| 1 | M | 50 | Low | 66.6 | Low | 240 Ų | 240 | 140.4 Ų | 140.4 | 100% | 1.182 | 76% | 0.759 | S | S | * | * | | | | 0 | 99.6 | 0 | -129 | 87.6 | 79.7 | 0 | 0 | 108.1 | | |
| 2 | A | 53.3 | Low | 68.2 | Low | 91 Ų | 91 | 133.2 Ų | 133.2 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 132.9 | 173 | 0 | 0 | 0 | 0 | 0 | 108.2 | V4 | A2-V4 PolarHBondContact O-N 3.39Å; A2-V4 VanDerWaalsContact O-N 3.14Å |
| 3 | P | 60.6 | Low | 69 | Low | 123 Ų | 123 | 129.2 Ų | 129.2 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 122 | -174.4 | 24.8 | -31.9 | 0 | 0 | 0 | 109.2 | G5 | P3-G5 PolarHBondContact O-N 3.31Š|
| 4 | V | 57.8 | Low | 69.4 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 90% | 0.903 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 124.8 | 176.7 | -174.1 | 0 | 0 | 0 | 0 | 108.1 | A2 | A2-V4 PolarHBondContact O-N 3.39Å; A2-V4 VanDerWaalsContact O-N 3.14Å |
| 5 | G | 65.1 | Low | 69.6 | Low | 51 Ų | 51 | 127.7 Ų | 127.7 | 53% | 0.526 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -48.2 | 150.2 | -156.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | P3 W7 | P3-G5 PolarHBondContact O-N 3.31Å; G5-W7 PolarHBondContact O-N 3.14Å |
| 6 | R | 72.1 | Confident | 69.3 | Low | 185 Ų | 185 | 128.7 Ų | 128.7 | 70% | 0.698 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -61.2 | -1.9 | 172.1 | -66.5 | 176.9 | 177.5 | -85.9 | -0.4 | 114 | L13 | R6-L13 PolarHBondContact O-N 3.21Å; R6-L13 VanDerWaalsContact O-N 3.08Å |
| 7 | W | 74.4 | Confident | 69.2 | Low | 198 Ų | 198 | 124.6 Ų | 124.6 | 75% | 0.75 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.4 | -178.2 | -69.6 | 1.1 | 0 | 0 | 0 | 109 | G5 D12 | G5-W7 PolarHBondContact O-N 3.14Å; W7-D12 PolarHBondContact NE1-OD2 3.17Å |
| 8 | Q | 76.7 | Confident | 68.9 | Low | 107 Ų | 107 | 125.8 Ų | 125.8 | 50% | 0.5 | 65% | 0.653 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 126.8 | 176.7 | -168.3 | -176.9 | 13.3 | 0 | 0 | 108 | G10 K11 L13 | Q8-G10 VanDerWaalsContact C-N 3.31Å; Q8-G10 PolarHBondContact O-N 3Å; Q8-K11 PolarHBondContact N-O 2.94Å; Q8-K11 PolarHBondContact O-N 3.28Å; Q8-L13 HydrophobicContact CB-CD1 3.64Å; Q8-L13 HydrophobicContact CB-CG 4.07Å |
| 9 | K | 72 | Confident | 68.4 | Low | 198 Ų | 198 | 127.2 Ų | 127.2 | 86% | 0.861 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 42.8 | 178.2 | -61 | 172.7 | 179.9 | 177.7 | 0 | 113.6 | K11 | K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å |
| 10 | G | 77.2 | Confident | 68 | Low | 83 Ų | 83 | 129.5 Ų | 129.5 | 86% | 0.856 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.3 | 17.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q8 | Q8-G10 VanDerWaalsContact C-N 3.31Å; Q8-G10 PolarHBondContact O-N 3Å |
| 11 | K | 73.9 | Confident | 67.5 | Low | 119 Ų | 119 | 132.3 Ų | 132.3 | 52% | 0.517 | 67% | 0.674 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 132.5 | 178.4 | -145.3 | 76.2 | 174.1 | -175.4 | 0 | 109.3 | Q8 K9 L13 Y16 | Q8-K11 PolarHBondContact N-O 2.94Å; Q8-K11 PolarHBondContact O-N 3.28Å; K9-K11 PolarHBondContact O-N 2.96Å; K9-K11 VanDerWaalsContact O-N 3.17Å; K11-L13 PolarHBondContact O-N 3.45Å; K11-Y16 HydrophobicContact CG-CE2 3.92Å |
| 12 | D | 85.1 | Confident | 67.8 | Low | 54 Ų | 54 | 126.5 Ų | 126.5 | 29% | 0.289 | 65% | 0.652 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.3 | 173.8 | -165.1 | -33.2 | 0 | 0 | 0 | 109.3 | W7 T14 W15 | W7-D12 PolarHBondContact NE1-OD2 3.17Å; D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.08Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.32Å; D12-T14 PolarHBondContact OD1-N 3.25Å; D12-T14 PolarHBondContact OD1-OG1 3.4Å; D12-T14 PolarHBondContact OD2-OG1 2.63Å; D12-W15 VanDerWaalsContact O-CB 3.31Å; D12-W15 WeakPolarHBondContact O-CB 3.31Å; D12-W15 PolarHBondContact O-N 3.13Å |
| 13 | L | 79 | Confident | 67.7 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 43% | 0.429 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -68.7 | -26.7 | 179 | -78.1 | 158.7 | 0 | 0 | 0 | 112 | R6 Q8 K11 W15 Y16 | R6-L13 PolarHBondContact O-N 3.21Å; R6-L13 VanDerWaalsContact O-N 3.08Å; Q8-L13 HydrophobicContact CB-CD1 3.64Å; Q8-L13 HydrophobicContact CB-CG 4.07Å; K11-L13 PolarHBondContact O-N 3.45Å; L13-W15 PolarHBondContact O-N 3.29Å; L13-Y16 PolarHBondContact O-N 2.85Å; L13-Y16 VanDerWaalsContact O-N 3.13Å |
| 14 | T | 74.4 | Confident | 67.4 | Low | 52 Ų | 52 | 129 Ų | 129 | 32% | 0.319 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -66.1 | -25 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 112.5 | D12 Y16 A17 K18 | D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.08Å; D12-T14 WeakPolarHBondContact OD1-CB 3.48Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.32Å; D12-T14 PolarHBondContact OD1-N 3.25Å; D12-T14 PolarHBondContact OD1-OG1 3.4Å; D12-T14 PolarHBondContact OD2-OG1 2.63Å; T14-Y16 PolarHBondContact O-N 3.41Å; T14-A17 PolarHBondContact O-N 3.39Å; T14-A17 VanDerWaalsContact O-N 3.13Å; T14-K18 PolarHBondContact O-N 3.41Å |
| 15 | W | 72.3 | Confident | 67.3 | Low | 184 Ų | 184 | 127.1 Ų | 127.1 | 70% | 0.697 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -58.7 | -34.8 | 173.3 | -173.9 | -97.9 | 0 | 0 | 0 | 112.3 | D12 L13 | D12-W15 VanDerWaalsContact O-CB 3.31Å; D12-W15 WeakPolarHBondContact O-CB 3.31Å; D12-W15 PolarHBondContact O-N 3.13Å; L13-W15 PolarHBondContact O-N 3.29Å |
| 16 | Y | 65.1 | Low | 66.7 | Low | 143 Ų | 143 | 130.6 Ų | 130.6 | 56% | 0.561 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -86.6 | -10.7 | 179.4 | -65 | -74 | 0 | 0 | 0 | 114 | K11 L13 T14 | K11-Y16 HydrophobicContact CG-CE2 3.92Å; L13-Y16 PolarHBondContact O-N 2.85Å; L13-Y16 VanDerWaalsContact O-N 3.13Å; T14-Y16 PolarHBondContact O-N 3.41Å |
| 17 | A | 67.5 | Low | 66.2 | Low | 59 Ų | 59 | 124.2 Ų | 124.2 | 49% | 0.488 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.2 | -17.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | T14 D19 K20 | T14-A17 PolarHBondContact O-N 3.39Å; T14-A17 VanDerWaalsContact O-N 3.13Å; A17-D19 PolarHBondContact O-N 3.24Å; A17-K20 PolarHBondContact O-N 3.3Å |
| 18 | K | 63.1 | Low | 65.9 | Low | 146 Ų | 146 | 123 Ų | 123 | 64% | 0.635 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -26.4 | -171.3 | -147.5 | 150.2 | 178.7 | 172.6 | 0 | 113.9 | T14 | T14-K18 PolarHBondContact O-N 3.41Š|
| 19 | D | 59.9 | Low | 65.8 | Low | 152 Ų | 152 | 124.7 Ų | 124.7 | 81% | 0.813 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -3.6 | -175.9 | -56.5 | -21.2 | 0 | 0 | 0 | 113.4 | A17 | A17-D19 PolarHBondContact O-N 3.24Š|
| 20 | K | 61.2 | Low | 66 | Low | 173 Ų | 173 | 119.1 Ų | 119.1 | 75% | 0.752 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | -18.1 | -170.6 | -68.2 | -170.7 | 175.1 | -171.6 | 0 | 114.9 | A17 | A17-K20 PolarHBondContact O-N 3.3Š|
| 21 | K | 57.8 | Low | 65.6 | Low | 189 Ų | 189 | 121 Ų | 121 | 82% | 0.822 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -143.8 | -1.3 | -170.1 | -62.9 | -170.7 | 179.7 | -175.8 | 0 | 117.2 | | |
| 22 | T | 55.4 | Low | 65.6 | Low | 119 Ų | 119 | 121.3 Ų | 121.3 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -140.9 | 54.2 | -173.5 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 23 | G | 52 | Low | 65.4 | Low | 63 Ų | 63 | 121.5 Ų | 121.5 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | | | trans | 179.3 | 79.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P25 | G23-P25 VanDerWaalsContact O-CD 3.3Å; G23-P25 WeakPolarHBondContact O-CD 3.41Å; G23-P25 VanDerWaalsContact O-N 3.13Å |
| 24 | K | 54.3 | Low | 65.5 | Low | 203 Ų | 203 | 120.7 Ų | 120.7 | 88% | 0.883 | 63% | 0.626 | S | S | * | * | | | trans | -53.1 | 117.6 | 150.4 | -130.2 | -179.1 | -179.7 | -166.3 | 0 | 104 | L26 | K24-L26 PolarHBondContact O-N 3.13Å; K24-L26 VanDerWaalsContact O-N 3.09Å |
| 25 | P | 54.3 | Low | 65.9 | Low | 110 Ų | 110 | 122 Ų | 122 | 71% | 0.714 | 63% | 0.634 | S | S | * | * | | | trans | -55 | 125.3 | 163.6 | 26.5 | -31.2 | 0 | 0 | 0 | 104.1 | G23 S27 | G23-P25 VanDerWaalsContact O-CD 3.3Å; G23-P25 WeakPolarHBondContact O-CD 3.41Å; G23-P25 VanDerWaalsContact O-N 3.13Å; P25-S27 PolarHBondContact O-N 3.42Å |
| 26 | L | 53.7 | Low | 66.7 | Low | 124 Ų | 124 | 120.1 Ų | 120.1 | 65% | 0.649 | 63% | 0.631 | S | S | * | * | | | trans | -42.8 | 123.5 | 162.9 | -70.4 | 160.5 | 0 | 0 | 0 | 105.1 | K24 K28 D30 | K24-L26 PolarHBondContact O-N 3.13Å; K24-L26 VanDerWaalsContact O-N 3.09Å; L26-K28 PolarHBondContact O-N 3.06Å; L26-D30 HydrophobicContact CB-CB 3.96Å; L26-D30 HydrophobicContact CD2-CB 4.42Å |
| 27 | S | 61.7 | Low | 67.6 | Low | 50 Ų | 50 | 116 Ų | 116 | 35% | 0.35 | 63% | 0.626 | S | S | . | * | | | trans | -52.8 | 148.2 | -172.4 | -177.8 | 0 | 0 | 0 | 0 | 107 | P25 E29 D30 E31 | P25-S27 PolarHBondContact O-N 3.42Å; S27-E29 CarbonylContact O-C 3.56Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 2.91Å; S27-D30 PolarHBondContact N-OD2 3.08Å; S27-D30 WeakPolarHBondContact O-CA 3.45Å; S27-D30 WeakPolarHBondContact O-CB 3.36Å; S27-D30 PolarHBondContact O-N 3.2Å; S27-E31 PolarHBondContact O-N 2.87Å |
| 28 | K | 68.5 | Low | 68.4 | Low | 174 Ų | 174 | 115.8 Ų | 115.8 | 76% | 0.757 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -49.7 | -27.1 | 176.4 | -68.5 | 175.3 | -179.8 | 172.8 | 0 | 111.9 | L26 L32 | L26-K28 PolarHBondContact O-N 3.06Å; K28-L32 VanDerWaalsContact O-CG 3.29Å; K28-L32 WeakPolarHBondContact O-CG 3.36Å; K28-L32 PolarHBondContact O-N 3.18Å; K28-L32 VanDerWaalsContact O-N 3.09Å |
| 29 | E | 72.8 | Confident | 69.5 | Low | 142 Ų | 142 | 114.5 Ų | 114.5 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.1 | -41.1 | 172.4 | -65 | 155.2 | 167.3 | 0 | 0 | 113.6 | S27 E31 L32 A33 | S27-E29 CarbonylContact O-C 3.56Å; S27-E29 PolarHBondContact O-N 3.3Å; S27-E29 PolarHBondContact OG-OE2 2.91Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-L32 PolarHBondContact O-N 3.25Å; E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.09Å |
| 30 | D | 76.2 | Confident | 70.7 | Confident | 81 Ų | 81 | 112.8 Ų | 112.8 | 43% | 0.433 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.3 | -37.6 | 177.1 | -61.7 | -32.9 | 0 | 0 | 0 | 111 | L26 S27 A33 A34 | L26-D30 HydrophobicContact CB-CB 3.96Å; L26-D30 HydrophobicContact CD2-CB 4.42Å; S27-D30 PolarHBondContact N-OD2 3.08Å; S27-D30 WeakPolarHBondContact O-CA 3.45Å; S27-D30 WeakPolarHBondContact O-CB 3.36Å; S27-D30 PolarHBondContact O-N 3.2Å; D30-A33 PolarHBondContact O-N 3.26Å; D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å |
| 31 | E | 70.4 | Confident | 71.6 | Confident | 122 Ų | 122 | 108.7 Ų | 108.7 | 57% | 0.57 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.6 | -42.8 | 174.4 | -63.7 | -175.8 | 167.7 | 0 | 0 | 111.3 | S27 E29 A34 V35 | S27-E31 PolarHBondContact O-N 2.87Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E31-A34 PolarHBondContact O-N 2.87Å; E31-V35 WeakPolarHBondContact O-CG2 3.3Å; E31-V35 PolarHBondContact O-N 3.36Å |
| 32 | L | 72.6 | Confident | 72.9 | Confident | 125 Ų | 125 | 102.6 Ų | 102.6 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.7 | -38.5 | 176 | -70.3 | 172.8 | 0 | 0 | 0 | 112.3 | K28 E29 V35 K36 | K28-L32 VanDerWaalsContact O-CG 3.29Å; K28-L32 WeakPolarHBondContact O-CG 3.36Å; K28-L32 PolarHBondContact O-N 3.18Å; K28-L32 VanDerWaalsContact O-N 3.09Å; E29-L32 PolarHBondContact O-N 3.25Å; L32-V35 PolarHBondContact O-N 3.33Å; L32-K36 WeakPolarHBondContact O-CB 3.01Å; L32-K36 PolarHBondContact O-N 3.16Å |
| 33 | A | 81.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 103 Ų | 103 | 49% | 0.488 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.2 | -40.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E29 D30 K36 A37 | E29-A33 VanDerWaalsContact O-CB 3.3Å; E29-A33 WeakPolarHBondContact O-CB 3.47Å; E29-A33 PolarHBondContact O-N 3.09Å; D30-A33 PolarHBondContact O-N 3.26Å; A33-K36 PolarHBondContact O-N 2.85Å; A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.21Å |
| 34 | A | 81 | Confident | 75.8 | Confident | 64 Ų | 64 | 104 Ų | 104 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.6 | -41.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D30 E31 A38 | D30-A34 WeakPolarHBondContact O-CB 3.4Å; D30-A34 PolarHBondContact O-N 2.85Å; E31-A34 PolarHBondContact O-N 2.87Å; A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.01Å; A34-A38 VanDerWaalsContact O-N 3.09Å |
| 35 | V | 81.9 | Confident | 77.1 | Confident | 79 Ų | 79 | 96.5 Ų | 96.5 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 175.7 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | E31 L32 A37 A38 E39 | E31-V35 WeakPolarHBondContact O-CG2 3.3Å; E31-V35 PolarHBondContact O-N 3.36Å; L32-V35 PolarHBondContact O-N 3.33Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.07Å; V35-A38 PolarHBondContact O-N 2.78Å; V35-E39 HydrophobicContact CG1-CG 4.46Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.09Å |
| 36 | K | 89.1 | Confident | 78.3 | Confident | 146 Ų | 146 | 95.3 Ų | 95.3 | 64% | 0.635 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -40 | 179.6 | -169.4 | 174.7 | -178.6 | 178.9 | 0 | 112.5 | L32 A33 E39 E40 | L32-K36 WeakPolarHBondContact O-CB 3.01Å; L32-K36 PolarHBondContact O-N 3.16Å; A33-K36 PolarHBondContact O-N 2.85Å; K36-E39 PolarHBondContact O-N 3.43Å; K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 PolarHBondContact O-N 2.95Å |
| 37 | A | 84.9 | Confident | 79.9 | Confident | 56 Ų | 56 | 96 Ų | 96 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | A33 V35 E39 E40 E41 | A33-A37 WeakPolarHBondContact O-CB 3.29Å; A33-A37 PolarHBondContact O-N 3.21Å; V35-A37 VanDerWaalsContact C-N 3.34Å; V35-A37 PolarHBondContact O-N 3.07Å; A37-E39 VanDerWaalsContact C-N 3.35Å; A37-E40 PolarHBondContact O-N 3.3Å; A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 3.32Å |
| 38 | A | 82.8 | Confident | 80.8 | Confident | 55 Ų | 55 | 96.4 Ų | 96.4 | 46% | 0.455 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A34 V35 A42 | A34-A38 WeakPolarHBondContact O-CB 3.33Å; A34-A38 PolarHBondContact O-N 3.01Å; A34-A38 VanDerWaalsContact O-N 3.09Å; V35-A38 PolarHBondContact O-N 2.78Å; A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.07Å |
| 39 | E | 87.5 | Confident | 81.1 | Confident | 119 Ų | 119 | 93.4 Ų | 93.4 | 56% | 0.556 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -42.5 | 175.1 | -72.5 | 175.4 | 177.6 | 0 | 0 | 112.1 | V35 K36 A37 A42 L43 | V35-E39 HydrophobicContact CG1-CG 4.46Å; V35-E39 WeakPolarHBondContact O-CG 3.43Å; V35-E39 PolarHBondContact O-N 3.09Å; K36-E39 PolarHBondContact O-N 3.43Å; A37-E39 VanDerWaalsContact C-N 3.35Å; E39-A42 PolarHBondContact O-N 3.49Å; E39-L43 PolarHBondContact O-N 3.47Å |
| 40 | E | 84.1 | Confident | 81.1 | Confident | 115 Ų | 115 | 96.1 Ų | 96.1 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.2 | -43.5 | 175.8 | -173.6 | 178.3 | 170.4 | 0 | 0 | 111.4 | K36 A37 A42 L43 M44 | K36-E40 WeakPolarHBondContact O-CB 3.41Å; K36-E40 PolarHBondContact O-N 2.95Å; A37-E40 PolarHBondContact O-N 3.3Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.49Å; E40-L43 PolarHBondContact O-N 3.14Å; E40-M44 HydrophobicContact CG-CE 4.37Å; E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 3.28Å |
| 41 | E | 81.6 | Confident | 80.4 | Confident | 88 Ų | 88 | 95.1 Ų | 95.1 | 41% | 0.411 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 173.8 | -174.4 | -179.3 | -176.3 | 0 | 0 | 111.7 | A37 M44 A45 V51 | A37-E41 WeakPolarHBondContact O-CB 3.46Å; A37-E41 PolarHBondContact O-N 3.32Å; E41-M44 PolarHBondContact O-N 2.86Å; E41-A45 WeakPolarHBondContact O-CB 3.49Å; E41-A45 PolarHBondContact O-N 3.39Å; E41-V51 HydrophobicContact CG-CG1 4.22Å; E41-V51 HydrophobicContact CG-CG2 4.05Å; E41-V51 WeakPolarHBondContact OE1-CG1 3.48Å |
| 42 | A | 83.6 | Confident | 80.1 | Confident | 60 Ų | 60 | 96 Ų | 96 | 50% | 0.496 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.5 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A38 E39 E40 A45 A46 | A38-A42 WeakPolarHBondContact O-CB 3.46Å; A38-A42 PolarHBondContact O-N 3.07Å; E39-A42 PolarHBondContact O-N 3.49Å; E40-A42 VanDerWaalsContact C-N 3.31Å; E40-A42 PolarHBondContact O-N 3.49Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 2.75Å; A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 3.19Å |
| 43 | L | 86.8 | Confident | 79.6 | Confident | 128 Ų | 128 | 98 Ų | 98 | 67% | 0.67 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.7 | -41.8 | 173.9 | -79.7 | 175.9 | 0 | 0 | 0 | 112.1 | E39 E40 A45 A46 L47 | E39-L43 PolarHBondContact O-N 3.47Å; E40-L43 PolarHBondContact O-N 3.14Å; L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 3.09Å; L43-A46 PolarHBondContact O-N 2.85Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.99Å |
| 44 | M | 82.9 | Confident | 78.7 | Confident | 85 Ų | 85 | 106 Ų | 106 | 42% | 0.419 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60.1 | -42.1 | 173.2 | -74.4 | -165.5 | -71.9 | 0 | 0 | 111.3 | E40 E41 L47 G48 H49 | E40-M44 HydrophobicContact CG-CE 4.37Å; E40-M44 WeakPolarHBondContact O-CG 3.09Å; E40-M44 PolarHBondContact O-N 3.28Å; E41-M44 PolarHBondContact O-N 2.86Å; M44-L47 PolarHBondContact O-N 3.22Å; M44-G48 PolarHBondContact O-N 2.85Å; M44-H49 HydrophobicContact CB-CB 4.19Å; M44-H49 VanDerWaalsContact O-CB 3.29Å; M44-H49 WeakPolarHBondContact O-CB 3.33Å; M44-H49 PolarHBondContact O-CD2 2.96Å; M44-H49 PolarHBondContact O-N 2.9Å |
| 45 | A | 80.4 | Confident | 77.7 | Confident | 44 Ų | 44 | 109 Ų | 109 | 36% | 0.364 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.8 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E41 A42 L43 L47 G48 V51 | E41-A45 WeakPolarHBondContact O-CB 3.49Å; E41-A45 PolarHBondContact O-N 3.39Å; A42-A45 WeakPolarHBondContact O-CB 3.36Å; A42-A45 PolarHBondContact O-N 2.75Å; L43-A45 VanDerWaalsContact C-N 3.3Å; L43-A45 PolarHBondContact O-N 3.09Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3.47Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 3.48Å; A45-V51 HydrophobicContact CB-CG2 3.44Å; A45-V51 VanDerWaalsContact CB-CG2 3.44Å |
| 46 | A | 80.4 | Confident | 76.3 | Confident | 86 Ų | 86 | 111.4 Ų | 111.4 | 71% | 0.711 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.2 | -34.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A42 L43 G48 | A42-A46 WeakPolarHBondContact O-CB 3.45Å; A42-A46 PolarHBondContact O-N 3.19Å; L43-A46 PolarHBondContact O-N 2.85Å; A46-G48 PolarHBondContact O-N 3.25Å |
| 47 | L | 87.3 | Confident | 74.4 | Confident | 137 Ų | 137 | 109.3 Ų | 109.3 | 72% | 0.717 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -3 | 172.5 | -166.5 | 61.4 | 0 | 0 | 0 | 112.7 | L43 M44 A45 | L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 PolarHBondContact O-N 2.99Å; M44-L47 PolarHBondContact O-N 3.22Å; A45-L47 VanDerWaalsContact C-N 3.31Å; A45-L47 PolarHBondContact O-N 3.47Å |
| 48 | G | 80.6 | Confident | 73 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 62% | 0.619 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 89.2 | 9.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M44 A45 A46 K50 | M44-G48 PolarHBondContact O-N 2.85Å; A45-G48 WeakPolarHBondContact O-CA 3.2Å; A45-G48 PolarHBondContact O-N 3.48Å; A46-G48 PolarHBondContact O-N 3.25Å; G48-K50 PolarHBondContact O-N 3.15Å |
| 49 | H | 75.4 | Confident | 72 | Confident | 110 Ų | 110 | 113.5 Ų | 113.5 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | | | trans | -68.5 | 132.6 | 169.3 | -63.4 | -76.8 | 0 | 0 | 0 | 109.6 | M44 V51 | M44-H49 HydrophobicContact CB-CB 4.19Å; M44-H49 VanDerWaalsContact O-CB 3.29Å; M44-H49 WeakPolarHBondContact O-CB 3.33Å; M44-H49 PolarHBondContact O-CD2 2.96Å; M44-H49 PolarHBondContact O-N 2.9Å; H49-V51 PolarHBondContact O-N 3.32Å |
| 50 | K | 71.4 | Confident | 70.6 | Confident | 199 Ų | 199 | 111 Ų | 111 | 87% | 0.865 | 61% | 0.612 | S | S | * | * | | | trans | -66.2 | 103.5 | -178.1 | -62.9 | 175.1 | -175.2 | 174.2 | 0 | 109.3 | G48 I52 | G48-K50 PolarHBondContact O-N 3.15Å; K50-I52 PolarHBondContact O-N 3.14Å |
| 51 | V | 62.3 | Low | 69.8 | Low | 61 Ų | 61 | 114.4 Ų | 114.4 | 37% | 0.37 | 63% | 0.625 | S | S | . | * | | | trans | -67.4 | 99.3 | 167.6 | 174.9 | 0 | 0 | 0 | 0 | 108.4 | E41 A45 H49 K53 | E41-V51 HydrophobicContact CG-CG1 4.22Å; E41-V51 HydrophobicContact CG-CG2 4.05Å; E41-V51 WeakPolarHBondContact OE1-CG1 3.48Å; A45-V51 HydrophobicContact CB-CG2 3.44Å; A45-V51 VanDerWaalsContact CB-CG2 3.44Å; H49-V51 PolarHBondContact O-N 3.32Å; V51-K53 PolarHBondContact O-N 3Å |
| 52 | I | 63.9 | Low | 68.9 | Low | 139 Ų | 139 | 117.4 Ų | 117.4 | 71% | 0.713 | 64% | 0.639 | S | S | * | * | | | trans | -67.7 | 105.4 | 171.2 | -58.6 | 169.8 | 0 | 0 | 0 | 105.6 | K50 R54 | K50-I52 PolarHBondContact O-N 3.14Å; I52-R54 WeakPolarHBondContact O-CG 3.2Å; I52-R54 PolarHBondContact O-N 3.4Å |
| 53 | K | 61.4 | Low | 68.4 | Low | 168 Ų | 168 | 117.5 Ų | 117.5 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | | | trans | -54.7 | 102.2 | 173.1 | -68.1 | -179.8 | 179.2 | 179.4 | 0 | 108 | V51 Q55 | V51-K53 PolarHBondContact O-N 3Å; K53-Q55 PolarHBondContact O-N 3.11Å |
| 54 | R | 64.1 | Low | 67.8 | Low | 226 Ų | 226 | 117.1 Ų | 117.1 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | | | trans | -70.8 | 80 | 175.4 | -58 | -171.9 | 78.2 | 91.6 | -0.5 | 107.8 | I52 | I52-R54 WeakPolarHBondContact O-CG 3.2Å; I52-R54 PolarHBondContact O-N 3.4Å |
| 55 | Q | 58.8 | Low | 67.3 | Low | 128 Ų | 128 | 116.9 Ų | 116.9 | 60% | 0.598 | 63% | 0.632 | S | S | * | * | | | trans | -59.5 | 146.6 | 159.6 | -65.7 | -62.5 | -54.3 | 0 | 0 | 107.1 | K53 T57 | K53-Q55 PolarHBondContact O-N 3.11Å; Q55-T57 HydrophobicContact CB-CG2 4.3Å; Q55-T57 PolarHBondContact O-N 3.4Å; Q55-T57 PolarHBondContact O-OG1 2.79Å |
| 56 | P | 53.4 | Low | 66.9 | Low | 129 Ų | 129 | 120.5 Ų | 120.5 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | | | trans | -71.5 | 60.8 | 166.8 | 32.3 | -34.4 | 0 | 0 | 0 | 109.2 | G58 | P56-G58 PolarHBondContact O-N 2.91Š|
| 57 | T | 49.4 | Very low | 66.2 | Low | 102 Ų | 102 | 120.7 Ų | 120.7 | 63% | 0.626 | 63% | 0.634 | S | S | * | * | | | trans | -70.1 | 106.9 | 163.6 | 32.8 | 0 | 0 | 0 | 0 | 105.7 | Q55 L59 | Q55-T57 HydrophobicContact CB-CG2 4.3Å; Q55-T57 PolarHBondContact O-N 3.4Å; Q55-T57 PolarHBondContact O-OG1 2.79Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.87Å |
| 58 | G | 54.6 | Low | 65.2 | Low | 68 Ų | 68 | 117.9 Ų | 117.9 | 70% | 0.701 | 62% | 0.624 | S | S | * | * | | | trans | -56.3 | 101.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108 | P56 T60 | P56-G58 PolarHBondContact O-N 2.91Å; G58-T60 PolarHBondContact O-N 3.21Å; G58-T60 VanDerWaalsContact O-N 3.16Å |
| 59 | L | 61.8 | Low | 64.5 | Low | 131 Ų | 131 | 124.3 Ų | 124.3 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | | | trans | -60.7 | 119 | 173.9 | -66.1 | 170.4 | 0 | 0 | 0 | 106.5 | T57 D63 | T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 2.87Å; L59-D63 HydrophobicContact CB-CB 4.4Å; L59-D63 HydrophobicContact CD2-CB 4.26Å |
| 60 | T | 58 | Low | 63.4 | Low | 67 Ų | 67 | 127 Ų | 127 | 41% | 0.411 | 64% | 0.635 | S | S | . | * | | | trans | -72.2 | 158.9 | 179.2 | 62.8 | 0 | 0 | 0 | 0 | 108.7 | G58 E62 D63 L64 | G58-T60 PolarHBondContact O-N 3.21Å; G58-T60 VanDerWaalsContact O-N 3.16Å; T60-E62 PolarHBondContact O-N 2.81Å; T60-E62 VanDerWaalsContact O-N 3.09Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 WeakPolarHBondContact O-CB 3.45Å; T60-D63 PolarHBondContact O-N 2.89Å; T60-D63 VanDerWaalsContact OG1-CG 3.3Å; T60-D63 PolarHBondContact OG1-OD2 3.39Å; T60-L64 PolarHBondContact O-N 3.47Å |
| 61 | K | 66.8 | Low | 62.3 | Low | 187 Ų | 187 | 125.3 Ų | 125.3 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -58.2 | -25.6 | 178.7 | -65.3 | 178.8 | -179.4 | 178.7 | 0 | 111.9 | V65 | K61-V65 WeakPolarHBondContact O-CG2 3.49Å; K61-V65 PolarHBondContact O-N 2.77Å |
| 62 | E | 64.3 | Low | 61.4 | Low | 150 Ų | 150 | 131.2 Ų | 131.2 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -42.2 | 175.5 | -69.6 | 148.5 | -157.6 | 0 | 0 | 111.6 | T60 L64 V65 E66 | T60-E62 PolarHBondContact O-N 2.81Å; T60-E62 VanDerWaalsContact O-N 3.09Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.92Å; E62-V65 PolarHBondContact O-N 3.04Å; E62-E66 WeakPolarHBondContact O-CB 3.45Å; E62-E66 PolarHBondContact O-N 3.48Å |
| 63 | D | 72.3 | Confident | 60.8 | Low | 63 Ų | 63 | 128.5 Ų | 128.5 | 34% | 0.337 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -62 | -35.6 | 176.2 | -60.5 | -46.8 | 0 | 0 | 0 | 112.1 | L59 T60 E66 V67 | L59-D63 HydrophobicContact CB-CB 4.4Å; L59-D63 HydrophobicContact CD2-CB 4.26Å; T60-D63 PolarHBondContact N-OD2 2.91Å; T60-D63 WeakPolarHBondContact O-CB 3.45Å; T60-D63 PolarHBondContact O-N 2.89Å; T60-D63 VanDerWaalsContact OG1-CG 3.3Å; T60-D63 PolarHBondContact OG1-OD2 3.39Å; D63-E66 PolarHBondContact O-N 3.02Å; D63-V67 WeakPolarHBondContact O-CG2 3.44Å; D63-V67 PolarHBondContact O-N 3.47Å |
| 64 | L | 74 | Confident | 59.9 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 63% | 0.628 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.8 | -37.8 | 177.6 | -165.3 | 67.4 | 0 | 0 | 0 | 111.8 | T60 E62 V67 C68 | T60-L64 PolarHBondContact O-N 3.47Å; E62-L64 VanDerWaalsContact C-N 3.28Å; E62-L64 PolarHBondContact O-N 2.92Å; L64-V67 PolarHBondContact O-N 3.36Å; L64-C68 PolarHBondContact O-N 3.12Å; L64-C68 VanDerWaalsContact O-N 3.14Å; L64-C68 PolarHBondContact O-SG 3.49Å |
| 65 | V | 73.5 | Confident | 59.4 | Low | 80 Ų | 80 | 120 Ų | 120 | 49% | 0.485 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -70 | -35.8 | 175 | 172 | 0 | 0 | 0 | 0 | 111.1 | K61 E62 C68 R69 | K61-V65 WeakPolarHBondContact O-CG2 3.49Å; K61-V65 PolarHBondContact O-N 2.77Å; E62-V65 PolarHBondContact O-N 3.04Å; V65-C68 PolarHBondContact O-N 2.89Å; V65-R69 WeakPolarHBondContact O-CB 3.03Å; V65-R69 PolarHBondContact O-N 2.96Å |
| 66 | E | 70.4 | Confident | 58.4 | Low | 120 Ų | 120 | 121 Ų | 121 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -68.9 | -34 | 176.9 | -167 | 165.4 | -170.4 | 0 | 0 | 112 | E62 D63 R70 | E62-E66 WeakPolarHBondContact O-CB 3.45Å; E62-E66 PolarHBondContact O-N 3.48Å; D63-E66 PolarHBondContact O-N 3.02Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.35Å |
| 67 | V | 65.8 | Low | 58 | Low | 90 Ų | 90 | 120.7 Ų | 120.7 | 55% | 0.545 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.3 | -44.8 | 171.1 | 172.2 | 0 | 0 | 0 | 0 | 111.5 | D63 L64 R69 R70 E71 | D63-V67 WeakPolarHBondContact O-CG2 3.44Å; D63-V67 PolarHBondContact O-N 3.47Å; L64-V67 PolarHBondContact O-N 3.36Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.02Å; V67-R70 PolarHBondContact O-N 3.49Å; V67-E71 PolarHBondContact O-N 3.33Å |
| 68 | C | 66.3 | Low | 57.6 | Low | 77 Ų | 77 | 124.6 Ų | 124.6 | 52% | 0.52 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.4 | -37.7 | 175.8 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | L64 V65 | L64-C68 PolarHBondContact O-N 3.12Å; L64-C68 VanDerWaalsContact O-N 3.14Å; L64-C68 PolarHBondContact O-SG 3.49Å; V65-C68 PolarHBondContact O-N 2.89Å |
| 69 | R | 67.6 | Low | 57.1 | Low | 195 Ų | 195 | 126.1 Ų | 126.1 | 74% | 0.736 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.9 | -29.3 | 173.8 | -86.3 | -176.3 | 165.4 | 168.3 | -3.4 | 113.3 | V65 V67 | V65-R69 WeakPolarHBondContact O-CB 3.03Å; V65-R69 PolarHBondContact O-N 2.96Å; V67-R69 VanDerWaalsContact C-N 3.35Å; V67-R69 PolarHBondContact O-N 3.02Å |
| 70 | R | 51.5 | Low | 56.5 | Low | 166 Ų | 166 | 127.2 Ų | 127.2 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -79.9 | -34.4 | 179 | -179.7 | 174.7 | -109.1 | 160.8 | -0.1 | 112.4 | E66 V67 E72 A73 D74 | E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 PolarHBondContact O-N 3.35Å; V67-R70 PolarHBondContact O-N 3.49Å; R70-E72 VanDerWaalsContact C-N 3.26Å; R70-E72 PolarHBondContact O-N 3.46Å; R70-A73 PolarHBondContact O-N 3.08Å; R70-D74 PolarHBondContact O-N 3.08Å |
| 71 | E | 47.2 | Very low | 56.5 | Low | 165 Ų | 165 | 130.1 Ų | 130.1 | 77% | 0.771 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.1 | -28.7 | 177.4 | -165.7 | 177.6 | -164.8 | 0 | 0 | 112.3 | V67 | V67-E71 PolarHBondContact O-N 3.33Å |
| 72 | E | 45 | Very low | 56 | Low | 184 Ų | 184 | 132.4 Ų | 132.4 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | -11.3 | 174.7 | -65.5 | -162.9 | 174 | 0 | 0 | 114.4 | R70 | R70-E72 VanDerWaalsContact C-N 3.26Å; R70-E72 PolarHBondContact O-N 3.46Å |
| 73 | A | 51.2 | Low | 55.5 | Low | 82 Ų | 82 | 133 Ų | 133 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | -5.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R70 | R70-A73 PolarHBondContact O-N 3.08Š|
| 74 | D | 42.4 | Very low | 54.5 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 72% | 0.717 | 70% | 0.702 | S | S | * | * | | | trans | -130.7 | 46.9 | -170.6 | -131.9 | -20.6 | 0 | 0 | 0 | 113 | R70 | R70-D74 PolarHBondContact O-N 3.08Š|
| 75 | G | 52.2 | Low | 54.1 | Low | 81 Ų | 81 | 132.7 Ų | 132.7 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -105.2 | 9.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 76 | E | 39 | Very low | 53.2 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -149.5 | 109.8 | -175.2 | -166.7 | 178.1 | -176.6 | 0 | 0 | 113.1 | | |
| 77 | E | 43.9 | Very low | 52.5 | Low | 124 Ų | 124 | 135.1 Ų | 135.1 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | | | trans | 52.1 | 128 | 137.7 | -148 | -161.8 | 154.2 | 0 | 0 | 120.5 | | |
| 78 | R | 42.2 | Very low | 51.9 | Low | 183 Ų | 183 | 136.8 Ų | 136.8 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | | | trans | 82.8 | 114.8 | 162.6 | -52.8 | 111.6 | 162.1 | 160.1 | 9.1 | 118.1 | | |
| 79 | S | 42.8 | Very low | 51 | Low | 100 Ų | 100 | 138.7 Ų | 138.7 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | | 166 | 99.3 | 90.9 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | D81 | S79-D81 PolarHBondContact O-N 3Å; S79-D81 VanDerWaalsContact O-N 3.16Å |
| 80 | V | 50.3 | Low | 50.2 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | | | trans | -64.7 | 101.8 | 149.5 | -92.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 81 | D | 57.2 | Low | 50.2 | Low | 128 Ų | 128 | 134 Ų | 134 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | | | trans | 160.1 | 99.7 | 147.7 | -171.7 | 32.6 | 0 | 0 | 0 | 110.5 | S79 | S79-D81 PolarHBondContact O-N 3Å; S79-D81 VanDerWaalsContact O-N 3.16Å |
| 82 | R | 57.2 | Low | 50.5 | Low | 234 Ų | 234 | 129.6 Ų | 129.6 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -166.8 | 76.7 | 152.9 | -114.5 | 175.9 | -90.2 | 177.9 | -5.8 | 110.3 | S84 | R82-S84 PolarHBondContact O-N 3.28Š|
| 83 | I | 53.7 | Low | 50.9 | Low | 164 Ų | 164 | 125.7 Ų | 125.7 | 84% | 0.841 | 77% | 0.772 | S | S | * | * | | | trans | -69.2 | 114.1 | 153.3 | -59.2 | 160.2 | 0 | 0 | 0 | 106.3 | | |
| 84 | S | 50.1 | Low | 51.1 | Low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | | | trans | -171.8 | 126.7 | 151.1 | -159.2 | 0 | 0 | 0 | 0 | 110.3 | R82 | R82-S84 PolarHBondContact O-N 3.28Š|
| 85 | G | 65.9 | Low | 51.7 | Low | 66 Ų | 66 | 136 Ų | 136 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | | | trans | -74 | 156.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 86 | L | 56.2 | Low | 52.2 | Low | 179 Ų | 179 | 136.9 Ų | 136.9 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | | | trans | -166.6 | 103.1 | 160 | -88.6 | 127.7 | 0 | 0 | 0 | 103.7 | | |
| 87 | G | 53.8 | Low | 53.6 | Low | 72 Ų | 72 | 137.7 Ų | 137.7 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | | 94.6 | 92.9 | 53.1 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 88 | S | 54.2 | Low | 54.8 | Low | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -154.3 | 108.7 | 154.8 | -86.3 | 0 | 0 | 0 | 0 | 111 | | |
| 89 | S | 47.4 | Very low | 56.4 | Low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.6 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | V91 | S89-V91 PolarHBondContact O-N 3.29Š|
| 90 | S | 49.8 | Very low | 58.2 | Low | 111 Ų | 111 | 131 Ų | 131 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 119.9 | 165.8 | 63.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 91 | V | 53 | Low | 59.4 | Low | 150 Ų | 150 | 131.5 Ų | 131.5 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 118.5 | 164.3 | 102 | 0 | 0 | 0 | 0 | 107.4 | S89 | S89-V91 PolarHBondContact O-N 3.29Š|
| 92 | G | 53.8 | Low | 60.4 | Low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 115.7 | 1.2 | 155 | 0 | 0 | 0 | 0 | 0 | 120.3 | R94 | G92-R94 PolarHBondContact O-N 3.28Š|
| 93 | S | 51.7 | Low | 61.6 | Low | 101 Ų | 101 | 124.2 Ų | 124.2 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | | | trans | -94.3 | 97.8 | 175.1 | -55.3 | 0 | 0 | 0 | 0 | 110.3 | K95 | S93-K95 PolarHBondContact O-N 3.39Å; S93-K95 VanDerWaalsContact O-N 3.07Å |
| 94 | R | 57.2 | Low | 62.8 | Low | 232 Ų | 232 | 121.7 Ų | 121.7 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | | | trans | -44.5 | 121.7 | 162.4 | -73.7 | -178.8 | -73.2 | -141.7 | -2.9 | 107.5 | G92 I96 | G92-R94 PolarHBondContact O-N 3.28Å; R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.96Å |
| 95 | K | 54.3 | Low | 64.4 | Low | 200 Ų | 200 | 117.7 Ų | 117.7 | 87% | 0.87 | 67% | 0.674 | S | S | * | * | | | trans | -66.7 | 87.1 | -176.9 | -62.2 | 175.5 | -173.6 | 175.8 | 0 | 108.5 | S93 L97 | S93-K95 PolarHBondContact O-N 3.39Å; S93-K95 VanDerWaalsContact O-N 3.07Å; K95-L97 PolarHBondContact O-N 3.19Å |
| 96 | I | 63.6 | Low | 65.2 | Low | 100 Ų | 100 | 117.1 Ų | 117.1 | 51% | 0.513 | 66% | 0.663 | S | S | . | * | | | trans | -71.2 | 110 | 168.7 | -53.2 | 167.7 | 0 | 0 | 0 | 105.1 | R94 L98 T114 | R94-I96 VanDerWaalsContact C-N 3.27Å; R94-I96 PolarHBondContact O-N 2.96Å; I96-L98 HydrophobicContact CG2-CG 4.39Å; I96-L98 PolarHBondContact O-N 3.31Å; I96-T114 HydrophobicContact CG2-CG2 4.1Å |
| 97 | L | 68 | Low | 66.6 | Low | 166 Ų | 166 | 117.3 Ų | 117.3 | 87% | 0.869 | 66% | 0.656 | S | S | * | * | | | trans | -69.3 | 86.8 | 175 | -70.7 | 174.1 | 0 | 0 | 0 | 108.6 | K95 | K95-L97 PolarHBondContact O-N 3.19Š|
| 98 | L | 68.9 | Low | 68 | Low | 53 Ų | 53 | 120.9 Ų | 120.9 | 28% | 0.277 | 66% | 0.655 | S | S | . | * | | | trans | -69.5 | 129.6 | 175.1 | -70.4 | 133.8 | 0 | 0 | 0 | 109.7 | I96 E102 K103 I112 T114 | I96-L98 HydrophobicContact CG2-CG 4.39Å; I96-L98 PolarHBondContact O-N 3.31Å; L98-E102 VanDerWaalsContact CA-OE2 3.29Å; L98-E102 WeakPolarHBondContact CA-OE2 3.39Å; L98-E102 HydrophobicContact CB-CB 4.09Å; L98-E102 HydrophobicContact CD2-CB 3.72Å; L98-K103 HydrophobicContact CB-CG 3.83Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; L98-I112 HydrophobicContact CD2-CD1 3.47Å; L98-I112 VanDerWaalsContact CD2-CD1 3.47Å; L98-I112 HydrophobicContact CD2-CG2 3.87Å; L98-T114 HydrophobicContact CD2-CG2 4.48Å |
| 99 | S | 74.7 | Confident | 69.2 | Low | 67 Ų | 67 | 118.1 Ų | 118.1 | 47% | 0.469 | 65% | 0.646 | S | S | . | * | | | trans | -62.5 | 157.5 | 171.8 | 178.6 | 0 | 0 | 0 | 0 | 110.6 | K101 E102 K103 | S99-K101 PolarHBondContact O-N 3.12Å; S99-K101 VanDerWaalsContact O-N 3.12Å; S99-E102 PolarHBondContact N-OE2 3.37Å; S99-E102 WeakPolarHBondContact O-CA 3.3Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 3.4Å; S99-K103 PolarHBondContact O-N 3.34Å |
| 100 | Q | 80.4 | Confident | 70.9 | Confident | 146 Ų | 146 | 117.5 Ų | 117.5 | 68% | 0.682 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -52.7 | -38.1 | -179.4 | -173.4 | 172.8 | -1.2 | 0 | 0 | 112.3 | K103 E104 | Q100-K103 PolarHBondContact O-N 3.41Å; Q100-E104 WeakPolarHBondContact O-CG 3.4Å; Q100-E104 PolarHBondContact O-N 3.01Å |
| 101 | K | 75.6 | Confident | 71.9 | Confident | 167 Ų | 167 | 118.1 Ų | 118.1 | 73% | 0.726 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -67.3 | -34.8 | 176.6 | -63.1 | 178.1 | -178.8 | 172.6 | 0 | 112.9 | S99 A105 | S99-K101 PolarHBondContact O-N 3.12Å; S99-K101 VanDerWaalsContact O-N 3.12Å; K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.21Å |
| 102 | E | 79.1 | Confident | 72.8 | Confident | 77 Ų | 77 | 113.4 Ų | 113.4 | 36% | 0.36 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -75 | -38.5 | 177.1 | -63.9 | 173 | 170.1 | 0 | 0 | 110.5 | L98 S99 E104 A105 A106 I112 | L98-E102 VanDerWaalsContact CA-OE2 3.29Å; L98-E102 WeakPolarHBondContact CA-OE2 3.39Å; L98-E102 HydrophobicContact CB-CB 4.09Å; L98-E102 HydrophobicContact CD2-CB 3.72Å; S99-E102 PolarHBondContact N-OE2 3.37Å; S99-E102 WeakPolarHBondContact O-CA 3.3Å; S99-E102 WeakPolarHBondContact O-CB 3.46Å; S99-E102 PolarHBondContact O-N 3.4Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.2Å; E102-A105 WeakPolarHBondContact O-CB 3.36Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-A105 VanDerWaalsContact O-N 3.11Å; E102-A106 PolarHBondContact O-N 3.2Å; E102-I112 HydrophobicContact CB-CD1 4.22Å; E102-I112 HydrophobicContact CB-CG2 4.34Å; E102-I112 HydrophobicContact CG-CG2 4.44Å; E102-I112 WeakPolarHBondContact O-CD1 3.37Å |
| 103 | K | 82.4 | Confident | 73.5 | Confident | 131 Ų | 131 | 117.3 Ų | 117.3 | 57% | 0.57 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.9 | -41 | 172.1 | -68.1 | 176.2 | 177.2 | 170.4 | 0 | 111.8 | L98 S99 Q100 K107 | L98-K103 HydrophobicContact CB-CG 3.83Å; L98-K103 WeakPolarHBondContact O-CE 3.29Å; S99-K103 PolarHBondContact O-N 3.34Å; Q100-K103 PolarHBondContact O-N 3.41Å; K103-K107 WeakPolarHBondContact O-CB 3.49Å; K103-K107 PolarHBondContact O-N 3.12Å |
| 104 | E | 79 | Confident | 74.2 | Confident | 111 Ų | 111 | 115 Ų | 115 | 52% | 0.519 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 172.5 | -74.3 | 175.7 | -173.6 | 0 | 0 | 111.5 | Q100 E102 A106 K107 M108 | Q100-E104 WeakPolarHBondContact O-CG 3.4Å; Q100-E104 PolarHBondContact O-N 3.01Å; E102-E104 VanDerWaalsContact C-N 3.29Å; E102-E104 PolarHBondContact O-N 3.2Å; E104-A106 PolarHBondContact O-N 3.39Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.26Å; E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.4Å; E104-M108 PolarHBondContact O-N 3.49Å |
| 105 | A | 83.4 | Confident | 74 | Confident | 26 Ų | 26 | 111.4 Ų | 111.4 | 22% | 0.215 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -60.9 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K101 E102 K107 M108 G109 L110 I112 | K101-A105 WeakPolarHBondContact O-CB 3.47Å; K101-A105 PolarHBondContact O-N 3.21Å; E102-A105 WeakPolarHBondContact O-CB 3.36Å; E102-A105 PolarHBondContact O-N 3.06Å; E102-A105 VanDerWaalsContact O-N 3.11Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.3Å; A105-M108 CarbonylContact O-C 3.41Å; A105-M108 PolarHBondContact O-N 3.23Å; A105-M108 VanDerWaalsContact O-N 3.14Å; A105-G109 PolarHBondContact O-N 3.06Å; A105-G109 VanDerWaalsContact O-N 3.15Å; A105-L110 HydrophobicContact CB-CB 4.12Å; A105-L110 HydrophobicContact CB-CD1 4.3Å; A105-L110 WeakPolarHBondContact O-CB 3.48Å; A105-L110 PolarHBondContact O-N 3.11Å; A105-I112 HydrophobicContact CB-CG1 4.34Å |
| 106 | A | 82.4 | Confident | 73.8 | Confident | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E102 E104 M108 G109 I112 | E102-A106 PolarHBondContact O-N 3.2Å; E104-A106 PolarHBondContact O-N 3.39Å; A106-M108 PolarHBondContact O-N 2.97Å; A106-G109 PolarHBondContact O-N 3.41Å; A106-I112 HydrophobicContact CB-CD1 3.38Å; A106-I112 HydrophobicContact CB-CG1 4.29Å |
| 107 | K | 85.4 | Confident | 73 | Confident | 183 Ų | 183 | 113.8 Ų | 113.8 | 80% | 0.796 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.8 | -30.3 | 177.2 | -173.4 | 175.8 | 179.5 | -177.8 | 0 | 112 | K103 E104 A105 G109 | K103-K107 WeakPolarHBondContact O-CB 3.49Å; K103-K107 PolarHBondContact O-N 3.12Å; E104-K107 WeakPolarHBondContact O-CB 3.39Å; E104-K107 PolarHBondContact O-N 3.26Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.3Å; K107-G109 VanDerWaalsContact C-N 3.28Å |
| 108 | M | 83.2 | Confident | 71.7 | Confident | 146 Ų | 146 | 111.6 Ų | 111.6 | 72% | 0.719 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 6.5 | 174.2 | -63.3 | -60 | -72.9 | 0 | 0 | 113.2 | E104 A105 A106 L110 | E104-M108 WeakPolarHBondContact O-CB 3.46Å; E104-M108 WeakPolarHBondContact O-CG 3.4Å; E104-M108 PolarHBondContact O-N 3.49Å; A105-M108 CarbonylContact O-C 3.41Å; A105-M108 PolarHBondContact O-N 3.23Å; A105-M108 VanDerWaalsContact O-N 3.14Å; A106-M108 PolarHBondContact O-N 2.97Å; M108-L110 HydrophobicContact CB-CD1 4.04Å; M108-L110 HydrophobicContact CB-CG 4.43Å; M108-L110 PolarHBondContact O-N 3.42Å |
| 109 | G | 80.5 | Confident | 70.5 | Confident | 67 Ų | 67 | 118.3 Ų | 118.3 | 69% | 0.691 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 68.1 | 14.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A105 A106 K107 | A105-G109 PolarHBondContact O-N 3.06Å; A105-G109 VanDerWaalsContact O-N 3.15Å; A106-G109 PolarHBondContact O-N 3.41Å; K107-G109 VanDerWaalsContact C-N 3.28Å |
| 110 | L | 82 | Confident | 68.7 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 55% | 0.55 | 62% | 0.624 | S | S | . | * | | | trans | -76.5 | 134.1 | 175.9 | -70.9 | 155.4 | 0 | 0 | 0 | 109.1 | A105 M108 I112 | A105-L110 HydrophobicContact CB-CB 4.12Å; A105-L110 HydrophobicContact CB-CD1 4.3Å; A105-L110 WeakPolarHBondContact O-CB 3.48Å; A105-L110 PolarHBondContact O-N 3.11Å; M108-L110 HydrophobicContact CB-CD1 4.04Å; M108-L110 HydrophobicContact CB-CG 4.43Å; M108-L110 PolarHBondContact O-N 3.42Å; L110-I112 PolarHBondContact O-N 3.35Å; L110-I112 VanDerWaalsContact O-N 3.09Å |
| 111 | P | 72 | Confident | 66.3 | Low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 64% | 0.635 | S | S | * | * | | | trans | -65.4 | 114.6 | 179.7 | 26.2 | -32.9 | 0 | 0 | 0 | 109.6 | F113 | P111-F113 PolarHBondContact O-N 3.34Š|
| 112 | I | 71.9 | Confident | 64.9 | Low | 50 Ų | 50 | 123.9 Ų | 123.9 | 26% | 0.256 | 64% | 0.639 | S | S | . | * | | | trans | -84.7 | 102.1 | 175.1 | -50.5 | 179.4 | 0 | 0 | 0 | 107.6 | L98 E102 A105 A106 L110 T114 | L98-I112 HydrophobicContact CD2-CD1 3.47Å; L98-I112 VanDerWaalsContact CD2-CD1 3.47Å; L98-I112 HydrophobicContact CD2-CG2 3.87Å; E102-I112 HydrophobicContact CB-CD1 4.22Å; E102-I112 HydrophobicContact CB-CG2 4.34Å; E102-I112 HydrophobicContact CG-CG2 4.44Å; E102-I112 WeakPolarHBondContact O-CD1 3.37Å; A105-I112 HydrophobicContact CB-CG1 4.34Å; A106-I112 HydrophobicContact CB-CD1 3.38Å; A106-I112 HydrophobicContact CB-CG1 4.29Å; L110-I112 PolarHBondContact O-N 3.35Å; L110-I112 VanDerWaalsContact O-N 3.09Å; I112-T114 HydrophobicContact CG2-CG2 3.68Å; I112-T114 PolarHBondContact O-N 3.28Å |
| 113 | F | 67.6 | Low | 62.9 | Low | 157 Ų | 157 | 128.8 Ų | 128.8 | 69% | 0.689 | 66% | 0.662 | S | S | * | * | | | trans | -78.2 | 79 | 175.1 | -159.7 | -94.2 | 0 | 0 | 0 | 109.3 | P111 H115 | P111-F113 PolarHBondContact O-N 3.34Å; F113-H115 AromaticContact CD1-CD2 3.62Å; F113-H115 AromaticContact CD1-CE1 3.66Å; F113-H115 AromaticContact CD1-CG 3.98Å; F113-H115 AromaticContact CD1-ND1 3.99Å; F113-H115 AromaticContact CD1-NE2 3.41Å; F113-H115 WeakPolarHBondContact CD1-NE2 3.44Å; F113-H115 AromaticContact CE1-CE1 3.36Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.45Å; F113-H115 AromaticContact CE1-CG 4Å; F113-H115 AromaticContact CE1-ND1 3.58Å; F113-H115 AromaticContact CE1-NE2 3.64Å; F113-H115 PolarHBondContact O-N 3.03Å; F113-H115 VanDerWaalsContact O-N 3.08Å |
| 114 | T | 67.2 | Low | 60.5 | Low | 53 Ų | 53 | 128.6 Ų | 128.6 | 33% | 0.325 | 67% | 0.672 | S | S | . | * | | | trans | -70.9 | 104.5 | 172.2 | 60.3 | 0 | 0 | 0 | 0 | 107.6 | I96 L98 I112 H116 | I96-T114 HydrophobicContact CG2-CG2 4.1Å; L98-T114 HydrophobicContact CD2-CG2 4.48Å; I112-T114 HydrophobicContact CG2-CG2 3.68Å; I112-T114 PolarHBondContact O-N 3.28Å; T114-H116 PolarHBondContact O-N 3.16Å |
| 115 | H | 53.1 | Low | 59 | Low | 155 Ų | 155 | 128.8 Ų | 128.8 | 72% | 0.718 | 69% | 0.686 | S | S | * | * | | | trans | -63.4 | 99.3 | 172.5 | -76.2 | -91.9 | 0 | 0 | 0 | 108.8 | F113 K117 | F113-H115 AromaticContact CD1-CD2 3.62Å; F113-H115 AromaticContact CD1-CE1 3.66Å; F113-H115 AromaticContact CD1-CG 3.98Å; F113-H115 AromaticContact CD1-ND1 3.99Å; F113-H115 AromaticContact CD1-NE2 3.41Å; F113-H115 WeakPolarHBondContact CD1-NE2 3.44Å; F113-H115 AromaticContact CE1-CE1 3.36Å; F113-H115 WeakPolarHBondContact CE1-CE1 3.45Å; F113-H115 AromaticContact CE1-CG 4Å; F113-H115 AromaticContact CE1-ND1 3.58Å; F113-H115 AromaticContact CE1-NE2 3.64Å; F113-H115 PolarHBondContact O-N 3.03Å; F113-H115 VanDerWaalsContact O-N 3.08Å; H115-K117 PolarHBondContact O-N 3.01Å |
| 116 | H | 49.4 | Very low | 56.5 | Low | 145 Ų | 145 | 132.2 Ų | 132.2 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | | | trans | -68.7 | 110.1 | 166.4 | 49 | -80.8 | 0 | 0 | 0 | 106.9 | T114 T118 | T114-H116 PolarHBondContact O-N 3.16Å; H116-T118 VanDerWaalsContact C-N 3.32Å; H116-T118 PolarHBondContact O-N 2.94Å |
| 117 | K | 46.8 | Very low | 54.2 | Low | 206 Ų | 206 | 135.6 Ų | 135.6 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | | | trans | -71.8 | 96.8 | 162.9 | -69.5 | -178.3 | 175.4 | -177.7 | 0 | 106.1 | H115 | H115-K117 PolarHBondContact O-N 3.01Š|
| 118 | T | 40 | Very low | 51.8 | Low | 119 Ų | 119 | 136.5 Ų | 136.5 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | | | trans | -65.3 | 141.5 | 164.3 | 38.9 | 0 | 0 | 0 | 0 | 109 | H116 | H116-T118 VanDerWaalsContact C-N 3.32Å; H116-T118 PolarHBondContact O-N 2.94Å |
| 119 | E | 44.2 | Very low | 49.5 | Very low | 194 Ų | 194 | 136.2 Ų | 136.2 | 91% | 0.907 | 74% | 0.74 | S | S | * | * | | | trans | -64.4 | 157.6 | -168.3 | -62.5 | 162.2 | 157.9 | 0 | 0 | 113.7 | | |
| 120 | G | 37.7 | Very low | 47.3 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | | | trans | 104.3 | 92.3 | 151 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 121 | R | 29.6 | Very low | 45.2 | Very low | 243 Ų | 243 | 142.4 Ų | 142.4 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | | 176.2 | 127.2 | 126 | -169.1 | 156.4 | -180 | -132.3 | -2.2 | 109.7 | | |
| 122 | Q | 45.8 | Very low | 43.1 | Very low | 175 Ų | 175 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | trans | -65.8 | 166 | 174.1 | -66.5 | 174.1 | -60.4 | 0 | 0 | 111.3 | | |
| 123 | E | 37.3 | Very low | 41.5 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | 84.8 | 121.9 | 170.6 | -49.9 | -178.1 | -176.1 | 0 | 0 | 113.5 | | |
| 124 | T | 32 | Very low | 40.1 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | cis | -149.5 | 146.6 | 25 | 48.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 125 | S | 46.8 | Very low | 38.6 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | | | trans | -37 | 130.4 | 163.7 | 49.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 126 | A | 32.7 | Very low | 38.1 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | | | trans | -147.9 | 96.5 | 139.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 127 | T | 33.6 | Very low | 38 | Very low | 126 Ų | 126 | 148.3 Ų | 148.3 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -31.2 | 133.9 | 157.1 | 42.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 128 | K | 35 | Very low | 38 | Very low | 202 Ų | 202 | 146.7 Ų | 146.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | | -175.4 | 105.2 | 124.7 | -95.2 | 160.5 | -169.2 | -170 | 0 | 110.2 | | |
| 129 | T | 35 | Very low | 38.6 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -68.5 | 129.3 | 155.4 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | | |
| 130 | S | 34.2 | Very low | 38.9 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 179.4 | 115.1 | 137.7 | 54.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 131 | E | 36.6 | Very low | 39.7 | Very low | 192 Ų | 192 | 147.6 Ų | 147.6 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | | | trans | -2.9 | 124 | 134.3 | -172.6 | 176.3 | -169.6 | 0 | 0 | 116.7 | | |
| 132 | S | 28.3 | Very low | 40.8 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | | | trans | -172.6 | 126.2 | 138.2 | 60.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 133 | V | 39.2 | Very low | 41.2 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | | | trans | -63.4 | 157.7 | 164.4 | 178.2 | 0 | 0 | 0 | 0 | 110 | | |
| 134 | E | 38.8 | Very low | 41.9 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | | | trans | 87.1 | 108.9 | 168.5 | -46 | -162.9 | 162.8 | 0 | 0 | 120.4 | | |
| 135 | K | 34.4 | Very low | 43.1 | Very low | 180 Ų | 180 | 131.6 Ų | 131.6 | 78% | 0.783 | 72% | 0.715 | S | S | * | * | | | | 174.2 | 114.4 | 107.7 | -98.2 | 177.3 | 176.3 | 175.1 | 0 | 112.8 | | |
| 136 | P | 42.6 | Very low | 43.6 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | | | trans | -88.3 | 3.9 | 172.2 | 32.2 | -31.4 | 0 | 0 | 0 | 115.2 | | |
| 137 | E | 46.6 | Very low | 45 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 53% | 0.528 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -81.1 | -18.8 | -166.2 | -66 | -158.5 | 173.2 | 0 | 0 | 117.2 | K141 | E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 IonicContact OE2-NZ 3.63Å |
| 138 | E | 48.8 | Very low | 46.5 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -80.6 | -28.7 | -177.3 | -83.1 | -171.2 | 150.9 | 0 | 0 | 113.4 | | |
| 139 | I | 51.3 | Low | 47.8 | Very low | 132 Ų | 132 | 129 Ų | 129 | 68% | 0.677 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.9 | -33.6 | -176.9 | -59.3 | 173.9 | 0 | 0 | 0 | 110.9 | L143 | I139-L143 HydrophobicContact CG2-CD1 4.32Å; I139-L143 PolarHBondContact O-N 3.23Å |
| 140 | E | 51.6 | Low | 49.2 | Very low | 148 Ų | 148 | 130.4 Ų | 130.4 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.3 | -35.6 | 177.5 | -75.1 | -159.4 | 138.5 | 0 | 0 | 113.3 | G142 L143 H144 | E140-G142 PolarHBondContact O-N 2.98Å; E140-L143 PolarHBondContact O-N 3.16Å; E140-H144 PolarHBondContact O-N 3.14Å; E140-H144 VanDerWaalsContact O-N 3.08Å |
| 141 | K | 52.8 | Low | 50.8 | Low | 131 Ų | 131 | 133.2 Ų | 133.2 | 57% | 0.57 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -64.9 | -41.3 | -179.6 | -68.3 | 173.6 | -171.1 | 170 | 0 | 111.6 | E137 L143 H144 E145 | E137-K141 WeakPolarHBondContact O-CG 3.44Å; E137-K141 IonicContact OE2-NZ 3.63Å; K141-L143 PolarHBondContact O-N 3.44Å; K141-H144 PolarHBondContact O-N 3.08Å; K141-E145 PolarHBondContact O-N 3.18Å |
| 142 | G | 53.1 | Low | 52 | Low | 47 Ų | 47 | 130.6 Ų | 130.6 | 49% | 0.485 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.4 | -33.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | E140 S146 | E140-G142 PolarHBondContact O-N 2.98Å; G142-S146 PolarHBondContact O-N 3.48Å; G142-S146 PolarHBondContact O-OG 3.41Å |
| 143 | L | 55.4 | Low | 53.8 | Low | 98 Ų | 98 | 133.4 Ų | 133.4 | 51% | 0.513 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -74.4 | -33.7 | 176.8 | -81.6 | 162.3 | 0 | 0 | 0 | 112.7 | I139 E140 K141 S146 K147 | I139-L143 HydrophobicContact CG2-CD1 4.32Å; I139-L143 PolarHBondContact O-N 3.23Å; E140-L143 PolarHBondContact O-N 3.16Å; K141-L143 PolarHBondContact O-N 3.44Å; L143-S146 PolarHBondContact O-OG 3.25Å; L143-S146 VanDerWaalsContact O-OG 3.08Å; L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.42Å |
| 144 | H | 51.3 | Low | 55.3 | Low | 139 Ų | 139 | 134.9 Ų | 134.9 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.7 | -38.1 | 178.1 | -170.4 | -111.6 | 0 | 0 | 0 | 112.1 | E140 K141 K147 K148 | E140-H144 PolarHBondContact O-N 3.14Å; E140-H144 VanDerWaalsContact O-N 3.08Å; K141-H144 PolarHBondContact O-N 3.08Å; H144-K147 PolarHBondContact O-N 3.05Å; H144-K148 WeakPolarHBondContact O-CB 3.4Å; H144-K148 PolarHBondContact O-N 3.48Å |
| 145 | E | 56.7 | Low | 56.6 | Low | 106 Ų | 106 | 132.1 Ų | 132.1 | 50% | 0.495 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -72.9 | -37.3 | -178.6 | -160.2 | 174.1 | 162.8 | 0 | 0 | 113.1 | K141 K148 K149 | K141-E145 PolarHBondContact O-N 3.18Å; E145-K148 PolarHBondContact O-N 3.36Å; E145-K149 PolarHBondContact O-N 3.02Å; E145-K149 IonicContact OE1-NZ 3.4Å; E145-K149 PolarHBondContact OE1-NZ 3.19Å |
| 146 | S | 57.4 | Low | 58.4 | Low | 64 Ų | 64 | 131.8 Ų | 131.8 | 45% | 0.448 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.3 | -37.2 | 173.9 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | G142 L143 K150 | G142-S146 PolarHBondContact O-N 3.48Å; G142-S146 PolarHBondContact O-OG 3.41Å; L143-S146 PolarHBondContact O-OG 3.25Å; L143-S146 VanDerWaalsContact O-OG 3.08Å; S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.45Å; S146-K150 VanDerWaalsContact O-N 3.08Å |
| 147 | K | 63 | Low | 59.8 | Low | 146 Ų | 146 | 134.9 Ų | 134.9 | 64% | 0.635 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 171.4 | -76.6 | 176.3 | -178.4 | 173.4 | 0 | 112.1 | L143 H144 K150 K151 | L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.42Å; H144-K147 PolarHBondContact O-N 3.05Å; K147-K150 PolarHBondContact O-N 3.02Å; K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 2.96Å |
| 148 | K | 64.1 | Low | 60.8 | Low | 144 Ų | 144 | 135.7 Ų | 135.7 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.8 | -47.6 | 176.5 | -167 | 176.1 | 178.8 | -177.4 | 0 | 111.5 | H144 E145 K150 K151 E152 | H144-K148 WeakPolarHBondContact O-CB 3.4Å; H144-K148 PolarHBondContact O-N 3.48Å; E145-K148 PolarHBondContact O-N 3.36Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.4Å; K148-K151 PolarHBondContact O-N 3.04Å; K148-E152 PolarHBondContact O-N 3.09Å |
| 149 | K | 62.3 | Low | 62.1 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 57% | 0.57 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62.4 | -36.4 | 176.1 | -74.1 | 177.7 | -178.9 | 167.9 | 0 | 112.8 | E145 K153 | E145-K149 PolarHBondContact O-N 3.02Å; E145-K149 IonicContact OE1-NZ 3.4Å; E145-K149 PolarHBondContact OE1-NZ 3.19Å; K149-K153 PolarHBondContact O-N 3.47Å |
| 150 | K | 64.5 | Low | 63.2 | Low | 169 Ų | 169 | 136.5 Ų | 136.5 | 74% | 0.735 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -69.8 | -39.9 | 176.1 | -169.8 | 175.9 | -178.9 | 178.3 | 0 | 112.8 | S146 K147 K148 K154 | S146-K150 WeakPolarHBondContact O-CB 3.48Å; S146-K150 PolarHBondContact O-N 3.45Å; S146-K150 VanDerWaalsContact O-N 3.08Å; K147-K150 PolarHBondContact O-N 3.02Å; K148-K150 VanDerWaalsContact C-N 3.35Å; K148-K150 PolarHBondContact O-N 3.4Å; K150-K154 PolarHBondContact O-N 3.45Å |
| 151 | K | 68.2 | Low | 64.2 | Low | 170 Ų | 170 | 137.4 Ų | 137.4 | 74% | 0.739 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 177.2 | -170.5 | 174.2 | -179.9 | 179.3 | 0 | 111.5 | K147 K148 K154 N155 | K147-K151 WeakPolarHBondContact O-CB 3.29Å; K147-K151 PolarHBondContact O-N 2.96Å; K148-K151 PolarHBondContact O-N 3.04Å; K151-K154 PolarHBondContact O-N 3.48Å; K151-N155 PolarHBondContact O-N 3.35Å |
| 152 | E | 61.9 | Low | 65.2 | Low | 137 Ų | 137 | 139.2 Ų | 139.2 | 64% | 0.64 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.9 | -44.2 | 178.2 | -164.9 | -177.6 | 161.5 | 0 | 0 | 112.7 | K148 K154 N155 K156 | K148-E152 PolarHBondContact O-N 3.09Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.83Å; E152-N155 PolarHBondContact O-N 2.99Å; E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 VanDerWaalsContact O-N 3.12Å |
| 153 | K | 65.4 | Low | 66.1 | Low | 173 Ų | 173 | 141.9 Ų | 141.9 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62.8 | -32.2 | 176.8 | -164 | 171.3 | -176.6 | 174.4 | 0 | 112.6 | K149 K157 | K149-K153 PolarHBondContact O-N 3.47Å; K153-K157 PolarHBondContact O-N 3.19Å |
| 154 | K | 69.9 | Low | 66.8 | Low | 159 Ų | 159 | 143.5 Ų | 143.5 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.5 | -43.3 | 175.2 | -168.5 | 178.5 | 178.2 | -175.7 | 0 | 111.7 | K150 K151 E152 K157 E158 | K150-K154 PolarHBondContact O-N 3.45Å; K151-K154 PolarHBondContact O-N 3.48Å; E152-K154 VanDerWaalsContact C-N 3.27Å; E152-K154 PolarHBondContact O-N 2.83Å; K154-K157 PolarHBondContact O-N 3.09Å; K154-E158 PolarHBondContact O-N 2.73Å |
| 155 | N | 67.2 | Low | 67.7 | Low | 110 Ų | 110 | 143.8 Ų | 143.8 | 59% | 0.588 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -40 | -179 | -157.6 | -23 | 0 | 0 | 0 | 112.1 | K151 E152 K157 E158 K159 | K151-N155 PolarHBondContact O-N 3.35Å; E152-N155 PolarHBondContact O-N 2.99Å; N155-K157 VanDerWaalsContact C-N 3.34Å; N155-K157 PolarHBondContact O-N 3.33Å; N155-E158 PolarHBondContact O-N 2.86Å; N155-K159 PolarHBondContact O-N 2.88Å |
| 156 | K | 72.3 | Confident | 68.4 | Low | 173 Ų | 173 | 144.9 Ų | 144.9 | 75% | 0.752 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -61.9 | -37.9 | 175.3 | -168.4 | 170.7 | -176.5 | 172.3 | 0 | 112.9 | E152 K160 | E152-K156 PolarHBondContact O-N 3.48Å; E152-K156 VanDerWaalsContact O-N 3.12Å; K156-K160 PolarHBondContact O-N 3.16Å |
| 157 | K | 71.8 | Confident | 68.8 | Low | 170 Ų | 170 | 147.9 Ų | 147.9 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -67.9 | -36.3 | 176.8 | -171.1 | 174.4 | -178.5 | 177.5 | 0 | 112 | K153 K154 N155 K161 | K153-K157 PolarHBondContact O-N 3.19Å; K154-K157 PolarHBondContact O-N 3.09Å; N155-K157 VanDerWaalsContact C-N 3.34Å; N155-K157 PolarHBondContact O-N 3.33Å; K157-K161 PolarHBondContact O-N 3.08Å |
| 158 | E | 68.8 | Low | 68.6 | Low | 129 Ų | 129 | 148.5 Ų | 148.5 | 60% | 0.603 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.8 | -43.1 | 178.9 | -166.4 | 172.8 | 170.1 | 0 | 0 | 112.3 | K154 N155 K160 K161 K162 | K154-E158 PolarHBondContact O-N 2.73Å; N155-E158 PolarHBondContact O-N 2.86Å; E158-K160 VanDerWaalsContact C-N 3.34Å; E158-K160 PolarHBondContact O-N 2.99Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 VanDerWaalsContact O-N 3.12Å; E158-K162 PolarHBondContact O-N 3.38Å |
| 159 | K | 75.2 | Confident | 68.4 | Low | 157 Ų | 157 | 148 Ų | 148 | 68% | 0.683 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -58.1 | -43.7 | 174.9 | -167.8 | 173.5 | 179.9 | 178.3 | 0 | 112 | N155 K161 K162 E163 | N155-K159 PolarHBondContact O-N 2.88Å; K159-K161 VanDerWaalsContact C-N 3.34Å; K159-K161 PolarHBondContact O-N 2.98Å; K159-K162 PolarHBondContact O-N 3.38Å; K159-E163 PolarHBondContact O-N 3.21Å |
| 160 | K | 73.3 | Confident | 68.2 | Low | 166 Ų | 166 | 150 Ų | 150 | 72% | 0.722 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.7 | -34 | 176.7 | -166 | 171.1 | -176.5 | 173.6 | 0 | 112.7 | K156 E158 K164 | K156-K160 PolarHBondContact O-N 3.16Å; E158-K160 VanDerWaalsContact C-N 3.34Å; E158-K160 PolarHBondContact O-N 2.99Å; K160-K164 PolarHBondContact O-N 3.25Å; K160-K164 VanDerWaalsContact O-N 3.16Å |
| 161 | K | 74.4 | Confident | 67.7 | Low | 166 Ų | 166 | 151.4 Ų | 151.4 | 72% | 0.722 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -71.6 | -39.8 | 176 | -168 | 179.6 | 178.7 | -174.9 | 0 | 111.7 | K157 E158 K159 K164 K165 | K157-K161 PolarHBondContact O-N 3.08Å; E158-K161 PolarHBondContact O-N 3.43Å; E158-K161 VanDerWaalsContact O-N 3.12Å; K159-K161 VanDerWaalsContact C-N 3.34Å; K159-K161 PolarHBondContact O-N 2.98Å; K161-K164 PolarHBondContact O-N 3.49Å; K161-K165 PolarHBondContact O-N 2.88Å |
| 162 | K | 73.9 | Confident | 66.9 | Low | 170 Ų | 170 | 148.5 Ų | 148.5 | 74% | 0.739 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 176.5 | -166 | 173.7 | -178.1 | 177 | 0 | 111.6 | E158 K159 K165 K166 | E158-K162 PolarHBondContact O-N 3.38Å; K159-K162 PolarHBondContact O-N 3.38Å; K162-K165 PolarHBondContact O-N 2.97Å; K162-K166 PolarHBondContact O-N 3.42Å |
| 163 | E | 70.9 | Confident | 66.2 | Low | 103 Ų | 103 | 146.4 Ų | 146.4 | 48% | 0.481 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -65.3 | -44.5 | 176.2 | -162.7 | -162.3 | 142.6 | 0 | 0 | 112.3 | K159 K165 K166 K167 | K159-E163 PolarHBondContact O-N 3.21Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.44Å; E163-K166 PolarHBondContact O-N 3.41Å; E163-K166 VanDerWaalsContact O-N 3.14Å; E163-K167 PolarHBondContact O-N 2.93Å; E163-K167 IonicContact OE1-NZ 2.79Å; E163-K167 PolarHBondContact OE1-NZ 3.34Å |
| 164 | K | 69.6 | Low | 65.4 | Low | 131 Ų | 131 | 142.9 Ų | 142.9 | 57% | 0.57 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.6 | -34.7 | 176.2 | -166.9 | 172.8 | -177.4 | 174.1 | 0 | 112.1 | K160 K161 R168 | K160-K164 PolarHBondContact O-N 3.25Å; K160-K164 VanDerWaalsContact O-N 3.16Å; K161-K164 PolarHBondContact O-N 3.49Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.03Å |
| 165 | K | 70.9 | Confident | 64.1 | Low | 146 Ų | 146 | 139.1 Ų | 139.1 | 64% | 0.635 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.5 | -39.3 | 174 | -166.6 | 177.2 | -179 | -178.2 | 0 | 111.8 | K161 K162 E163 R168 K169 | K161-K165 PolarHBondContact O-N 2.88Å; K162-K165 PolarHBondContact O-N 2.97Å; E163-K165 VanDerWaalsContact C-N 3.28Å; E163-K165 PolarHBondContact O-N 3.44Å; K165-R168 PolarHBondContact O-N 2.96Å; K165-K169 PolarHBondContact O-N 3.17Å; K165-K169 VanDerWaalsContact O-N 3.11Å |
| 166 | K | 70.8 | Confident | 62.7 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 56% | 0.557 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.5 | -40.5 | 176.5 | -166.8 | 176.6 | -179.1 | 178.6 | 0 | 112.2 | K162 E163 R168 K169 R170 | K162-K166 PolarHBondContact O-N 3.42Å; E163-K166 PolarHBondContact O-N 3.41Å; E163-K166 VanDerWaalsContact O-N 3.14Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.38Å; K166-K169 PolarHBondContact O-N 3.41Å; K166-R170 PolarHBondContact O-N 2.92Å; K166-R170 VanDerWaalsContact O-N 3.16Å |
| 167 | K | 66.4 | Low | 61.2 | Low | 128 Ų | 128 | 138.6 Ų | 138.6 | 56% | 0.557 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -64.3 | -34.5 | 174.6 | -80.9 | 177.7 | 170.1 | 157.1 | 0 | 112.9 | E163 R171 | E163-K167 PolarHBondContact O-N 2.93Å; E163-K167 IonicContact OE1-NZ 2.79Å; E163-K167 PolarHBondContact OE1-NZ 3.34Å; K167-R171 PolarHBondContact O-N 3.01Å |
| 168 | R | 59.2 | Low | 59.5 | Low | 159 Ų | 159 | 135.8 Ų | 135.8 | 60% | 0.6 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -68.6 | -47.6 | 174.3 | -75.8 | 179.8 | 173.6 | -175.4 | -5.9 | 112.2 | K164 K165 K166 R170 R171 D172 | K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.03Å; K165-R168 PolarHBondContact O-N 2.96Å; K166-R168 VanDerWaalsContact C-N 3.34Å; K166-R168 PolarHBondContact O-N 3.38Å; R168-R170 VanDerWaalsContact C-N 3.26Å; R168-R170 PolarHBondContact O-N 3.47Å; R168-R171 PolarHBondContact O-N 3.26Å; R168-D172 PolarHBondContact O-N 2.99Å; R168-D172 VanDerWaalsContact O-N 3.08Å |
| 169 | K | 59.1 | Low | 58 | Low | 133 Ų | 133 | 136.3 Ų | 136.3 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -56.8 | -38 | 176.4 | -74.6 | -162.8 | 170 | -159 | 0 | 113.2 | K165 K166 R171 D172 S173 | K165-K169 PolarHBondContact O-N 3.17Å; K165-K169 VanDerWaalsContact O-N 3.11Å; K166-K169 PolarHBondContact O-N 3.41Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 3.31Å; K169-D172 PolarHBondContact O-N 3.35Å; K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.96Å; K169-S173 PolarHBondContact O-OG 2.95Å |
| 170 | R | 58.8 | Low | 56.1 | Low | 174 Ų | 174 | 134.6 Ų | 134.6 | 66% | 0.657 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67.6 | -25.1 | 176.4 | -75.8 | -176.4 | 168.6 | 169.3 | -7 | 114.5 | K166 R168 | K166-R170 PolarHBondContact O-N 2.92Å; K166-R170 VanDerWaalsContact O-N 3.16Å; R168-R170 VanDerWaalsContact C-N 3.26Å; R168-R170 PolarHBondContact O-N 3.47Å |
| 171 | R | 54.7 | Low | 54.2 | Low | 197 Ų | 197 | 131.4 Ų | 131.4 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -84.8 | -31.1 | 176.1 | -73.3 | -177.4 | 178.8 | 179.8 | -2.9 | 112.4 | K167 R168 K169 S174 | K167-R171 PolarHBondContact O-N 3.01Å; R168-R171 PolarHBondContact O-N 3.26Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 3.31Å; R171-S174 PolarHBondContact O-OG 3.49Å; R171-S174 VanDerWaalsContact O-OG 3.05Å |
| 172 | D | 49.7 | Very low | 52.4 | Low | 110 Ų | 110 | 130.4 Ų | 130.4 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.6 | -33.9 | 175.4 | -65.3 | -39.6 | 0 | 0 | 0 | 111.3 | R168 K169 S174 A175 S176 | R168-D172 PolarHBondContact O-N 2.99Å; R168-D172 VanDerWaalsContact O-N 3.08Å; K169-D172 PolarHBondContact O-N 3.35Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 3.44Å; D172-A175 PolarHBondContact O-N 2.95Å; D172-S176 PolarHBondContact O-OG 3.26Å |
| 173 | S | 47.9 | Very low | 50.7 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -12.9 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 114.8 | K169 | K169-S173 WeakPolarHBondContact O-CB 3.42Å; K169-S173 PolarHBondContact O-N 2.96Å; K169-S173 PolarHBondContact O-OG 2.95Å |
| 174 | S | 47.9 | Very low | 49.2 | Very low | 99 Ų | 99 | 130.6 Ų | 130.6 | 69% | 0.692 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 0.7 | 173.2 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | R171 D172 | R171-S174 PolarHBondContact O-OG 3.49Å; R171-S174 VanDerWaalsContact O-OG 3.05Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 3.44Å |
| 175 | A | 43.7 | Very low | 47.8 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -116.6 | 6.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113 | D172 | D172-A175 PolarHBondContact O-N 2.95Š|
| 176 | S | 37.8 | Very low | 46.6 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 58% | 0.58 | 71% | 0.709 | S | S | * | * | | | trans | -138.7 | 58.4 | -177.2 | 69.6 | 0 | 0 | 0 | 0 | 112.1 | D172 | D172-S176 PolarHBondContact O-OG 3.26Š|
| 177 | E | 40.1 | Very low | 45.5 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 72% | 0.724 | S | S | * | * | | | trans | -140.7 | 75.7 | 155.1 | -76.2 | -158 | 159.4 | 0 | 0 | 108.6 | | |
| 178 | S | 37.6 | Very low | 44.6 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | | | trans | -167.1 | 58.2 | 161.3 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | | |
| 179 | T | 36.3 | Very low | 43.9 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -150.4 | 123.5 | 151.6 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 180 | S | 34.6 | Very low | 43 | Very low | 120 Ų | 120 | 150 Ų | 150 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | 85.3 | 94.8 | 164.5 | -162.2 | 0 | 0 | 0 | 0 | 116.7 | | |
| 181 | S | 34 | Very low | 42.2 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | | -174.9 | 144.6 | 101.7 | -143.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 182 | D | 37 | Very low | 42.2 | Very low | 145 Ų | 145 | 144.6 Ų | 144.6 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | 86 | 116.4 | 152.5 | -70.2 | -73.1 | 0 | 0 | 0 | 121.8 | | |
| 183 | D | 38.3 | Very low | 42.3 | Very low | 144 Ų | 144 | 147.3 Ų | 147.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | trans | -54 | 160.9 | 162 | -143.1 | -46.1 | 0 | 0 | 0 | 112.8 | | |
| 184 | N | 39.8 | Very low | 42.3 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | | | trans | 68.1 | 103.9 | 170.4 | -94.8 | -39 | 0 | 0 | 0 | 119.3 | | |
| 185 | R | 40 | Very low | 42.1 | Very low | 242 Ų | 242 | 155.8 Ų | 155.8 | 91% | 0.913 | 78% | 0.776 | S | S | * | * | | | | -174.6 | 104 | 122.8 | -95 | 154.2 | -156.6 | -150.7 | 8.7 | 112.7 | | |
| 186 | K | 44.1 | Very low | 42.2 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 81% | 0.809 | 78% | 0.781 | S | S | * | * | | | trans | 34.3 | 121.7 | 137.2 | -62.4 | -171 | 178.7 | 179 | 0 | 120.3 | | |
| 187 | R | 48.6 | Very low | 43 | Very low | 228 Ų | 228 | 159.9 Ų | 159.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | | | trans | 46.7 | 110.8 | 133.8 | -64.5 | -179 | -178.6 | -175.7 | -0.4 | 118.3 | | |
| 188 | H | 48.3 | Very low | 42.9 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -163.7 | 98.8 | 133.1 | -96.1 | -77.3 | 0 | 0 | 0 | 107.2 | | |
| 189 | R | 42.8 | Very low | 43 | Very low | 232 Ų | 232 | 159.3 Ų | 159.3 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | | | | 62.7 | 111.1 | 99.5 | -80.4 | -158.2 | -179 | -168.7 | 2.6 | 115.1 | | |
| 190 | K | 41 | Very low | 43.5 | Very low | 160 Ų | 160 | 160 Ų | 160 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | | | | 82.6 | 116.5 | 113.5 | -157.2 | 66.5 | 167.4 | 145.1 | 0 | 117.9 | | |
| 191 | D | 42.2 | Very low | 43.9 | Very low | 93 Ų | 93 | 159.5 Ų | 159.5 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | | | trans | 60.7 | 135.5 | 150.9 | -55.1 | -19.9 | 0 | 0 | 0 | 116.4 | | |
| 192 | H | 53.9 | Low | 44.4 | Very low | 165 Ų | 165 | 163.3 Ų | 163.3 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | | | | -155.8 | 129.9 | 65.9 | -71.1 | -81.9 | 0 | 0 | 0 | 112.4 | | |
| 193 | H | 52.9 | Low | 44.3 | Very low | 166 Ų | 166 | 161.8 Ų | 161.8 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | -57.8 | 141.3 | 151.8 | -61.8 | -81.8 | 0 | 0 | 0 | 109.9 | | |
| 194 | H | 46.7 | Very low | 44.5 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -156.3 | 142.5 | 140.1 | -76.2 | -51.7 | 0 | 0 | 0 | 111 | | |
| 195 | H | 44.8 | Very low | 44.5 | Very low | 188 Ų | 188 | 157.4 Ų | 157.4 | 87% | 0.87 | 78% | 0.783 | S | S | * | * | | | trans | -75 | 155.3 | -166.3 | -80.7 | -70.6 | 0 | 0 | 0 | 116 | | |
| 196 | N | 44.5 | Very low | 44.4 | Very low | 144 Ų | 144 | 157.1 Ų | 157.1 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | | | trans | -34 | 149.6 | 150.5 | -159.6 | 19.9 | 0 | 0 | 0 | 113.3 | | |
| 197 | P | 56.4 | Low | 44.5 | Very low | 106 Ų | 106 | 154.1 Ų | 154.1 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | | | | -156.1 | -173.6 | 87 | 37.5 | -16.1 | 0 | 0 | 0 | 114 | | |
| 198 | S | 36.4 | Very low | 44.1 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | | | trans | 107.3 | 120.1 | 159.1 | -171.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 199 | Y | 40.4 | Very low | 43.6 | Very low | 188 Ų | 188 | 149.5 Ų | 149.5 | 74% | 0.737 | 78% | 0.775 | S | S | * | * | | | cis | -179 | 156.7 | -2.9 | -122.4 | -72 | 0 | 0 | 0 | 105.8 | | |
| 200 | H | 46.7 | Very low | 43.6 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | | | trans | 76.6 | 79.4 | 157.5 | -64.6 | 103.8 | 0 | 0 | 0 | 119.5 | | |
| 201 | S | 42.1 | Very low | 43.4 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | | -1.8 | 130.9 | 118 | -44.1 | 0 | 0 | 0 | 0 | 117.3 | | |
| 202 | Q | 45.2 | Very low | 43.4 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | | 179.1 | 101.5 | 116.1 | -94.2 | -172.9 | 4.4 | 0 | 0 | 107.7 | | |
| 203 | S | 35.7 | Very low | 42.7 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | | | | 62.7 | 110.4 | 92.4 | 73.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 204 | G | 41 | Very low | 41.8 | Very low | 81 Ų | 81 | 144.5 Ų | 144.5 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | | | trans | -171.7 | 100.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 205 | A | 39.9 | Very low | 41.2 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -65.3 | 155.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 206 | R | 39.5 | Very low | 40.8 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | -50.9 | 161.8 | 160.6 | -73.7 | -179.7 | 164.9 | -158.7 | -4.1 | 111.2 | | |
| 207 | P | 46.2 | Very low | 40.5 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | cis | -152.1 | 178.1 | 44.6 | 38.4 | -14.4 | 0 | 0 | 0 | 118.7 | | |
| 208 | H | 40.5 | Very low | 39.6 | Very low | 169 Ų | 169 | 138.1 Ų | 138.1 | 78% | 0.782 | 78% | 0.778 | S | S | * | * | | | trans | -53.5 | 131.8 | 167.5 | -164.9 | -75.3 | 0 | 0 | 0 | 111.7 | S210 | H208-S210 PolarHBondContact CE1-OG 2.9Å; H208-S210 VanDerWaalsContact CE1-OG 3.31Å; H208-S210 PolarHBondContact ND1-OG 3.42Å |
| 209 | D | 36.7 | Very low | 39.7 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -114 | 127.1 | 172.4 | -170.5 | 20.6 | 0 | 0 | 0 | 109.9 | | |
| 210 | S | 42.6 | Very low | 39.5 | Very low | 57 Ų | 57 | 140.8 Ų | 140.8 | 40% | 0.399 | 79% | 0.786 | S | S | . | * | | | trans | -131.4 | 150.6 | 173.4 | -66.2 | 0 | 0 | 0 | 0 | 106.3 | H208 | H208-S210 PolarHBondContact CE1-OG 2.9Å; H208-S210 VanDerWaalsContact CE1-OG 3.31Å; H208-S210 PolarHBondContact ND1-OG 3.42Å |
| 211 | H | 36.8 | Very low | 38.9 | Very low | 168 Ų | 168 | 141.4 Ų | 141.4 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | 87.4 | 143.2 | 169.6 | -41.5 | -55.2 | 0 | 0 | 0 | 114.1 | | |
| 212 | S | 42.3 | Very low | 39.1 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | cis | 178.5 | 150.1 | -8.7 | -90 | 0 | 0 | 0 | 0 | 105.3 | | |
| 213 | R | 38.9 | Very low | 38.7 | Very low | 219 Ų | 219 | 138.4 Ų | 138.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | | | trans | -164.7 | 103.7 | 142.4 | -107.4 | -167.1 | 148.2 | -174.7 | -0.9 | 108.8 | | |
| 214 | E | 34.8 | Very low | 38.9 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | | | | 90.6 | 125.1 | 96.1 | -106.5 | 176 | 153.1 | 0 | 0 | 110.4 | | |
| 215 | G | 33.2 | Very low | 39.1 | Very low | 73 Ų | 73 | 144.1 Ų | 144.1 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | | | cis | -178.4 | -167.2 | 9.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 216 | A | 37.7 | Very low | 39.1 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | | | trans | 88.7 | 87.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 217 | K | 38.1 | Very low | 39.1 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | | 69.2 | 99.2 | 81.1 | -61.6 | -96.4 | -174.9 | 174.2 | 0 | 113.4 | | |
| 218 | A | 37.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 148.1 Ų | 148.1 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | | | trans | -161.7 | 149.6 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 219 | E | 38.3 | Very low | 38.7 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | trans | -82.3 | 176.4 | -153.7 | -60.9 | -173.1 | 136.4 | 0 | 0 | 116.6 | | |
| 220 | Q | 35.6 | Very low | 38.8 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | trans | 95.9 | 108.8 | 154.8 | -73.5 | 166.2 | 22.7 | 0 | 0 | 118.5 | | |
| 221 | Q | 33.9 | Very low | 38.6 | Very low | 168 Ų | 168 | 158.3 Ų | 158.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -118.5 | 160.8 | 154.6 | -73 | -66.5 | -32.7 | 0 | 0 | 105.4 | | |
| 222 | P | 47.9 | Very low | 38.7 | Very low | 115 Ų | 115 | 159.1 Ų | 159.1 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | | | cis | -146.3 | 158.1 | 33.8 | 38 | -17.1 | 0 | 0 | 0 | 117.1 | | |
| 223 | S | 36.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 161.4 Ų | 161.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | | 169.8 | 125.8 | 120.5 | 45.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 224 | R | 40.1 | Very low | 38.9 | Very low | 180 Ų | 180 | 157.7 Ų | 157.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | | | trans | -104.8 | 165.1 | 158 | -63.6 | -176.5 | 163.2 | -174.8 | 4.2 | 107.4 | | |
| 225 | P | 45.8 | Very low | 39.1 | Very low | 133 Ų | 133 | 156.9 Ų | 156.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | | | | -134.4 | 161.9 | 78.9 | 19.9 | 2 | 0 | 0 | 0 | 114.4 | | |
| 226 | R | 39.9 | Very low | 39.5 | Very low | 153 Ų | 153 | 159 Ų | 159 | 58% | 0.577 | 80% | 0.797 | S | S | * | * | | | trans | -98.9 | 164.7 | -178.7 | -71.3 | -171.4 | 173.4 | -104.1 | 1.7 | 112.4 | | |
| 227 | H | 38.2 | Very low | 39.7 | Very low | 158 Ų | 158 | 159.2 Ų | 159.2 | 73% | 0.731 | 79% | 0.793 | S | S | * | * | | | trans | 106.6 | 120.4 | 137.6 | -62.2 | -63.9 | 0 | 0 | 0 | 120.1 | | |
| 228 | R | 39.8 | Very low | 39.9 | Very low | 237 Ų | 237 | 157 Ų | 157 | 89% | 0.894 | 79% | 0.79 | S | S | * | * | | | | 172.4 | 115.8 | 119.7 | -101.5 | 179 | 169 | 178.4 | -2.7 | 108.6 | | |
| 229 | R | 39.8 | Very low | 40 | Very low | 216 Ų | 216 | 155.4 Ų | 155.4 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | | 64.9 | 127.4 | 80.3 | -76.6 | -166.8 | -179.7 | -119.2 | 2.7 | 115.9 | | |
| 230 | Q | 37.8 | Very low | 39.9 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 78.1 | 131 | 147.9 | -125.6 | 108.9 | 17.8 | 0 | 0 | 115.5 | | |
| 231 | R | 39.3 | Very low | 40.1 | Very low | 218 Ų | 218 | 148.3 Ų | 148.3 | 82% | 0.823 | 78% | 0.783 | S | S | * | * | | | | -160.4 | 160.6 | 52.2 | -75.5 | 163.9 | -179.8 | -103.9 | -1.7 | 112 | | |
| 232 | H | 37.3 | Very low | 40.9 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | | | trans | -77.2 | 132.9 | 162.1 | -67.2 | -87.9 | 0 | 0 | 0 | 109 | | |
| 233 | D | 42.3 | Very low | 40.4 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -112.9 | 110 | 163.8 | -66.5 | -42 | 0 | 0 | 0 | 108.4 | D235 | D233-D235 PolarHBondContact O-N 3.24Š|
| 234 | T | 44.1 | Very low | 40.7 | Very low | 142 Ų | 142 | 150 Ų | 150 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -69.2 | 107.3 | 155 | 44.9 | 0 | 0 | 0 | 0 | 107 | | |
| 235 | D | 39.8 | Very low | 40.8 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | -104.2 | 109.8 | 160 | -164.2 | 30.4 | 0 | 0 | 0 | 109.3 | D233 | D233-D235 PolarHBondContact O-N 3.24Š|
| 236 | S | 39.7 | Very low | 40.7 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -87.2 | 103 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 106 | | |
| 237 | S | 42.7 | Very low | 40.8 | Very low | 102 Ų | 102 | 145.4 Ų | 145.4 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | | | trans | -129 | 106.1 | 165 | -162.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 238 | D | 43.1 | Very low | 41 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -52.3 | 126.4 | 161.8 | -167.3 | 7.9 | 0 | 0 | 0 | 109.7 | | |
| 239 | G | 39.2 | Very low | 41.1 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -162.7 | 58.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 240 | G | 35.7 | Very low | 41.5 | Very low | 66 Ų | 66 | 138 Ų | 138 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 66 | 94.1 | 144.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 241 | S | 38.8 | Very low | 42 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | | | trans | -73.8 | 138.4 | 150.6 | -65.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 242 | P | 50.9 | Low | 42.6 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -119.3 | 120.3 | 140 | 32.4 | -23 | 0 | 0 | 0 | 111.5 | | |
| 243 | A | 37 | Very low | 43 | Very low | 88 Ų | 88 | 134.6 Ų | 134.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 33.1 | 110.1 | 140 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 244 | R | 43.5 | Very low | 43.4 | Very low | 221 Ų | 221 | 133.6 Ų | 133.6 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | | 34.2 | 113.1 | 120.3 | -54.2 | 177.5 | 106.6 | -121.9 | 6.1 | 117.6 | | |
| 245 | S | 42.5 | Very low | 43.5 | Very low | 121 Ų | 121 | 131.9 Ų | 131.9 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | | | trans | -140.1 | 119.4 | 133.2 | 71.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 246 | N | 42.6 | Very low | 43.8 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -67.8 | 133.8 | 174.6 | -70 | -38.3 | 0 | 0 | 0 | 111.3 | | |
| 247 | S | 42.6 | Very low | 44.2 | Very low | 111 Ų | 111 | 127.4 Ų | 127.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -178.9 | 105.5 | 133.3 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 248 | A | 41.6 | Very low | 44.5 | Very low | 77 Ų | 77 | 129 Ų | 129 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | | | | 83.8 | 119.4 | 88.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 249 | F | 43.1 | Very low | 45 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | | | trans | 85.1 | 83 | 159.2 | -51.8 | -67.8 | 0 | 0 | 0 | 119.1 | K251 | F249-K251 PolarHBondContact O-N 2.99Š|
| 250 | H | 47.1 | Very low | 45.4 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -58.6 | 118.2 | 141.5 | -68.6 | -63.7 | 0 | 0 | 0 | 110.8 | | |
| 251 | K | 48.3 | Very low | 46.3 | Very low | 195 Ų | 195 | 137.6 Ų | 137.6 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -138.2 | 103.1 | 145.9 | -73.6 | -165.1 | -179.9 | 168.4 | 0 | 110.6 | F249 | F249-K251 PolarHBondContact O-N 2.99Š|
| 252 | K | 52.6 | Low | 46.9 | Very low | 203 Ų | 203 | 142.8 Ų | 142.8 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.3 | 159.4 | -68 | -174.6 | 174.9 | -174.6 | 0 | 109.5 | | |
| 253 | A | 45.1 | Very low | 47.1 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 162.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 254 | P | 51.1 | Low | 48.1 | Very low | 130 Ų | 130 | 153.9 Ų | 153.9 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 118.6 | 171.8 | 31.8 | -29.9 | 0 | 0 | 0 | 110.5 | | |
| 255 | A | 46.7 | Very low | 48.3 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89 | 120.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 256 | G | 46 | Very low | 49.2 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 156.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 257 | A | 47.6 | Very low | 49.9 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | | | trans | 55.5 | 95.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 258 | T | 49.3 | Very low | 50.3 | Low | 135 Ų | 135 | 153.6 Ų | 153.6 | 83% | 0.828 | 81% | 0.811 | S | S | * | * | | | trans | -114.5 | 109.4 | 137.7 | 53.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 259 | Q | 54.6 | Low | 50.6 | Low | 201 Ų | 201 | 155.5 Ų | 155.5 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | | | trans | -66.7 | 122.9 | 154.9 | -77 | 178 | -46.6 | 0 | 0 | 106.9 | | |
| 260 | S | 47.3 | Very low | 51.3 | Low | 102 Ų | 102 | 154 Ų | 154 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | | | trans | -142.4 | 102.3 | 159.5 | 65.6 | 0 | 0 | 0 | 0 | 109 | | |
| 261 | H | 53.7 | Low | 51.4 | Low | 179 Ų | 179 | 156.4 Ų | 156.4 | 83% | 0.829 | 84% | 0.84 | S | S | * | * | | | trans | -44.3 | 122.4 | 166.3 | -176.9 | 79.3 | 0 | 0 | 0 | 113 | | |
| 262 | R | 53 | Low | 51.5 | Low | 236 Ų | 236 | 154.5 Ų | 154.5 | 89% | 0.891 | 84% | 0.84 | S | S | * | * | | | trans | -148.2 | 112.6 | 153.2 | -73 | -163 | -179.2 | 124.5 | 2.4 | 111.5 | | |
| 263 | R | 53.6 | Low | 51.5 | Low | 219 Ų | 219 | 151.9 Ų | 151.9 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | | | trans | 30 | 114.9 | 146.5 | -75 | 179.9 | 165.8 | -175.4 | -5.9 | 118.7 | | |
| 264 | R | 58.1 | Low | 51.8 | Low | 223 Ų | 223 | 155.4 Ų | 155.4 | 84% | 0.842 | 84% | 0.843 | S | S | * | * | | | trans | -77 | 135.2 | 156.2 | -62.2 | 178.6 | 177.7 | -133.9 | 0.2 | 108.1 | | |
| 265 | H | 47.2 | Very low | 51.9 | Low | 167 Ų | 167 | 156.9 Ų | 156.9 | 77% | 0.773 | 84% | 0.843 | S | S | * | * | | | trans | -95.6 | 113.3 | 153.4 | -75.3 | -81.4 | 0 | 0 | 0 | 105.3 | | |
| 266 | D | 62.3 | Low | 52.2 | Low | 140 Ų | 140 | 160.1 Ų | 160.1 | 75% | 0.749 | 84% | 0.841 | S | S | * | * | | | trans | -79.3 | 118.3 | 164.4 | -62 | -46.2 | 0 | 0 | 0 | 106.5 | | |
| 267 | T | 56.5 | Low | 52.6 | Low | 129 Ų | 129 | 166.1 Ų | 166.1 | 79% | 0.791 | 85% | 0.849 | S | S | * | * | | | trans | -125.6 | 98.6 | 156 | 49.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 268 | D | 52.4 | Low | 53 | Low | 148 Ų | 148 | 170.9 Ų | 170.9 | 79% | 0.791 | 85% | 0.851 | S | S | * | * | | | trans | -65.6 | 132.8 | 163.1 | -153.8 | -3.3 | 0 | 0 | 0 | 108.2 | | |
| 269 | S | 47.3 | Very low | 53.3 | Low | 117 Ų | 117 | 173.7 Ų | 173.7 | 82% | 0.818 | 85% | 0.853 | S | S | * | * | | | trans | -160.4 | 81.7 | 168 | -74.9 | 0 | 0 | 0 | 0 | 107.8 | | |
| 270 | D | 57.4 | Low | 53.1 | Low | 159 Ų | 159 | 171.4 Ų | 171.4 | 85% | 0.85 | 85% | 0.846 | S | S | * | * | | | trans | -111.1 | 105.2 | 151.1 | -109.5 | -72.1 | 0 | 0 | 0 | 105.7 | | |
| 271 | D | 49.1 | Very low | 53.7 | Low | 238 Ų | 238 | 177.7 Ų | 177.7 | 100% | 1.273 | 86% | 0.858 | S | S | * | * | | | | 175.3 | 0 | 130 | -157.2 | 50.9 | 0 | 0 | 0 | 109.5 | | |