| 1 | M | 47.8 | Very low | 53.8 | Low | 238 Ų | 238 | 123.7 Ų | 123.7 | 100% | 1.172 | 72% | 0.723 | S | S | * | * | | | | 0 | 94.2 | 0 | -71.4 | 149.7 | 104.1 | 0 | 0 | 105.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.47Š|
| 2 | D | 46.9 | Very low | 54.7 | Low | 165 Ų | 165 | 128.6 Ų | 128.6 | 88% | 0.882 | 72% | 0.72 | S | S | * | * | | | trans | -77.1 | 111.9 | -174.8 | -128.3 | -88.7 | 0 | 0 | 0 | 108.9 | S4 | D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 VanDerWaalsContact O-N 3.13Å |
| 3 | Q | 48.4 | Very low | 55.9 | Low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 71% | 0.706 | S | S | * | * | | | trans | -80 | 87.9 | 176.1 | -72.8 | -179.7 | 67.9 | 0 | 0 | 108.7 | M1 A5 | M1-Q3 PolarHBondContact O-N 3.47Å; Q3-A5 PolarHBondContact O-N 3.17Å |
| 4 | S | 50.4 | Low | 57 | Low | 96 Ų | 96 | 122.8 Ų | 122.8 | 67% | 0.671 | 68% | 0.682 | S | S | * | * | | | trans | -72 | 90.1 | 169 | 169.5 | 0 | 0 | 0 | 0 | 109.7 | D2 T6 | D2-S4 PolarHBondContact O-N 3.26Å; D2-S4 VanDerWaalsContact O-N 3.13Å; S4-T6 PolarHBondContact O-N 3.39Å; S4-T6 VanDerWaalsContact O-N 3.11Å |
| 5 | A | 56.1 | Low | 58.2 | Low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | | | trans | -74.1 | 91.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | Q3 G7 | Q3-A5 PolarHBondContact O-N 3.17Å; A5-G7 PolarHBondContact O-N 3.08Å |
| 6 | T | 54.8 | Low | 59.3 | Low | 130 Ų | 130 | 119.6 Ų | 119.6 | 80% | 0.798 | 67% | 0.665 | S | S | * | * | | | trans | -75.6 | 73.1 | 166.4 | 33.4 | 0 | 0 | 0 | 0 | 109.7 | S4 | S4-T6 PolarHBondContact O-N 3.39Å; S4-T6 VanDerWaalsContact O-N 3.11Å |
| 7 | G | 54.6 | Low | 60.4 | Low | 56 Ų | 56 | 122.6 Ų | 122.6 | 58% | 0.577 | 66% | 0.664 | S | S | * | * | | | trans | -84.2 | 117 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A5 Q9 | A5-G7 PolarHBondContact O-N 3.08Å; G7-Q9 PolarHBondContact O-N 3.01Å |
| 8 | V | 56.3 | Low | 61.6 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | | | trans | -60.1 | 109.4 | 168.2 | 176.6 | 0 | 0 | 0 | 0 | 108.4 | L10 L35 | V8-L10 PolarHBondContact O-N 2.85Å; V8-L35 HydrophobicContact CG1-CD2 4.13Å |
| 9 | Q | 56.1 | Low | 62.4 | Low | 151 Ų | 151 | 115.2 Ų | 115.2 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | | | trans | -80.1 | 111.6 | 176.7 | -79.3 | -72.7 | -55.1 | 0 | 0 | 109.6 | G7 A11 | G7-Q9 PolarHBondContact O-N 3.01Å; Q9-A11 PolarHBondContact O-N 3Å |
| 10 | L | 57.4 | Low | 63.3 | Low | 96 Ų | 96 | 114.7 Ų | 114.7 | 50% | 0.503 | 64% | 0.635 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 100.8 | 174.9 | -166.7 | 66.1 | 0 | 0 | 0 | 109.4 | V8 L33 L35 | V8-L10 PolarHBondContact O-N 2.85Å; L10-L33 HydrophobicContact CD1-CD1 3.47Å; L10-L33 VanDerWaalsContact CD1-CD1 3.47Å; L10-L33 HydrophobicContact CD1-CD2 3.89Å; L10-L33 HydrophobicContact CD1-CG 3.51Å; L10-L33 HydrophobicContact CD2-CD1 3.79Å; L10-L33 HydrophobicContact CG-CD1 3.5Å; L10-L33 VanDerWaalsContact CG-CD1 3.5Å; L10-L33 HydrophobicContact CG-CG 4.14Å; L10-L35 HydrophobicContact CD1-CD2 4.06Å; L10-L35 HydrophobicContact CD1-CG 4.23Å |
| 11 | A | 62.7 | Low | 64.1 | Low | 38 Ų | 38 | 113.2 Ų | 113.2 | 31% | 0.314 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.2 | 122.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q9 C34 | Q9-A11 PolarHBondContact O-N 3Å; A11-C34 HydrophobicContact CB-CB 4.31Å; A11-C34 PolarHBondContact N-O 3.08Å; A11-C34 WeakPolarHBondContact O-CB 3.47Å; A11-C34 PolarHBondContact O-N 2.82Å |
| 12 | R | 64.5 | Low | 65.4 | Low | 182 Ų | 182 | 109.5 Ų | 109.5 | 69% | 0.687 | 61% | 0.614 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.8 | 172.2 | -63.8 | 175.9 | 75.3 | -179 | 3.9 | 108.6 | L33 | R12-L33 HydrophobicContact CG-CD1 3.99Å |
| 13 | K | 70.3 | Confident | 67.1 | Low | 124 Ų | 124 | 105.4 Ų | 105.4 | 54% | 0.539 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.3 | 173 | -63.8 | -178.3 | -179.7 | -176.4 | 0 | 108.4 | L32 | K13-L32 PolarHBondContact N-O 3.26Å; K13-L32 PolarHBondContact O-N 3.15Å |
| 14 | S | 72.3 | Confident | 68.3 | Low | 52 Ų | 52 | 102.7 Ų | 102.7 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.1 | 171.9 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | A30 | S14-A30 WeakPolarHBondContact CA-O 3.49Å |
| 15 | L | 74.4 | Confident | 69.9 | Low | 109 Ų | 109 | 102.7 Ų | 102.7 | 57% | 0.571 | 60% | 0.595 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.3 | 118 | 168.9 | -179.1 | 63.8 | 0 | 0 | 0 | 108.5 | C29 A30 | L15-C29 WeakPolarHBondContact O-CA 3.28Å; L15-A30 PolarHBondContact N-O 2.9Å; L15-A30 PolarHBondContact O-N 3.14Å |
| 16 | T | 76.6 | Confident | 71 | Confident | 85 Ų | 85 | 105.6 Ų | 105.6 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.2 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 109.1 | V27 L28 C29 | T16-V27 HydrophobicContact CG2-CG1 3.21Å; T16-L28 CarbonylContact C-O 3.55Å; T16-L28 WeakPolarHBondContact CA-O 3.45Å; T16-C29 PolarHBondContact OG1-SG 2.86Å; T16-C29 VanDerWaalsContact OG1-SG 3.38Å |
| 17 | R | 78.1 | Confident | 72.3 | Confident | 172 Ų | 172 | 103.6 Ų | 103.6 | 65% | 0.649 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 116.2 | 176.2 | -174.5 | 176.5 | 178.6 | -174.6 | -1.1 | 109.6 | T19 L28 | R17-T19 HydrophobicContact CG-CG2 4.17Å; R17-L28 PolarHBondContact N-O 3.48Å; R17-L28 PolarHBondContact O-N 3.38Å |
| 18 | A | 80.7 | Confident | 73.6 | Confident | 66 Ų | 66 | 105.7 Ų | 105.7 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77 | 130.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | T25 R26 V27 | A18-T25 HydrophobicContact CB-CG2 4.25Å; A18-R26 CarbonylContact C-O 3.57Å; A18-R26 WeakPolarHBondContact CA-O 3.45Å; A18-V27 HydrophobicContact CB-CG2 4.39Å |
| 19 | T | 76.8 | Confident | 74.7 | Confident | 37 Ų | 37 | 104.3 Ų | 104.3 | 23% | 0.227 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.8 | 127.4 | 172.3 | 58.7 | 0 | 0 | 0 | 0 | 108.3 | R17 R26 L28 | R17-T19 HydrophobicContact CG-CG2 4.17Å; T19-R26 PolarHBondContact N-O 2.99Å; T19-R26 PolarHBondContact O-N 3.31Å; T19-R26 VanDerWaalsContact O-O 3.12Å; T19-R26 PolarHBondContact OG1-O 3.08Å; T19-L28 HydrophobicContact CG2-CD1 4.24Å |
| 20 | T | 81.4 | Confident | 75.6 | Confident | 105 Ų | 105 | 99.7 Ų | 99.7 | 64% | 0.644 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93 | 118.2 | 173.6 | 52 | 0 | 0 | 0 | 0 | 108.6 | E24 T25 | T20-E24 CarbonylContact C-O 3.52Å; T20-E24 VanDerWaalsContact CA-O 3.28Å; T20-E24 WeakPolarHBondContact CA-O 3.39Å; T20-T25 HydrophobicContact CG2-CG2 4.23Å; T20-T25 WeakPolarHBondContact CG2-OG1 3.38Å |
| 21 | V | 80.3 | Confident | 76.7 | Confident | 84 Ų | 84 | 103.1 Ų | 103.1 | 51% | 0.509 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.6 | 124.1 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 107.5 | G23 E24 | V21-G23 VanDerWaalsContact C-N 3.29Å; V21-G23 PolarHBondContact O-N 3.13Å; V21-E24 PolarHBondContact N-O 3.47Å; V21-E24 WeakPolarHBondContact O-CB 3.45Å; V21-E24 PolarHBondContact O-N 2.77Å |
| 22 | N | 74.2 | Confident | 77.1 | Confident | 160 Ų | 160 | 106.3 Ų | 106.3 | 86% | 0.856 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.1 | 36 | 179.7 | -157.2 | 25.2 | 0 | 0 | 0 | 114.9 | E24 | N22-E24 PolarHBondContact O-N 3.3Š|
| 23 | G | 82.4 | Confident | 77.6 | Confident | 80 Ų | 80 | 102.7 Ų | 102.7 | 83% | 0.825 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.1 | -7.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V21 | V21-G23 VanDerWaalsContact C-N 3.29Å; V21-G23 PolarHBondContact O-N 3.13Å |
| 24 | E | 74.9 | Confident | 77.3 | Confident | 130 Ų | 130 | 98.6 Ų | 98.6 | 61% | 0.607 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 126 | 175.2 | -60.4 | -175.2 | 123.6 | 0 | 0 | 110.5 | T20 V21 N22 R26 | T20-E24 CarbonylContact C-O 3.52Å; T20-E24 VanDerWaalsContact CA-O 3.28Å; T20-E24 WeakPolarHBondContact CA-O 3.39Å; V21-E24 PolarHBondContact N-O 3.47Å; V21-E24 WeakPolarHBondContact O-CB 3.45Å; V21-E24 PolarHBondContact O-N 2.77Å; N22-E24 PolarHBondContact O-N 3.3Å; E24-R26 PolarHBondContact O-N 2.77Å |
| 25 | T | 81.9 | Confident | 77 | Confident | 96 Ų | 96 | 101 Ų | 101 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.5 | 114.2 | 173.4 | -54.6 | 0 | 0 | 0 | 0 | 109.4 | A18 T20 | A18-T25 HydrophobicContact CB-CG2 4.25Å; T20-T25 HydrophobicContact CG2-CG2 4.23Å; T20-T25 WeakPolarHBondContact CG2-OG1 3.38Å |
| 26 | R | 79.9 | Confident | 76.5 | Confident | 160 Ų | 160 | 102.2 Ų | 102.2 | 60% | 0.604 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.5 | 131.3 | 175.3 | -55.6 | -175.1 | 79.2 | -170.5 | 5.1 | 109.1 | A18 T19 E24 | A18-R26 CarbonylContact C-O 3.57Å; A18-R26 WeakPolarHBondContact CA-O 3.45Å; T19-R26 PolarHBondContact N-O 2.99Å; T19-R26 PolarHBondContact O-N 3.31Å; T19-R26 VanDerWaalsContact O-O 3.12Å; T19-R26 PolarHBondContact OG1-O 3.08Å; E24-R26 PolarHBondContact O-N 2.77Å |
| 27 | V | 83.2 | Confident | 75.5 | Confident | 88 Ų | 88 | 105.7 Ų | 105.7 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.3 | 119.3 | 177.9 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | T16 A18 | T16-V27 HydrophobicContact CG2-CG1 3.21Å; A18-V27 HydrophobicContact CB-CG2 4.39Å |
| 28 | L | 81.1 | Confident | 74.3 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.3 | 118.7 | 175.6 | -60.9 | 176.4 | 0 | 0 | 0 | 109.1 | T16 R17 T19 | T16-L28 CarbonylContact C-O 3.55Å; T16-L28 WeakPolarHBondContact CA-O 3.45Å; R17-L28 PolarHBondContact N-O 3.48Å; R17-L28 PolarHBondContact O-N 3.38Å; T19-L28 HydrophobicContact CG2-CD1 4.24Å |
| 29 | C | 78.5 | Confident | 72.9 | Confident | 75 Ų | 75 | 105.8 Ų | 105.8 | 51% | 0.507 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 119 | 171 | -69 | 0 | 0 | 0 | 0 | 109.1 | L15 T16 | L15-C29 WeakPolarHBondContact O-CA 3.28Å; T16-C29 PolarHBondContact OG1-SG 2.86Å; T16-C29 VanDerWaalsContact OG1-SG 3.38Å |
| 30 | A | 76.4 | Confident | 71.9 | Confident | 54 Ų | 54 | 109.5 Ų | 109.5 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113 | 126.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S14 L15 | S14-A30 WeakPolarHBondContact CA-O 3.49Å; L15-A30 PolarHBondContact N-O 2.9Å; L15-A30 PolarHBondContact O-N 3.14Å |
| 31 | W | 79.2 | Confident | 70.6 | Confident | 168 Ų | 168 | 110.7 Ų | 110.7 | 64% | 0.636 | 62% | 0.617 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 123.6 | 175.4 | -66.9 | 94.4 | 0 | 0 | 0 | 109.9 | | |
| 32 | L | 72.1 | Confident | 69.2 | Low | 106 Ų | 106 | 113.4 Ų | 113.4 | 56% | 0.555 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.8 | 127.3 | 172.7 | -74.8 | 162.6 | 0 | 0 | 0 | 109.3 | K13 | K13-L32 PolarHBondContact N-O 3.26Å; K13-L32 PolarHBondContact O-N 3.15Å |
| 33 | L | 75 | Confident | 68.2 | Low | 105 Ų | 105 | 109.8 Ų | 109.8 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 106.9 | 172.6 | -163.8 | 63.3 | 0 | 0 | 0 | 108.5 | L10 R12 | L10-L33 HydrophobicContact CD1-CD1 3.47Å; L10-L33 VanDerWaalsContact CD1-CD1 3.47Å; L10-L33 HydrophobicContact CD1-CD2 3.89Å; L10-L33 HydrophobicContact CD1-CG 3.51Å; L10-L33 HydrophobicContact CD2-CD1 3.79Å; L10-L33 HydrophobicContact CG-CD1 3.5Å; L10-L33 VanDerWaalsContact CG-CD1 3.5Å; L10-L33 HydrophobicContact CG-CG 4.14Å; R12-L33 HydrophobicContact CG-CD1 3.99Å |
| 34 | C | 64.6 | Low | 66.7 | Low | 38 Ų | 38 | 110.1 Ų | 110.1 | 26% | 0.257 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.4 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 109.1 | A11 H36 | A11-C34 HydrophobicContact CB-CB 4.31Å; A11-C34 PolarHBondContact N-O 3.08Å; A11-C34 WeakPolarHBondContact O-CB 3.47Å; A11-C34 PolarHBondContact O-N 2.82Å; C34-H36 PolarHBondContact O-N 2.86Å |
| 35 | L | 65.6 | Low | 65.6 | Low | 104 Ų | 104 | 109.1 Ų | 109.1 | 55% | 0.545 | 64% | 0.636 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 104.3 | 162.2 | -76.7 | 150.4 | 0 | 0 | 0 | 107.5 | V8 L10 H37 | V8-L35 HydrophobicContact CG1-CD2 4.13Å; L10-L35 HydrophobicContact CD1-CD2 4.06Å; L10-L35 HydrophobicContact CD1-CG 4.23Å; L35-H37 PolarHBondContact O-N 2.95Å; L35-H37 VanDerWaalsContact O-N 3.12Å |
| 36 | H | 62.7 | Low | 64.1 | Low | 133 Ų | 133 | 108.4 Ų | 108.4 | 62% | 0.616 | 65% | 0.647 | S | S | * | * | | | trans | -71.8 | 100.5 | 166.2 | -112.1 | -96.7 | 0 | 0 | 0 | 107.5 | C34 A38 | C34-H36 PolarHBondContact O-N 2.86Å; H36-A38 PolarHBondContact O-N 2.88Å |
| 37 | H | 56.1 | Low | 62.6 | Low | 159 Ų | 159 | 105 Ų | 105 | 74% | 0.736 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 116.8 | 163.3 | -71.8 | 89.1 | 0 | 0 | 0 | 106.6 | L35 D39 | L35-H37 PolarHBondContact O-N 2.95Å; L35-H37 VanDerWaalsContact O-N 3.12Å; H37-D39 PolarHBondContact O-N 2.8Å |
| 38 | A | 52.9 | Low | 61.3 | Low | 89 Ų | 89 | 104.5 Ų | 104.5 | 74% | 0.736 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 127 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | H36 | H36-A38 PolarHBondContact O-N 2.88Š|
| 39 | D | 52.5 | Low | 59.6 | Low | 150 Ų | 150 | 108.3 Ų | 108.3 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 127.1 | 177.9 | -69.9 | -70.1 | 0 | 0 | 0 | 110.3 | H37 V41 | H37-D39 PolarHBondContact O-N 2.8Å; D39-V41 PolarHBondContact O-N 2.82Å |
| 40 | P | 54.1 | Low | 58.4 | Low | 116 Ų | 116 | 108 Ų | 108 | 75% | 0.753 | 71% | 0.705 | S | S | * | * | | | trans | -65.9 | 107.9 | 163.9 | 28.2 | -29.5 | 0 | 0 | 0 | 105.9 | T42 | P40-T42 PolarHBondContact O-N 2.71Š|
| 41 | V | 54 | Low | 57.6 | Low | 129 Ų | 129 | 116.8 Ų | 116.8 | 78% | 0.782 | 73% | 0.727 | S | S | * | * | | | trans | -38.3 | 119.2 | 166.8 | 58.5 | 0 | 0 | 0 | 0 | 108.6 | D39 A43 | D39-V41 PolarHBondContact O-N 2.82Å; V41-A43 PolarHBondContact O-N 2.84Å |
| 42 | T | 51.8 | Low | 56.1 | Low | 142 Ų | 142 | 115.2 Ų | 115.2 | 87% | 0.871 | 74% | 0.736 | S | S | * | * | | | trans | -62.6 | 82.7 | 178.6 | -59.2 | 0 | 0 | 0 | 0 | 109 | P40 | P40-T42 PolarHBondContact O-N 2.71Š|
| 43 | A | 52.8 | Low | 55.3 | Low | 84 Ų | 84 | 114.8 Ų | 114.8 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | | | trans | -95.7 | 93.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | V41 | V41-A43 PolarHBondContact O-N 2.84Š|
| 44 | A | 51.3 | Low | 54.7 | Low | 87 Ų | 87 | 115.4 Ų | 115.4 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | | | | 70 | 108.4 | 92.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 45 | A | 51.9 | Low | 54.4 | Low | 109 Ų | 109 | 119 Ų | 119 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | | | trans | 70.3 | 128 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 46 | G | 50.9 | Low | 53.9 | Low | 80 Ų | 80 | 122.3 Ų | 122.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 104.1 | 107 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 47 | G | 48.3 | Very low | 53.7 | Low | 90 Ų | 90 | 121.7 Ų | 121.7 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | | | cis | 86.4 | 96.2 | 46.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 48 | G | 55.1 | Low | 53.6 | Low | 77 Ų | 77 | 119.8 Ų | 119.8 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | 166 | 93.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 49 | D | 45.3 | Very low | 53.5 | Low | 179 Ų | 179 | 119.6 Ų | 119.6 | 96% | 0.957 | 79% | 0.792 | S | S | * | * | | | trans | -56.2 | 128.3 | 166.1 | -64.8 | -66.1 | 0 | 0 | 0 | 111.1 | | |
| 50 | G | 53.2 | Low | 53.6 | Low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 166.2 | 97.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 51 | R | 60.1 | Low | 53.2 | Low | 238 Ų | 238 | 119.7 Ų | 119.7 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | | | trans | 64.3 | 93.2 | 155.2 | -64.9 | -172.8 | 168.2 | 121.1 | -1 | 116.8 | A53 | R51-A53 PolarHBondContact O-N 2.78Å; R51-A53 VanDerWaalsContact O-N 3.12Å |
| 52 | T | 49 | Very low | 52.9 | Low | 136 Ų | 136 | 122.6 Ų | 122.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | | | trans | -2.3 | 94.8 | 142.8 | 50.9 | 0 | 0 | 0 | 0 | 115.9 | | |
| 53 | A | 54.6 | Low | 52.2 | Low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -94.1 | 96.7 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | R51 | R51-A53 PolarHBondContact O-N 2.78Å; R51-A53 VanDerWaalsContact O-N 3.12Å |
| 54 | V | 61 | Low | 51.8 | Low | 117 Ų | 117 | 125.8 Ų | 125.8 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 124.7 | 176.9 | -162.6 | 0 | 0 | 0 | 0 | 107.8 | L56 | V54-L56 PolarHBondContact O-N 2.98Š|
| 55 | P | 59.6 | Low | 51.7 | Low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | | | trans | -65.6 | 123.3 | 169.9 | -14.3 | 28.7 | 0 | 0 | 0 | 108.5 | D57 | P55-D57 PolarHBondContact O-N 2.87Š|
| 56 | L | 55.1 | Low | 51.8 | Low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | | | trans | -67 | 105 | 173.6 | -65 | 171.3 | 0 | 0 | 0 | 108.6 | V54 | V54-L56 PolarHBondContact O-N 2.98Š|
| 57 | D | 59.2 | Low | 51.5 | Low | 121 Ų | 121 | 136.3 Ų | 136.3 | 65% | 0.647 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 128.5 | 172.1 | 174.4 | 72.4 | 0 | 0 | 0 | 111 | P55 S59 | P55-D57 PolarHBondContact O-N 2.87Å; D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 PolarHBondContact OD2-N 2.93Å; D57-S59 PolarHBondContact OD2-OG 3.21Å |
| 58 | P | 54 | Low | 51.6 | Low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -80.5 | 88.7 | 169.4 | 32.3 | -29.9 | 0 | 0 | 0 | 109.1 | P60 | P58-P60 WeakPolarHBondContact O-CD 3.48Š|
| 59 | S | 50.6 | Low | 51.4 | Low | 85 Ų | 85 | 146.3 Ų | 146.3 | 59% | 0.594 | 80% | 0.803 | S | S | * | * | | | trans | -57 | 134 | 176.2 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | D57 | D57-S59 PolarHBondContact O-N 3.41Å; D57-S59 VanDerWaalsContact O-N 3.1Å; D57-S59 PolarHBondContact OD2-N 2.93Å; D57-S59 PolarHBondContact OD2-OG 3.21Å |
| 60 | P | 53.2 | Low | 51.6 | Low | 112 Ų | 112 | 148.9 Ų | 148.9 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -100.1 | 108.4 | 147.7 | 25.8 | -10.9 | 0 | 0 | 0 | 108.9 | P58 F62 | P58-P60 WeakPolarHBondContact O-CD 3.48Å; P60-F62 PolarHBondContact O-N 3.45Å |
| 61 | L | 46.8 | Very low | 51.6 | Low | 156 Ų | 156 | 151.5 Ų | 151.5 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | | | trans | -61 | 93.6 | 174.5 | -64.5 | 170.4 | 0 | 0 | 0 | 111.8 | | |
| 62 | F | 47.6 | Very low | 51.3 | Low | 190 Ų | 190 | 146.3 Ų | 146.3 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | -146 | 69.1 | 162 | -74.3 | -79.3 | 0 | 0 | 0 | 111.2 | P60 | P60-F62 PolarHBondContact O-N 3.45Š|
| 63 | L | 36.5 | Very low | 51.3 | Low | 181 Ų | 181 | 142.5 Ų | 142.5 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | | | trans | -90.6 | 94.2 | 162.7 | -73.8 | 170.6 | 0 | 0 | 0 | 108.5 | | |
| 64 | T | 45 | Very low | 51.2 | Low | 113 Ų | 113 | 144.3 Ų | 144.3 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | | | trans | -134.6 | 129.7 | 154.8 | 92.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 65 | T | 48.1 | Very low | 50.7 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 82.9 | 98.2 | 156.2 | 66.1 | 0 | 0 | 0 | 0 | 120.3 | | |
| 66 | R | 54.2 | Low | 50.1 | Low | 242 Ų | 242 | 144.2 Ų | 144.2 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | | | trans | 76.4 | 109 | 139.9 | -72.7 | -170 | 168 | -173.3 | -2.8 | 119.9 | | |
| 67 | P | 45 | Very low | 49.8 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | | | trans | -99.6 | 107.5 | 173.3 | 35.3 | -23.4 | 0 | 0 | 0 | 110.9 | | |
| 68 | E | 50.2 | Low | 49.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | -170 | 100.2 | 152.3 | -125.5 | -165.7 | 115.6 | 0 | 0 | 108.9 | | |
| 69 | Q | 51 | Low | 49.5 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | -166.9 | 98.2 | 145.7 | -82.4 | -130 | -68.6 | 0 | 0 | 107.6 | T71 | Q69-T71 PolarHBondContact O-N 3.12Š|
| 70 | R | 50.7 | Low | 49.7 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -54.5 | 129.9 | 155.4 | -73 | 174.6 | 161.7 | 98.1 | -1.7 | 107.3 | | |
| 71 | T | 52.4 | Low | 49.9 | Very low | 124 Ų | 124 | 155.7 Ų | 155.7 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | | | trans | -179.7 | 118.9 | 148.6 | -77.9 | 0 | 0 | 0 | 0 | 109.6 | Q69 | Q69-T71 PolarHBondContact O-N 3.12Š|
| 72 | V | 54.6 | Low | 50.7 | Low | 128 Ų | 128 | 153.6 Ų | 153.6 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | 67.4 | 107.7 | 153.1 | 179.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 73 | G | 47.1 | Very low | 51.4 | Low | 57 Ų | 57 | 153.8 Ų | 153.8 | 59% | 0.588 | 81% | 0.806 | S | S | * | * | | | trans | -66.4 | 156.9 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | A75 | G73-A75 PolarHBondContact O-N 3.06Š|
| 74 | P | 53.7 | Low | 52.9 | Low | 135 Ų | 135 | 150.4 Ų | 150.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -74.9 | 77.5 | -179.3 | 31.8 | -33.8 | 0 | 0 | 0 | 110.7 | | |
| 75 | A | 50.1 | Low | 53.7 | Low | 78 Ų | 78 | 154.4 Ų | 154.4 | 65% | 0.645 | 80% | 0.802 | S | S | * | * | | | trans | -75.2 | 150.7 | 138.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | G73 | G73-A75 PolarHBondContact O-N 3.06Š|
| 76 | D | 47 | Very low | 54.3 | Low | 150 Ų | 150 | 155.4 Ų | 155.4 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | trans | 78.7 | 69.5 | -177.5 | -67.7 | -77.2 | 0 | 0 | 0 | 116.9 | | |
| 77 | S | 49.2 | Very low | 54.5 | Low | 113 Ų | 113 | 147.6 Ų | 147.6 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | trans | -139.6 | 33.4 | 144.8 | -74 | 0 | 0 | 0 | 0 | 112.5 | R79 | S77-R79 PolarHBondContact O-N 3.36Š|
| 78 | E | 52.8 | Low | 55.3 | Low | 192 Ų | 192 | 150.4 Ų | 150.4 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | | | trans | -67.7 | 64.5 | 150.9 | -169.7 | -176.8 | 117.1 | 0 | 0 | 108.6 | | |
| 79 | R | 54.1 | Low | 56 | Low | 223 Ų | 223 | 149.6 Ų | 149.6 | 84% | 0.842 | 80% | 0.8 | S | S | * | * | | | trans | -105.1 | 90.9 | 162.6 | -76.3 | -176.9 | 176.9 | -95.8 | -0.8 | 105.6 | S77 R81 | S77-R79 PolarHBondContact O-N 3.36Å; R79-R81 PolarHBondContact O-N 2.81Å |
| 80 | A | 53.6 | Low | 56.3 | Low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | | | trans | -37.7 | 90.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | C82 | A80-C82 PolarHBondContact O-N 3.48Š|
| 81 | R | 58.7 | Low | 56.4 | Low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | | | trans | -75.2 | 86.7 | 176.5 | -166.2 | 175.5 | -168.8 | -91.3 | 0.7 | 104.5 | R79 Y83 | R79-R81 PolarHBondContact O-N 2.81Å; R81-Y83 PolarHBondContact O-N 3.37Å |
| 82 | C | 62.5 | Low | 56.7 | Low | 112 Ų | 112 | 141.1 Ų | 141.1 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | | | trans | -45.6 | 104.5 | 176.3 | -66.6 | 0 | 0 | 0 | 0 | 108 | A80 P84 | A80-C82 PolarHBondContact O-N 3.48Å; C82-P84 WeakPolarHBondContact O-CD 3.49Å |
| 83 | Y | 63.1 | Low | 56.8 | Low | 194 Ų | 194 | 146.8 Ų | 146.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -64.3 | 118.2 | 166.7 | -149.3 | -90.9 | 0 | 0 | 0 | 104.8 | R81 K85 | R81-Y83 PolarHBondContact O-N 3.37Å; Y83-K85 PolarHBondContact O-N 3Å |
| 84 | P | 67.1 | Low | 57.3 | Low | 109 Ų | 109 | 150.8 Ų | 150.8 | 71% | 0.708 | 80% | 0.804 | S | S | * | * | | | trans | -58.6 | 115.3 | 174.4 | 23.7 | -29.6 | 0 | 0 | 0 | 106.2 | C82 D86 | C82-P84 WeakPolarHBondContact O-CD 3.49Å; P84-D86 PolarHBondContact O-N 3.31Å; P84-D86 VanDerWaalsContact O-N 3.13Å |
| 85 | K | 63.4 | Low | 58.1 | Low | 198 Ų | 198 | 152.9 Ų | 152.9 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -53.8 | 120.6 | 173.6 | -79 | -79.4 | -176.7 | -169.4 | 0 | 106.5 | Y83 G87 | Y83-K85 PolarHBondContact O-N 3Å; K85-G87 PolarHBondContact O-N 3.01Å |
| 86 | D | 59.3 | Low | 58.8 | Low | 148 Ų | 148 | 153.9 Ų | 153.9 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.3 | 126.8 | 176 | -58.1 | -71.8 | 0 | 0 | 0 | 111.3 | P84 | P84-D86 PolarHBondContact O-N 3.31Å; P84-D86 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 59.2 | Low | 59.2 | Low | 78 Ų | 78 | 155.4 Ų | 155.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 119 | 8.8 | 148 | 0 | 0 | 0 | 0 | 0 | 121.2 | K85 | K85-G87 PolarHBondContact O-N 3.01Š|
| 88 | E | 61.8 | Low | 59.8 | Low | 187 Ų | 187 | 157.6 Ų | 157.6 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -101.4 | 88.3 | 174.6 | -153.8 | 172.2 | -164 | 0 | 0 | 112.9 | C90 | E88-C90 PolarHBondContact O-N 3.11Å; E88-C90 VanDerWaalsContact O-N 3.08Å |
| 89 | L | 63.8 | Low | 60.3 | Low | 165 Ų | 165 | 154.5 Ų | 154.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -69.2 | 91.2 | 163 | -74.3 | 163.6 | 0 | 0 | 0 | 108.8 | M91 | L89-M91 PolarHBondContact O-N 2.96Š|
| 90 | C | 57.7 | Low | 60.6 | Low | 104 Ų | 104 | 151.1 Ų | 151.1 | 70% | 0.703 | 79% | 0.792 | S | S | * | * | | | trans | -69.8 | 98.4 | 171.3 | -169.3 | 0 | 0 | 0 | 0 | 109.8 | E88 S92 | E88-C90 PolarHBondContact O-N 3.11Å; E88-C90 VanDerWaalsContact O-N 3.08Å; C90-S92 VanDerWaalsContact C-N 3.34Å; C90-S92 PolarHBondContact O-N 2.94Å; C90-S92 PolarHBondContact SG-OG 3.39Å; C90-S92 VanDerWaalsContact SG-OG 3.39Å |
| 91 | M | 53.9 | Low | 60.8 | Low | 186 Ų | 186 | 152.7 Ų | 152.7 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -69.5 | 82.2 | 171.7 | -60.9 | -173.3 | 87 | 0 | 0 | 110.3 | L89 | L89-M91 PolarHBondContact O-N 2.96Š|
| 92 | S | 57.6 | Low | 61 | Low | 83 Ų | 83 | 150.3 Ų | 150.3 | 58% | 0.58 | 79% | 0.791 | S | S | * | * | | | trans | -167.1 | 65.8 | 170.3 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | C90 | C90-S92 VanDerWaalsContact C-N 3.34Å; C90-S92 PolarHBondContact O-N 2.94Å; C90-S92 PolarHBondContact SG-OG 3.39Å; C90-S92 VanDerWaalsContact SG-OG 3.39Å |
| 93 | R | 57 | Low | 60.6 | Low | 247 Ų | 247 | 151.1 Ų | 151.1 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | | | trans | -138.4 | 87 | 146.7 | -74.4 | -172.3 | 77.3 | -179.6 | 1.4 | 109.5 | | |
| 94 | T | 58.2 | Low | 60.8 | Low | 142 Ų | 142 | 153.3 Ų | 153.3 | 87% | 0.871 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 133 | 161.3 | -10.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 95 | K | 69.8 | Low | 60.3 | Low | 179 Ų | 179 | 153.2 Ų | 153.2 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 132.8 | 179.2 | -172.1 | -176.1 | -177.8 | -170.8 | 0 | 111.3 | E97 | K95-E97 PolarHBondContact O-N 3.1Š|
| 96 | P | 65.3 | Low | 60 | Low | 99 Ų | 99 | 147.4 Ų | 147.4 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 118.2 | 161.4 | 31 | -28.1 | 0 | 0 | 0 | 108.3 | E98 | P96-E98 HydrophobicContact CB-CG 4.13Š|
| 97 | E | 55 | Low | 59.9 | Low | 182 Ų | 182 | 146.4 Ų | 146.4 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | | | trans | -93.4 | 89.5 | 167.2 | -174.5 | 174.8 | 122.5 | 0 | 0 | 107.2 | K95 | K95-E97 PolarHBondContact O-N 3.1Š|
| 98 | E | 61 | Low | 60.1 | Low | 159 Ų | 159 | 149.3 Ų | 149.3 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | | | trans | -173.3 | 133.9 | 177.6 | 54 | -177.9 | 128.3 | 0 | 0 | 106.2 | P96 | P96-E98 HydrophobicContact CB-CG 4.13Š|
| 99 | T | 64.6 | Low | 60.1 | Low | 127 Ų | 127 | 146.3 Ų | 146.3 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | cis | -159.8 | 152.7 | 6.5 | -74.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 100 | L | 60.3 | Low | 60.3 | Low | 152 Ų | 152 | 145.8 Ų | 145.8 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -50.6 | 141.7 | 179.2 | -62.9 | 158.2 | 0 | 0 | 0 | 115.1 | | |
| 101 | V | 57.6 | Low | 60.6 | Low | 122 Ų | 122 | 148.2 Ų | 148.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | 54.4 | 117.1 | 135 | -177.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 102 | E | 63.7 | Low | 61.5 | Low | 183 Ų | 183 | 144.9 Ų | 144.9 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | | -149.2 | 121.8 | 121.9 | -101.9 | -174.3 | 170.8 | 0 | 0 | 110 | R104 | E102-R104 PolarHBondContact O-N 3.31Å; E102-R104 VanDerWaalsContact O-N 3.17Å |
| 103 | V | 54.2 | Low | 62.3 | Low | 129 Ų | 129 | 151.2 Ų | 151.2 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | trans | -68.6 | 103 | 174.1 | 172.3 | 0 | 0 | 0 | 0 | 108.2 | S105 | V103-S105 PolarHBondContact O-N 3.13Š|
| 104 | R | 65.6 | Low | 62.9 | Low | 241 Ų | 241 | 145.3 Ų | 145.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -87.6 | 84.9 | 166.8 | -61.3 | -172.2 | 83.9 | -179.6 | 5.9 | 108.8 | E102 | E102-R104 PolarHBondContact O-N 3.31Å; E102-R104 VanDerWaalsContact O-N 3.17Å |
| 105 | S | 57.3 | Low | 63.5 | Low | 107 Ų | 107 | 145.1 Ų | 145.1 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | -72.7 | 130.9 | 164.1 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | V103 | V103-S105 PolarHBondContact O-N 3.13Š|
| 106 | G | 57.1 | Low | 63 | Low | 75 Ų | 75 | 142.3 Ų | 142.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | 98.9 | 93.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 107 | V | 57.4 | Low | 62.7 | Low | 127 Ų | 127 | 145.4 Ų | 145.4 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | | -169.2 | 132.5 | 97.3 | 85.5 | 0 | 0 | 0 | 0 | 108.4 | V109 | V107-V109 HydrophobicContact CG1-CG1 4.41Å; V107-V109 PolarHBondContact O-N 3.39Å; V107-V109 VanDerWaalsContact O-N 3.08Å |
| 108 | D | 63.4 | Low | 63.1 | Low | 139 Ų | 139 | 143.6 Ų | 143.6 | 74% | 0.743 | 81% | 0.812 | S | S | * | * | | | trans | -64 | 104.4 | 173.9 | -130.5 | -32.2 | 0 | 0 | 0 | 108.1 | Q110 | D108-Q110 PolarHBondContact O-N 3.06Š|
| 109 | V | 62.2 | Low | 63.2 | Low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | | | trans | -75.5 | 71.7 | 172.6 | -81.6 | 0 | 0 | 0 | 0 | 108.7 | V107 I111 | V107-V109 HydrophobicContact CG1-CG1 4.41Å; V107-V109 PolarHBondContact O-N 3.39Å; V107-V109 VanDerWaalsContact O-N 3.08Å; V109-I111 PolarHBondContact O-N 2.75Å; V109-I111 VanDerWaalsContact O-N 3.15Å |
| 110 | Q | 68.1 | Low | 63.1 | Low | 153 Ų | 153 | 143.6 Ų | 143.6 | 72% | 0.715 | 82% | 0.818 | S | S | * | * | | | trans | -61.1 | 114.1 | 167.4 | -73.6 | -173.5 | 58.1 | 0 | 0 | 108.5 | D108 T112 | D108-Q110 PolarHBondContact O-N 3.06Å; Q110-T112 PolarHBondContact O-N 3.07Å |
| 111 | I | 63.3 | Low | 63.3 | Low | 155 Ų | 155 | 143.1 Ų | 143.1 | 80% | 0.795 | 82% | 0.819 | S | S | * | * | | | trans | -72.6 | 83.6 | 171.4 | -57.5 | 174 | 0 | 0 | 0 | 107.2 | V109 R113 | V109-I111 PolarHBondContact O-N 2.75Å; V109-I111 VanDerWaalsContact O-N 3.15Å; I111-R113 PolarHBondContact O-N 3.29Å; I111-R113 VanDerWaalsContact O-N 3.14Å |
| 112 | T | 72.3 | Confident | 63.7 | Low | 117 Ų | 117 | 144.4 Ų | 144.4 | 72% | 0.718 | 82% | 0.824 | S | S | * | * | | | trans | -69.1 | 106.3 | 169.4 | -58.7 | 0 | 0 | 0 | 0 | 108.1 | Q110 P114 | Q110-T112 PolarHBondContact O-N 3.07Å; T112-P114 WeakPolarHBondContact O-CD 3.46Å |
| 113 | R | 74.2 | Confident | 63.7 | Low | 215 Ų | 215 | 141.9 Ų | 141.9 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | | | trans | -68.6 | 122.2 | 166.8 | -66.1 | -173.3 | 173.6 | -163.2 | -1.9 | 107.7 | I111 T115 | I111-R113 PolarHBondContact O-N 3.29Å; I111-R113 VanDerWaalsContact O-N 3.14Å; R113-T115 PolarHBondContact O-N 3.12Å; R113-T115 VanDerWaalsContact O-N 3.08Å |
| 114 | P | 70.6 | Confident | 64.3 | Low | 124 Ų | 124 | 142.8 Ų | 142.8 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | | | trans | -70.6 | 108.1 | 173 | 27.8 | -30.4 | 0 | 0 | 0 | 108.3 | T112 | T112-P114 WeakPolarHBondContact O-CD 3.46Š|
| 115 | T | 70.8 | Confident | 64.2 | Low | 137 Ų | 137 | 135.2 Ų | 135.2 | 84% | 0.84 | 82% | 0.819 | S | S | * | * | | | trans | -84 | 105.8 | 160.4 | -46.5 | 0 | 0 | 0 | 0 | 106 | R113 | R113-T115 PolarHBondContact O-N 3.12Å; R113-T115 VanDerWaalsContact O-N 3.08Å |
| 116 | C | 59.9 | Low | 64.8 | Low | 121 Ų | 121 | 137.6 Ų | 137.6 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | | | trans | -69.6 | 132.8 | 170.8 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 117 | A | 58.7 | Low | 65.5 | Low | 163 Ų | 163 | 143.3 Ų | 143.3 | 100% | 1.347 | 83% | 0.829 | S | S | * | * | | | trans | -62.2 | 0 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |