| 1 | T | 46.8 | Very low | 58.7 | Low | 199 Ų | 199 | 151.6 Ų | 151.6 | 100% | 1.221 | 83% | 0.829 | S | S | * | * | | | | 0 | 87.5 | 0 | -48.1 | 0 | 0 | 0 | 0 | 107.7 | | |
| 2 | E | 46.6 | Very low | 58.8 | Low | 193 Ų | 193 | 151.5 Ų | 151.5 | 90% | 0.902 | 83% | 0.825 | S | S | * | * | | | trans | -77.1 | 136.2 | -176.7 | -81 | 178.1 | 130.7 | 0 | 0 | 110.8 | | |
| 3 | G | 57.3 | Low | 58.9 | Low | 79 Ų | 79 | 151.6 Ų | 151.6 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | | | trans | -72.5 | 126 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K5 | G3-K5 PolarHBondContact O-N 3.47Š|
| 4 | L | 57.9 | Low | 58.9 | Low | 172 Ų | 172 | 151.6 Ų | 151.6 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | | | trans | -80.1 | 111.9 | 172.3 | -61.6 | 176.8 | 0 | 0 | 0 | 109.2 | | |
| 5 | K | 71.5 | Confident | 59.1 | Low | 186 Ų | 186 | 147.8 Ų | 147.8 | 81% | 0.809 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 132 | 173.3 | -173.8 | 174.9 | -178.4 | 176.2 | 0 | 109.5 | G3 | G3-K5 PolarHBondContact O-N 3.47Š|
| 6 | P | 66.1 | Low | 59.3 | Low | 103 Ų | 103 | 150.4 Ų | 150.4 | 67% | 0.669 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 150.1 | 178.1 | 26.8 | -32.2 | 0 | 0 | 0 | 111.7 | L8 | P6-L8 PolarHBondContact O-N 3.1Š|
| 7 | P | 60.8 | Low | 59.6 | Low | 119 Ų | 119 | 150.8 Ų | 150.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 130.6 | 179.1 | -16.9 | 29.5 | 0 | 0 | 0 | 111.2 | R9 | P7-R9 PolarHBondContact O-N 3.42Š|
| 8 | L | 61.7 | Low | 60.1 | Low | 137 Ų | 137 | 150.9 Ų | 150.9 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | -68.4 | 116 | 176.1 | -146.5 | 91.4 | 0 | 0 | 0 | 108.7 | P6 H10 | P6-L8 PolarHBondContact O-N 3.1Å; L8-H10 PolarHBondContact O-N 2.85Å; L8-H10 VanDerWaalsContact O-N 3.1Å |
| 9 | R | 59.6 | Low | 61 | Low | 237 Ų | 237 | 148.5 Ų | 148.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | | | trans | -74.7 | 102.8 | 176.6 | -59.4 | -118.8 | -89.8 | -152.3 | -3.8 | 107.7 | P7 A11 | P7-R9 PolarHBondContact O-N 3.42Å; R9-A11 VanDerWaalsContact C-N 3.34Å; R9-A11 PolarHBondContact O-N 2.87Å |
| 10 | H | 60.9 | Low | 61.6 | Low | 162 Ų | 162 | 149 Ų | 149 | 75% | 0.75 | 79% | 0.792 | S | S | * | * | | | trans | -64.1 | 100.1 | 165.3 | -79.7 | -79.9 | 0 | 0 | 0 | 107.7 | L8 L12 | L8-H10 PolarHBondContact O-N 2.85Å; L8-H10 VanDerWaalsContact O-N 3.1Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.29Å |
| 11 | A | 56.3 | Low | 62.3 | Low | 81 Ų | 81 | 149.8 Ų | 149.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | trans | -66.1 | 98.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | R9 N13 | R9-A11 VanDerWaalsContact C-N 3.34Å; R9-A11 PolarHBondContact O-N 2.87Å; A11-N13 PolarHBondContact O-N 3.32Å |
| 12 | L | 60.6 | Low | 63.9 | Low | 150 Ų | 150 | 148.7 Ų | 148.7 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | trans | -64.1 | 97.7 | 162.3 | -61.4 | 178.4 | 0 | 0 | 0 | 105.2 | H10 L14 | H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.29Å; L12-L14 PolarHBondContact O-N 2.92Å |
| 13 | N | 59.9 | Low | 65.4 | Low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 86.7 | 162.2 | -76.2 | -79.2 | 0 | 0 | 0 | 105.4 | A11 S15 | A11-N13 PolarHBondContact O-N 3.32Å; N13-S15 PolarHBondContact O-N 3.45Å |
| 14 | L | 58.8 | Low | 66.4 | Low | 151 Ų | 151 | 148.2 Ų | 148.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -62.9 | 92 | 157.6 | -122.4 | 78.3 | 0 | 0 | 0 | 103.5 | L12 Q16 | L12-L14 PolarHBondContact O-N 2.92Å; L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.33Å |
| 15 | S | 62.3 | Low | 67.7 | Low | 95 Ų | 95 | 149.4 Ų | 149.4 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | | | trans | -51 | 111.3 | 155.4 | 47.5 | 0 | 0 | 0 | 0 | 104.5 | N13 E17 | N13-S15 PolarHBondContact O-N 3.45Å; S15-E17 PolarHBondContact O-N 2.92Å |
| 16 | Q | 61.3 | Low | 68.1 | Low | 190 Ų | 190 | 145 Ų | 145 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | | | trans | -67.4 | 77.6 | 176.3 | -172.3 | 175.1 | -0.1 | 0 | 0 | 106.5 | L14 K18 | L14-Q16 VanDerWaalsContact C-N 3.3Å; L14-Q16 PolarHBondContact O-N 3.33Å; Q16-K18 VanDerWaalsContact C-N 3.32Å; Q16-K18 PolarHBondContact O-N 3.14Å |
| 17 | E | 64.4 | Low | 68.8 | Low | 157 Ų | 157 | 143.9 Ų | 143.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | trans | -73.3 | 95.7 | 174.6 | -171.1 | 178.4 | 175.8 | 0 | 0 | 105.6 | S15 V19 | S15-E17 PolarHBondContact O-N 2.92Å; E17-V19 HydrophobicContact CG-CG2 4.19Å; E17-V19 PolarHBondContact O-N 3.31Å |
| 18 | K | 68.6 | Low | 69.7 | Low | 153 Ų | 153 | 143.5 Ų | 143.5 | 67% | 0.665 | 74% | 0.737 | S | S | * | * | | | trans | -65.7 | 85.4 | 167.7 | 179.8 | -176.2 | 173.1 | -74.9 | 0 | 106.4 | Q16 E20 | Q16-K18 VanDerWaalsContact C-N 3.32Å; Q16-K18 PolarHBondContact O-N 3.14Å; K18-E20 IonicContact NZ-OE1 2.8Å; K18-E20 PolarHBondContact NZ-OE1 3Å; K18-E20 PolarHBondContact O-N 3.17Å |
| 19 | V | 77.8 | Confident | 70.7 | Confident | 105 Ų | 105 | 144.5 Ų | 144.5 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -61.5 | 111.3 | 168.4 | 169.1 | 0 | 0 | 0 | 0 | 106.5 | E17 M21 | E17-V19 HydrophobicContact CG-CG2 4.19Å; E17-V19 PolarHBondContact O-N 3.31Å; V19-M21 PolarHBondContact O-N 3.08Å; V19-M21 VanDerWaalsContact O-N 3.12Å |
| 20 | E | 72.6 | Confident | 71.4 | Confident | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | | | trans | -72 | 103.5 | 171.6 | -55.3 | -157.5 | 105.5 | 0 | 0 | 106.7 | K18 | K18-E20 IonicContact NZ-OE1 2.8Å; K18-E20 PolarHBondContact NZ-OE1 3Å; K18-E20 PolarHBondContact O-N 3.17Å |
| 21 | M | 77.4 | Confident | 72.2 | Confident | 167 Ų | 167 | 133.1 Ų | 133.1 | 82% | 0.823 | 69% | 0.693 | S | S | * | * | | | trans | -73.2 | 128.2 | 175.1 | 59.1 | -157.9 | -64.9 | 0 | 0 | 109 | V19 | V19-M21 PolarHBondContact O-N 3.08Å; V19-M21 VanDerWaalsContact O-N 3.12Å |
| 22 | E | 79.2 | Confident | 73.1 | Confident | 176 Ų | 176 | 135.4 Ų | 135.4 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | | | trans | -78 | 135 | 180 | -155.4 | -174.7 | 135.3 | 0 | 0 | 110.2 | S24 | E22-S24 PolarHBondContact O-N 3.33Š|
| 23 | D | 79.3 | Confident | 73.3 | Confident | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 69% | 0.689 | S | S | * | * | | | trans | -70.3 | 111 | 178.3 | -71.3 | -33.2 | 0 | 0 | 0 | 109.7 | | |
| 24 | S | 77.6 | Confident | 73.4 | Confident | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | | | trans | -97.4 | 117.5 | 178.1 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | E22 | E22-S24 PolarHBondContact O-N 3.33Š|
| 25 | E | 85.8 | Confident | 73.7 | Confident | 196 Ų | 196 | 130.6 Ų | 130.6 | 92% | 0.916 | 66% | 0.663 | S | S | * | * | | | trans | -83.3 | 129.4 | 169.9 | -172.7 | 177 | 177.8 | 0 | 0 | 110 | | |
| 26 | L | 79 | Confident | 73.9 | Confident | 93 Ų | 93 | 133.4 Ų | 133.4 | 49% | 0.487 | 67% | 0.666 | S | S | . | * | | | trans | -121.8 | 134.8 | 178.9 | -64 | 176.6 | 0 | 0 | 0 | 110.5 | T28 F43 L45 | L26-T28 PolarHBondContact O-N 3.43Å; L26-F43 HydrophobicContact CD1-CE2 4.09Å; L26-F43 HydrophobicContact CD1-CZ 3.77Å; L26-L45 HydrophobicContact CD1-CD1 4.2Å; L26-L45 HydrophobicContact CD2-CD1 4.45Å |
| 27 | D | 81.3 | Confident | 73.7 | Confident | 81 Ų | 81 | 129.1 Ų | 129.1 | 43% | 0.433 | 65% | 0.652 | S | S | . | * | | | trans | -69.7 | 116.6 | 175 | -174.2 | -2 | 0 | 0 | 0 | 110.3 | Q29 Y30 | D27-Q29 PolarHBondContact O-N 3.08Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.44Å; D27-Q29 VanDerWaalsContact OD1-CG 3.25Å; D27-Q29 WeakPolarHBondContact OD1-CG 3.3Å; D27-Q29 PolarHBondContact OD1-N 3.4Å; D27-Y30 HydrophobicContact CB-CD2 4.27Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 VanDerWaalsContact OD2-CE2 3.25Å; D27-Y30 WeakPolarHBondContact OD2-CE2 3.42Å |
| 28 | T | 80.3 | Confident | 73.5 | Confident | 111 Ų | 111 | 124.5 Ų | 124.5 | 68% | 0.681 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -74.4 | -12.9 | -177.1 | 57.5 | 0 | 0 | 0 | 0 | 113.1 | L26 Y30 L31 | L26-T28 PolarHBondContact O-N 3.43Å; T28-Y30 PolarHBondContact O-N 3.09Å; T28-Y30 VanDerWaalsContact O-N 3.09Å; T28-L31 WeakPolarHBondContact O-CB 3.38Å; T28-L31 PolarHBondContact O-N 3.09Å; T28-L31 VanDerWaalsContact O-N 3.09Å |
| 29 | Q | 82.4 | Confident | 73.9 | Confident | 157 Ų | 157 | 127.6 Ų | 127.6 | 73% | 0.734 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -63 | -17.4 | 179.7 | -66.6 | 177.5 | 38.9 | 0 | 0 | 113.6 | D27 | D27-Q29 PolarHBondContact O-N 3.08Å; D27-Q29 WeakPolarHBondContact OD1-CB 3.44Å; D27-Q29 VanDerWaalsContact OD1-CG 3.25Å; D27-Q29 WeakPolarHBondContact OD1-CG 3.3Å; D27-Q29 PolarHBondContact OD1-N 3.4Å |
| 30 | Y | 73.9 | Confident | 73.8 | Confident | 106 Ų | 106 | 132.5 Ų | 132.5 | 42% | 0.416 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -108.2 | 8.3 | 179.9 | -56.1 | -78.9 | 0 | 0 | 0 | 113.3 | D27 T28 Q32 K48 | D27-Y30 HydrophobicContact CB-CD2 4.27Å; D27-Y30 HydrophobicContact CB-CE2 4.49Å; D27-Y30 VanDerWaalsContact OD2-CE2 3.25Å; D27-Y30 WeakPolarHBondContact OD2-CE2 3.42Å; T28-Y30 PolarHBondContact O-N 3.09Å; T28-Y30 VanDerWaalsContact O-N 3.09Å; Y30-Q32 PolarHBondContact O-N 2.95Å; Y30-K48 VanDerWaalsContact CE1-CE 3.46Å; Y30-K48 WeakPolarHBondContact OH-CE 3.33Å; Y30-K48 PolarHBondContact OH-NZ 2.98Å |
| 31 | L | 78.1 | Confident | 73.9 | Confident | 55 Ų | 55 | 130 Ų | 130 | 29% | 0.288 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.1 | 110.3 | 179.6 | -149 | 66.2 | 0 | 0 | 0 | 110.6 | T28 T34 F43 L45 | T28-L31 WeakPolarHBondContact O-CB 3.38Å; T28-L31 PolarHBondContact O-N 3.09Å; T28-L31 VanDerWaalsContact O-N 3.09Å; L31-T34 HydrophobicContact CD2-CG2 4.21Å; L31-F43 HydrophobicContact CD1-CB 3.38Å; L31-F43 HydrophobicContact CD1-CD1 3.85Å; L31-F43 HydrophobicContact CD1-CD2 3.08Å; L31-F43 HydrophobicContact CD1-CE1 4.36Å; L31-F43 HydrophobicContact CD1-CE2 3.68Å; L31-F43 HydrophobicContact CD1-CG 3.16Å; L31-F43 HydrophobicContact CD1-CZ 4.28Å; L31-F43 HydrophobicContact CD2-CB 3.88Å; L31-F43 HydrophobicContact CD2-CD1 3.94Å; L31-F43 HydrophobicContact CD2-CG 3.94Å; L31-F43 HydrophobicContact CG-CB 3.65Å; L31-F43 HydrophobicContact CG-CD1 4.39Å; L31-F43 HydrophobicContact CG-CD2 4.26Å; L31-F43 HydrophobicContact CG-CG 3.89Å; L31-L45 HydrophobicContact CD1-CD2 3.78Å |
| 32 | Q | 74.4 | Confident | 73.8 | Confident | 128 Ų | 128 | 125.5 Ų | 125.5 | 60% | 0.598 | 63% | 0.631 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 131.1 | 170.1 | -87.5 | -177.6 | -19.3 | 0 | 0 | 110.5 | Y30 F46 | Y30-Q32 PolarHBondContact O-N 2.95Å; Q32-F46 HydrophobicContact CB-CD2 4.32Å; Q32-F46 HydrophobicContact CB-CE2 4.05Å |
| 33 | N | 65.6 | Low | 73.8 | Confident | 146 Ų | 146 | 121.6 Ų | 121.6 | 78% | 0.781 | 61% | 0.612 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | 70.3 | 113.5 | 173.7 | -130.7 | 3.9 | 0 | 0 | 0 | 114.9 | | |
| 34 | T | 62.3 | Low | 73.7 | Confident | 83 Ų | 83 | 116.7 Ų | 116.7 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 104.8 | 171.2 | 43.8 | 0 | 0 | 0 | 0 | 109.3 | L31 | L31-T34 HydrophobicContact CD2-CG2 4.21Å |
| 35 | F | 64.6 | Low | 73.9 | Confident | 125 Ų | 125 | 116.3 Ų | 116.3 | 55% | 0.548 | 58% | 0.583 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.2 | 113.1 | -179.1 | -175.4 | -126.1 | 0 | 0 | 0 | 110.5 | V37 | F35-V37 HydrophobicContact CD1-CB 4.08Å; F35-V37 HydrophobicContact CD1-CG1 3.79Å; F35-V37 HydrophobicContact CD1-CG2 3.34Å; F35-V37 HydrophobicContact CD2-CG1 4.15Å; F35-V37 HydrophobicContact CE1-CB 3.66Å; F35-V37 HydrophobicContact CE1-CG1 3.14Å; F35-V37 HydrophobicContact CE1-CG2 3.13Å; F35-V37 HydrophobicContact CE2-CG1 3.54Å; F35-V37 HydrophobicContact CG-CG1 4.27Å; F35-V37 HydrophobicContact CG-CG2 4.37Å; F35-V37 HydrophobicContact CZ-CB 4.05Å; F35-V37 HydrophobicContact CZ-CG1 3Å; F35-V37 HydrophobicContact CZ-CG2 4.02Å; F35-V37 PolarHBondContact O-N 3.31Å |
| 36 | Q | 66.2 | Low | 73.3 | Confident | 153 Ų | 153 | 113.4 Ų | 113.4 | 72% | 0.715 | 57% | 0.567 | S | S | * | * | | | trans | -91.7 | 82.2 | 176.3 | -74.2 | -173.7 | 61.2 | 0 | 0 | 110.9 | | |
| 37 | V | 57.7 | Low | 72.9 | Confident | 100 Ų | 100 | 114.6 Ų | 114.6 | 61% | 0.606 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -117.1 | 3.8 | 164.8 | -68 | 0 | 0 | 0 | 0 | 113.3 | F35 | F35-V37 HydrophobicContact CD1-CB 4.08Å; F35-V37 HydrophobicContact CD1-CG1 3.79Å; F35-V37 HydrophobicContact CD1-CG2 3.34Å; F35-V37 HydrophobicContact CD2-CG1 4.15Å; F35-V37 HydrophobicContact CE1-CB 3.66Å; F35-V37 HydrophobicContact CE1-CG1 3.14Å; F35-V37 HydrophobicContact CE1-CG2 3.13Å; F35-V37 HydrophobicContact CE2-CG1 3.54Å; F35-V37 HydrophobicContact CG-CG1 4.27Å; F35-V37 HydrophobicContact CG-CG2 4.37Å; F35-V37 HydrophobicContact CZ-CB 4.05Å; F35-V37 HydrophobicContact CZ-CG1 3Å; F35-V37 HydrophobicContact CZ-CG2 4.02Å; F35-V37 PolarHBondContact O-N 3.31Å |
| 38 | S | 59.8 | Low | 72.8 | Confident | 60 Ų | 60 | 117.3 Ų | 117.3 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -156.6 | 169 | 178.5 | 86.3 | 0 | 0 | 0 | 0 | 110.2 | R40 | S38-R40 PolarHBondContact O-N 3.35Å; S38-R40 VanDerWaalsContact O-N 3.14Å; S38-R40 WeakPolarHBondContact OG-CA 3.25Å; S38-R40 VanDerWaalsContact OG-CB 3.3Å; S38-R40 WeakPolarHBondContact OG-CB 3.25Å; S38-R40 PolarHBondContact OG-N 3.29Å; S38-R40 PolarHBondContact OG-O 3.01Å |
| 39 | K | 76.8 | Confident | 72.1 | Confident | 219 Ų | 219 | 118 Ų | 118 | 95% | 0.952 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -63.8 | -10.8 | 169.3 | -60.9 | -175.4 | -178.5 | -179.5 | 0 | 112.8 | | |
| 40 | R | 76.8 | Confident | 71.3 | Confident | 207 Ų | 207 | 120.5 Ų | 120.5 | 78% | 0.781 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -91.4 | 120.2 | 173 | -47.7 | 178.2 | 77.5 | -152 | 4.5 | 108.1 | S38 | S38-R40 PolarHBondContact O-N 3.35Å; S38-R40 VanDerWaalsContact O-N 3.14Å; S38-R40 WeakPolarHBondContact OG-CA 3.25Å; S38-R40 VanDerWaalsContact OG-CB 3.3Å; S38-R40 WeakPolarHBondContact OG-CB 3.25Å; S38-R40 PolarHBondContact OG-N 3.29Å; S38-R40 PolarHBondContact OG-O 3.01Å |
| 41 | Q | 73.3 | Confident | 71 | Confident | 105 Ų | 105 | 119.2 Ų | 119.2 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | | | trans | -80.9 | 116.4 | 167.3 | -64.5 | -67.4 | -1.9 | 0 | 0 | 107.9 | | |
| 42 | S | 76.6 | Confident | 70.2 | Confident | 72 Ų | 72 | 122.1 Ų | 122.1 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.6 | 138.5 | 175.5 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 43 | F | 77.9 | Confident | 69.2 | Low | 95 Ų | 95 | 122.5 Ų | 122.5 | 42% | 0.417 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.9 | 160.5 | 177.3 | 59.9 | -101.7 | 0 | 0 | 0 | 111 | L26 L31 L45 | L26-F43 HydrophobicContact CD1-CE2 4.09Å; L26-F43 HydrophobicContact CD1-CZ 3.77Å; L31-F43 HydrophobicContact CD1-CB 3.38Å; L31-F43 HydrophobicContact CD1-CD1 3.85Å; L31-F43 HydrophobicContact CD1-CD2 3.08Å; L31-F43 HydrophobicContact CD1-CE1 4.36Å; L31-F43 HydrophobicContact CD1-CE2 3.68Å; L31-F43 HydrophobicContact CD1-CG 3.16Å; L31-F43 HydrophobicContact CD1-CZ 4.28Å; L31-F43 HydrophobicContact CD2-CB 3.88Å; L31-F43 HydrophobicContact CD2-CD1 3.94Å; L31-F43 HydrophobicContact CD2-CG 3.94Å; L31-F43 HydrophobicContact CG-CB 3.65Å; L31-F43 HydrophobicContact CG-CD1 4.39Å; L31-F43 HydrophobicContact CG-CD2 4.26Å; L31-F43 HydrophobicContact CG-CG 3.89Å; F43-L45 HydrophobicContact CD2-CD2 3.85Å; F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 4.23Å; F43-L45 HydrophobicContact CE2-CD2 3.66Å; F43-L45 HydrophobicContact CE2-CG 3.76Å |
| 44 | A | 78.5 | Confident | 69.3 | Low | 56 Ų | 56 | 123.5 Ų | 123.5 | 46% | 0.463 | 63% | 0.628 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 45 | L | 80.9 | Confident | 68.7 | Low | 95 Ų | 95 | 126.5 Ų | 126.5 | 50% | 0.497 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 124.9 | 174.2 | -62.3 | 178.6 | 0 | 0 | 0 | 109.3 | L26 L31 F43 | L26-L45 HydrophobicContact CD1-CD1 4.2Å; L26-L45 HydrophobicContact CD2-CD1 4.45Å; L31-L45 HydrophobicContact CD1-CD2 3.78Å; F43-L45 HydrophobicContact CD2-CD2 3.85Å; F43-L45 HydrophobicContact CD2-CG 4.04Å; F43-L45 HydrophobicContact CE2-CD1 4.23Å; F43-L45 HydrophobicContact CE2-CD2 3.66Å; F43-L45 HydrophobicContact CE2-CG 3.76Å |
| 46 | F | 73.4 | Confident | 68 | Low | 135 Ų | 135 | 126.3 Ų | 126.3 | 59% | 0.592 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -91 | 124.5 | 167.6 | -64.4 | -80.1 | 0 | 0 | 0 | 108.8 | Q32 | Q32-F46 HydrophobicContact CB-CD2 4.32Å; Q32-F46 HydrophobicContact CB-CE2 4.05Å |
| 47 | S | 71.3 | Confident | 67.5 | Low | 117 Ų | 117 | 122.8 Ų | 122.8 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 142.2 | 173.3 | -54.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 48 | K | 77.7 | Confident | 67.6 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 60% | 0.604 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.1 | 168.9 | -68.2 | 175.9 | 178.3 | 175.6 | 0 | 108.3 | Y30 R50 | Y30-K48 VanDerWaalsContact CE1-CE 3.46Å; Y30-K48 WeakPolarHBondContact OH-CE 3.33Å; Y30-K48 PolarHBondContact OH-NZ 2.98Å; K48-R50 PolarHBondContact O-N 2.87Å; K48-R50 VanDerWaalsContact O-N 3.17Å |
| 49 | P | 66.2 | Low | 67.3 | Low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 126.6 | 175.5 | 22.2 | -31.2 | 0 | 0 | 0 | 108.5 | S51 | P49-S51 PolarHBondContact O-N 3.18Š|
| 50 | R | 66 | Low | 66 | Low | 211 Ų | 211 | 123.9 Ų | 123.9 | 80% | 0.796 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118 | 176.6 | -176.1 | 173.5 | 178.9 | 103 | 0.1 | 107.1 | K48 | K48-R50 PolarHBondContact O-N 2.87Å; K48-R50 VanDerWaalsContact O-N 3.17Å |
| 51 | S | 67.4 | Low | 64.7 | Low | 79 Ų | 79 | 119.4 Ų | 119.4 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 145.8 | 171.8 | 57.7 | 0 | 0 | 0 | 0 | 108.2 | P49 Q53 | P49-S51 PolarHBondContact O-N 3.18Å; S51-Q53 PolarHBondContact O-N 2.8Å |
| 52 | P | 61.7 | Low | 63.5 | Low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 68% | 0.678 | S | S | * | * | | | trans | -69.4 | 73.7 | 174.7 | 26.1 | -32.3 | 0 | 0 | 0 | 109.8 | K54 | P52-K54 PolarHBondContact O-N 3.23Š|
| 53 | Q | 53.8 | Low | 62.2 | Low | 136 Ų | 136 | 125.9 Ų | 125.9 | 64% | 0.636 | 70% | 0.695 | S | S | * | * | | | trans | -82.3 | 99.3 | 169.8 | -171.1 | 169.9 | 13.3 | 0 | 0 | 106.8 | S51 D55 | S51-Q53 PolarHBondContact O-N 2.8Å; Q53-D55 PolarHBondContact O-N 3.25Å |
| 54 | K | 65.6 | Low | 60.8 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 73% | 0.726 | 71% | 0.714 | S | S | * | * | | | trans | -53.5 | 121.3 | 157.6 | 30.1 | -94.7 | 175.8 | -176.2 | 0 | 107.2 | P52 | P52-K54 PolarHBondContact O-N 3.23Š|
| 55 | D | 49.8 | Very low | 59.4 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | | | trans | 164.9 | 73.4 | 145.6 | -75.6 | -22.5 | 0 | 0 | 0 | 108.3 | Q53 | Q53-D55 PolarHBondContact O-N 3.25Š|
| 56 | C | 50.3 | Low | 58.2 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | -95.7 | 76.9 | 159.4 | -74.9 | 0 | 0 | 0 | 0 | 107.8 | H58 | C56-H58 PolarHBondContact O-N 2.81Š|
| 57 | A | 55.3 | Low | 56.9 | Low | 79 Ų | 79 | 134.9 Ų | 134.9 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | | | trans | -78.6 | 108.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 58 | H | 61.3 | Low | 55.8 | Low | 173 Ų | 173 | 138.3 Ų | 138.3 | 80% | 0.801 | 76% | 0.755 | S | S | * | * | | | trans | 79.7 | 65.6 | 167 | -37.5 | -62.3 | 0 | 0 | 0 | 117.8 | C56 V60 | C56-H58 PolarHBondContact O-N 2.81Å; H58-V60 PolarHBondContact O-N 3.05Å |
| 59 | S | 52 | Low | 54.1 | Low | 106 Ų | 106 | 138.4 Ų | 138.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -85.2 | 98.3 | 142.8 | -73.9 | 0 | 0 | 0 | 0 | 108.6 | P61 | S59-P61 WeakPolarHBondContact O-CD 3.34Š|
| 60 | V | 50.1 | Low | 53.2 | Low | 124 Ų | 124 | 138.2 Ų | 138.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | | | trans | -63.8 | 123.8 | 161.4 | 178.9 | 0 | 0 | 0 | 0 | 106.9 | H58 S62 | H58-V60 PolarHBondContact O-N 3.05Å; V60-S62 PolarHBondContact O-N 3.17Å |
| 61 | P | 50.1 | Low | 52.2 | Low | 112 Ų | 112 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | trans | -66.2 | 109.5 | 173.7 | -14.2 | 28 | 0 | 0 | 0 | 108.4 | S59 K63 | S59-P61 WeakPolarHBondContact O-CD 3.34Å; P61-K63 PolarHBondContact O-N 2.77Å |
| 62 | S | 47.7 | Very low | 51.2 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -65.3 | 121.6 | 166.8 | -171.9 | 0 | 0 | 0 | 0 | 107.5 | V60 E64 | V60-S62 PolarHBondContact O-N 3.17Å; S62-E64 PolarHBondContact O-N 3.12Å |
| 63 | K | 48.3 | Very low | 50.3 | Low | 197 Ų | 197 | 137.5 Ų | 137.5 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -71.9 | 94.7 | -178.3 | -62.1 | 171.7 | -177.5 | 175.9 | 0 | 108.1 | P61 L65 | P61-K63 PolarHBondContact O-N 2.77Å; K63-L65 PolarHBondContact O-N 2.82Å |
| 64 | E | 49.9 | Very low | 49.9 | Very low | 173 Ų | 173 | 140.9 Ų | 140.9 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | | | trans | -71.2 | 110.2 | 163.7 | -167.6 | 161.8 | -178.9 | 0 | 0 | 108 | S62 S66 | S62-E64 PolarHBondContact O-N 3.12Å; E64-S66 VanDerWaalsContact C-N 3.34Å; E64-S66 PolarHBondContact O-N 3Å |
| 65 | L | 47.8 | Very low | 49.1 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -70.9 | 90.3 | 173.3 | -95.5 | 157.6 | 0 | 0 | 0 | 108.4 | K63 | K63-L65 PolarHBondContact O-N 2.82Š|
| 66 | S | 57.2 | Low | 49.2 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | | | trans | -70.5 | 136.5 | 172.5 | -37.1 | 0 | 0 | 0 | 0 | 110.7 | E64 K68 | E64-S66 VanDerWaalsContact C-N 3.34Å; E64-S66 PolarHBondContact O-N 3Å; S66-K68 PolarHBondContact O-N 2.7Å |
| 67 | P | 45.8 | Very low | 48.6 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | | | trans | -63.1 | 130.2 | 171.2 | -19.4 | 31.6 | 0 | 0 | 0 | 111.1 | V69 | P67-V69 PolarHBondContact O-N 2.91Š|
| 68 | K | 47.2 | Very low | 48.5 | Very low | 190 Ų | 190 | 154.5 Ų | 154.5 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -60.9 | 112.4 | -177.7 | -179 | 171.1 | 179.1 | 176.1 | 0 | 112.4 | S66 | S66-K68 PolarHBondContact O-N 2.7Š|
| 69 | V | 43.3 | Very low | 47.5 | Very low | 141 Ų | 141 | 155.5 Ų | 155.5 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | | | trans | -132.3 | 118.4 | 148.6 | 168.9 | 0 | 0 | 0 | 0 | 108.4 | P67 | P67-V69 PolarHBondContact O-N 2.91Š|
| 70 | T | 45.7 | Very low | 46.8 | Very low | 119 Ų | 119 | 153.9 Ų | 153.9 | 73% | 0.73 | 83% | 0.826 | S | S | * | * | | | trans | -75.3 | 122.2 | -179.5 | 42.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 71 | A | 46.4 | Very low | 46.6 | Very low | 101 Ų | 101 | 156 Ų | 156 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | -130.7 | 107.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 72 | K | 45.6 | Very low | 46.4 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | | | trans | -84.5 | 118.6 | 172.1 | -81.8 | -87.6 | -175.9 | 176.1 | 0 | 108 | | |
| 73 | G | 43.8 | Very low | 46 | Very low | 76 Ų | 76 | 159.6 Ų | 159.6 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | | | trans | -156.3 | 114.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 74 | K | 45.5 | Very low | 46 | Very low | 206 Ų | 206 | 159.3 Ų | 159.3 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | trans | -85.4 | 131.1 | 177.2 | -69 | -153.3 | 176.1 | -164.5 | 0 | 109.3 | | |
| 75 | Q | 47 | Very low | 45.7 | Very low | 195 Ų | 195 | 159.7 Ų | 159.7 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | | | trans | -163.4 | 149.1 | 135.3 | -155.4 | 155.2 | -62.5 | 0 | 0 | 111.9 | | |
| 76 | K | 52.3 | Low | 45.9 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -72.5 | 128.6 | -176.9 | 177 | 173.4 | 177.6 | 179.5 | 0 | 111 | | |
| 77 | E | 38.4 | Very low | 45.5 | Very low | 183 Ų | 183 | 159 Ų | 159 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | | | trans | -124.7 | 107.1 | 168 | -168.1 | 172.2 | 176.6 | 0 | 0 | 109.2 | | |
| 78 | R | 52.4 | Low | 45.8 | Very low | 229 Ų | 229 | 160.1 Ų | 160.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -127.6 | 136.2 | 154.1 | -78.9 | -143.4 | -176.9 | -125.5 | 3.4 | 106.9 | | |
| 79 | Q | 40.7 | Very low | 45.8 | Very low | 195 Ų | 195 | 157 Ų | 157 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | | | trans | 96.4 | 122.6 | 170.1 | -62.9 | -175.1 | -1.3 | 0 | 0 | 115.6 | | |
| 80 | G | 37.4 | Very low | 45.9 | Very low | 72 Ų | 72 | 156.8 Ų | 156.8 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | | | trans | 166.6 | 81.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | E82 | G80-E82 PolarHBondContact O-N 3.06Š|
| 81 | Q | 45.2 | Very low | 46.4 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -61 | 121.7 | 154.2 | -73 | -172.7 | -99 | 0 | 0 | 105.9 | E83 | Q81-E83 HydrophobicContact CB-CG 4.21Å; Q81-E83 PolarHBondContact NE2-OE1 3.37Å |
| 82 | E | 46.2 | Very low | 46.4 | Very low | 169 Ų | 169 | 156.6 Ų | 156.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -103.4 | 90.2 | 164 | -161.9 | 173.6 | -175.7 | 0 | 0 | 107.1 | G80 | G80-E82 PolarHBondContact O-N 3.06Š|
| 83 | E | 40.6 | Very low | 46.7 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 64% | 0.64 | 79% | 0.788 | S | S | * | * | | | trans | -75.5 | 121.9 | 168.1 | -55.8 | -176.8 | 166.2 | 0 | 0 | 106.1 | Q81 E85 | Q81-E83 HydrophobicContact CB-CG 4.21Å; Q81-E83 PolarHBondContact NE2-OE1 3.37Å; E83-E85 PolarHBondContact O-N 3.07Å |
| 84 | F | 46.7 | Very low | 46.5 | Very low | 191 Ų | 191 | 152.1 Ų | 152.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -71.5 | 88.1 | 172.5 | -86.3 | -88.1 | 0 | 0 | 0 | 108.8 | I86 | F84-I86 PolarHBondContact O-N 3.1Š|
| 85 | E | 44.1 | Very low | 46.6 | Very low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | -79.3 | 106.3 | 170.3 | -167.5 | 175.5 | 171 | 0 | 0 | 108.4 | E83 S87 | E83-E85 PolarHBondContact O-N 3.07Å; E85-S87 PolarHBondContact O-N 3.16Å; E85-S87 VanDerWaalsContact O-N 3.08Å |
| 86 | I | 52.8 | Low | 46.8 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | | | trans | -68.5 | 106.6 | 174.7 | -60.1 | 167.5 | 0 | 0 | 0 | 107 | F84 H88 | F84-I86 PolarHBondContact O-N 3.1Å; I86-H88 PolarHBondContact O-N 3.36Å; I86-H88 VanDerWaalsContact O-N 3.17Å |
| 87 | S | 47.6 | Very low | 46.1 | Very low | 92 Ų | 92 | 140.8 Ų | 140.8 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | -62.1 | 117.8 | 176.1 | 62.5 | 0 | 0 | 0 | 0 | 110.3 | E85 V89 | E85-S87 PolarHBondContact O-N 3.16Å; E85-S87 VanDerWaalsContact O-N 3.08Å; S87-V89 PolarHBondContact O-N 3.36Å; S87-V89 VanDerWaalsContact O-N 3.08Å |
| 88 | H | 53.6 | Low | 46.2 | Very low | 151 Ų | 151 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | | | trans | -64.5 | 101.2 | 163.7 | 160.9 | -93.5 | 0 | 0 | 0 | 108.7 | I86 Q90 | I86-H88 PolarHBondContact O-N 3.36Å; I86-H88 VanDerWaalsContact O-N 3.17Å; H88-Q90 PolarHBondContact O-N 3.39Å |
| 89 | V | 46.8 | Very low | 46.2 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -85.7 | 96.9 | 172 | -178.9 | 0 | 0 | 0 | 0 | 108.3 | S87 A91 | S87-V89 PolarHBondContact O-N 3.36Å; S87-V89 VanDerWaalsContact O-N 3.08Å; V89-A91 PolarHBondContact O-N 3.23Å |
| 90 | Q | 46 | Very low | 46.3 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 64% | 0.64 | 78% | 0.78 | S | S | * | * | | | trans | -78.2 | 112.3 | 165.3 | -154.2 | 174.5 | -14.9 | 0 | 0 | 108.4 | H88 V92 | H88-Q90 PolarHBondContact O-N 3.39Å; Q90-V92 HydrophobicContact CG-CG2 4.12Å; Q90-V92 PolarHBondContact O-N 3.1Å |
| 91 | A | 55.3 | Low | 46.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -71.3 | 115.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109 | V89 | V89-A91 PolarHBondContact O-N 3.23Š|
| 92 | V | 46 | Very low | 46.5 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | | | trans | -132.4 | 126 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | Q90 | Q90-V92 HydrophobicContact CG-CG2 4.12Å; Q90-V92 PolarHBondContact O-N 3.1Å |
| 93 | A | 51.9 | Low | 46.2 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -63.2 | 142.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T95 | A93-T95 PolarHBondContact O-N 3.43Š|
| 94 | A | 40.4 | Very low | 46.7 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | | | trans | -66.5 | 117.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 95 | T | 47.8 | Very low | 46.5 | Very low | 129 Ų | 129 | 135 Ų | 135 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | trans | -142.9 | 107.3 | 154.5 | -75.4 | 0 | 0 | 0 | 0 | 108.1 | A93 | A93-T95 PolarHBondContact O-N 3.43Š|
| 96 | V | 49.7 | Very low | 46.6 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | | | trans | 16.7 | 118.7 | 154.1 | -160.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 97 | G | 38.6 | Very low | 46.3 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | | | trans | 134 | 145.1 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 98 | L | 40 | Very low | 46.1 | Very low | 179 Ų | 179 | 134.2 Ų | 134.2 | 94% | 0.937 | 82% | 0.817 | S | S | * | * | | | trans | -71.7 | 169.6 | -168.3 | -66.9 | 164.6 | 0 | 0 | 0 | 116.3 | | |
| 99 | P | 53.3 | Low | 46 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | | | trans | -117.8 | 159.8 | -148 | 41.5 | -31.3 | 0 | 0 | 0 | 118 | | |
| 100 | V | 41.4 | Very low | 45.8 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | | | trans | -154.3 | 145.8 | 156.1 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 101 | P | 45.4 | Very low | 46.1 | Very low | 123 Ų | 123 | 136.2 Ų | 136.2 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | | | trans | -99.3 | 163.5 | -161 | 5.5 | 16.6 | 0 | 0 | 0 | 118.2 | | |
| 102 | C | 43.3 | Very low | 46.2 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 89% | 0.885 | 84% | 0.835 | S | S | * | * | | | trans | -96.6 | 158.9 | 176 | -59.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 103 | Q | 39.8 | Very low | 46.6 | Very low | 204 Ų | 204 | 143.6 Ų | 143.6 | 95% | 0.953 | 84% | 0.844 | S | S | * | * | | | trans | -115.8 | 147.1 | 170 | -82.7 | -175.9 | 18.2 | 0 | 0 | 112.4 | | |
| 104 | E | 49.6 | Very low | 46.8 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | | | trans | -124.2 | 149.4 | -177.7 | -178.4 | 170.8 | -176 | 0 | 0 | 111.5 | | |
| 105 | V | 42.9 | Very low | 47.3 | Very low | 146 Ų | 146 | 147.1 Ų | 147.1 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | | | trans | -142.3 | 139.7 | 171.4 | -90.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 106 | S | 45.6 | Very low | 47.6 | Very low | 111 Ų | 111 | 148.2 Ų | 148.2 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | | | trans | -94 | 164.2 | -161.9 | -16.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 107 | P | 46.5 | Very low | 47.4 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | | | trans | -105.1 | 154.8 | -175.7 | 37.4 | -29.5 | 0 | 0 | 0 | 116.7 | | |
| 108 | I | 43.6 | Very low | 48.2 | Very low | 173 Ų | 173 | 157.8 Ų | 157.8 | 89% | 0.887 | 84% | 0.843 | S | S | * | * | | | trans | -90.8 | 146.7 | -168.7 | -65.2 | 170.1 | 0 | 0 | 0 | 113.3 | | |
| 109 | R | 51.4 | Low | 48.7 | Very low | 229 Ų | 229 | 154.5 Ų | 154.5 | 86% | 0.864 | 83% | 0.833 | S | S | * | * | | | trans | -70.9 | 147.6 | -176.3 | -153.8 | -169.6 | -85.7 | -155.4 | -4.9 | 114 | | |
| 110 | S | 43.9 | Very low | 48.5 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | | | trans | -146.1 | 144.1 | 160.6 | 106 | 0 | 0 | 0 | 0 | 112.9 | | |
| 111 | S | 52.2 | Low | 49 | Very low | 110 Ų | 110 | 156.8 Ų | 156.8 | 77% | 0.769 | 84% | 0.839 | S | S | * | * | | | trans | -124.9 | 137.3 | -178.4 | -55.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 112 | I | 56 | Low | 49.2 | Very low | 163 Ų | 163 | 160.3 Ų | 160.3 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | | | trans | -135.4 | 140.3 | 171.5 | 46.6 | 171.4 | 0 | 0 | 0 | 110.9 | | |
| 113 | K | 54.4 | Low | 49.2 | Very low | 208 Ų | 208 | 156.9 Ų | 156.9 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | | | trans | -131.8 | 125.9 | 178.8 | 174.9 | -174.9 | 158.9 | -164.1 | 0 | 107 | | |
| 114 | T | 57.2 | Low | 49.6 | Very low | 129 Ų | 129 | 158 Ų | 158 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | | | trans | -143.1 | 135 | 180 | -38.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 115 | D | 51.6 | Low | 49.5 | Very low | 142 Ų | 142 | 159 Ų | 159 | 76% | 0.759 | 83% | 0.828 | S | S | * | * | | | trans | -98.5 | 140.1 | 178 | 170 | -9.1 | 0 | 0 | 0 | 109.3 | | |
| 116 | N | 52.4 | Low | 49.8 | Very low | 152 Ų | 152 | 159.1 Ų | 159.1 | 81% | 0.813 | 82% | 0.819 | S | S | * | * | | | trans | -165.6 | 155.3 | 148.6 | 46.8 | 26 | 0 | 0 | 0 | 116 | | |
| 117 | R | 46.2 | Very low | 49.9 | Very low | 235 Ų | 235 | 164.9 Ų | 164.9 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | | | trans | -90.7 | 152.1 | -160.5 | 173.5 | -175.8 | 175.4 | -113.7 | 3.4 | 114.4 | | |
| 118 | K | 55.6 | Low | 50.1 | Low | 190 Ų | 190 | 167 Ų | 167 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | | | trans | -90.3 | 157.1 | 174.6 | 9 | 169.3 | 177.5 | -176 | 0 | 112.6 | | |
| 119 | P | 51.2 | Low | 50.4 | Low | 111 Ų | 111 | 165 Ų | 165 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | | | | -156 | 162.3 | 89.8 | 38.2 | -16.6 | 0 | 0 | 0 | 119.9 | | |
| 120 | L | 49.1 | Very low | 50.2 | Low | 156 Ų | 156 | 159.7 Ų | 159.7 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | | | trans | 34 | 131.3 | 152.2 | -83.5 | 93.3 | 0 | 0 | 0 | 123.5 | | |
| 121 | T | 51.8 | Low | 50.7 | Low | 149 Ų | 149 | 160 Ų | 160 | 91% | 0.914 | 82% | 0.819 | S | S | * | * | | | trans | -152.8 | 127.1 | 137.9 | 26.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 122 | E | 48.8 | Very low | 50.9 | Low | 196 Ų | 196 | 161.1 Ų | 161.1 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -73.3 | 146.1 | 174.8 | -71 | 178.9 | 124.4 | 0 | 0 | 112.2 | | |
| 123 | G | 42.6 | Very low | 50.8 | Low | 59 Ų | 59 | 161.7 Ų | 161.7 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | | | trans | -148.7 | 98.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F125 | G123-F125 WeakPolarHBondContact O-CD2 3.45Š|
| 124 | R | 49.9 | Very low | 50.9 | Low | 228 Ų | 228 | 160.3 Ų | 160.3 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -65.2 | 122 | 176 | -178.6 | -176.5 | 177.6 | -165.8 | -3.7 | 109.8 | | |
| 125 | F | 46.2 | Very low | 50.7 | Low | 203 Ų | 203 | 158.7 Ų | 158.7 | 89% | 0.89 | 82% | 0.819 | S | S | * | * | | | trans | -110.7 | 118.1 | 170.6 | -76.2 | -82.2 | 0 | 0 | 0 | 111.1 | G123 | G123-F125 WeakPolarHBondContact O-CD2 3.45Š|
| 126 | E | 49.3 | Very low | 51.1 | Low | 150 Ų | 150 | 159.2 Ų | 159.2 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | | | trans | -90.6 | 142.5 | 177.4 | -172.9 | 158 | -166.7 | 0 | 0 | 109.9 | | |
| 127 | R | 47.4 | Very low | 51 | Low | 231 Ų | 231 | 155.3 Ų | 155.3 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | | | trans | -77 | 137 | -170.9 | -83.2 | 178.1 | -83.8 | 130.1 | -4 | 112.1 | | |
| 128 | H | 50.9 | Low | 51.3 | Low | 178 Ų | 178 | 150.8 Ų | 150.8 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | | | trans | -132.6 | 127.5 | 153.6 | -70.1 | -71.7 | 0 | 0 | 0 | 112.2 | | |
| 129 | T | 51.4 | Low | 51.5 | Low | 131 Ų | 131 | 150.8 Ų | 150.8 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -68.9 | 142 | 173.7 | 45.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 130 | S | 47.1 | Very low | 51.8 | Low | 118 Ų | 118 | 151.3 Ų | 151.3 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -150.6 | 106.7 | 152.7 | -60.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 131 | S | 53 | Low | 52.2 | Low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 127.2 | 170.9 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 132 | T | 57.3 | Low | 52.6 | Low | 132 Ų | 132 | 151 Ų | 151 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 120.6 | 173.9 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 133 | E | 53.2 | Low | 52.7 | Low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 133.9 | 178.7 | -178.5 | 175.1 | 92.9 | 0 | 0 | 112.3 | A135 | E133-A135 PolarHBondContact O-N 2.68Š|
| 134 | M | 57.7 | Low | 52.9 | Low | 178 Ų | 178 | 152.5 Ų | 152.5 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -84.2 | 104.7 | 174.9 | 28.4 | -96.2 | -83.6 | 0 | 0 | 111.2 | | |
| 135 | A | 53.1 | Low | 53.4 | Low | 96 Ų | 96 | 146.4 Ų | 146.4 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | | | trans | -87.1 | 125.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E133 | E133-A135 PolarHBondContact O-N 2.68Š|
| 136 | V | 59.8 | Low | 54 | Low | 152 Ų | 152 | 142.6 Ų | 142.6 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -79.2 | 132.6 | 176.5 | 165.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 137 | G | 48.8 | Very low | 54.1 | Low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | 119.4 | 100.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 138 | N | 52.5 | Low | 54.3 | Low | 141 Ų | 141 | 138.3 Ų | 138.3 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -153.5 | 98.9 | 147.5 | 59.6 | -13.9 | 0 | 0 | 0 | 111.1 | | |
| 139 | E | 59.9 | Low | 54.5 | Low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | | | trans | -81.3 | 111.2 | 165.2 | 58 | -162.3 | 158.2 | 0 | 0 | 109.2 | | |
| 140 | N | 58.9 | Low | 54.6 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | | | trans | -120.8 | 93 | 166.4 | 56.2 | 10 | 0 | 0 | 0 | 109.9 | L142 | N140-L142 PolarHBondContact O-N 2.97Š|
| 141 | I | 56.5 | Low | 55.3 | Low | 150 Ų | 150 | 135 Ų | 135 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -69.7 | 80.3 | 170.7 | -55.1 | 170.9 | 0 | 0 | 0 | 107.8 | | |
| 142 | L | 60.5 | Low | 55.9 | Low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | | | trans | -89.1 | 104.8 | 163.9 | -71.8 | 176.8 | 0 | 0 | 0 | 107.8 | N140 S144 | N140-L142 PolarHBondContact O-N 2.97Å; L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 2.86Å |
| 143 | Q | 50.9 | Low | 56.2 | Low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | | | trans | -55.4 | 95.3 | 168.6 | -65.2 | -179 | 32.5 | 0 | 0 | 108.9 | T145 | Q143-T145 PolarHBondContact O-N 2.95Å; Q143-T145 VanDerWaalsContact O-N 3.1Å |
| 144 | S | 46.6 | Very low | 56.3 | Low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -80.6 | 91.1 | 172 | -170.9 | 0 | 0 | 0 | 0 | 108.3 | L142 V146 | L142-S144 VanDerWaalsContact C-N 3.34Å; L142-S144 PolarHBondContact O-N 2.86Å; S144-V146 PolarHBondContact O-N 2.92Å |
| 145 | T | 60.3 | Low | 55.7 | Low | 100 Ų | 100 | 134.2 Ų | 134.2 | 61% | 0.613 | 76% | 0.76 | S | S | * | * | | | trans | -56.9 | 126.6 | 169.1 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | Q143 H147 | Q143-T145 PolarHBondContact O-N 2.95Å; Q143-T145 VanDerWaalsContact O-N 3.1Å; T145-H147 PolarHBondContact O-N 3.36Å |
| 146 | V | 58.7 | Low | 56.1 | Low | 123 Ų | 123 | 136.4 Ų | 136.4 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | trans | -57.3 | 99.6 | -179.2 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | S144 T148 | S144-V146 PolarHBondContact O-N 2.92Å; V146-T148 HydrophobicContact CG1-CG2 4.1Å |
| 147 | H | 52.4 | Low | 55.9 | Low | 179 Ų | 179 | 133.9 Ų | 133.9 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | | | trans | -94.1 | 116.7 | 160.7 | -86.2 | -73.1 | 0 | 0 | 0 | 109.2 | T145 | T145-H147 PolarHBondContact O-N 3.36Š|
| 148 | T | 51.9 | Low | 56.7 | Low | 111 Ų | 111 | 135.8 Ų | 135.8 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | trans | -82.9 | 144.9 | -176 | 40.4 | 0 | 0 | 0 | 0 | 112.2 | V146 | V146-T148 HydrophobicContact CG1-CG2 4.1Š|
| 149 | V | 54.2 | Low | 57 | Low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | | | trans | 58.6 | 103.7 | 157.3 | -128.3 | 0 | 0 | 0 | 0 | 119.6 | L151 | V149-L151 HydrophobicContact CB-CG 4.49Å; V149-L151 HydrophobicContact CG1-CD2 3.9Å; V149-L151 HydrophobicContact CG1-CG 4.04Å |
| 150 | S | 54.5 | Low | 56.5 | Low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | | | trans | -83 | 107.5 | 151.5 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | N152 | S150-N152 PolarHBondContact O-N 3.39Å; S150-N152 PolarHBondContact OG-ND2 3.37Å |
| 151 | L | 60.4 | Low | 56.3 | Low | 141 Ų | 141 | 137.2 Ų | 137.2 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -91 | 84 | 174 | -72.6 | 173.9 | 0 | 0 | 0 | 109.9 | V149 | V149-L151 HydrophobicContact CB-CG 4.49Å; V149-L151 HydrophobicContact CG1-CD2 3.9Å; V149-L151 HydrophobicContact CG1-CG 4.04Å |
| 152 | N | 66.6 | Low | 56.2 | Low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | -120.2 | 70.2 | 175.9 | -67.3 | -16.1 | 0 | 0 | 0 | 111.3 | S150 | S150-N152 PolarHBondContact O-N 3.39Å; S150-N152 PolarHBondContact OG-ND2 3.37Å |
| 153 | N | 62.2 | Low | 56.3 | Low | 138 Ų | 138 | 132.5 Ų | 132.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -153.5 | 76.5 | 156.9 | 53.6 | -32.2 | 0 | 0 | 0 | 108 | G155 | N153-G155 PolarHBondContact O-N 3.31Š|
| 154 | R | 56.4 | Low | 56.4 | Low | 252 Ų | 252 | 127.4 Ų | 127.4 | 95% | 0.951 | 77% | 0.768 | S | S | * | * | | | trans | -61 | 103 | 167.7 | 178.5 | 174.1 | -73.3 | -100.1 | -1 | 107.5 | | |
| 155 | G | 45.7 | Very low | 57.3 | Low | 60 Ų | 60 | 127.6 Ų | 127.6 | 62% | 0.619 | 77% | 0.769 | S | S | * | * | | | trans | -58.2 | 148.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N153 | N153-G155 PolarHBondContact O-N 3.31Š|
| 156 | N | 61.5 | Low | 57.7 | Low | 143 Ų | 143 | 130.7 Ų | 130.7 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | | | trans | -60.7 | 134.6 | 158.6 | 51.2 | 71.5 | 0 | 0 | 0 | 108.6 | C158 | N156-C158 PolarHBondContact O-N 3.33Š|
| 157 | A | 55.6 | Low | 58.2 | Low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 104.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 158 | C | 64.8 | Low | 58.7 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -74 | 121.3 | 160.5 | -67.6 | 0 | 0 | 0 | 0 | 107.8 | N156 E160 | N156-C158 PolarHBondContact O-N 3.33Å; C158-E160 PolarHBondContact O-N 3.21Å |
| 159 | Q | 59.4 | Low | 59.3 | Low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | | | trans | -63.5 | 116.1 | 174.1 | -73.9 | 173 | 4.8 | 0 | 0 | 109.5 | A161 | Q159-A161 PolarHBondContact O-N 3.38Š|
| 160 | E | 49.1 | Very low | 59.3 | Low | 187 Ų | 187 | 132.3 Ų | 132.3 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -76.7 | 108.4 | 167.8 | -163.3 | 179.6 | 162.7 | 0 | 0 | 107.6 | C158 G162 | C158-E160 PolarHBondContact O-N 3.21Å; E160-G162 PolarHBondContact O-N 3.31Å; E160-G162 VanDerWaalsContact O-N 3.1Å |
| 161 | A | 53.2 | Low | 59.6 | Low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -69.5 | 103.5 | 170 | 0 | 0 | 0 | 0 | 0 | 108 | Q159 S163 | Q159-A161 PolarHBondContact O-N 3.38Å; A161-S163 PolarHBondContact O-N 3.5Å; A161-S163 VanDerWaalsContact O-N 3.16Å |
| 162 | G | 55.5 | Low | 59.7 | Low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -59 | 116.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E160 G164 | E160-G162 PolarHBondContact O-N 3.31Å; E160-G162 VanDerWaalsContact O-N 3.1Å; G162-G164 PolarHBondContact O-N 3.38Å |
| 163 | S | 61.9 | Low | 59.1 | Low | 126 Ų | 126 | 128.7 Ų | 128.7 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | | | trans | -73.9 | 91.5 | 166.7 | -167.4 | 0 | 0 | 0 | 0 | 108 | A161 S165 | A161-S163 PolarHBondContact O-N 3.5Å; A161-S163 VanDerWaalsContact O-N 3.16Å; S163-S165 PolarHBondContact O-N 2.99Å |
| 164 | G | 53.3 | Low | 58.8 | Low | 67 Ų | 67 | 128.8 Ų | 128.8 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | | | trans | -75.9 | 109.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | G162 I166 | G162-G164 PolarHBondContact O-N 3.38Å; G164-I166 PolarHBondContact O-N 3.27Å |
| 165 | S | 65.2 | Low | 58.9 | Low | 119 Ų | 119 | 121 Ų | 121 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -68.6 | 114.7 | 164.5 | 171.7 | 0 | 0 | 0 | 0 | 108.9 | S163 | S163-S165 PolarHBondContact O-N 2.99Š|
| 166 | I | 70.2 | Confident | 58.8 | Low | 165 Ų | 165 | 127.2 Ų | 127.2 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 117.6 | 169.4 | 31.1 | 173.6 | 0 | 0 | 0 | 108.4 | G164 | G164-I166 PolarHBondContact O-N 3.27Š|
| 167 | H | 68.1 | Low | 59 | Low | 151 Ų | 151 | 129.8 Ų | 129.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68 | 147.1 | 175.8 | 69.8 | 77.1 | 0 | 0 | 0 | 110.7 | | |
| 168 | E | 63 | Low | 59.2 | Low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 144.8 | 173 | -66.3 | -172.7 | 143.8 | 0 | 0 | 111.1 | | |
| 169 | V | 64.8 | Low | 58.9 | Low | 109 Ų | 109 | 132.5 Ų | 132.5 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | | | trans | -117 | 115.9 | 168.5 | 161 | 0 | 0 | 0 | 0 | 107.1 | S171 | V169-S171 PolarHBondContact O-N 3.01Š|
| 170 | C | 54.6 | Low | 58.8 | Low | 119 Ų | 119 | 128.9 Ų | 128.9 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -72.5 | 114.8 | 166.9 | -64.5 | 0 | 0 | 0 | 0 | 108.9 | T172 | C170-T172 PolarHBondContact O-N 3.29Š|
| 171 | S | 60.6 | Low | 59.4 | Low | 114 Ų | 114 | 125.5 Ų | 125.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -84.7 | 98.4 | 165.6 | -73.8 | 0 | 0 | 0 | 0 | 109.3 | V169 G173 | V169-S171 PolarHBondContact O-N 3.01Å; S171-G173 PolarHBondContact O-N 3.03Å |
| 172 | T | 61.5 | Low | 59.8 | Low | 115 Ų | 115 | 127.1 Ų | 127.1 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -70.1 | 102.5 | 160.9 | -55.5 | 0 | 0 | 0 | 0 | 107.9 | C170 | C170-T172 PolarHBondContact O-N 3.29Š|
| 173 | G | 55.3 | Low | 60.1 | Low | 77 Ų | 77 | 130.8 Ų | 130.8 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -100.3 | 85.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S171 | S171-G173 PolarHBondContact O-N 3.03Š|
| 174 | D | 55.9 | Low | 59.9 | Low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | | | trans | -74.1 | 141.8 | 165.8 | -73.3 | -47.9 | 0 | 0 | 0 | 110.3 | | |
| 175 | S | 57.3 | Low | 60.4 | Low | 88 Ų | 88 | 136.1 Ų | 136.1 | 62% | 0.615 | 81% | 0.806 | S | S | * | * | | | trans | 91.8 | 98.7 | 136.8 | 145.1 | 0 | 0 | 0 | 0 | 122 | | |
| 176 | F | 43.7 | Very low | 60.1 | Low | 191 Ų | 191 | 137.5 Ų | 137.5 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | | 78.7 | 155.2 | 123 | -57.4 | -56.5 | 0 | 0 | 0 | 121.7 | | |
| 177 | P | 65.8 | Low | 59.1 | Low | 196 Ų | 196 | 135 Ų | 135 | 100% | 1.273 | 80% | 0.8 | S | S | * | * | | | cis | -110.6 | 0 | 6.8 | 40.4 | -30.6 | 0 | 0 | 0 | 116.6 | | |