% | 0.731 | 80% | 0.8 | S | S | * | * | | | trans | -133.2 | 122.2 | 170.4 | -90.7 | -81.6 | 0 | 0 | 0 | 111.3 | P54 | P54-H56 VanDerWaalsContact C-N 3.26Å; P54-H56 PolarHBondContact O-N 3.14Å |
| 57 | Q | 41 | Very low | 43.4 | Very low | 154 Ų | 154 | 146.8 Ų | 146.8 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | | | trans | 79.4 | 89.5 | 154.8 | -58.1 | -177.7 | 0.3 | 0 | 0 | 116.4 | F59 | Q57-F59 WeakPolarHBondContact O-CD2 3.43Å; Q57-F59 PolarHBondContact O-N 3Å; Q57-F59 VanDerWaalsContact O-N 3.08Å |
| 58 | A | 47.2 | Very low | 43.6 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | | | trans | -55.5 | 109.5 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 59 | F | 50.7 | Low | 43.7 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -65.7 | 127 | 171.8 | -79.2 | -97.5 | 0 | 0 | 0 | 109.2 | Q57 L61 | Q57-F59 WeakPolarHBondContact O-CD2 3.43Å; Q57-F59 PolarHBondContact O-N 3Å; Q57-F59 VanDerWaalsContact O-N 3.08Å; F59-L61 PolarHBondContact O-N 3.02Å |
| 60 | P | 46.5 | Very low | 44 | Very low | 105 Ų | 105 | 144 Ų | 144 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | trans | -69.2 | 122.1 | 170 | 27.9 | -29.5 | 0 | 0 | 0 | 107.9 | K62 | P60-K62 PolarHBondContact O-N 3.23Š|
| 61 | L | 48.5 | Very low | 44 | Very low | 179 Ų | 179 | 145 Ų | 145 | 94% | 0.937 | 79% | 0.794 | S | S | * | * | | | trans | -64.4 | 80.8 | 170.8 | -67.2 | 170.6 | 0 | 0 | 0 | 108.8 | F59 A63 | F59-L61 PolarHBondContact O-N 3.02Å; L61-A63 PolarHBondContact O-N 3.38Å |
| 62 | K | 40.7 | Very low | 44 | Very low | 177 Ų | 177 | 146.3 Ų | 146.3 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | -65.1 | 118.2 | 165.8 | -80.3 | -175.3 | 177.2 | -179.6 | 0 | 107.1 | P60 Y64 | P60-K62 PolarHBondContact O-N 3.23Å; K62-Y64 PolarHBondContact O-N 3.18Å |
| 63 | A | 43.9 | Very low | 44.4 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.792 | S | S | * | * | | | trans | -45.7 | 123.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | L61 | L61-A63 PolarHBondContact O-N 3.38Š|
| 64 | Y | 48.6 | Very low | 44.4 | Very low | 221 Ų | 221 | 139 Ų | 139 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -79.1 | 130.6 | 166.1 | -78 | -89.2 | 0 | 0 | 0 | 108.9 | K62 T66 | K62-Y64 PolarHBondContact O-N 3.18Å; Y64-T66 PolarHBondContact O-N 3.4Å |
| 65 | P | 44 | Very low | 44.1 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | trans | -72.5 | 122.7 | 175.7 | 29.4 | -31.2 | 0 | 0 | 0 | 109.5 | K67 | P65-K67 PolarHBondContact O-N 2.96Å; P65-K67 VanDerWaalsContact O-N 3.08Å |
| 66 | T | 42.9 | Very low | 43.9 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | | | trans | -56.2 | 101.5 | 171.9 | 33.3 | 0 | 0 | 0 | 0 | 111.9 | Y64 | Y64-T66 PolarHBondContact O-N 3.4Š|
| 67 | K | 36.6 | Very low | 44 | Very low | 203 Ų | 203 | 132.9 Ų | 132.9 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | | | trans | -147.9 | 103.4 | 149.8 | -73.1 | -160.8 | 178.3 | -179.2 | 0 | 109.3 | P65 | P65-K67 PolarHBondContact O-N 2.96Å; P65-K67 VanDerWaalsContact O-N 3.08Å |
| 68 | A | 44.3 | Very low | 44 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | trans | -81.3 | 151.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | V70 | A68-V70 HydrophobicContact CB-CG2 4.22Š|
| 69 | P | 41.2 | Very low | 43.9 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -114.2 | 93.8 | 144.8 | 32.5 | -18.8 | 0 | 0 | 0 | 108.2 | L71 | P69-L71 VanDerWaalsContact C-N 3.3Å; P69-L71 PolarHBondContact O-N 3.08Å |
| 70 | V | 45.1 | Very low | 43.5 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -93.7 | 71.2 | 164.1 | -174.6 | 0 | 0 | 0 | 0 | 107.2 | A68 | A68-V70 HydrophobicContact CB-CG2 4.22Š|
| 71 | L | 42.4 | Very low | 43.4 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | | | trans | -143.2 | 87.8 | 173.6 | -92.5 | 164.2 | 0 | 0 | 0 | 107.2 | P69 | P69-L71 VanDerWaalsContact C-N 3.3Å; P69-L71 PolarHBondContact O-N 3.08Å |
| 72 | A | 43.2 | Very low | 42.9 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | | | trans | 158.3 | 48.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 73 | L | 45.3 | Very low | 43 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 73% | 0.728 | 75% | 0.751 | S | S | * | * | | | trans | -114.1 | 12.8 | 171.4 | -76 | 172.8 | 0 | 0 | 0 | 113.7 | | |
| 74 | S | 45 | Very low | 42.8 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 78% | 0.783 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -87.3 | -9.3 | -179.4 | 87.3 | 0 | 0 | 0 | 0 | 115 | | |
| 75 | S | 41.9 | Very low | 42.5 | Very low | 85 Ų | 85 | 132.8 Ų | 132.8 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -112.5 | -15.2 | -172.1 | 41.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 76 | S | 42.2 | Very low | 42.4 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -98.4 | -7.1 | 178.9 | -61.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 77 | L | 42.2 | Very low | 42.4 | Very low | 110 Ų | 110 | 133.1 Ų | 133.1 | 58% | 0.576 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -79.9 | -23.8 | 179.8 | -127.6 | 150.2 | 0 | 0 | 0 | 112.2 | L79 L80 C81 | L77-L79 VanDerWaalsContact C-N 3.32Å; L77-L79 PolarHBondContact O-N 3.23Å; L77-L80 PolarHBondContact O-N 3.27Å; L77-C81 VanDerWaalsContact CD2-SG 3.54Å; L77-C81 WeakPolarHBondContact O-CB 3.42Å; L77-C81 PolarHBondContact O-N 2.76Å; L77-C81 VanDerWaalsContact O-N 3.07Å |
| 78 | E | 42 | Very low | 42.7 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -67.5 | -31.9 | 173.3 | -67.4 | -171 | 152.1 | 0 | 0 | 112.6 | L80 | E78-L80 VanDerWaalsContact C-N 3.35Å |
| 79 | L | 43.9 | Very low | 42.6 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -75.3 | -22 | 178.1 | -94.6 | 160.6 | 0 | 0 | 0 | 113.6 | L77 | L77-L79 VanDerWaalsContact C-N 3.32Å; L77-L79 PolarHBondContact O-N 3.23Å |
| 80 | L | 43.1 | Very low | 42.7 | Very low | 160 Ų | 160 | 132.4 Ų | 132.4 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -98 | -27.5 | 179.8 | -147.5 | 79.6 | 0 | 0 | 0 | 112.7 | L77 E78 | L77-L80 PolarHBondContact O-N 3.27Å; E78-L80 VanDerWaalsContact C-N 3.35Å |
| 81 | C | 44 | Very low | 42.6 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 47% | 0.473 | 76% | 0.759 | S | S | . | * | H | α-helix | trans | -87.6 | -18.1 | -175.3 | -84.7 | 0 | 0 | 0 | 0 | 115.3 | L77 F83 | L77-C81 VanDerWaalsContact CD2-SG 3.54Å; L77-C81 WeakPolarHBondContact O-CB 3.42Å; L77-C81 PolarHBondContact O-N 2.76Å; L77-C81 VanDerWaalsContact O-N 3.07Å; C81-F83 WeakPolarHBondContact O-CD2 3.42Å; C81-F83 PolarHBondContact O-N 3.32Å |
| 82 | G | 38.1 | Very low | 42.6 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | | | trans | 54.3 | 8.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | K84 | G82-K84 PolarHBondContact O-N 3.08Š|
| 83 | F | 43.3 | Very low | 42.5 | Very low | 187 Ų | 187 | 134.2 Ų | 134.2 | 82% | 0.82 | 76% | 0.757 | S | S | * | * | | | trans | -89.5 | 98 | 179.7 | -89.3 | -79.7 | 0 | 0 | 0 | 107.9 | C81 V85 | C81-F83 WeakPolarHBondContact O-CD2 3.42Å; C81-F83 PolarHBondContact O-N 3.32Å; F83-V85 PolarHBondContact O-N 3.35Å |
| 84 | K | 39.8 | Very low | 42.3 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | | | trans | -66.7 | 120.7 | 161.1 | -179.3 | 165.1 | 178.9 | 156.4 | 0 | 108.1 | G82 | G82-K84 PolarHBondContact O-N 3.08Š|
| 85 | V | 42.1 | Very low | 42 | Very low | 202 Ų | 202 | 135.7 Ų | 135.7 | 100% | 1.224 | 76% | 0.757 | S | S | * | * | | | trans | -82.2 | 0 | 159.2 | -174.3 | 0 | 0 | 0 | 0 | 108.4 | F83 | F83-V85 PolarHBondContact O-N 3.35Š|