| 1 | M | 65.2 | Low | 73.5 | Confident | 209 Ų | 209 | 110 Ų | 110 | 100% | 1.03 | 63% | 0.631 | S | S | * | * | | | | 0 | 117.6 | 0 | -68.7 | 174.4 | 174.3 | 0 | 0 | 107.7 | A16 | M1-A16 WeakPolarHBondContact O-CB 3.48Š|
| 2 | T | 69.9 | Low | 73.5 | Confident | 102 Ų | 102 | 113.8 Ų | 113.8 | 63% | 0.626 | 63% | 0.627 | S | S | * | * | | | trans | -107.9 | 128.5 | -178.5 | -57.5 | 0 | 0 | 0 | 0 | 107.4 | V13 | T2-V13 HydrophobicContact CG2-CB 4.49Å; T2-V13 HydrophobicContact CG2-CG1 3.07Å |
| 3 | R | 70.3 | Confident | 73.8 | Confident | 150 Ų | 150 | 112.1 Ų | 112.1 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.5 | 178.5 | -167.5 | 172.5 | 169.6 | 155.9 | -4.3 | 108.7 | L14 L19 | R3-L14 PolarHBondContact N-O 3.1Å; R3-L14 PolarHBondContact O-N 3.2Å; R3-L19 HydrophobicContact CB-CD1 3.6Å; R3-L19 HydrophobicContact CB-CD2 3.75Å; R3-L19 HydrophobicContact CB-CG 4.26Å; R3-L19 HydrophobicContact CG-CD2 4.34Å |
| 4 | A | 75.5 | Confident | 73.9 | Confident | 66 Ų | 66 | 107.1 Ų | 107.1 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.1 | 131.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | T11 R12 | A4-T11 HydrophobicContact CB-CG2 3.94Å; A4-R12 WeakPolarHBondContact CA-O 3.37Å |
| 5 | T | 72.1 | Confident | 73.8 | Confident | 42 Ų | 42 | 105.3 Ų | 105.3 | 26% | 0.258 | 59% | 0.59 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125 | 124.3 | 173.5 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | R12 L14 | T5-R12 PolarHBondContact N-O 2.95Å; T5-R12 PolarHBondContact O-N 3.24Å; T5-R12 PolarHBondContact OG1-O 3.01Å; T5-L14 HydrophobicContact CG2-CD1 3.91Å |
| 6 | T | 75.1 | Confident | 73.8 | Confident | 105 Ų | 105 | 101.6 Ų | 101.6 | 64% | 0.644 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.8 | 174.1 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | E10 T11 | T6-E10 CarbonylContact C-O 3.57Å; T6-E10 VanDerWaalsContact CA-O 3.27Å; T6-E10 WeakPolarHBondContact CA-O 3.5Å; T6-T11 HydrophobicContact CG2-CG2 4.43Å |
| 7 | V | 76.1 | Confident | 73.9 | Confident | 71 Ų | 71 | 106.9 Ų | 106.9 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.2 | 174.3 | -174.8 | 0 | 0 | 0 | 0 | 107 | G9 E10 | V7-G9 PolarHBondContact O-N 2.91Å; V7-E10 PolarHBondContact N-O 2.95Å; V7-E10 WeakPolarHBondContact O-CB 3.27Å; V7-E10 PolarHBondContact O-N 3.08Å |
| 8 | N | 71.7 | Confident | 73.9 | Confident | 162 Ų | 162 | 105.7 Ų | 105.7 | 87% | 0.866 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54.8 | 30.6 | -176.2 | -63.2 | -28.8 | 0 | 0 | 0 | 115.2 | E10 | N8-E10 PolarHBondContact O-N 2.82Š|
| 9 | G | 79.9 | Confident | 73.9 | Confident | 74 Ų | 74 | 101.3 Ų | 101.3 | 76% | 0.763 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | -3.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V7 | V7-G9 PolarHBondContact O-N 2.91Š|
| 10 | E | 74.9 | Confident | 73.7 | Confident | 135 Ų | 135 | 100.7 Ų | 100.7 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 124.9 | 173.4 | -63.2 | -175.4 | 120.6 | 0 | 0 | 110.8 | T6 V7 N8 R12 | T6-E10 CarbonylContact C-O 3.57Å; T6-E10 VanDerWaalsContact CA-O 3.27Å; T6-E10 WeakPolarHBondContact CA-O 3.5Å; V7-E10 PolarHBondContact N-O 2.95Å; V7-E10 WeakPolarHBondContact O-CB 3.27Å; V7-E10 PolarHBondContact O-N 3.08Å; N8-E10 PolarHBondContact O-N 2.82Å; E10-R12 PolarHBondContact O-N 3.31Å |
| 11 | T | 78 | Confident | 73.7 | Confident | 94 Ų | 94 | 100.6 Ų | 100.6 | 58% | 0.577 | 55% | 0.554 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 106 | 173.9 | -55.1 | 0 | 0 | 0 | 0 | 109.8 | A4 T6 | A4-T11 HydrophobicContact CB-CG2 3.94Å; T6-T11 HydrophobicContact CG2-CG2 4.43Å |
| 12 | R | 74 | Confident | 73.9 | Confident | 155 Ų | 155 | 98.3 Ų | 98.3 | 59% | 0.585 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.5 | 174.5 | -59 | -178.6 | 75.4 | -177.6 | 4.5 | 109.7 | A4 T5 E10 | A4-R12 WeakPolarHBondContact CA-O 3.37Å; T5-R12 PolarHBondContact N-O 2.95Å; T5-R12 PolarHBondContact O-N 3.24Å; T5-R12 PolarHBondContact OG1-O 3.01Å; E10-R12 PolarHBondContact O-N 3.31Å |
| 13 | V | 76.4 | Confident | 73.7 | Confident | 92 Ų | 92 | 98.9 Ų | 98.9 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 110.3 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 108.2 | T2 | T2-V13 HydrophobicContact CG2-CB 4.49Å; T2-V13 HydrophobicContact CG2-CG1 3.07Å |
| 14 | L | 75.2 | Confident | 73.2 | Confident | 43 Ų | 43 | 95.1 Ų | 95.1 | 23% | 0.225 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.1 | 176.7 | -60.1 | 178.2 | 0 | 0 | 0 | 109.4 | R3 T5 L18 L19 | R3-L14 PolarHBondContact N-O 3.1Å; R3-L14 PolarHBondContact O-N 3.2Å; T5-L14 HydrophobicContact CG2-CD1 3.91Å; L14-L18 HydrophobicContact CD2-CD1 4.25Å; L14-L19 HydrophobicContact CB-CD1 4.32Å; L14-L19 HydrophobicContact CB-CG 4.19Å; L14-L19 WeakPolarHBondContact O-CD1 3.48Å |
| 15 | C | 72.4 | Confident | 72.2 | Confident | 80 Ų | 80 | 98 Ų | 98 | 54% | 0.541 | 54% | 0.542 | S | S | . | . | | | trans | -62.8 | 151.7 | 170.6 | -74.9 | 0 | 0 | 0 | 0 | 110.6 | W17 L18 L19 | C15-W17 PolarHBondContact O-N 3Å; C15-L18 PolarHBondContact O-N 3.19Å; C15-L19 PolarHBondContact O-N 2.93Å |
| 16 | A | 74.8 | Confident | 71.5 | Confident | 45 Ų | 45 | 102.2 Ų | 102.2 | 37% | 0.372 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -49.3 | -36.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1 L19 C20 | M1-A16 WeakPolarHBondContact O-CB 3.48Å; A16-L19 WeakPolarHBondContact O-CB 3.41Å; A16-L19 PolarHBondContact O-N 3.31Å; A16-C20 PolarHBondContact O-N 3.04Å; A16-C20 PolarHBondContact O-SG 2.97Å |
| 17 | W | 75 | Confident | 70.6 | Confident | 193 Ų | 193 | 103.1 Ų | 103.1 | 73% | 0.731 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 179.2 | -172.6 | 64.5 | 0 | 0 | 0 | 113.9 | C15 L19 C20 L21 | C15-W17 PolarHBondContact O-N 3Å; W17-L19 VanDerWaalsContact C-N 3.34Å; W17-C20 WeakPolarHBondContact O-CB 3.45Å; W17-C20 PolarHBondContact O-N 3.26Å; W17-L21 HydrophobicContact CD2-CD1 4.02Å; W17-L21 HydrophobicContact CE3-CD1 4.13Å; W17-L21 HydrophobicContact CH2-CD1 4.03Å; W17-L21 HydrophobicContact CZ2-CD1 3.91Å; W17-L21 HydrophobicContact CZ3-CD1 4.13Å; W17-L21 PolarHBondContact O-N 3.18Å; W17-L21 VanDerWaalsContact O-N 3.11Å |
| 18 | L | 74.1 | Confident | 69.6 | Low | 84 Ų | 84 | 105.6 Ų | 105.6 | 44% | 0.44 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.7 | -36.4 | 175.8 | -79.6 | 160.6 | 0 | 0 | 0 | 111.5 | L14 C15 C20 L21 H22 | L14-L18 HydrophobicContact CD2-CD1 4.25Å; C15-L18 PolarHBondContact O-N 3.19Å; L18-C20 VanDerWaalsContact C-N 3.34Å; L18-L21 PolarHBondContact O-N 2.87Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.41Å |
| 19 | L | 72.7 | Confident | 68.6 | Low | 23 Ų | 23 | 101.3 Ų | 101.3 | 12% | 0.12 | 58% | 0.578 | C | S | . | * | H | α-helix | trans | -62.7 | -42.8 | 172.8 | -75.2 | 148.9 | 0 | 0 | 0 | 110.9 | R3 L14 C15 A16 W17 L21 H22 H23 | R3-L19 HydrophobicContact CB-CD1 3.6Å; R3-L19 HydrophobicContact CB-CD2 3.75Å; R3-L19 HydrophobicContact CB-CG 4.26Å; R3-L19 HydrophobicContact CG-CD2 4.34Å; L14-L19 HydrophobicContact CB-CD1 4.32Å; L14-L19 HydrophobicContact CB-CG 4.19Å; L14-L19 WeakPolarHBondContact O-CD1 3.48Å; C15-L19 PolarHBondContact O-N 2.93Å; A16-L19 WeakPolarHBondContact O-CB 3.41Å; A16-L19 PolarHBondContact O-N 3.31Å; W17-L19 VanDerWaalsContact C-N 3.34Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 2.87Å; L19-H22 PolarHBondContact O-N 3.41Å; L19-H23 PolarHBondContact O-N 2.84Å; L19-H23 PolarHBondContact O-ND1 2.83Å |
| 20 | C | 70.9 | Confident | 67.4 | Low | 88 Ų | 88 | 102.6 Ų | 102.6 | 60% | 0.595 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -60.7 | -40.5 | 176.4 | -66 | 0 | 0 | 0 | 0 | 112.7 | A16 W17 L18 A24 | A16-C20 PolarHBondContact O-N 3.04Å; A16-C20 PolarHBondContact O-SG 2.97Å; W17-C20 WeakPolarHBondContact O-CB 3.45Å; W17-C20 PolarHBondContact O-N 3.26Å; L18-C20 VanDerWaalsContact C-N 3.34Å; C20-A24 PolarHBondContact O-N 3.04Å |
| 21 | L | 73 | Confident | 66.6 | Low | 100 Ų | 100 | 101.2 Ų | 101.2 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.4 | -40.6 | 174 | -86.2 | 149.7 | 0 | 0 | 0 | 112.3 | W17 L18 L19 A24 | W17-L21 HydrophobicContact CD2-CD1 4.02Å; W17-L21 HydrophobicContact CE3-CD1 4.13Å; W17-L21 HydrophobicContact CH2-CD1 4.03Å; W17-L21 HydrophobicContact CZ2-CD1 3.91Å; W17-L21 HydrophobicContact CZ3-CD1 4.13Å; W17-L21 PolarHBondContact O-N 3.18Å; W17-L21 VanDerWaalsContact O-N 3.11Å; L18-L21 PolarHBondContact O-N 2.87Å; L19-L21 VanDerWaalsContact C-N 3.33Å; L19-L21 PolarHBondContact O-N 2.87Å; L21-A24 PolarHBondContact O-N 3.01Å |
| 22 | H | 69.2 | Low | 65.4 | Low | 161 Ų | 161 | 100.7 Ų | 100.7 | 75% | 0.745 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -77.3 | -22.5 | -176.3 | -156.7 | -66.4 | 0 | 0 | 0 | 113.9 | L18 L19 | L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 PolarHBondContact O-N 3.41Å; L19-H22 PolarHBondContact O-N 3.41Å |
| 23 | H | 65.7 | Low | 64.6 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 52% | 0.523 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.7 | 0.7 | 175.1 | -67.6 | 82.3 | 0 | 0 | 0 | 113.1 | L19 D25 | L19-H23 PolarHBondContact O-N 2.84Å; L19-H23 PolarHBondContact O-ND1 2.83Å; H23-D25 PolarHBondContact O-N 3.36Å |
| 24 | A | 60.6 | Low | 63.8 | Low | 71 Ų | 71 | 96.8 Ų | 96.8 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | | | trans | -72.5 | 81.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | C20 L21 P26 | C20-A24 PolarHBondContact O-N 3.04Å; L21-A24 PolarHBondContact O-N 3.01Å; A24-P26 WeakPolarHBondContact O-CD 3.46Å |
| 25 | D | 55 | Low | 62.7 | Low | 126 Ų | 126 | 103 Ų | 103 | 67% | 0.674 | 67% | 0.667 | S | S | * | * | | | trans | -57.5 | 122.1 | 172.4 | -77.2 | -51.5 | 0 | 0 | 0 | 109.5 | H23 V27 | H23-D25 PolarHBondContact O-N 3.36Å; D25-V27 PolarHBondContact O-N 3.11Å |
| 26 | P | 57.3 | Low | 62.1 | Low | 132 Ų | 132 | 102.6 Ų | 102.6 | 86% | 0.857 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 14.5 | -179.8 | 29.3 | -34.5 | 0 | 0 | 0 | 113.9 | A24 | A24-P26 WeakPolarHBondContact O-CD 3.46Š|
| 27 | V | 56.5 | Low | 61.2 | Low | 124 Ų | 124 | 112.4 Ų | 112.4 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | 6.9 | -163.6 | 93 | 0 | 0 | 0 | 0 | 115.9 | D25 | D25-V27 PolarHBondContact O-N 3.11Š|
| 28 | T | 53.9 | Low | 60.4 | Low | 123 Ų | 123 | 109.7 Ų | 109.7 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -130.6 | 56.6 | -177.3 | -47.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 29 | A | 51.9 | Low | 59.4 | Low | 72 Ų | 72 | 110.3 Ų | 110.3 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | | | trans | -133 | 18.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 30 | A | 54.8 | Low | 58.5 | Low | 101 Ų | 101 | 115.8 Ų | 115.8 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | | | trans | -136.4 | 75 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 31 | A | 56.5 | Low | 57.5 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | | | trans | -170.2 | 84.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 32 | G | 54 | Low | 56.6 | Low | 84 Ų | 84 | 119.8 Ų | 119.8 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | | | trans | -153.8 | 84.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 33 | G | 57.3 | Low | 55.7 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | | | trans | -121.8 | 137.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 34 | G | 58.6 | Low | 54.8 | Low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | | | trans | 120.6 | 87.3 | 152.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | G36 | G34-G36 PolarHBondContact O-N 3.43Š|
| 35 | D | 52.5 | Low | 54.2 | Low | 174 Ų | 174 | 119.6 Ų | 119.6 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | | | trans | -64.6 | 117.4 | 162.2 | -76.7 | -58.4 | 0 | 0 | 0 | 111.2 | | |
| 36 | G | 59.4 | Low | 53.8 | Low | 72 Ų | 72 | 118.6 Ų | 118.6 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -114.3 | 85 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G34 T38 | G34-G36 PolarHBondContact O-N 3.43Å; G36-T38 PolarHBondContact O-N 3Å |
| 37 | R | 57 | Low | 53.4 | Low | 250 Ų | 250 | 120.1 Ų | 120.1 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | | | trans | -71.8 | 105.6 | 168.1 | -87.7 | -172.9 | 168.2 | 115.7 | -3.5 | 110.5 | | |
| 38 | T | 56.4 | Low | 52.9 | Low | 136 Ų | 136 | 122.6 Ų | 122.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -169.4 | 133.8 | 160.7 | 41.3 | 0 | 0 | 0 | 0 | 105.8 | G36 | G36-T38 PolarHBondContact O-N 3Š|
| 39 | A | 53.6 | Low | 52.3 | Low | 97 Ų | 97 | 125.8 Ų | 125.8 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | cis | -161.9 | 150.6 | 14.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 40 | V | 55.3 | Low | 52.2 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -62.2 | 150.9 | 160.5 | -121.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 41 | P | 48.8 | Very low | 51.8 | Low | 107 Ų | 107 | 128.3 Ų | 128.3 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | | | | -162.5 | 174.7 | 73.8 | 38.3 | -13.9 | 0 | 0 | 0 | 119.2 | | |
| 42 | L | 53.7 | Low | 51.5 | Low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | 101.4 | 108.7 | 152.4 | -48.8 | -178.4 | 0 | 0 | 0 | 119.8 | | |
| 43 | D | 50.6 | Low | 51.1 | Low | 129 Ų | 129 | 136.4 Ų | 136.4 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | | | trans | -55.7 | 151.1 | 166.6 | -179.4 | 59.2 | 0 | 0 | 0 | 112.7 | S45 | D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 3.35Å |
| 44 | P | 47.5 | Very low | 50.8 | Low | 123 Ų | 123 | 140.7 Ų | 140.7 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | | -143.1 | 129.9 | 88.2 | 29 | -6.8 | 0 | 0 | 0 | 115.5 | | |
| 45 | S | 46.8 | Very low | 50.5 | Low | 90 Ų | 90 | 145.4 Ų | 145.4 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | | | trans | -56 | -173.9 | 162.2 | -63.9 | 0 | 0 | 0 | 0 | 113.6 | D43 | D43-S45 PolarHBondContact OD1-N 3.25Å; D43-S45 PolarHBondContact OD1-OG 3.35Å |
| 46 | P | 47 | Very low | 50.5 | Low | 105 Ų | 105 | 148.5 Ų | 148.5 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | | | cis | -136.8 | 133.6 | -50 | 32.6 | -16 | 0 | 0 | 0 | 111.3 | | |
| 47 | L | 48.3 | Very low | 50.5 | Low | 163 Ų | 163 | 150.9 Ų | 150.9 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | trans | -144.2 | 104.4 | 166.3 | -69.1 | 179.1 | 0 | 0 | 0 | 113.9 | | |
| 48 | F | 47.6 | Very low | 50.3 | Low | 176 Ų | 176 | 145.1 Ų | 145.1 | 77% | 0.772 | 79% | 0.79 | S | S | * | * | | | trans | 40.3 | 96.2 | 143.4 | -64.3 | -93.4 | 0 | 0 | 0 | 118.7 | T50 | F48-T50 HydrophobicContact CB-CG2 4.08Å; F48-T50 PolarHBondContact O-N 3.33Å |
| 49 | L | 40.1 | Very low | 50.4 | Low | 190 Ų | 190 | 141.4 Ų | 141.4 | 100% | 0.995 | 78% | 0.778 | S | S | * | * | | | trans | -73.3 | 92.8 | 156.8 | -74.3 | 169.6 | 0 | 0 | 0 | 109.5 | | |
| 50 | T | 49.8 | Very low | 50.1 | Low | 103 Ų | 103 | 142.5 Ų | 142.5 | 63% | 0.632 | 78% | 0.777 | S | S | * | * | | | trans | -98.7 | 118 | 162.9 | 94 | 0 | 0 | 0 | 0 | 108.1 | F48 | F48-T50 HydrophobicContact CB-CG2 4.08Å; F48-T50 PolarHBondContact O-N 3.33Å |
| 51 | T | 46.3 | Very low | 50 | Low | 124 Ų | 124 | 139.6 Ų | 139.6 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | | | trans | 46.8 | 115.3 | 139 | 52.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 52 | R | 50.2 | Low | 49.9 | Very low | 245 Ų | 245 | 141.7 Ų | 141.7 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | | | trans | -42.6 | 147.2 | 163.1 | -77.9 | -175.9 | 168.1 | 172 | -1.9 | 112.8 | | |
| 53 | P | 46.7 | Very low | 49.7 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | | -142.8 | 166.7 | 91.9 | 33.1 | -14.6 | 0 | 0 | 0 | 115 | | |
| 54 | E | 50.4 | Low | 50 | Low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | 19.6 | 125.7 | 154.2 | -76.5 | -178.3 | 79.5 | 0 | 0 | 119.3 | | |
| 55 | Q | 53.2 | Low | 50.5 | Low | 177 Ų | 177 | 146.7 Ų | 146.7 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | | -163.5 | 117.8 | 109.7 | -83.4 | -118.6 | -59.2 | 0 | 0 | 109 | T57 | Q55-T57 PolarHBondContact O-N 2.98Š|
| 56 | R | 51.2 | Low | 51 | Low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -85.3 | 94.8 | -177.6 | -166.6 | -177.7 | -178.4 | 128.2 | -1.6 | 107.4 | | |
| 57 | T | 59.4 | Low | 51.7 | Low | 122 Ų | 122 | 151.8 Ų | 151.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -120.1 | 96.2 | 167.3 | -56.9 | 0 | 0 | 0 | 0 | 107.9 | Q55 G59 | Q55-T57 PolarHBondContact O-N 2.98Å; T57-G59 PolarHBondContact O-N 3.01Å; T57-G59 VanDerWaalsContact O-N 3.12Å |
| 58 | V | 53.1 | Low | 52.6 | Low | 128 Ų | 128 | 149.5 Ų | 149.5 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -67.8 | 102.7 | 166.2 | 170.6 | 0 | 0 | 0 | 0 | 106.5 | | |
| 59 | G | 58.8 | Low | 53.4 | Low | 58 Ų | 58 | 147.1 Ų | 147.1 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | | | trans | -73.4 | 136.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | T57 | T57-G59 PolarHBondContact O-N 3.01Å; T57-G59 VanDerWaalsContact O-N 3.12Å |
| 60 | P | 48 | Very low | 54.8 | Low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -77.7 | 154.7 | -176.7 | 33.5 | -32.8 | 0 | 0 | 0 | 110.7 | | |
| 61 | A | 52.1 | Low | 55.7 | Low | 78 Ų | 78 | 147.2 Ų | 147.2 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | | | trans | 80.8 | 109.4 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 62 | D | 47.4 | Very low | 56.4 | Low | 151 Ų | 151 | 148 Ų | 148 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | | | | 72.1 | 98.2 | 122.3 | -67.1 | -71.2 | 0 | 0 | 0 | 117.9 | | |
| 63 | S | 50 | Low | 56.9 | Low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | | | | 179.8 | 74.8 | 115.4 | -78.6 | 0 | 0 | 0 | 0 | 110.5 | R65 | S63-R65 VanDerWaalsContact C-N 3.25Å; S63-R65 PolarHBondContact O-N 3.33Å |
| 64 | E | 56.1 | Low | 57.7 | Low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 77% | 0.767 | S | S | * | * | | | trans | -31.3 | 85.3 | 144.1 | -173.6 | -177.2 | 154.9 | 0 | 0 | 112.2 | | |
| 65 | R | 57.8 | Low | 58.5 | Low | 223 Ų | 223 | 142.5 Ų | 142.5 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | | | trans | -134.7 | 42.5 | 166.7 | -69.7 | -173.4 | 177.5 | -99.5 | -0.4 | 110.3 | S63 R67 | S63-R65 VanDerWaalsContact C-N 3.25Å; S63-R65 PolarHBondContact O-N 3.33Å; R65-R67 PolarHBondContact O-N 2.93Å |
| 66 | A | 57.8 | Low | 58.8 | Low | 89 Ų | 89 | 139.1 Ų | 139.1 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -72.7 | 74.7 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | C68 | A66-C68 PolarHBondContact O-N 3.46Š|
| 67 | R | 61 | Low | 59.1 | Low | 213 Ų | 213 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -71.9 | 79.3 | 173.5 | -161.8 | 178.5 | -164.5 | -95.7 | 3.2 | 106.9 | R65 Y69 | R65-R67 PolarHBondContact O-N 2.93Å; R67-Y69 PolarHBondContact O-N 3.43Å |
| 68 | C | 67.2 | Low | 59.2 | Low | 115 Ų | 115 | 135.1 Ų | 135.1 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | -57.3 | 98.5 | 172.8 | -65.2 | 0 | 0 | 0 | 0 | 108.2 | A66 | A66-C68 PolarHBondContact O-N 3.46Š|
| 69 | Y | 64.7 | Low | 59.6 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 49% | 0.494 | 76% | 0.761 | S | S | . | * | | | trans | -64.6 | 126.2 | 165.3 | -142.3 | -93.1 | 0 | 0 | 0 | 106.3 | R67 K71 | R67-Y69 PolarHBondContact O-N 3.43Å; Y69-K71 PolarHBondContact O-N 3.01Å; Y69-K71 VanDerWaalsContact O-N 3.16Å |
| 70 | P | 69.4 | Low | 59.8 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | | | trans | -57.1 | 125.6 | 175 | 23.9 | -30.5 | 0 | 0 | 0 | 107 | D72 | P70-D72 PolarHBondContact O-N 3.2Š|
| 71 | K | 68.9 | Low | 60.8 | Low | 193 Ų | 193 | 147.3 Ų | 147.3 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -58.8 | 112.7 | 177 | -80.1 | -164.7 | 176.5 | -69.5 | 0 | 107.3 | Y69 G73 | Y69-K71 PolarHBondContact O-N 3.01Å; Y69-K71 VanDerWaalsContact O-N 3.16Å; K71-G73 PolarHBondContact O-N 2.74Å; K71-G73 VanDerWaalsContact O-N 3.1Å |
| 72 | D | 61.7 | Low | 61.5 | Low | 141 Ų | 141 | 148.1 Ų | 148.1 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.9 | 116 | 176.8 | -60.8 | -62.4 | 0 | 0 | 0 | 110 | P70 | P70-D72 PolarHBondContact O-N 3.2Š|
| 73 | G | 60.3 | Low | 62.1 | Low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 128.8 | -5.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.3 | K71 L75 | K71-G73 PolarHBondContact O-N 2.74Å; K71-G73 VanDerWaalsContact O-N 3.1Å; G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 2.98Å |
| 74 | E | 62.4 | Low | 62.5 | Low | 189 Ų | 189 | 153 Ų | 153 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -85.5 | 71.1 | 176 | -134.9 | 178.2 | -158.4 | 0 | 0 | 111.5 | C76 | E74-C76 PolarHBondContact O-N 2.85Š|
| 75 | L | 67.1 | Low | 63 | Low | 154 Ų | 154 | 149.1 Ų | 149.1 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | -70.4 | 96.8 | 164 | -73.8 | 170 | 0 | 0 | 0 | 107.7 | G73 M77 | G73-L75 VanDerWaalsContact C-N 3.29Å; G73-L75 PolarHBondContact O-N 2.98Å; L75-M77 WeakPolarHBondContact O-CG 3.48Å; L75-M77 PolarHBondContact O-N 3.21Å |
| 76 | C | 60.1 | Low | 63.2 | Low | 105 Ų | 105 | 146.2 Ų | 146.2 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | -56.2 | 99.6 | 172.8 | -165.3 | 0 | 0 | 0 | 0 | 109.3 | E74 S78 | E74-C76 PolarHBondContact O-N 2.85Å; C76-S78 PolarHBondContact O-N 3.01Å; C76-S78 PolarHBondContact SG-OG 3.1Å |
| 77 | M | 58.8 | Low | 63.5 | Low | 195 Ų | 195 | 148.6 Ų | 148.6 | 96% | 0.961 | 78% | 0.775 | S | S | * | * | | | trans | -72.2 | 28 | -175.5 | -60.3 | -168.6 | 87.4 | 0 | 0 | 113.5 | L75 | L75-M77 WeakPolarHBondContact O-CG 3.48Å; L75-M77 PolarHBondContact O-N 3.21Å |
| 78 | S | 61.2 | Low | 63.8 | Low | 83 Ų | 83 | 147 Ų | 147 | 58% | 0.58 | 78% | 0.776 | S | S | * | * | | | trans | -133.8 | 30.3 | -167.8 | 59 | 0 | 0 | 0 | 0 | 115 | C76 | C76-S78 PolarHBondContact O-N 3.01Å; C76-S78 PolarHBondContact SG-OG 3.1Å |
| 79 | R | 60.5 | Low | 63.4 | Low | 241 Ų | 241 | 147.2 Ų | 147.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -106.9 | 85.5 | 154.4 | -72.7 | -176.4 | 75.3 | -175.2 | 2.5 | 109.2 | K81 | R79-K81 PolarHBondContact O-N 2.95Š|
| 80 | T | 62.6 | Low | 63.5 | Low | 136 Ų | 136 | 153.3 Ų | 153.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | -42.9 | 123.3 | 156.2 | 19.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 81 | K | 69.9 | Low | 63 | Low | 186 Ų | 186 | 153.2 Ų | 153.2 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | | | trans | -49.6 | 130.9 | 173.3 | -174.7 | -178.4 | -179.7 | -176.3 | 0 | 108.8 | R79 E83 | R79-K81 PolarHBondContact O-N 2.95Å; K81-E83 PolarHBondContact O-N 3.16Å |
| 82 | P | 66.8 | Low | 62.6 | Low | 94 Ų | 94 | 147.9 Ų | 147.9 | 61% | 0.61 | 80% | 0.797 | S | S | * | * | | | trans | -65.2 | 112.7 | 168.2 | 27.1 | -30.5 | 0 | 0 | 0 | 107.3 | E84 | P82-E84 PolarHBondContact O-N 2.88Š|
| 83 | E | 59.6 | Low | 62.4 | Low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | trans | -75.6 | 69.7 | 169.4 | -164.4 | 178.1 | 122.7 | 0 | 0 | 108.2 | K81 | K81-E83 PolarHBondContact O-N 3.16Š|
| 84 | E | 59.2 | Low | 62.7 | Low | 165 Ų | 165 | 149.5 Ų | 149.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | trans | -101.3 | 73.8 | 169 | 57.6 | -176.3 | 108.6 | 0 | 0 | 109.3 | P82 | P82-E84 PolarHBondContact O-N 2.88Š|
| 85 | T | 66.6 | Low | 62.7 | Low | 116 Ų | 116 | 146.3 Ų | 146.3 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | trans | -103.2 | 79.5 | 166.5 | -47.6 | 0 | 0 | 0 | 0 | 107.7 | | |
| 86 | L | 62.2 | Low | 62.9 | Low | 162 Ų | 162 | 145.6 Ų | 145.6 | 85% | 0.848 | 78% | 0.778 | S | S | * | * | | | trans | -130.8 | 96.1 | 166.3 | -69.2 | 176.9 | 0 | 0 | 0 | 108.7 | E88 | L86-E88 PolarHBondContact O-N 2.84Å; L86-E88 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 64.4 | Low | 63.2 | Low | 138 Ų | 138 | 147.8 Ų | 147.8 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -61.4 | 100.7 | 163.9 | 172.4 | 0 | 0 | 0 | 0 | 107.1 | | |
| 88 | E | 65.7 | Low | 64.1 | Low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | | | trans | -79.9 | 123.2 | 165.7 | -74.9 | -170.7 | 149 | 0 | 0 | 109.7 | L86 R90 | L86-E88 PolarHBondContact O-N 2.84Å; L86-E88 VanDerWaalsContact O-N 3.08Å; E88-R90 PolarHBondContact O-N 3.42Å |
| 89 | V | 60.3 | Low | 64.8 | Low | 120 Ų | 120 | 149.9 Ų | 149.9 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -38.1 | 115.6 | 179.7 | 178 | 0 | 0 | 0 | 0 | 112.5 | S91 | V89-S91 PolarHBondContact O-N 2.91Š|
| 90 | R | 65.5 | Low | 65.5 | Low | 253 Ų | 253 | 144.5 Ų | 144.5 | 96% | 0.955 | 78% | 0.775 | S | S | * | * | | | trans | -66.8 | 95.7 | 164.3 | -61.5 | 179.7 | 90.8 | -179.7 | 6.4 | 107.9 | E88 | E88-R90 PolarHBondContact O-N 3.42Š|
| 91 | S | 59.7 | Low | 66 | Low | 101 Ų | 101 | 144.6 Ų | 144.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -133.4 | 112.1 | 165.1 | 76.2 | 0 | 0 | 0 | 0 | 111.8 | V89 | V89-S91 PolarHBondContact O-N 2.91Š|
| 92 | G | 59.7 | Low | 65.6 | Low | 80 Ų | 80 | 141.6 Ų | 141.6 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | 82.8 | 79.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 93 | V | 57.8 | Low | 65.5 | Low | 122 Ų | 122 | 144.7 Ų | 144.7 | 74% | 0.739 | 81% | 0.81 | S | S | * | * | | | | -165.1 | 128.1 | 113.8 | 110 | 0 | 0 | 0 | 0 | 109.1 | V95 | V93-V95 HydrophobicContact CG1-CG1 3.68Å; V93-V95 PolarHBondContact O-N 2.8Å |
| 94 | D | 65.8 | Low | 65.8 | Low | 129 Ų | 129 | 142.4 Ų | 142.4 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | | | trans | -70.9 | 93.1 | 173.2 | -155.8 | 18.3 | 0 | 0 | 0 | 106.9 | Q96 | D94-Q96 PolarHBondContact O-N 3.3Å; D94-Q96 PolarHBondContact OD2-NE2 3.12Å |
| 95 | V | 63.9 | Low | 66.1 | Low | 122 Ų | 122 | 141.2 Ų | 141.2 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | | | trans | -73.7 | 67.8 | 175.9 | -82.7 | 0 | 0 | 0 | 0 | 109.7 | V93 I97 | V93-V95 HydrophobicContact CG1-CG1 3.68Å; V93-V95 PolarHBondContact O-N 2.8Å; V95-I97 PolarHBondContact O-N 3.32Å |
| 96 | Q | 71.1 | Confident | 66.1 | Low | 138 Ų | 138 | 142.6 Ų | 142.6 | 65% | 0.645 | 81% | 0.813 | S | S | * | * | | | trans | -75.1 | 104.5 | 164.4 | -68.6 | -167.5 | 51.7 | 0 | 0 | 108.2 | D94 T98 | D94-Q96 PolarHBondContact O-N 3.3Å; D94-Q96 PolarHBondContact OD2-NE2 3.12Å; Q96-T98 PolarHBondContact O-N 2.96Å |
| 97 | I | 66.7 | Low | 66.3 | Low | 151 Ų | 151 | 141.4 Ų | 141.4 | 77% | 0.774 | 81% | 0.811 | S | S | * | * | | | trans | -74.7 | 80.9 | 168.9 | -56.6 | 174.1 | 0 | 0 | 0 | 107.2 | V95 R99 | V95-I97 PolarHBondContact O-N 3.32Å; I97-R99 HydrophobicContact CG2-CG 4.42Å; I97-R99 PolarHBondContact O-N 3.14Å |
| 98 | T | 76.2 | Confident | 66.4 | Low | 114 Ų | 114 | 141.6 Ų | 141.6 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | | | trans | -75 | 102.8 | 166.9 | -54.3 | 0 | 0 | 0 | 0 | 108 | Q96 | Q96-T98 PolarHBondContact O-N 2.96Š|
| 99 | R | 76.9 | Confident | 66.5 | Low | 209 Ų | 209 | 139.1 Ų | 139.1 | 79% | 0.789 | 81% | 0.807 | S | S | * | * | | | trans | -67.4 | 124.1 | 168.3 | -63.6 | -173 | -178.5 | -175.3 | 0.8 | 108 | I97 T101 | I97-R99 HydrophobicContact CG2-CG 4.42Å; I97-R99 PolarHBondContact O-N 3.14Å; R99-T101 PolarHBondContact O-N 3.06Å; R99-T101 VanDerWaalsContact O-N 3.1Å |
| 100 | P | 74.6 | Confident | 66.9 | Low | 127 Ų | 127 | 140.4 Ų | 140.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -64.3 | 117.3 | 174.7 | 25.4 | -30.9 | 0 | 0 | 0 | 108.6 | | |
| 101 | T | 73.2 | Confident | 67 | Low | 138 Ų | 138 | 131.8 Ų | 131.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -90 | 101.6 | 164.9 | -46.4 | 0 | 0 | 0 | 0 | 105.1 | R99 | R99-T101 PolarHBondContact O-N 3.06Å; R99-T101 VanDerWaalsContact O-N 3.1Å |
| 102 | C | 62.7 | Low | 67.6 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -79 | 121.7 | 169.8 | -169 | 0 | 0 | 0 | 0 | 107.5 | | |
| 103 | A | 63 | Low | 68.4 | Low | 159 Ų | 159 | 139.3 Ų | 139.3 | 100% | 1.314 | 81% | 0.808 | S | S | * | * | | | trans | -70.3 | 0 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |