| 1 | M | 43.1 | Very low | 47 | Very low | 249 Ų | 249 | 140.1 Ų | 140.1 | 100% | 1.227 | 86% | 0.856 | S | S | * | * | | | | 0 | 145.8 | 0 | -77.4 | 163.1 | 152.7 | 0 | 0 | 108.2 | | |
| 2 | N | 43.5 | Very low | 46.3 | Very low | 159 Ų | 159 | 134.3 Ų | 134.3 | 85% | 0.85 | 85% | 0.845 | S | S | * | * | | | trans | -54.5 | 168.8 | -168.2 | -94.1 | -8.4 | 0 | 0 | 0 | 117.3 | | |
| 3 | P | 54.1 | Low | 45.8 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 74% | 0.74 | 85% | 0.851 | S | S | * | * | | | cis | -139.7 | 171.5 | -24.9 | 35.5 | -17 | 0 | 0 | 0 | 115.5 | | |
| 4 | S | 42.7 | Very low | 45.1 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 77% | 0.769 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 159.8 | 167.8 | -53.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 5 | P | 63.1 | Low | 44.9 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 135.3 | 176.3 | 30.3 | -34.6 | 0 | 0 | 0 | 112.5 | | |
| 6 | A | 50.2 | Low | 44.4 | Very low | 96 Ų | 96 | 133.1 Ų | 133.1 | 79% | 0.793 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 135.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 7 | F | 48.4 | Very low | 44.3 | Very low | 210 Ų | 210 | 134.2 Ų | 134.2 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 122.2 | 166.7 | -88 | -91.5 | 0 | 0 | 0 | 110.1 | A9 | F7-A9 PolarHBondContact O-N 3.34Š|
| 8 | S | 45.6 | Very low | 44 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -78.2 | 110.8 | 173 | -62.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 9 | A | 39 | Very low | 43.7 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 84% | 0.843 | 84% | 0.842 | S | S | * | * | | | trans | -104.1 | 119.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F7 | F7-A9 PolarHBondContact O-N 3.34Š|
| 10 | A | 44.8 | Very low | 43.1 | Very low | 82 Ų | 82 | 132.8 Ų | 132.8 | 68% | 0.678 | 84% | 0.842 | S | S | * | * | | | trans | -157.3 | 120.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 11 | N | 42.6 | Very low | 42.8 | Very low | 170 Ų | 170 | 132.9 Ų | 132.9 | 91% | 0.909 | 84% | 0.837 | S | S | * | * | | | trans | 51.4 | 132.6 | 150.8 | -52.3 | -15.6 | 0 | 0 | 0 | 119.5 | | |
| 12 | G | 38.2 | Very low | 42.8 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | | | cis | 131.9 | 114.9 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 13 | T | 40.7 | Very low | 42.7 | Very low | 151 Ų | 151 | 125.3 Ų | 125.3 | 93% | 0.926 | 81% | 0.81 | S | S | * | * | | | trans | -155 | 116.4 | 159.1 | 2.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 14 | G | 35.9 | Very low | 42.3 | Very low | 84 Ų | 84 | 124.1 Ų | 124.1 | 87% | 0.866 | 81% | 0.805 | S | S | * | * | | | trans | -94.3 | 140.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 15 | S | 41.5 | Very low | 42.5 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | trans | -139.7 | 89.5 | 152.7 | 58.6 | 0 | 0 | 0 | 0 | 107.8 | | |
| 16 | N | 37.2 | Very low | 41.9 | Very low | 160 Ų | 160 | 123 Ų | 123 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -94.2 | 114.2 | 170.6 | 177 | -1.1 | 0 | 0 | 0 | 107.5 | | |
| 17 | L | 42.7 | Very low | 42.1 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -163.9 | 137.4 | 163.1 | -106.9 | 155.7 | 0 | 0 | 0 | 109.9 | | |
| 18 | Q | 37.9 | Very low | 42.5 | Very low | 163 Ų | 163 | 119.9 Ų | 119.9 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | 66.2 | 95.8 | 171.7 | -64.5 | 173 | -30.2 | 0 | 0 | 115.9 | | |
| 19 | T | 38.2 | Very low | 43 | Very low | 130 Ų | 130 | 119.4 Ų | 119.4 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | | 56 | 118.6 | 75.4 | 71.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 20 | G | 32.3 | Very low | 43.8 | Very low | 82 Ų | 82 | 118.2 Ų | 118.2 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | | | trans | -62.4 | 146.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 21 | N | 37.9 | Very low | 44.5 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | trans | -145 | 82.5 | 166.3 | -146.8 | 12.9 | 0 | 0 | 0 | 109.6 | V23 | N21-V23 PolarHBondContact O-N 2.87Š|
| 22 | T | 41.9 | Very low | 45.5 | Very low | 152 Ų | 152 | 118.3 Ų | 118.3 | 93% | 0.933 | 72% | 0.718 | S | S | * | * | | | trans | -73.9 | 53.9 | 170.2 | 27.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 23 | V | 42.8 | Very low | 46.8 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 58% | 0.582 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -144.3 | 130.3 | -180 | -155.7 | 0 | 0 | 0 | 0 | 111.2 | N21 | N21-V23 PolarHBondContact O-N 2.87Š|
| 24 | S | 44.1 | Very low | 47.9 | Very low | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | | | trans | 55.7 | 69.7 | 155.1 | 55.4 | 0 | 0 | 0 | 0 | 118 | T26 | S24-T26 VanDerWaalsContact CB-OG1 3.27Å; S24-T26 WeakPolarHBondContact CB-OG1 3.34Å; S24-T26 PolarHBondContact O-N 3.12Å |
| 25 | A | 46.8 | Very low | 49.2 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 87% | 0.868 | 67% | 0.668 | S | S | * | * | | | trans | -73 | 44.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W27 | A25-W27 PolarHBondContact O-N 3.22Š|
| 26 | T | 52 | Low | 50.2 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | | | trans | -76.3 | 82.6 | 172.1 | -0.2 | 0 | 0 | 0 | 0 | 108.3 | S24 I28 | S24-T26 VanDerWaalsContact CB-OG1 3.27Å; S24-T26 WeakPolarHBondContact CB-OG1 3.34Å; S24-T26 PolarHBondContact O-N 3.12Å; T26-I28 PolarHBondContact O-N 3.12Å |
| 27 | W | 52.9 | Low | 51.7 | Low | 90 Ų | 90 | 115.6 Ų | 115.6 | 34% | 0.341 | 66% | 0.657 | S | S | . | * | | | trans | -16.9 | 116.6 | 163.2 | 48.7 | -81.1 | 0 | 0 | 0 | 114.2 | A25 N29 K30 P47 M51 | A25-W27 PolarHBondContact O-N 3.22Å; W27-N29 HydrophobicContact CE3-CB 4Å; W27-N29 HydrophobicContact CZ3-CB 4.36Å; W27-N29 PolarHBondContact O-N 3.35Å; W27-K30 HydrophobicContact CD2-CG 4.46Å; W27-K30 HydrophobicContact CE3-CG 3.89Å; W27-K30 HydrophobicContact CH2-CD 4.09Å; W27-K30 HydrophobicContact CH2-CG 3.73Å; W27-K30 HydrophobicContact CZ2-CD 4.32Å; W27-K30 HydrophobicContact CZ2-CG 4.27Å; W27-K30 HydrophobicContact CZ3-CD 4.35Å; W27-K30 HydrophobicContact CZ3-CG 3.49Å; W27-K30 VanDerWaalsContact CZ3-CG 3.49Å; W27-P47 HydrophobicContact CH2-CG 4.4Å; W27-M51 HydrophobicContact CH2-CE 4.25Å; W27-M51 HydrophobicContact CZ3-CE 3.75Å |
| 28 | I | 56.9 | Low | 53 | Low | 151 Ų | 151 | 116.9 Ų | 116.9 | 77% | 0.774 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -62.8 | -5.3 | -170 | -80.6 | 167.4 | 0 | 0 | 0 | 114.5 | T26 K30 | T26-I28 PolarHBondContact O-N 3.12Å; I28-K30 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact O-N 3.1Å |
| 29 | N | 55.9 | Low | 53.8 | Low | 116 Ų | 116 | 115.7 Ų | 115.7 | 62% | 0.62 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -78.3 | 10.3 | -173.8 | -52.2 | -27.7 | 0 | 0 | 0 | 115.3 | W27 | W27-N29 HydrophobicContact CE3-CB 4Å; W27-N29 HydrophobicContact CZ3-CB 4.36Å; W27-N29 PolarHBondContact O-N 3.35Å |
| 30 | K | 57.7 | Low | 55.1 | Low | 78 Ų | 78 | 118.2 Ų | 118.2 | 34% | 0.339 | 65% | 0.653 | S | S | . | * | G | 310 helix | trans | -95.9 | -6.8 | -179.9 | -78.7 | -146.7 | 178 | -168.1 | 0 | 116 | W27 I28 P44 C45 | W27-K30 HydrophobicContact CD2-CG 4.46Å; W27-K30 HydrophobicContact CE3-CG 3.89Å; W27-K30 HydrophobicContact CH2-CD 4.09Å; W27-K30 HydrophobicContact CH2-CG 3.73Å; W27-K30 HydrophobicContact CZ2-CD 4.32Å; W27-K30 HydrophobicContact CZ2-CG 4.27Å; W27-K30 HydrophobicContact CZ3-CD 4.35Å; W27-K30 HydrophobicContact CZ3-CG 3.49Å; W27-K30 VanDerWaalsContact CZ3-CG 3.49Å; I28-K30 PolarHBondContact O-N 2.91Å; I28-K30 VanDerWaalsContact O-N 3.1Å; K30-P44 WeakPolarHBondContact O-CA 2.96Å; K30-C45 PolarHBondContact O-N 2.83Å |
| 31 | L | 59.6 | Low | 56.6 | Low | 124 Ų | 124 | 117.2 Ų | 117.2 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.9 | 100.8 | -170.1 | -51.4 | -173.4 | 0 | 0 | 0 | 111.7 | V42 | L31-V42 HydrophobicContact CB-CG1 3.72Å; L31-V42 HydrophobicContact CD1-CG1 4.3Å; L31-V42 HydrophobicContact CD2-CG1 3.6Å; L31-V42 HydrophobicContact CG-CG1 4.04Å |
| 32 | K | 62.8 | Low | 57.7 | Low | 129 Ų | 129 | 114.8 Ų | 114.8 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 120.1 | 163.5 | -172.2 | 177.9 | -178.8 | 175.4 | 0 | 108.9 | V34 A43 C45 | K32-V34 HydrophobicContact CB-CG2 4.24Å; K32-V34 HydrophobicContact CD-CG2 3.91Å; K32-V34 HydrophobicContact CG-CG2 3.75Å; K32-V34 PolarHBondContact O-N 3.26Å; K32-A43 PolarHBondContact N-O 3.33Å; K32-A43 PolarHBondContact O-N 3.01Å; K32-C45 VanDerWaalsContact CB-SG 3.51Å |
| 33 | I | 64.5 | Low | 58.7 | Low | 121 Ų | 121 | 109.3 Ų | 109.3 | 62% | 0.621 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.3 | 114 | 168.5 | -57.7 | 172.4 | 0 | 0 | 0 | 106.9 | W40 | I33-W40 HydrophobicContact CG2-CB 4.11Å; I33-W40 HydrophobicContact CG2-CG 4.39Å |
| 34 | V | 64.1 | Low | 59.6 | Low | 73 Ų | 73 | 110 Ų | 110 | 44% | 0.442 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.7 | 177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | K32 A41 A43 | K32-V34 HydrophobicContact CB-CG2 4.24Å; K32-V34 HydrophobicContact CD-CG2 3.91Å; K32-V34 HydrophobicContact CG-CG2 3.75Å; K32-V34 PolarHBondContact O-N 3.26Å; V34-A41 PolarHBondContact N-O 3.06Å; V34-A41 PolarHBondContact O-N 3.2Å; V34-A41 VanDerWaalsContact O-N 3.12Å; V34-A43 HydrophobicContact CG2-CB 4.11Å |
| 35 | G | 63.7 | Low | 60.6 | Low | 39 Ų | 39 | 108 Ų | 108 | 40% | 0.402 | 59% | 0.589 | S | S | . | * | | | trans | 173.6 | 158.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N39 | G35-N39 WeakPolarHBondContact CA-O 3.46Š|
| 36 | R | 62.3 | Low | 61.6 | Low | 243 Ų | 243 | 111 Ų | 111 | 92% | 0.917 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -133.3 | 142.2 | 164.8 | -64.5 | -171 | -173.9 | -131 | 5.5 | 107.6 | | |
| 37 | G | 69.2 | Low | 62.3 | Low | 56 Ų | 56 | 107.2 Ų | 107.2 | 58% | 0.577 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.4 | -155.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N39 | G37-N39 PolarHBondContact O-N 3.42Š|
| 38 | Q | 69.8 | Low | 63.2 | Low | 178 Ų | 178 | 109.5 Ų | 109.5 | 83% | 0.832 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -7.2 | -175.6 | -74.8 | 152.7 | -46.9 | 0 | 0 | 114.6 | W40 | Q38-W40 PolarHBondContact O-N 3.03Š|
| 39 | N | 54.5 | Low | 63.8 | Low | 138 Ų | 138 | 112.7 Ų | 112.7 | 74% | 0.738 | 58% | 0.579 | S | S | * | * | | | trans | -96.5 | 73.4 | 179.9 | -64.8 | -51.2 | 0 | 0 | 0 | 110.8 | G35 G37 A41 | G35-N39 WeakPolarHBondContact CA-O 3.46Å; G37-N39 PolarHBondContact O-N 3.42Å; N39-A41 PolarHBondContact O-N 2.95Å |
| 40 | W | 64.6 | Low | 64.6 | Low | 184 Ų | 184 | 115.9 Ų | 115.9 | 70% | 0.697 | 60% | 0.595 | S | S | * | * | | | trans | -80.5 | 104.4 | 168.8 | -60.1 | -68.1 | 0 | 0 | 0 | 109.7 | I33 Q38 | I33-W40 HydrophobicContact CG2-CB 4.11Å; I33-W40 HydrophobicContact CG2-CG 4.39Å; Q38-W40 PolarHBondContact O-N 3.03Å |
| 41 | A | 65.5 | Low | 65.3 | Low | 60 Ų | 60 | 114.3 Ų | 114.3 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.3 | 143 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | V34 N39 | V34-A41 PolarHBondContact N-O 3.06Å; V34-A41 PolarHBondContact O-N 3.2Å; V34-A41 VanDerWaalsContact O-N 3.12Å; N39-A41 PolarHBondContact O-N 2.95Å |
| 42 | V | 60.6 | Low | 65.9 | Low | 84 Ų | 84 | 111.1 Ų | 111.1 | 51% | 0.509 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.1 | 102.5 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 108 | L31 | L31-V42 HydrophobicContact CB-CG1 3.72Å; L31-V42 HydrophobicContact CD1-CG1 4.3Å; L31-V42 HydrophobicContact CD2-CG1 3.6Å; L31-V42 HydrophobicContact CG-CG1 4.04Å |
| 43 | A | 61.9 | Low | 66.3 | Low | 37 Ų | 37 | 109.9 Ų | 109.9 | 31% | 0.306 | 59% | 0.589 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K32 V34 C45 | K32-A43 PolarHBondContact N-O 3.33Å; K32-A43 PolarHBondContact O-N 3.01Å; V34-A43 HydrophobicContact CG2-CB 4.11Å; A43-C45 PolarHBondContact O-N 3.45Å; A43-C45 VanDerWaalsContact O-N 3.16Å |
| 44 | P | 63.1 | Low | 66.8 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 73% | 0.727 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -62.1 | 115.4 | 167.8 | -18.7 | 31.4 | 0 | 0 | 0 | 109.4 | K30 | K30-P44 WeakPolarHBondContact O-CA 2.96Å |
| 45 | C | 63.3 | Low | 67.1 | Low | 48 Ų | 48 | 111.5 Ų | 111.5 | 32% | 0.324 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -74.2 | 132.3 | 170 | -94.8 | 0 | 0 | 0 | 0 | 110.5 | K30 K32 A43 | K30-C45 PolarHBondContact O-N 2.83Å; K32-C45 VanDerWaalsContact CB-SG 3.51Å; A43-C45 PolarHBondContact O-N 3.45Å; A43-C45 VanDerWaalsContact O-N 3.16Å |
| 46 | E | 68.2 | Low | 67.6 | Low | 167 Ų | 167 | 115.5 Ų | 115.5 | 78% | 0.78 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -48 | 140.6 | 155.4 | -84.2 | -83.4 | 104.7 | 0 | 0 | 109.4 | | |
| 47 | P | 67.8 | Low | 68.1 | Low | 24 Ų | 24 | 107.3 Ų | 107.3 | 16% | 0.156 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -55.7 | 144.7 | 170.2 | -14.3 | 26.6 | 0 | 0 | 0 | 109.6 | W27 Y49 M51 T53 | W27-P47 HydrophobicContact CH2-CG 4.4Å; P47-Y49 PolarHBondContact O-N 3.23Å; P47-M51 HydrophobicContact CB-CB 4.14Å; P47-M51 HydrophobicContact CB-CE 3.93Å; P47-T53 HydrophobicContact CG-CG2 3.64Å |
| 48 | F | 71.2 | Confident | 68.1 | Low | 137 Ų | 137 | 110.2 Ų | 110.2 | 60% | 0.601 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 140.2 | 168.5 | 58.1 | -102 | 0 | 0 | 0 | 109.2 | L50 M51 | F48-L50 PolarHBondContact O-N 3.26Å; F48-M51 HydrophobicContact CD1-CB 4.21Å; F48-M51 HydrophobicContact CD1-CE 3.6Å; F48-M51 HydrophobicContact CD1-SD 3.93Å; F48-M51 HydrophobicContact CD2-CB 3.75Å; F48-M51 HydrophobicContact CE1-CB 4.05Å; F48-M51 HydrophobicContact CE1-CE 3.58Å; F48-M51 HydrophobicContact CE1-CG 4.11Å; F48-M51 HydrophobicContact CE1-SD 3.25Å; F48-M51 WeakPolarHBondContact CE1-SD 3.46Å; F48-M51 HydrophobicContact CE2-CB 3.56Å; F48-M51 HydrophobicContact CE2-CG 4.19Å; F48-M51 HydrophobicContact CE2-SD 4.38Å; F48-M51 HydrophobicContact CG-CB 4.07Å; F48-M51 HydrophobicContact CG-CE 4.34Å; F48-M51 HydrophobicContact CZ-CB 3.72Å; F48-M51 HydrophobicContact CZ-CE 4.3Å; F48-M51 HydrophobicContact CZ-CG 3.84Å; F48-M51 HydrophobicContact CZ-SD 3.52Å; F48-M51 VanDerWaalsContact CZ-SD 3.52Å; F48-M51 WeakPolarHBondContact O-CB 3.08Å; F48-M51 PolarHBondContact O-N 3.04Å |
| 49 | Y | 70.1 | Confident | 67.9 | Low | 219 Ų | 219 | 108.6 Ų | 108.6 | 86% | 0.859 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.8 | 129.2 | 174.9 | -57.9 | -83.6 | 0 | 0 | 0 | 109.6 | P47 | P47-Y49 PolarHBondContact O-N 3.23Š|
| 50 | L | 72.9 | Confident | 68.9 | Low | 182 Ų | 182 | 105.5 Ų | 105.5 | 95% | 0.953 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.5 | -11.1 | -169.4 | -55.1 | 147.1 | 0 | 0 | 0 | 116.9 | F48 G52 | F48-L50 PolarHBondContact O-N 3.26Å; L50-G52 PolarHBondContact O-N 2.95Å |
| 51 | M | 71.5 | Confident | 69.6 | Low | 46 Ų | 46 | 101 Ų | 101 | 23% | 0.227 | 60% | 0.602 | C | S | . | * | | | trans | -83.1 | 107.9 | 169.4 | -158.4 | 166 | 47.5 | 0 | 0 | 110 | W27 P47 F48 T53 | W27-M51 HydrophobicContact CH2-CE 4.25Å; W27-M51 HydrophobicContact CZ3-CE 3.75Å; P47-M51 HydrophobicContact CB-CB 4.14Å; P47-M51 HydrophobicContact CB-CE 3.93Å; F48-M51 HydrophobicContact CD1-CB 4.21Å; F48-M51 HydrophobicContact CD1-CE 3.6Å; F48-M51 HydrophobicContact CD1-SD 3.93Å; F48-M51 HydrophobicContact CD2-CB 3.75Å; F48-M51 HydrophobicContact CE1-CB 4.05Å; F48-M51 HydrophobicContact CE1-CE 3.58Å; F48-M51 HydrophobicContact CE1-CG 4.11Å; F48-M51 HydrophobicContact CE1-SD 3.25Å; F48-M51 WeakPolarHBondContact CE1-SD 3.46Å; F48-M51 HydrophobicContact CE2-CB 3.56Å; F48-M51 HydrophobicContact CE2-CG 4.19Å; F48-M51 HydrophobicContact CE2-SD 4.38Å; F48-M51 HydrophobicContact CG-CB 4.07Å; F48-M51 HydrophobicContact CG-CE 4.34Å; F48-M51 HydrophobicContact CZ-CB 3.72Å; F48-M51 HydrophobicContact CZ-CE 4.3Å; F48-M51 HydrophobicContact CZ-CG 3.84Å; F48-M51 HydrophobicContact CZ-SD 3.52Å; F48-M51 VanDerWaalsContact CZ-SD 3.52Å; F48-M51 WeakPolarHBondContact O-CB 3.08Å; F48-M51 PolarHBondContact O-N 3.04Å; M51-T53 PolarHBondContact O-N 2.81Å |
| 52 | G | 71.8 | Confident | 70.7 | Confident | 56 Ų | 56 | 101.3 Ų | 101.3 | 58% | 0.577 | 60% | 0.595 | S | S | * | * | | | trans | -56.3 | 137.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L50 E54 | L50-G52 PolarHBondContact O-N 2.95Å; G52-E54 VanDerWaalsContact C-N 3.3Å |
| 53 | T | 71.3 | Confident | 71.9 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 63% | 0.632 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -76.8 | -21.9 | 172.8 | 46 | 0 | 0 | 0 | 0 | 112.4 | P47 M51 | P47-T53 HydrophobicContact CG-CG2 3.64Å; M51-T53 PolarHBondContact O-N 2.81Å |
| 54 | E | 74.8 | Confident | 73.2 | Confident | 133 Ų | 133 | 103.2 Ų | 103.2 | 62% | 0.621 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -70.3 | 133.9 | 167.6 | -161.4 | -155.6 | 173.4 | 0 | 0 | 109.4 | G52 | G52-E54 VanDerWaalsContact C-N 3.3Š|
| 55 | P | 71.4 | Confident | 74.5 | Confident | 95 Ų | 95 | 102.5 Ų | 102.5 | 62% | 0.617 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 150.4 | 160.8 | 27.7 | -35.2 | 0 | 0 | 0 | 109.5 | A57 | P55-A57 PolarHBondContact O-N 3.39Å; P55-A57 VanDerWaalsContact O-N 3.08Å |
| 56 | P | 72.9 | Confident | 76 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 81% | 0.805 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -50.8 | 123.5 | 173 | -23.9 | 33.2 | 0 | 0 | 0 | 109.5 | | |
| 57 | A | 72.9 | Confident | 77.2 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 58% | 0.579 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -46 | 124.4 | -172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | P55 D59 | P55-A57 PolarHBondContact O-N 3.39Å; P55-A57 VanDerWaalsContact O-N 3.08Å; A57-D59 PolarHBondContact O-N 2.97Å; A57-D59 VanDerWaalsContact O-N 3.12Å |
| 58 | P | 69.7 | Low | 78.5 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 77% | 0.766 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -60.7 | 119.9 | -162.5 | 21.9 | -33.4 | 0 | 0 | 0 | 110.7 | | |
| 59 | D | 65.2 | Low | 79.6 | Confident | 144 Ų | 144 | 98.3 Ų | 98.3 | 77% | 0.77 | 61% | 0.605 | S | S | * | * | | | trans | 29.9 | 94.1 | 171.8 | -60 | -28.9 | 0 | 0 | 0 | 115.3 | A57 A61 | A57-D59 PolarHBondContact O-N 2.97Å; A57-D59 VanDerWaalsContact O-N 3.12Å; D59-A61 PolarHBondContact O-N 3.49Å |
| 60 | A | 77.3 | Confident | 80.8 | Confident | 73 Ų | 73 | 94 Ų | 94 | 60% | 0.603 | 59% | 0.593 | S | S | * | * | | | trans | -46.5 | 111.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | L62 T63 | A60-L62 CarbonylContact O-C 3.42Å; A60-L62 VanDerWaalsContact O-C 3.25Å; A60-L62 PolarHBondContact O-N 3.14Å; A60-T63 VanDerWaalsContact O-CG2 3.26Å; A60-T63 WeakPolarHBondContact O-CG2 3.27Å; A60-T63 PolarHBondContact O-N 2.99Å |
| 61 | A | 78.6 | Confident | 81.9 | Confident | 90 Ų | 90 | 89.2 Ų | 89.2 | 74% | 0.744 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -57 | -15.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D59 K66 | D59-A61 PolarHBondContact O-N 3.49Å; A61-K66 PolarHBondContact O-NZ 3.05Å |
| 62 | L | 87.4 | Confident | 83 | Confident | 66 Ų | 66 | 93.8 Ų | 93.8 | 35% | 0.346 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -118.9 | 90.3 | 167.4 | -162.9 | 62.5 | 0 | 0 | 0 | 109.9 | A60 K66 L68 H71 Y72 | A60-L62 CarbonylContact O-C 3.42Å; A60-L62 VanDerWaalsContact O-C 3.25Å; A60-L62 PolarHBondContact O-N 3.14Å; L62-K66 HydrophobicContact CD1-CB 4.37Å; L62-K66 HydrophobicContact CD1-CD 3.58Å; L62-K66 HydrophobicContact CD1-CG 4.48Å; L62-L68 HydrophobicContact CD1-CD2 3.37Å; L62-L68 HydrophobicContact CD2-CD2 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.68Å; L62-H71 WeakPolarHBondContact CD1-ND1 3.3Å; L62-Y72 HydrophobicContact CD2-CE2 4.16Å; L62-Y72 WeakPolarHBondContact CD2-OH 3.28Å |
| 63 | T | 86.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 93.7 Ų | 93.7 | 41% | 0.411 | 58% | 0.58 | S | S | . | * | | | trans | -82.4 | 156.6 | 171.3 | 68 | 0 | 0 | 0 | 0 | 110.7 | A60 A65 K66 | A60-T63 VanDerWaalsContact O-CG2 3.26Å; A60-T63 WeakPolarHBondContact O-CG2 3.27Å; A60-T63 PolarHBondContact O-N 2.99Å; T63-A65 PolarHBondContact O-N 3.49Å; T63-K66 WeakPolarHBondContact O-CB 3.32Å; T63-K66 PolarHBondContact O-N 3.4Å |
| 64 | G | 89.8 | Confident | 85.4 | Confident | 93 Ų | 93 | 93.1 Ų | 93.1 | 96% | 0.959 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -7.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 65 | A | 90.7 | Very high | 86.4 | Confident | 98 Ų | 98 | 89.9 Ų | 89.9 | 81% | 0.81 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -12.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T63 | T63-A65 PolarHBondContact O-N 3.49Š|
| 66 | K | 93.2 | Very high | 87.5 | Confident | 82 Ų | 82 | 90.7 Ų | 90.7 | 36% | 0.357 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -81.1 | 131.7 | -179.7 | -155.1 | -177.4 | -151.1 | 175.3 | 0 | 109.9 | A61 L62 T63 L68 H71 | A61-K66 PolarHBondContact O-NZ 3.05Å; L62-K66 HydrophobicContact CD1-CB 4.37Å; L62-K66 HydrophobicContact CD1-CD 3.58Å; L62-K66 HydrophobicContact CD1-CG 4.48Å; T63-K66 WeakPolarHBondContact O-CB 3.32Å; T63-K66 PolarHBondContact O-N 3.4Å; K66-L68 PolarHBondContact O-N 3.06Å; K66-H71 HydrophobicContact CD-CB 4.32Å; K66-H71 WeakPolarHBondContact CE-CD2 3.44Å; K66-H71 PolarHBondContact NZ-CD2 3.05Å; K66-H71 PolarHBondContact NZ-NE2 2.89Å |
| 67 | N | 94.3 | Very high | 88.4 | Confident | 67 Ų | 67 | 86.7 Ų | 86.7 | 36% | 0.358 | 53% | 0.534 | S | S | . | . | | | trans | -66.3 | 107.5 | 171.6 | -175.3 | -6 | 0 | 0 | 0 | 109.6 | I69 E70 H71 | N67-I69 VanDerWaalsContact C-N 3.27Å; N67-I69 PolarHBondContact O-N 2.71Å; N67-I69 WeakPolarHBondContact OD1-CB 3.49Å; N67-I69 PolarHBondContact OD1-N 3.17Å; N67-E70 HydrophobicContact CB-CB 4.18Å; N67-E70 HydrophobicContact CB-CG 4.3Å; N67-E70 WeakPolarHBondContact ND2-CG 3.34Å; N67-E70 PolarHBondContact ND2-OE1 2.98Å; N67-E70 PolarHBondContact O-N 3Å; N67-H71 VanDerWaalsContact O-CB 3.3Å; N67-H71 WeakPolarHBondContact O-CB 3.15Å; N67-H71 PolarHBondContact O-N 3.21Å |
| 68 | L | 95.1 | Very high | 89.5 | Confident | 88 Ų | 88 | 89.1 Ų | 89.1 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -28.3 | -178.4 | -55.4 | -173.7 | 0 | 0 | 0 | 112.5 | L62 K66 Y72 | L62-L68 HydrophobicContact CD1-CD2 3.37Å; L62-L68 HydrophobicContact CD2-CD2 3.91Å; L62-L68 HydrophobicContact CG-CD2 3.68Å; K66-L68 PolarHBondContact O-N 3.06Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.45Å; L68-Y72 PolarHBondContact O-N 2.76Å; L68-Y72 VanDerWaalsContact O-N 3.17Å |
| 69 | I | 95.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 89 Ų | 89 | 26% | 0.256 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.1 | -48.5 | 178.6 | -59.5 | 176.1 | 0 | 0 | 0 | 109.6 | N67 G73 L74 E75 Y78 | N67-I69 VanDerWaalsContact C-N 3.27Å; N67-I69 PolarHBondContact O-N 2.71Å; N67-I69 WeakPolarHBondContact OD1-CB 3.49Å; N67-I69 PolarHBondContact OD1-N 3.17Å; I69-G73 PolarHBondContact O-N 3.35Å; I69-L74 HydrophobicContact CG2-CB 4.11Å; I69-L74 PolarHBondContact O-N 3Å; I69-E75 HydrophobicContact CG2-CB 4.32Å; I69-E75 WeakPolarHBondContact CG2-OE2 3.3Å; I69-Y78 HydrophobicContact CD1-CD1 4.44Å; I69-Y78 HydrophobicContact CD1-CD2 4.06Å; I69-Y78 HydrophobicContact CD1-CE2 4.3Å; I69-Y78 HydrophobicContact CD1-CG 4.14Å; I69-Y78 HydrophobicContact CG2-CG 4.46Å |
| 70 | E | 95.1 | Very high | 91.8 | Very high | 129 Ų | 129 | 89 Ų | 89 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 174.3 | -73.1 | 166.2 | -144.4 | 0 | 0 | 111.6 | N67 Y72 G73 | N67-E70 HydrophobicContact CB-CB 4.18Å; N67-E70 HydrophobicContact CB-CG 4.3Å; N67-E70 WeakPolarHBondContact ND2-CG 3.34Å; N67-E70 PolarHBondContact ND2-OE1 2.98Å; N67-E70 PolarHBondContact O-N 3Å; E70-Y72 VanDerWaalsContact C-N 3.28Å; E70-Y72 PolarHBondContact O-N 2.94Å; E70-G73 PolarHBondContact O-N 3.3Å |
| 71 | H | 94.7 | Very high | 92.3 | Very high | 82 Ų | 82 | 91.7 Ų | 91.7 | 38% | 0.38 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.9 | -38.5 | -176.9 | -177.1 | -110.5 | 0 | 0 | 0 | 113.8 | L62 K66 N67 | L62-H71 WeakPolarHBondContact CD1-ND1 3.3Å; K66-H71 HydrophobicContact CD-CB 4.32Å; K66-H71 WeakPolarHBondContact CE-CD2 3.44Å; K66-H71 PolarHBondContact NZ-CD2 3.05Å; K66-H71 PolarHBondContact NZ-NE2 2.89Å; N67-H71 VanDerWaalsContact O-CB 3.3Å; N67-H71 WeakPolarHBondContact O-CB 3.15Å; N67-H71 PolarHBondContact O-N 3.21Å |
| 72 | Y | 95.7 | Very high | 92.7 | Very high | 141 Ų | 141 | 91.4 Ų | 91.4 | 55% | 0.553 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 10.9 | 178.2 | -66.9 | -66.5 | 0 | 0 | 0 | 113.3 | L62 L68 E70 L74 | L62-Y72 HydrophobicContact CD2-CE2 4.16Å; L62-Y72 WeakPolarHBondContact CD2-OH 3.28Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.45Å; L68-Y72 PolarHBondContact O-N 2.76Å; L68-Y72 VanDerWaalsContact O-N 3.17Å; E70-Y72 VanDerWaalsContact C-N 3.28Å; E70-Y72 PolarHBondContact O-N 2.94Å; Y72-L74 PolarHBondContact O-N 2.92Å |
| 73 | G | 96.1 | Very high | 92.5 | Very high | 54 Ų | 54 | 91.4 Ų | 91.4 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66 | 18.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I69 E70 E75 | I69-G73 PolarHBondContact O-N 3.35Å; E70-G73 PolarHBondContact O-N 3.3Å; G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 3.36Å |
| 74 | L | 96.9 | Very high | 92.4 | Very high | 91 Ų | 91 | 95.9 Ų | 95.9 | 48% | 0.476 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -3 | -173.5 | -60.4 | 178.4 | 0 | 0 | 0 | 113.6 | I69 Y72 N76 A77 Y78 | I69-L74 HydrophobicContact CG2-CB 4.11Å; I69-L74 PolarHBondContact O-N 3Å; Y72-L74 PolarHBondContact O-N 2.92Å; L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.11Å; L74-A77 WeakPolarHBondContact O-CA 3.33Å; L74-A77 WeakPolarHBondContact O-CB 3.46Å; L74-A77 PolarHBondContact O-N 3.08Å; L74-Y78 PolarHBondContact O-N 3.08Å |
| 75 | E | 95 | Very high | 92.1 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -51.7 | -46.3 | -178.7 | -173.7 | 53 | -138.8 | 0 | 0 | 112.3 | I69 G73 A77 Y78 Q79 | I69-E75 HydrophobicContact CG2-CB 4.32Å; I69-E75 WeakPolarHBondContact CG2-OE2 3.3Å; G73-E75 VanDerWaalsContact C-N 3.28Å; G73-E75 PolarHBondContact O-N 3.36Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.96Å; E75-Y78 PolarHBondContact O-N 2.96Å; E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 3.09Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.44Å; E75-Q79 PolarHBondContact OE1-NE2 2.95Å |
| 76 | N | 94.3 | Very high | 91.8 | Very high | 112 Ų | 112 | 103.4 Ų | 103.4 | 60% | 0.599 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -31 | 176 | -77.2 | -37.9 | 0 | 0 | 0 | 113.6 | L74 K80 | L74-N76 VanDerWaalsContact C-N 3.29Å; L74-N76 PolarHBondContact O-N 3.11Å; N76-K80 WeakPolarHBondContact O-CB 3.33Å; N76-K80 VanDerWaalsContact O-CD 3.29Å; N76-K80 WeakPolarHBondContact O-CD 3.43Å; N76-K80 WeakPolarHBondContact O-CG 3.45Å; N76-K80 PolarHBondContact O-N 3.34Å |
| 77 | A | 93.6 | Very high | 91.4 | Very high | 40 Ų | 40 | 107.8 Ų | 107.8 | 33% | 0.331 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.5 | -44.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L74 E75 Q79 K80 F81 | L74-A77 WeakPolarHBondContact O-CA 3.33Å; L74-A77 WeakPolarHBondContact O-CB 3.46Å; L74-A77 PolarHBondContact O-N 3.08Å; E75-A77 VanDerWaalsContact C-N 3.29Å; E75-A77 PolarHBondContact O-N 2.96Å; A77-Q79 PolarHBondContact O-N 2.91Å; A77-K80 PolarHBondContact O-N 2.77Å; A77-F81 HydrophobicContact CB-CD2 4.44Å; A77-F81 VanDerWaalsContact O-CD2 3.24Å; A77-F81 WeakPolarHBondContact O-CD2 2.97Å; A77-F81 PolarHBondContact O-N 2.92Å |
| 78 | Y | 94.2 | Very high | 90.9 | Very high | 122 Ų | 122 | 113.3 Ų | 113.3 | 48% | 0.478 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -56.3 | -50.3 | 176 | -178.8 | -107.2 | 0 | 0 | 0 | 111.5 | I69 L74 E75 K80 F81 C82 | I69-Y78 HydrophobicContact CD1-CD1 4.44Å; I69-Y78 HydrophobicContact CD1-CD2 4.06Å; I69-Y78 HydrophobicContact CD1-CE2 4.3Å; I69-Y78 HydrophobicContact CD1-CG 4.14Å; I69-Y78 HydrophobicContact CG2-CG 4.46Å; L74-Y78 PolarHBondContact O-N 3.08Å; E75-Y78 PolarHBondContact O-N 2.96Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 2.84Å; Y78-F81 PolarHBondContact O-N 2.84Å; Y78-C82 HydrophobicContact CD2-CB 3.84Å; Y78-C82 VanDerWaalsContact CD2-SG 3.52Å; Y78-C82 HydrophobicContact CE2-CB 3.71Å; Y78-C82 HydrophobicContact CG-CB 4.47Å; Y78-C82 VanDerWaalsContact O-CB 3.25Å; Y78-C82 WeakPolarHBondContact O-CB 3.35Å; Y78-C82 PolarHBondContact O-N 2.71Å |
| 79 | Q | 92.8 | Very high | 90.6 | Very high | 116 Ų | 116 | 113.9 Ų | 113.9 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -39.5 | 176.6 | -69 | -178.9 | 23.8 | 0 | 0 | 113.1 | E75 A77 | E75-Q79 WeakPolarHBondContact O-CG 3.47Å; E75-Q79 PolarHBondContact O-N 3.09Å; E75-Q79 WeakPolarHBondContact OE1-CG 3.44Å; E75-Q79 PolarHBondContact OE1-NE2 2.95Å; A77-Q79 PolarHBondContact O-N 2.91Å |
| 80 | K | 90.2 | Very high | 90.2 | Very high | 143 Ų | 143 | 115.6 Ų | 115.6 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.3 | -44.2 | -179.9 | -78.5 | 172.4 | -173.5 | 179.7 | 0 | 113 | N76 A77 Y78 | N76-K80 WeakPolarHBondContact O-CB 3.33Å; N76-K80 VanDerWaalsContact O-CD 3.29Å; N76-K80 WeakPolarHBondContact O-CD 3.43Å; N76-K80 WeakPolarHBondContact O-CG 3.45Å; N76-K80 PolarHBondContact O-N 3.34Å; A77-K80 PolarHBondContact O-N 2.77Å; Y78-K80 VanDerWaalsContact C-N 3.34Å; Y78-K80 PolarHBondContact O-N 2.84Å |
| 81 | F | 88 | Confident | 89.8 | Confident | 130 Ų | 130 | 111.1 Ų | 111.1 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -101.9 | -31.6 | -168.7 | -63.6 | -66.5 | 0 | 0 | 0 | 114.3 | A77 Y78 | A77-F81 HydrophobicContact CB-CD2 4.44Å; A77-F81 VanDerWaalsContact O-CD2 3.24Å; A77-F81 WeakPolarHBondContact O-CD2 2.97Å; A77-F81 PolarHBondContact O-N 2.92Å; Y78-F81 PolarHBondContact O-N 2.84Å |
| 82 | C | 88.5 | Confident | 89.5 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 57% | 0.568 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -90.7 | -23.7 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | Y78 K84 | Y78-C82 HydrophobicContact CD2-CB 3.84Å; Y78-C82 VanDerWaalsContact CD2-SG 3.52Å; Y78-C82 HydrophobicContact CE2-CB 3.71Å; Y78-C82 HydrophobicContact CG-CB 4.47Å; Y78-C82 VanDerWaalsContact O-CB 3.25Å; Y78-C82 WeakPolarHBondContact O-CB 3.35Å; Y78-C82 PolarHBondContact O-N 2.71Å; C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 2.83Å |
| 83 | G | 82.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 107.9 Ų | 107.9 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -74.9 | -7.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 84 | K | 84.4 | Confident | 88.9 | Confident | 162 Ų | 162 | 108.8 Ų | 108.8 | 70% | 0.704 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -134.8 | 150.4 | -175.5 | -65.4 | 175.8 | -175.8 | 172.3 | 0 | 110.1 | C82 L86 | C82-K84 VanDerWaalsContact C-N 3.27Å; C82-K84 PolarHBondContact O-N 2.83Å; K84-L86 PolarHBondContact O-N 3.47Å |
| 85 | R | 82.6 | Confident | 88.4 | Confident | 250 Ų | 250 | 108.9 Ų | 108.9 | 94% | 0.943 | 54% | 0.536 | S | S | * | . | | | trans | -67.2 | 99.6 | 167.4 | -68.7 | -173.1 | 67.6 | 173.3 | 0.3 | 108.5 | | |
| 86 | L | 84.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | | | trans | -59.1 | 142.5 | 171.7 | -171.3 | 61.6 | 0 | 0 | 0 | 109.2 | K84 F93 | K84-L86 PolarHBondContact O-N 3.47Å; L86-F93 HydrophobicContact CD1-CZ 4.15Å |
| 87 | R | 85.3 | Confident | 87.8 | Confident | 174 Ų | 174 | 113.6 Ų | 113.6 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | | | trans | -90.8 | 125.2 | 166.1 | -72.9 | -175.5 | 175.1 | -178.4 | -2.5 | 107.3 | A92 F93 | R87-A92 HydrophobicContact CB-CB 3.32Å; R87-A92 HydrophobicContact CG-CB 4.13Å; R87-F93 VanDerWaalsContact O-CE2 3.3Å; R87-F93 WeakPolarHBondContact O-CE2 3.44Å |
| 88 | E | 85 | Confident | 87.3 | Confident | 183 Ų | 183 | 116.6 Ų | 116.6 | 86% | 0.855 | 58% | 0.575 | S | S | * | * | | | trans | -85.4 | -16.7 | -178.7 | -65.1 | 165.8 | -168.7 | 0 | 0 | 112.1 | | |
| 89 | E | 88 | Confident | 86.6 | Confident | 101 Ų | 101 | 111.1 Ų | 111.1 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -62.1 | 133.7 | 175.6 | -64.9 | 167.4 | 174.1 | 0 | 0 | 111.2 | N91 A92 F93 | E89-N91 HydrophobicContact CB-CB 4.48Å; E89-N91 PolarHBondContact O-N 3.48Å; E89-A92 VanDerWaalsContact O-CB 3.28Å; E89-A92 WeakPolarHBondContact O-CB 3.24Å; E89-A92 PolarHBondContact O-N 2.82Å; E89-F93 WeakPolarHBondContact O-CD2 3.15Å |
| 90 | L | 87.5 | Confident | 86 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 45% | 0.445 | 55% | 0.547 | S | S | . | . | G | 310 helix | trans | -62.2 | -34.4 | 176.6 | -176.7 | 62.8 | 0 | 0 | 0 | 111 | A92 F93 L94 I101 D102 | L90-A92 PolarHBondContact O-N 3.44Å; L90-A92 VanDerWaalsContact O-N 3.09Å; L90-F93 PolarHBondContact O-N 2.9Å; L90-L94 HydrophobicContact CD1-CD1 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.15Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.08Å; L90-I101 HydrophobicContact CD2-CB 4.42Å; L90-I101 HydrophobicContact CD2-CD1 4.3Å; L90-I101 HydrophobicContact CD2-CG1 4.4Å; L90-I101 HydrophobicContact CG-CD1 4.04Å; L90-I101 HydrophobicContact CG-CG1 4.4Å; L90-D102 WeakPolarHBondContact CA-OD1 3.3Å; L90-D102 WeakPolarHBondContact CB-OD1 3.4Å; L90-D102 PolarHBondContact N-OD1 2.86Å |
| 91 | N | 86.9 | Confident | 85.8 | Confident | 36 Ų | 36 | 103.9 Ų | 103.9 | 19% | 0.193 | 53% | 0.527 | C | S | . | . | G | 310 helix | trans | -50.8 | -26.8 | 168.9 | -94 | -41.8 | 0 | 0 | 0 | 114.4 | E89 I101 D102 | E89-N91 HydrophobicContact CB-CB 4.48Å; E89-N91 PolarHBondContact O-N 3.48Å; N91-I101 WeakPolarHBondContact OD1-CG1 3.39Å; N91-D102 WeakPolarHBondContact CB-OD2 3.28Å; N91-D102 PolarHBondContact N-OD1 3.06Å; N91-D102 VanDerWaalsContact ND2-CG 3.35Å; N91-D102 PolarHBondContact ND2-OD2 3.04Å |
| 92 | A | 87.7 | Confident | 85.6 | Confident | 33 Ų | 33 | 100.6 Ų | 100.6 | 27% | 0.273 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -78 | -23.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R87 E89 L90 | R87-A92 HydrophobicContact CB-CB 3.32Å; R87-A92 HydrophobicContact CG-CB 4.13Å; E89-A92 VanDerWaalsContact O-CB 3.28Å; E89-A92 WeakPolarHBondContact O-CB 3.24Å; E89-A92 PolarHBondContact O-N 2.82Å; L90-A92 PolarHBondContact O-N 3.44Å; L90-A92 VanDerWaalsContact O-N 3.09Å |
| 93 | F | 89 | Confident | 85.1 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 53% | 0.531 | 51% | 0.511 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -23.1 | 176.9 | -59.9 | -84.8 | 0 | 0 | 0 | 112.3 | L86 R87 E89 L90 P95 | L86-F93 HydrophobicContact CD1-CZ 4.15Å; R87-F93 VanDerWaalsContact O-CE2 3.3Å; R87-F93 WeakPolarHBondContact O-CE2 3.44Å; E89-F93 WeakPolarHBondContact O-CD2 3.15Å; L90-F93 PolarHBondContact O-N 2.9Å; F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.29Å |
| 94 | L | 90.3 | Very high | 84.9 | Confident | 74 Ų | 74 | 101.1 Ų | 101.1 | 39% | 0.387 | 50% | 0.504 | S | S | . | . | | | trans | -119.3 | 57.2 | 179.3 | -60.3 | 176.9 | 0 | 0 | 0 | 112.1 | L90 H96 L97 I101 | L90-L94 HydrophobicContact CD1-CD1 4.14Å; L90-L94 HydrophobicContact CG-CD1 4.15Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-L94 VanDerWaalsContact O-N 3.08Å; L94-H96 PolarHBondContact O-N 2.94Å; L94-L97 HydrophobicContact CB-CB 3.99Å; L94-L97 HydrophobicContact CB-CD2 4.41Å; L94-L97 HydrophobicContact CD1-CD2 3.88Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-I101 HydrophobicContact CB-CD1 3.8Å; L94-I101 HydrophobicContact CD1-CD1 3.99Å; L94-I101 HydrophobicContact CG-CD1 4.45Å |
| 95 | P | 85.9 | Confident | 84.4 | Confident | 92 Ų | 92 | 96.5 Ų | 96.5 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.2 | -172.4 | 30.4 | -38.8 | 0 | 0 | 0 | 114.9 | F93 | F93-P95 VanDerWaalsContact O-CD 3.3Å; F93-P95 WeakPolarHBondContact O-CD 3.29Å |
| 96 | H | 88.7 | Confident | 83.6 | Confident | 185 Ų | 185 | 89.5 Ų | 89.5 | 86% | 0.856 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -3.7 | 177.7 | -56.2 | -53.7 | 0 | 0 | 0 | 113.1 | L94 | L94-H96 PolarHBondContact O-N 2.94Š|
| 97 | L | 87.4 | Confident | 82.9 | Confident | 91 Ų | 91 | 89.9 Ų | 89.9 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | | | trans | -89.2 | 118.4 | 178.8 | -171.7 | 55.1 | 0 | 0 | 0 | 109.4 | L94 I101 | L94-L97 HydrophobicContact CB-CB 3.99Å; L94-L97 HydrophobicContact CB-CD2 4.41Å; L94-L97 HydrophobicContact CD1-CD2 3.88Å; L94-L97 PolarHBondContact O-N 3.47Å; L97-I101 HydrophobicContact CB-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 3.97Å; L97-I101 HydrophobicContact CD2-CG2 3.89Å; L97-I101 HydrophobicContact CG-CD1 4.41Å; L97-I101 HydrophobicContact CG-CG2 4.11Å |
| 98 | S | 83 | Confident | 82.2 | Confident | 104 Ų | 104 | 87.6 Ų | 87.6 | 73% | 0.727 | 49% | 0.493 | S | S | * | . | | | trans | -78.5 | 142.9 | 178.5 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 99 | G | 81 | Confident | 81.6 | Confident | 6 Ų | 6 | 85.3 Ų | 85.3 | 6% | 0.062 | 48% | 0.482 | C | S | . | . | S | Bend | trans | 114.6 | -174 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L152 | G99-L152 CarbonylContact C-O 3.54Å; G99-L152 WeakPolarHBondContact CA-O 3.4Å |
| 100 | N | 80 | Confident | 80.9 | Confident | 70 Ų | 70 | 84.9 Ų | 84.9 | 37% | 0.374 | 49% | 0.49 | S | S | . | . | | | trans | -97.4 | 90.2 | 176.5 | -173.9 | 28 | 0 | 0 | 0 | 111 | V103 L152 | N100-V103 WeakPolarHBondContact O-CG2 3.4Å; N100-L152 PolarHBondContact N-O 3.06Å |
| 101 | I | 84.7 | Confident | 80.7 | Confident | 37 Ų | 37 | 81.7 Ų | 81.7 | 19% | 0.19 | 48% | 0.478 | C | S | . | . | | | trans | -93.7 | -5.6 | -177.2 | 65.1 | 175 | 0 | 0 | 0 | 114.7 | L90 N91 L94 L97 V103 | L90-I101 HydrophobicContact CD2-CB 4.42Å; L90-I101 HydrophobicContact CD2-CD1 4.3Å; L90-I101 HydrophobicContact CD2-CG1 4.4Å; L90-I101 HydrophobicContact CG-CD1 4.04Å; L90-I101 HydrophobicContact CG-CG1 4.4Å; N91-I101 WeakPolarHBondContact OD1-CG1 3.39Å; L94-I101 HydrophobicContact CB-CD1 3.8Å; L94-I101 HydrophobicContact CD1-CD1 3.99Å; L94-I101 HydrophobicContact CG-CD1 4.45Å; L97-I101 HydrophobicContact CB-CD1 4.35Å; L97-I101 HydrophobicContact CD2-CD1 3.97Å; L97-I101 HydrophobicContact CD2-CG2 3.89Å; L97-I101 HydrophobicContact CG-CD1 4.41Å; L97-I101 HydrophobicContact CG-CG2 4.11Å; I101-V103 PolarHBondContact O-N 2.79Å; I101-V103 VanDerWaalsContact O-N 3.08Å |
| 102 | D | 83.6 | Confident | 80.8 | Confident | 61 Ų | 61 | 85.7 Ų | 85.7 | 33% | 0.326 | 50% | 0.498 | S | S | . | . | | | trans | -79 | 20.9 | 177.2 | -63 | -38.2 | 0 | 0 | 0 | 112.6 | L90 N91 | L90-D102 WeakPolarHBondContact CA-OD1 3.3Å; L90-D102 WeakPolarHBondContact CB-OD1 3.4Å; L90-D102 PolarHBondContact N-OD1 2.86Å; N91-D102 WeakPolarHBondContact CB-OD2 3.28Å; N91-D102 PolarHBondContact N-OD1 3.06Å; N91-D102 VanDerWaalsContact ND2-CG 3.35Å; N91-D102 PolarHBondContact ND2-OD2 3.04Å |
| 103 | V | 80 | Confident | 80.8 | Confident | 78 Ų | 78 | 89.8 Ų | 89.8 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | | | trans | -80.6 | 122.3 | 178.6 | -180 | 0 | 0 | 0 | 0 | 109.2 | N100 I101 A105 | N100-V103 WeakPolarHBondContact O-CG2 3.4Å; I101-V103 PolarHBondContact O-N 2.79Å; I101-V103 VanDerWaalsContact O-N 3.08Å; V103-A105 PolarHBondContact O-N 3.38Å |
| 104 | P | 78.2 | Confident | 80.7 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | | | trans | -69.7 | 131.5 | -179 | 28.1 | -34.3 | 0 | 0 | 0 | 111.3 | S106 | P104-S106 PolarHBondContact O-N 2.8Š|
| 105 | A | 72.6 | Confident | 80.6 | Confident | 65 Ų | 65 | 86.6 Ų | 86.6 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | 1.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V103 V107 | V103-A105 PolarHBondContact O-N 3.38Å; A105-V107 VanDerWaalsContact C-N 3.33Å; A105-V107 PolarHBondContact O-N 3.23Å |
| 106 | S | 66.6 | Low | 80.8 | Confident | 103 Ų | 103 | 87.3 Ų | 87.3 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -2.6 | -174.7 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | P104 | P104-S106 PolarHBondContact O-N 2.8Š|
| 107 | V | 70.2 | Confident | 80.8 | Confident | 106 Ų | 106 | 85.8 Ų | 85.8 | 64% | 0.642 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -79.7 | -36.6 | -175.3 | -172.6 | 0 | 0 | 0 | 0 | 112 | A105 | A105-V107 VanDerWaalsContact C-N 3.33Å; A105-V107 PolarHBondContact O-N 3.23Å |
| 108 | D | 70.4 | Confident | 80.8 | Confident | 125 Ų | 125 | 89.4 Ų | 89.4 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -119.1 | 13.5 | -165.1 | -54 | -35.9 | 0 | 0 | 0 | 114.6 | S110 | D108-S110 PolarHBondContact O-N 2.98Š|
| 109 | E | 72.4 | Confident | 81 | Confident | 136 Ų | 136 | 88 Ų | 88 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | S | Bend | trans | 52.5 | 11.7 | -170.9 | -61.8 | -168.4 | -178.3 | 0 | 0 | 115.3 | G111 S114 R118 | E109-G111 VanDerWaalsContact C-N 3.35Å; E109-G111 PolarHBondContact O-N 3.39Å; E109-S114 WeakPolarHBondContact O-CB 3.38Å; E109-S114 PolarHBondContact O-OG 2.86Å; E109-R118 IonicContact OE2-NH1 3.59Å |
| 110 | S | 71.7 | Confident | 81 | Confident | 92 Ų | 92 | 91.8 Ų | 91.8 | 64% | 0.643 | 52% | 0.515 | S | S | * | . | | | trans | -88.1 | 3.2 | -171.3 | 60.3 | 0 | 0 | 0 | 0 | 114.6 | D108 | D108-S110 PolarHBondContact O-N 2.98Š|
| 111 | G | 84.1 | Confident | 81 | Confident | 18 Ų | 18 | 96.1 Ų | 96.1 | 19% | 0.186 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -72.5 | 159.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E109 M113 S114 L115 | E109-G111 VanDerWaalsContact C-N 3.35Å; E109-G111 PolarHBondContact O-N 3.39Å; G111-M113 PolarHBondContact O-N 3.32Å; G111-M113 VanDerWaalsContact O-N 3.11Å; G111-S114 WeakPolarHBondContact O-CB 3.43Å; G111-S114 PolarHBondContact O-N 2.88Å; G111-L115 PolarHBondContact O-N 3.32Å |
| 112 | L | 88.7 | Confident | 80.5 | Confident | 119 Ų | 119 | 105 Ų | 105 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -53.8 | -33 | 179 | -179.1 | 62.4 | 0 | 0 | 0 | 113.7 | L115 I116 | L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.95Å; L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 3.44Å |
| 113 | M | 87.7 | Confident | 79.9 | Confident | 119 Ų | 119 | 105.6 Ų | 105.6 | 59% | 0.586 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.8 | -42.7 | 176.5 | -64.3 | -59.3 | 105.6 | 0 | 0 | 112 | G111 L115 I116 E117 | G111-M113 PolarHBondContact O-N 3.32Å; G111-M113 VanDerWaalsContact O-N 3.11Å; M113-L115 VanDerWaalsContact C-N 3.27Å; M113-L115 PolarHBondContact O-N 3.32Å; M113-I116 HydrophobicContact CE-CD1 3.7Å; M113-I116 PolarHBondContact O-N 2.99Å; M113-E117 WeakPolarHBondContact O-CG 3.33Å; M113-E117 PolarHBondContact O-N 3.37Å |
| 114 | S | 87.7 | Confident | 79.7 | Confident | 33 Ų | 33 | 110.6 Ų | 110.6 | 23% | 0.231 | 60% | 0.603 | C | S | . | * | H | α-helix | trans | -59.8 | -39.4 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | E109 G111 I116 E117 R118 | E109-S114 WeakPolarHBondContact O-CB 3.38Å; E109-S114 PolarHBondContact O-OG 2.86Å; G111-S114 WeakPolarHBondContact O-CB 3.43Å; G111-S114 PolarHBondContact O-N 2.88Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 3.25Å; S114-E117 PolarHBondContact O-N 3.19Å; S114-R118 WeakPolarHBondContact O-CB 3.25Å; S114-R118 PolarHBondContact O-N 3.47Å |
| 115 | L | 88.3 | Confident | 79.8 | Confident | 95 Ų | 95 | 115.3 Ų | 115.3 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.8 | -29.1 | 175.5 | -165.8 | 71.5 | 0 | 0 | 0 | 113.5 | G111 L112 M113 R118 P119 P120 | G111-L115 PolarHBondContact O-N 3.32Å; L112-L115 HydrophobicContact CD1-CD2 4.48Å; L112-L115 PolarHBondContact O-N 2.95Å; M113-L115 VanDerWaalsContact C-N 3.27Å; M113-L115 PolarHBondContact O-N 3.32Å; L115-R118 CarbonylContact O-C 3.57Å; L115-P119 VanDerWaalsContact O-CA 3.28Å; L115-P119 WeakPolarHBondContact O-CA 3.5Å; L115-P120 HydrophobicContact CD1-CG 3.58Å |
| 116 | I | 89.2 | Confident | 80.4 | Confident | 108 Ų | 108 | 120.2 Ų | 120.2 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -77.2 | -43.2 | 175 | -70.3 | 166.3 | 0 | 0 | 0 | 110.7 | L112 M113 S114 | L112-I116 HydrophobicContact CD1-CD1 4.45Å; L112-I116 HydrophobicContact CG-CD1 4.03Å; L112-I116 WeakPolarHBondContact O-CG1 3.48Å; L112-I116 PolarHBondContact O-N 3.44Å; M113-I116 HydrophobicContact CE-CD1 3.7Å; M113-I116 PolarHBondContact O-N 2.99Å; S114-I116 VanDerWaalsContact C-N 3.35Å; S114-I116 PolarHBondContact O-N 3.25Å |
| 117 | E | 89.6 | Confident | 81.3 | Confident | 152 Ų | 152 | 125.7 Ų | 125.7 | 71% | 0.71 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68 | -36.4 | 177.3 | -71.4 | 174.1 | -164.8 | 0 | 0 | 112.2 | M113 S114 | M113-E117 WeakPolarHBondContact O-CG 3.33Å; M113-E117 PolarHBondContact O-N 3.37Å; S114-E117 PolarHBondContact O-N 3.19Å |
| 118 | R | 87.9 | Confident | 82 | Confident | 168 Ų | 168 | 126 Ų | 126 | 63% | 0.634 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -124.6 | 74.2 | 179 | -61.4 | 178.7 | -178 | 154.6 | 2.8 | 109.6 | E109 S114 L115 | E109-R118 IonicContact OE2-NH1 3.59Å; S114-R118 WeakPolarHBondContact O-CB 3.25Å; S114-R118 PolarHBondContact O-N 3.47Å; L115-R118 CarbonylContact O-C 3.57Å |
| 119 | P | 85.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 127 Ų | 127 | 48% | 0.481 | 64% | 0.642 | S | S | . | * | | | trans | -58.5 | 137.1 | 177.7 | 25 | -33.8 | 0 | 0 | 0 | 110 | L115 I121 | L115-P119 VanDerWaalsContact O-CA 3.28Å; L115-P119 WeakPolarHBondContact O-CA 3.5Å; P119-I121 PolarHBondContact O-N 2.87Å |
| 120 | P | 82.5 | Confident | 83.7 | Confident | 86 Ų | 86 | 122.6 Ų | 122.6 | 56% | 0.558 | 63% | 0.629 | S | S | * | * | | | trans | -53.3 | 137.5 | 178 | -27.3 | 35.2 | 0 | 0 | 0 | 111 | L115 R122 | L115-P120 HydrophobicContact CD1-CG 3.58Å; P120-R122 WeakPolarHBondContact O-CG 3.3Å; P120-R122 PolarHBondContact O-N 2.95Å |
| 121 | I | 80.6 | Confident | 84.6 | Confident | 161 Ų | 161 | 122.9 Ų | 122.9 | 83% | 0.826 | 63% | 0.629 | S | S | * | * | | | trans | -63.4 | 97.3 | -175.8 | -58 | 174.6 | 0 | 0 | 0 | 109.1 | P119 G123 | P119-I121 PolarHBondContact O-N 2.87Å; I121-G123 PolarHBondContact O-N 3.33Å |
| 122 | R | 73.2 | Confident | 84.9 | Confident | 223 Ų | 223 | 125.3 Ų | 125.3 | 84% | 0.842 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 1.2 | -176.6 | -53.1 | -173 | -168.3 | 166.6 | 3.6 | 114.4 | P120 K124 | P120-R122 WeakPolarHBondContact O-CG 3.3Å; P120-R122 PolarHBondContact O-N 2.95Å; R122-K124 PolarHBondContact O-N 3.38Å |
| 123 | G | 71.3 | Confident | 85 | Confident | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -7.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | I121 | I121-G123 PolarHBondContact O-N 3.33Š|
| 124 | K | 75.2 | Confident | 85.2 | Confident | 182 Ų | 182 | 122.5 Ų | 122.5 | 79% | 0.791 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -126.7 | 122.3 | 163.3 | -64.9 | -177.9 | -178.3 | 179 | 0 | 107.8 | R122 | R122-K124 PolarHBondContact O-N 3.38Š|
| 125 | E | 81.2 | Confident | 85.4 | Confident | 183 Ų | 183 | 125.7 Ų | 125.7 | 86% | 0.855 | 64% | 0.641 | S | S | * | * | | | trans | -57.5 | 142.5 | 170 | -173.8 | 177.3 | -175.4 | 0 | 0 | 109.6 | R127 | E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.39Å |
| 126 | L | 83.7 | Confident | 85.4 | Confident | 167 Ų | 167 | 128.1 Ų | 128.1 | 87% | 0.874 | 65% | 0.65 | S | S | * | * | | | trans | -70.6 | 85.9 | 177.7 | -66.9 | 179.2 | 0 | 0 | 0 | 109.6 | P128 | L126-P128 WeakPolarHBondContact O-CD 3.28Š|
| 127 | R | 85.6 | Confident | 85.4 | Confident | 219 Ų | 219 | 126.6 Ų | 126.6 | 83% | 0.826 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 122.6 | 176 | -176.7 | 176.9 | 179.9 | 165 | 2.4 | 109.3 | E125 F129 | E125-R127 VanDerWaalsContact C-N 3.28Å; E125-R127 PolarHBondContact O-N 3.39Å; R127-F129 PolarHBondContact O-N 3.5Å |
| 128 | P | 86.5 | Confident | 85.4 | Confident | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 136.2 | 174.5 | 25.3 | -33.1 | 0 | 0 | 0 | 110.2 | L126 | L126-P128 WeakPolarHBondContact O-CD 3.28Š|
| 129 | F | 87.1 | Confident | 85.5 | Confident | 147 Ų | 147 | 127.5 Ų | 127.5 | 65% | 0.645 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 148.6 | 174.1 | -66.8 | -78.1 | 0 | 0 | 0 | 110.7 | R127 L134 | R127-F129 PolarHBondContact O-N 3.5Å; F129-L134 HydrophobicContact CB-CD1 4.48Å; F129-L134 HydrophobicContact CB-CD2 3.85Å; F129-L134 HydrophobicContact CB-CG 4.05Å; F129-L134 HydrophobicContact CD2-CD2 4.17Å; F129-L134 HydrophobicContact CG-CD2 4.21Å |
| 130 | A | 90.9 | Very high | 85.7 | Confident | 43 Ų | 43 | 131.8 Ų | 131.8 | 36% | 0.355 | 67% | 0.673 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 141.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | S132 Q133 | A130-S132 PolarHBondContact O-N 3.41Å; A130-S132 VanDerWaalsContact O-N 3.12Å; A130-Q133 HydrophobicContact CB-CG 4.23Å; A130-Q133 WeakPolarHBondContact O-CB 3.3Å; A130-Q133 PolarHBondContact O-N 3.4Å |
| 131 | P | 90 | Very high | 85.9 | Confident | 98 Ų | 98 | 136.1 Ų | 136.1 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -52.2 | -39.7 | -177 | -30.1 | 36 | 0 | 0 | 0 | 114 | Q133 L134 D135 | P131-Q133 PolarHBondContact O-N 2.97Å; P131-L134 WeakPolarHBondContact O-CB 3.47Å; P131-L134 PolarHBondContact O-N 3.24Å; P131-D135 PolarHBondContact O-N 3.44Å |
| 132 | S | 91 | Very high | 86.4 | Confident | 68 Ų | 68 | 134.8 Ų | 134.8 | 48% | 0.476 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -60 | -29.2 | 176.2 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | A130 H136 | A130-S132 PolarHBondContact O-N 3.41Å; A130-S132 VanDerWaalsContact O-N 3.12Å; S132-H136 PolarHBondContact O-CD2 2.98Å; S132-H136 PolarHBondContact O-N 3.35Å |
| 133 | Q | 91.1 | Very high | 87.3 | Confident | 109 Ų | 109 | 127.1 Ų | 127.1 | 51% | 0.509 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -71.5 | -37 | 175.1 | -62.2 | 178 | -56 | 0 | 0 | 111.2 | A130 P131 A137 | A130-Q133 HydrophobicContact CB-CG 4.23Å; A130-Q133 WeakPolarHBondContact O-CB 3.3Å; A130-Q133 PolarHBondContact O-N 3.4Å; P131-Q133 PolarHBondContact O-N 2.97Å; Q133-A137 VanDerWaalsContact O-CB 3.27Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.15Å |
| 134 | L | 92.4 | Very high | 88.1 | Confident | 70 Ų | 70 | 129.7 Ų | 129.7 | 37% | 0.366 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -71.2 | -44.5 | 176.4 | -55.9 | 173.5 | 0 | 0 | 0 | 110.4 | F129 P131 H136 A137 F138 | F129-L134 HydrophobicContact CB-CD1 4.48Å; F129-L134 HydrophobicContact CB-CD2 3.85Å; F129-L134 HydrophobicContact CB-CG 4.05Å; F129-L134 HydrophobicContact CD2-CD2 4.17Å; F129-L134 HydrophobicContact CG-CD2 4.21Å; P131-L134 WeakPolarHBondContact O-CB 3.47Å; P131-L134 PolarHBondContact O-N 3.24Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-N 3.39Å; L134-A137 PolarHBondContact O-N 3.17Å; L134-F138 HydrophobicContact CB-CD2 4.15Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE2 3.83Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.93Å |
| 135 | D | 90.6 | Very high | 88.7 | Confident | 101 Ų | 101 | 125.6 Ų | 125.6 | 54% | 0.54 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -55.8 | -40.7 | 179.3 | -72.3 | -20.3 | 0 | 0 | 0 | 112.5 | P131 R139 | P131-D135 PolarHBondContact O-N 3.44Å; D135-R139 WeakPolarHBondContact O-CD 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å |
| 136 | H | 88.3 | Confident | 89.1 | Confident | 145 Ų | 145 | 120 Ų | 120 | 67% | 0.671 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -77.9 | -32.4 | 176.1 | -70 | -62.4 | 0 | 0 | 0 | 113.2 | S132 L134 | S132-H136 PolarHBondContact O-CD2 2.98Å; S132-H136 PolarHBondContact O-N 3.35Å; L134-H136 VanDerWaalsContact C-N 3.28Å; L134-H136 PolarHBondContact O-N 3.39Å |
| 137 | A | 88.9 | Confident | 89.4 | Confident | 76 Ų | 76 | 120.5 Ų | 120.5 | 63% | 0.628 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.7 | -32.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q133 L134 | Q133-A137 VanDerWaalsContact O-CB 3.27Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.15Å; L134-A137 PolarHBondContact O-N 3.17Å |
| 138 | F | 90.4 | Very high | 89.3 | Confident | 154 Ų | 154 | 116.1 Ų | 116.1 | 68% | 0.675 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -99.8 | 6.5 | -174.8 | -68.7 | -73.4 | 0 | 0 | 0 | 114.7 | L134 L140 | L134-F138 HydrophobicContact CB-CD2 4.15Å; L134-F138 HydrophobicContact CB-CE2 4.37Å; L134-F138 HydrophobicContact CD2-CD2 4.45Å; L134-F138 HydrophobicContact CD2-CE2 3.83Å; L134-F138 WeakPolarHBondContact O-CD2 3.48Å; L134-F138 PolarHBondContact O-N 2.93Å; F138-L140 PolarHBondContact O-N 2.72Å |
| 139 | R | 90.3 | Very high | 89.2 | Confident | 185 Ų | 185 | 116.4 Ų | 116.4 | 70% | 0.698 | 62% | 0.621 | S | S | * | * | | | trans | -76.6 | 90.9 | 176.1 | -82.9 | 166.3 | 86.1 | 148.7 | 8.6 | 111.5 | D135 | D135-R139 WeakPolarHBondContact O-CD 3.26Å; D135-R139 WeakPolarHBondContact O-CG 3.43Å |
| 140 | L | 88.1 | Confident | 89.1 | Confident | 165 Ų | 165 | 111.5 Ų | 111.5 | 86% | 0.864 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -64 | 136.2 | 171 | -56.8 | -179.8 | 0 | 0 | 0 | 111 | F138 | F138-L140 PolarHBondContact O-N 2.72Š|
| 141 | H | 88.5 | Confident | 88.7 | Confident | 177 Ų | 177 | 112.9 Ų | 112.9 | 82% | 0.819 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 143.8 | 166.8 | -67.4 | -66.6 | 0 | 0 | 0 | 110.1 | G143 | H141-G143 PolarHBondContact O-N 2.76Š|
| 142 | P | 90.1 | Very high | 88.2 | Confident | 132 Ų | 132 | 111.7 Ų | 111.7 | 86% | 0.857 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -64.7 | 127.3 | 175.4 | 27.5 | -34.1 | 0 | 0 | 0 | 110.3 | | |
| 143 | G | 91.6 | Very high | 87.6 | Confident | 63 Ų | 63 | 115.8 Ų | 115.8 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | | | trans | -176.6 | 166.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H141 | H141-G143 PolarHBondContact O-N 2.76Š|
| 144 | P | 89.5 | Confident | 86.7 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 83% | 0.831 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 141 | 172 | 29.2 | -34 | 0 | 0 | 0 | 110.3 | | |
| 145 | L | 87.9 | Confident | 85.4 | Confident | 95 Ų | 95 | 113.5 Ų | 113.5 | 50% | 0.497 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 133.9 | 172.1 | -174.7 | 71.4 | 0 | 0 | 0 | 109.5 | A150 F153 | L145-A150 HydrophobicContact CD2-CB 4.46Å; L145-F153 HydrophobicContact CD2-CD2 3.71Å; L145-F153 HydrophobicContact CD2-CE2 4.08Å |
| 146 | P | 89.6 | Confident | 83.9 | Confident | 65 Ų | 65 | 110.9 Ų | 110.9 | 42% | 0.422 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 142.9 | 176.2 | -25.2 | 33.8 | 0 | 0 | 0 | 112.2 | E148 Y149 A150 | P146-E148 HydrophobicContact CB-CG 4.14Å; P146-E148 PolarHBondContact O-N 3.42Å; P146-Y149 HydrophobicContact CB-CD2 3.87Å; P146-Y149 HydrophobicContact CB-CE2 4.24Å; P146-Y149 HydrophobicContact CG-CD2 4.03Å; P146-Y149 HydrophobicContact CG-CE2 4.3Å; P146-Y149 PolarHBondContact O-N 2.77Å; P146-A150 PolarHBondContact O-N 2.94Å |
| 147 | Q | 88.3 | Confident | 82.4 | Confident | 179 Ų | 179 | 109.7 Ų | 109.7 | 84% | 0.836 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.9 | -31.2 | -169.3 | -173 | 174 | 3.9 | 0 | 0 | 113.4 | A150 | Q147-A150 PolarHBondContact O-N 3Å |
| 148 | E | 84.9 | Confident | 80.9 | Confident | 126 Ų | 126 | 110.6 Ų | 110.6 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -56.8 | -50.4 | 173 | 59.9 | -157.3 | -161.7 | 0 | 0 | 112 | P146 S151 | P146-E148 HydrophobicContact CB-CG 4.14Å; P146-E148 PolarHBondContact O-N 3.42Å; E148-S151 PolarHBondContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.05Å |
| 149 | Y | 84.2 | Confident | 79.3 | Confident | 119 Ų | 119 | 112.1 Ų | 112.1 | 47% | 0.467 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -75.6 | -28.2 | 178.4 | -53.2 | -62.5 | 0 | 0 | 0 | 113.1 | P146 S151 L152 F153 | P146-Y149 HydrophobicContact CB-CD2 3.87Å; P146-Y149 HydrophobicContact CB-CE2 4.24Å; P146-Y149 HydrophobicContact CG-CD2 4.03Å; P146-Y149 HydrophobicContact CG-CE2 4.3Å; P146-Y149 PolarHBondContact O-N 2.77Å; Y149-S151 PolarHBondContact O-N 2.88Å; Y149-S151 VanDerWaalsContact O-N 3.14Å; Y149-L152 HydrophobicContact CD1-CD1 4.11Å; Y149-L152 WeakPolarHBondContact O-CB 3.14Å; Y149-L152 PolarHBondContact O-N 3.24Å; Y149-F153 VanDerWaalsContact O-CD2 3.3Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å |
| 150 | A | 85.7 | Confident | 77.4 | Confident | 43 Ų | 43 | 110.9 Ų | 110.9 | 36% | 0.355 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -56.5 | -30.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L145 P146 Q147 L152 A154 | L145-A150 HydrophobicContact CD2-CB 4.46Å; P146-A150 PolarHBondContact O-N 2.94Å; Q147-A150 PolarHBondContact O-N 3Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.06Å; A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.48Å |
| 151 | S | 81.6 | Confident | 75.6 | Confident | 73 Ų | 73 | 109.9 Ų | 109.9 | 51% | 0.51 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69 | -26 | 176.1 | 75.4 | 0 | 0 | 0 | 0 | 114.6 | E148 Y149 | E148-S151 PolarHBondContact O-N 3.12Å; E148-S151 PolarHBondContact O-OG 3.05Å; Y149-S151 PolarHBondContact O-N 2.88Å; Y149-S151 VanDerWaalsContact O-N 3.14Å |
| 152 | L | 78.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 109.6 Ų | 109.6 | 38% | 0.377 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -76.5 | -37.5 | 179.5 | -62.5 | 171.1 | 0 | 0 | 0 | 111.9 | G99 N100 Y149 A150 | G99-L152 CarbonylContact C-O 3.54Å; G99-L152 WeakPolarHBondContact CA-O 3.4Å; N100-L152 PolarHBondContact N-O 3.06Å; Y149-L152 HydrophobicContact CD1-CD1 4.11Å; Y149-L152 WeakPolarHBondContact O-CB 3.14Å; Y149-L152 PolarHBondContact O-N 3.24Å; A150-L152 VanDerWaalsContact C-N 3.34Å; A150-L152 PolarHBondContact O-N 3.06Å |
| 153 | F | 78.7 | Confident | 71.4 | Confident | 155 Ų | 155 | 114 Ų | 114 | 68% | 0.68 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -89.3 | -15.8 | 179.5 | -60.8 | -74.7 | 0 | 0 | 0 | 113.6 | L145 Y149 A155 | L145-F153 HydrophobicContact CD2-CD2 3.71Å; L145-F153 HydrophobicContact CD2-CE2 4.08Å; Y149-F153 VanDerWaalsContact O-CD2 3.3Å; Y149-F153 WeakPolarHBondContact O-CD2 3.48Å; F153-A155 PolarHBondContact O-N 3.05Å |
| 154 | A | 73 | Confident | 69 | Low | 58 Ų | 58 | 115 Ų | 115 | 48% | 0.479 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -57.6 | 113.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | A150 A156 | A150-A154 WeakPolarHBondContact O-CB 3.43Å; A150-A154 PolarHBondContact O-N 3.48Å; A154-A156 PolarHBondContact O-N 2.88Å |
| 155 | A | 63.8 | Low | 67.1 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | | | trans | -54.6 | 128.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109 | F153 | F153-A155 PolarHBondContact O-N 3.05Š|
| 156 | A | 59.5 | Low | 65.3 | Low | 46 Ų | 46 | 119.1 Ų | 119.1 | 38% | 0.38 | 63% | 0.633 | S | S | . | * | | | trans | -49 | 128.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | A154 S158 | A154-A156 PolarHBondContact O-N 2.88Å; A156-S158 PolarHBondContact O-N 3Å |
| 157 | P | 57.5 | Low | 63 | Low | 119 Ų | 119 | 123.4 Ų | 123.4 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | | | trans | -57 | 111.6 | -164.9 | 20 | -32.7 | 0 | 0 | 0 | 109.4 | K159 | P157-K159 PolarHBondContact O-N 2.98Š|
| 158 | S | 57.7 | Low | 61 | Low | 96 Ų | 96 | 123.4 Ų | 123.4 | 67% | 0.671 | 65% | 0.652 | S | S | * | * | | | trans | -58.6 | 110.3 | -171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | A156 H160 | A156-S158 PolarHBondContact O-N 3Å; S158-H160 PolarHBondContact O-N 3.1Å |
| 159 | K | 56.1 | Low | 59.1 | Low | 186 Ų | 186 | 126.8 Ų | 126.8 | 81% | 0.809 | 67% | 0.668 | S | S | * | * | | | trans | -73 | 58.5 | 170 | -64.3 | 173.2 | -172.9 | 162.4 | 0 | 108 | P157 I161 | P157-K159 PolarHBondContact O-N 2.98Å; K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.23Å |
| 160 | H | 49.9 | Very low | 56.9 | Low | 158 Ų | 158 | 129.7 Ų | 129.7 | 73% | 0.731 | 69% | 0.686 | S | S | * | * | | | trans | -70.5 | 92.2 | 179.8 | -144.9 | -75.7 | 0 | 0 | 0 | 107.3 | S158 H162 | S158-H160 PolarHBondContact O-N 3.1Å; H160-H162 PolarHBondContact O-N 2.82Å |
| 161 | I | 50.3 | Low | 54.6 | Low | 145 Ų | 145 | 135.5 Ų | 135.5 | 74% | 0.744 | 71% | 0.71 | S | S | * | * | | | trans | -55.2 | 108.9 | 170.8 | -65 | 173.3 | 0 | 0 | 0 | 105.6 | K159 R163 | K159-I161 VanDerWaalsContact C-N 3.28Å; K159-I161 PolarHBondContact O-N 3.23Å; I161-R163 PolarHBondContact O-N 3.03Å |
| 162 | H | 45.7 | Very low | 52.7 | Low | 171 Ų | 171 | 141.3 Ų | 141.3 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | | | trans | -71.3 | 80.9 | 178.4 | -153.2 | -87.1 | 0 | 0 | 0 | 107.7 | H160 S164 | H160-H162 PolarHBondContact O-N 2.82Å; H162-S164 PolarHBondContact O-N 3.17Å |
| 163 | R | 44.6 | Very low | 50.7 | Low | 225 Ų | 225 | 142 Ų | 142 | 85% | 0.849 | 76% | 0.755 | S | S | * | * | | | trans | -69.9 | 86.3 | 175.5 | -152.2 | -179.8 | -155.6 | -93.4 | 4.1 | 106.2 | I161 V165 | I161-R163 PolarHBondContact O-N 3.03Å; R163-V165 PolarHBondContact O-N 3.09Å |
| 164 | S | 42.4 | Very low | 49 | Very low | 82 Ų | 82 | 139.5 Ų | 139.5 | 57% | 0.573 | 76% | 0.757 | S | S | * | * | | | trans | -58.6 | 103.8 | -175 | 50.4 | 0 | 0 | 0 | 0 | 110.1 | H162 Q166 | H162-S164 PolarHBondContact O-N 3.17Å; S164-Q166 PolarHBondContact O-N 3.08Å |
| 165 | V | 49.9 | Very low | 47.5 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -75.5 | 73.7 | 164.9 | -174.7 | 0 | 0 | 0 | 0 | 107.1 | R163 | R163-V165 PolarHBondContact O-N 3.09Š|
| 166 | Q | 48.8 | Very low | 46.4 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -133.8 | 49.7 | 174.6 | -83.6 | -169.5 | -28.1 | 0 | 0 | 109.8 | S164 | S164-Q166 PolarHBondContact O-N 3.08Š|
| 167 | D | 42.2 | Very low | 45.6 | Very low | 155 Ų | 155 | 149.7 Ų | 149.7 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -147.3 | 47 | 169.8 | -95.1 | -36.4 | 0 | 0 | 0 | 110.3 | | |
| 168 | Q | 46.6 | Very low | 45 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -153.4 | 48.4 | 167.1 | -156.5 | 171.8 | 99.8 | 0 | 0 | 112 | | |
| 169 | Q | 43.3 | Very low | 44.3 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | | | trans | -158.8 | 52.3 | 171.5 | -119 | 164.8 | 87.2 | 0 | 0 | 111.5 | | |
| 170 | Q | 38.7 | Very low | 43.7 | Very low | 181 Ų | 181 | 152.3 Ų | 152.3 | 85% | 0.846 | 83% | 0.826 | S | S | * | * | | | trans | -122.8 | 81.1 | 163.8 | -83.1 | -168.1 | 64.8 | 0 | 0 | 108.9 | | |
| 171 | L | 38.5 | Very low | 43.8 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -171.9 | 135.8 | 162.9 | -100.7 | 156.4 | 0 | 0 | 0 | 106.1 | | |
| 172 | M | 40.3 | Very low | 43.8 | Very low | 195 Ų | 195 | 150.3 Ų | 150.3 | 96% | 0.961 | 83% | 0.833 | S | S | * | * | | | trans | 72.4 | 105.9 | -176.1 | -47.1 | -166.1 | 74.4 | 0 | 0 | 116.1 | | |
| 173 | G | 37.8 | Very low | 43.8 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 88% | 0.876 | 83% | 0.829 | S | S | * | * | | | trans | 174.4 | 87.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 174 | S | 43.3 | Very low | 43.9 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | | | trans | -117.8 | 144 | 175.7 | 63.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 175 | N | 40.4 | Very low | 43.9 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 90% | 0.898 | 83% | 0.834 | S | S | * | * | | | trans | 65.1 | 127.3 | 156.1 | -56.6 | -10.6 | 0 | 0 | 0 | 119 | | |
| 176 | G | 40.9 | Very low | 43.9 | Very low | 75 Ų | 75 | 141.9 Ų | 141.9 | 77% | 0.773 | 83% | 0.832 | S | S | * | * | | | trans | 164.8 | 38.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 177 | T | 43.5 | Very low | 43.7 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 91% | 0.908 | 83% | 0.831 | S | S | * | * | | | trans | -23.9 | 131.5 | 161.7 | 48.9 | 0 | 0 | 0 | 0 | 117.6 | | |
| 178 | G | 43.3 | Very low | 43.5 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 83% | 0.827 | S | S | * | * | | | trans | -175.6 | 106.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 179 | T | 43.6 | Very low | 43.4 | Very low | 136 Ų | 136 | 135.7 Ų | 135.7 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | | | trans | -110.2 | 142.7 | -167.7 | 23.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 180 | R | 43.3 | Very low | 43.1 | Very low | 240 Ų | 240 | 132 Ų | 132 | 91% | 0.906 | 83% | 0.829 | S | S | * | * | | | trans | 172.2 | 103.6 | 139.7 | -96.3 | 164.4 | -170.5 | -113.1 | 2.9 | 109.1 | | |
| 181 | V | 51.9 | Low | 43.4 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 84% | 0.842 | 83% | 0.826 | S | S | * | * | | | | 96.4 | 138 | 75.4 | 160.7 | 0 | 0 | 0 | 0 | 112 | | |
| 182 | P | 51.8 | Low | 43.7 | Very low | 122 Ų | 122 | 126.5 Ų | 126.5 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | | | trans | -126 | 177.9 | -151 | 41.7 | -25.9 | 0 | 0 | 0 | 116.3 | | |
| 183 | A | 44.5 | Very low | 43.7 | Very low | 86 Ų | 86 | 119.6 Ų | 119.6 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | | | trans | -148 | 117.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 184 | T | 46.1 | Very low | 43.8 | Very low | 142 Ų | 142 | 120.5 Ų | 120.5 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | | 51.3 | 131.1 | 92.4 | 32.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 185 | A | 42.3 | Very low | 44.3 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 65% | 0.645 | 80% | 0.802 | S | S | * | * | | | cis | -169.2 | 158.1 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 186 | V | 49.9 | Very low | 44.2 | Very low | 134 Ų | 134 | 125 Ų | 125 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | | | trans | 73.4 | 142.9 | 137.6 | 169.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 187 | P | 45.6 | Very low | 44.7 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | cis | -142.9 | 162.9 | -37.1 | 41.8 | -23.2 | 0 | 0 | 0 | 116.5 | | |
| 188 | G | 37.6 | Very low | 44.7 | Very low | 72 Ų | 72 | 136.1 Ų | 136.1 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 82.1 | 105.1 | 132.6 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 189 | L | 45.7 | Very low | 45 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 97% | 0.969 | 81% | 0.806 | S | S | * | * | | | | -153.3 | 125.7 | 116 | -150.7 | 74.1 | 0 | 0 | 0 | 110.2 | | |
| 190 | S | 36.1 | Very low | 45.4 | Very low | 120 Ų | 120 | 148 Ų | 148 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | -142 | 132.6 | -178.6 | 54 | 0 | 0 | 0 | 0 | 112.2 | | |
| 191 | S | 45.9 | Very low | 45.6 | Very low | 113 Ų | 113 | 146.9 Ų | 146.9 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | | | trans | -160.2 | 102.4 | 161 | -166.4 | 0 | 0 | 0 | 0 | 106.4 | | |
| 192 | S | 44.9 | Very low | 45.6 | Very low | 116 Ų | 116 | 148.5 Ų | 148.5 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | | 74.7 | 124.8 | 73.3 | -165.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 193 | G | 39.6 | Very low | 45.2 | Very low | 51 Ų | 51 | 148.6 Ų | 148.6 | 53% | 0.526 | 79% | 0.787 | S | S | . | * | | | cis | -156.1 | 141.7 | 7.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 194 | S | 40.2 | Very low | 45.8 | Very low | 104 Ų | 104 | 151.2 Ų | 151.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | trans | -85.5 | 119.1 | 163.7 | 177 | 0 | 0 | 0 | 0 | 109 | H196 | S194-H196 PolarHBondContact O-N 3Š|
| 195 | F | 52.6 | Low | 45.7 | Very low | 190 Ų | 190 | 152.5 Ų | 152.5 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | trans | -94.8 | 81.7 | 176.8 | -72.1 | -72.4 | 0 | 0 | 0 | 111.8 | R197 | F195-R197 PolarHBondContact O-N 2.92Š|
| 196 | H | 40.1 | Very low | 46.1 | Very low | 176 Ų | 176 | 160.2 Ų | 160.2 | 82% | 0.815 | 80% | 0.803 | S | S | * | * | | | trans | -77.3 | 105.6 | 153.9 | -76 | -11 | 0 | 0 | 0 | 109.9 | S194 | S194-H196 PolarHBondContact O-N 3Š|
| 197 | R | 49.5 | Very low | 45.8 | Very low | 231 Ų | 231 | 157.1 Ų | 157.1 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | | | trans | -135.4 | 98.4 | 160.1 | -85.5 | -163.5 | 176.6 | -163.8 | 0.9 | 112.8 | F195 | F195-R197 PolarHBondContact O-N 2.92Š|
| 198 | R | 43.5 | Very low | 45.5 | Very low | 224 Ų | 224 | 156.2 Ų | 156.2 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | | | trans | 22.2 | 103.9 | 138.8 | -76.2 | 174.4 | 155.3 | -179.9 | -7.9 | 116.2 | R200 | R198-R200 PolarHBondContact O-N 2.81Š|
| 199 | R | 49.6 | Very low | 46 | Very low | 258 Ų | 258 | 161 Ų | 161 | 97% | 0.974 | 81% | 0.808 | S | S | * | * | | | trans | -60.2 | 104.2 | 148 | -96.8 | -175.3 | 172.9 | -171.6 | -2 | 108.2 | | |
| 200 | R | 52.8 | Low | 46 | Very low | 209 Ų | 209 | 156.9 Ų | 156.9 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -76.5 | 120.1 | 157.5 | -82.2 | -171.7 | 169.2 | -178.3 | -3.2 | 107.5 | R198 | R198-R200 PolarHBondContact O-N 2.81Š|
| 201 | R | 47.3 | Very low | 46.3 | Very low | 217 Ų | 217 | 157.1 Ų | 157.1 | 82% | 0.819 | 80% | 0.802 | S | S | * | * | | | trans | -57 | 137.6 | 155.7 | -76.4 | 179.9 | 166.3 | -157.6 | -1.6 | 107.4 | | |
| 202 | H | 53 | Low | 46.2 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 80% | 0.801 | 80% | 0.795 | S | S | * | * | | | trans | -105.7 | 108.3 | 158.5 | -117 | -78.2 | 0 | 0 | 0 | 107.6 | | |
| 203 | E | 42.6 | Very low | 46.2 | Very low | 123 Ų | 123 | 154.1 Ų | 154.1 | 58% | 0.575 | 79% | 0.791 | S | S | * | * | | | trans | -53.1 | 131.2 | 165.4 | -133.4 | 74.3 | -170.5 | 0 | 0 | 109 | | |
| 204 | V | 56.9 | Low | 46.4 | Very low | 142 Ų | 142 | 158.8 Ų | 158.8 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -106.7 | 76.8 | 165 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 205 | H | 43.4 | Very low | 46.7 | Very low | 168 Ų | 168 | 158.9 Ų | 158.9 | 78% | 0.778 | 80% | 0.804 | S | S | * | * | | | trans | -81.5 | 115.2 | 163.5 | -89.6 | -59.4 | 0 | 0 | 0 | 109.6 | | |
| 206 | R | 51.1 | Low | 46.3 | Very low | 241 Ų | 241 | 154.7 Ų | 154.7 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | | | trans | -137.2 | 136.3 | 147.2 | -129.3 | 177.8 | -177.7 | -179.2 | -0.3 | 107.3 | | |
| 207 | G | 44.5 | Very low | 46.6 | Very low | 69 Ų | 69 | 151.5 Ų | 151.5 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | -59.1 | 153.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 208 | A | 39.2 | Very low | 46.6 | Very low | 98 Ų | 98 | 145.7 Ų | 145.7 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | cis | 57.4 | 95.9 | 44.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 209 | L | 47.5 | Very low | 46.9 | Very low | 174 Ų | 174 | 143.4 Ų | 143.4 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | | -179.6 | 141.5 | 122.6 | -91.5 | 176.2 | 0 | 0 | 0 | 110.1 | | |
| 210 | A | 45.1 | Very low | 46.6 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 58.4 | 127.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 211 | S | 44.2 | Very low | 46.4 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | cis | 101.9 | 128.2 | 31.3 | -175.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 212 | G | 43.4 | Very low | 46.4 | Very low | 63 Ų | 63 | 126.9 Ų | 126.9 | 65% | 0.649 | 79% | 0.786 | S | S | * | * | | | trans | 96.7 | 107.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 213 | S | 44.9 | Very low | 45.9 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | | 90.5 | 114.2 | 53.7 | 70.8 | 0 | 0 | 0 | 0 | 113.4 | | |
| 214 | D | 43.2 | Very low | 46.2 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | | | trans | 82.4 | 113.5 | 136.7 | -56.4 | -9 | 0 | 0 | 0 | 121.9 | | |
| 215 | S | 45.7 | Very low | 45.4 | Very low | 106 Ų | 106 | 120.9 Ų | 120.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | | | | 97.3 | 127.7 | 123.4 | -64.7 | 0 | 0 | 0 | 0 | 123.2 | | |
| 216 | S | 44.9 | Very low | 45.1 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | 76 | 105.2 | 133.6 | 59.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 217 | S | 45.7 | Very low | 44.8 | Very low | 109 Ų | 109 | 112.7 Ų | 112.7 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | | | | 55.5 | 121.4 | 124.3 | 66.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 218 | S | 51.2 | Low | 44.6 | Very low | 110 Ų | 110 | 113 Ų | 113 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | | | | 168.2 | 118 | 120 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 219 | I | 47.9 | Very low | 44.8 | Very low | 176 Ų | 176 | 114.3 Ų | 114.3 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | | | | 59.8 | 106.6 | 96.4 | -59.6 | 173.6 | 0 | 0 | 0 | 114.2 | | |
| 220 | G | 43.9 | Very low | 44.2 | Very low | 75 Ų | 75 | 109.5 Ų | 109.5 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | | | trans | -177.9 | 126.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 221 | V | 48.8 | Very low | 44 | Very low | 135 Ų | 135 | 112.8 Ų | 112.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -112 | -175.6 | -165.8 | -146.2 | 0 | 0 | 0 | 0 | 111 | | |
| 222 | P | 47.1 | Very low | 43.7 | Very low | 127 Ų | 127 | 113.1 Ų | 113.1 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | | | | -106.5 | 167.4 | -103.9 | 39.2 | -25.7 | 0 | 0 | 0 | 115.8 | | |
| 223 | G | 42.1 | Very low | 43.4 | Very low | 77 Ų | 77 | 115.2 Ų | 115.2 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -151.2 | 89 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 224 | V | 48.9 | Very low | 43 | Very low | 155 Ų | 155 | 114.7 Ų | 114.7 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | trans | 14.2 | 123.2 | 153.3 | -172.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 225 | G | 40.6 | Very low | 42.9 | Very low | 80 Ų | 80 | 113 Ų | 113 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | trans | 113.1 | 140.1 | 135.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 226 | G | 37.2 | Very low | 42.9 | Very low | 81 Ų | 81 | 113.7 Ų | 113.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | | | trans | 128.6 | 73.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 227 | V | 45.8 | Very low | 42.6 | Very low | 156 Ų | 156 | 113.1 Ų | 113.1 | 95% | 0.945 | 81% | 0.814 | S | S | * | * | | | trans | -44.4 | 147.6 | 160.8 | -88.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 228 | G | 39 | Very low | 42.3 | Very low | 74 Ų | 74 | 111.7 Ų | 111.7 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | trans | 146.7 | 73.7 | 150.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 229 | S | 44.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 114.9 Ų | 114.9 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | 21.3 | 112.3 | 150.2 | -52.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 230 | G | 33.7 | Very low | 41.3 | Very low | 73 Ų | 73 | 115.8 Ų | 115.8 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | | | trans | -77.6 | 161.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 231 | N | 41 | Very low | 41 | Very low | 165 Ų | 165 | 118.1 Ų | 118.1 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -152.8 | 104.8 | 145.4 | -125 | 7.4 | 0 | 0 | 0 | 112.3 | | |
| 232 | V | 39.2 | Very low | 40.2 | Very low | 133 Ų | 133 | 115 Ų | 115 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 160.1 | 149.8 | -88.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 233 | S | 36.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | cis | -159.8 | 150.6 | 0.1 | 165.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 234 | A | 37.4 | Very low | 40 | Very low | 91 Ų | 91 | 116 Ų | 116 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | | | trans | 26.9 | 120.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 235 | S | 40.7 | Very low | 39.6 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -74 | 165.1 | 144.8 | -51.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 236 | P | 45.7 | Very low | 39.5 | Very low | 121 Ų | 121 | 115.5 Ų | 115.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | | | | -135.7 | 146.8 | 89.4 | 14.1 | 9 | 0 | 0 | 0 | 113.1 | | |
| 237 | A | 39 | Very low | 39.6 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | | 53 | 136 | 81.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 238 | S | 39.1 | Very low | 39.6 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 56% | 0.559 | 79% | 0.785 | S | S | * | * | | | cis | -172.9 | 160.7 | -5.6 | 31.9 | 0 | 0 | 0 | 0 | 107.5 | | |
| 239 | F | 38.2 | Very low | 39.7 | Very low | 176 Ų | 176 | 126 Ų | 126 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | | | | 152.1 | 157.5 | 101.9 | -83.1 | -66.8 | 0 | 0 | 0 | 110.8 | | |
| 240 | F | 39.9 | Very low | 39.3 | Very low | 195 Ų | 195 | 127.9 Ų | 127.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | trans | 62.4 | 144.9 | 148.2 | -92.3 | -134.4 | 0 | 0 | 0 | 118.7 | | |
| 241 | T | 36.5 | Very low | 39.5 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 77% | 0.767 | 79% | 0.791 | S | S | * | * | | | cis | -137.8 | -176.2 | -15.6 | 51.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 242 | G | 32.8 | Very low | 39.2 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | cis | 137.7 | 135.2 | 39.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 243 | A | 39.6 | Very low | 39.3 | Very low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 161.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 244 | P | 44.3 | Very low | 39.2 | Very low | 128 Ų | 128 | 127.7 Ų | 127.7 | 83% | 0.831 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 136.5 | 148.8 | 33.5 | -26.6 | 0 | 0 | 0 | 111 | | |
| 245 | T | 41.6 | Very low | 39.4 | Very low | 139 Ų | 139 | 130.4 Ų | 130.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 161.9 | -179.3 | -49 | 0 | 0 | 0 | 0 | 111.1 | | |
| 246 | A | 39.3 | Very low | 39.2 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 153.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 247 | Y | 38.9 | Very low | 39.1 | Very low | 228 Ų | 228 | 130.9 Ų | 130.9 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 139.1 | 168.4 | -64.4 | -95.7 | 0 | 0 | 0 | 112.7 | | |
| 248 | P | 46 | Very low | 39.1 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -95 | 152.4 | 151.9 | 34.5 | -28.7 | 0 | 0 | 0 | 111.8 | | |
| 249 | Q | 40.3 | Very low | 39.5 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 139.9 | -170.8 | 173.2 | -179.5 | -7.4 | 0 | 0 | 112.9 | | |
| 250 | L | 36.1 | Very low | 39.6 | Very low | 167 Ų | 167 | 133.5 Ų | 133.5 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | 26.6 | 124.6 | 152.1 | -60.2 | 167.4 | 0 | 0 | 0 | 120.2 | | |
| 251 | G | 37.5 | Very low | 39.9 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | | | trans | -168.4 | 94.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 252 | A | 35.8 | Very low | 40.4 | Very low | 93 Ų | 93 | 133.3 Ų | 133.3 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | | | trans | -91.1 | 132.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 253 | V | 40.9 | Very low | 40.7 | Very low | 138 Ų | 138 | 134.8 Ų | 134.8 | 84% | 0.836 | 82% | 0.823 | S | S | * | * | | | trans | -141.4 | 142.9 | 156.7 | -170.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 254 | H | 34.4 | Very low | 41.1 | Very low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | | | trans | -91.1 | 147.1 | -169.4 | -45.3 | -93.9 | 0 | 0 | 0 | 111.9 | | |
| 255 | T | 41.7 | Very low | 41.2 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | | | trans | -143 | 110.1 | 156.7 | 2.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 256 | T | 36.7 | Very low | 41.4 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | | | trans | -82.8 | 126.1 | 174.9 | 48.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 257 | A | 43.5 | Very low | 41.5 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -129.8 | 107.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 258 | S | 38.6 | Very low | 41.5 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | | | trans | -82.9 | 130.1 | 174.2 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 259 | L | 48 | Very low | 41.5 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | | | trans | -123.2 | 103.7 | 163.1 | -77.2 | 173 | 0 | 0 | 0 | 108.8 | | |
| 260 | S | 39.2 | Very low | 41.5 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | | | trans | -80.8 | 124.6 | 171.6 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 261 | S | 46.8 | Very low | 42.1 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | | | trans | -134.8 | 136.6 | 171.6 | -73.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 262 | K | 46.3 | Very low | 42.2 | Very low | 202 Ų | 202 | 136.3 Ų | 136.3 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | | | trans | -82.3 | 151.2 | -159.6 | -69.1 | 167.8 | 178 | 173.2 | 0 | 113.5 | | |
| 263 | S | 40 | Very low | 42.6 | Very low | 100 Ų | 100 | 137.2 Ų | 137.2 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | -50 | 137.4 | 166.6 | 174.4 | 0 | 0 | 0 | 0 | 113 | | |
| 264 | M | 48.2 | Very low | 42.7 | Very low | 185 Ų | 185 | 135.9 Ų | 135.9 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | | | trans | -126.7 | 131.2 | 146.1 | -72.5 | -138.1 | 75.4 | 0 | 0 | 109.2 | | |
| 265 | V | 45.2 | Very low | 43.3 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | | | trans | -90.6 | 129.6 | 178.8 | 169.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 266 | S | 45.3 | Very low | 43.2 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | -164.5 | 130.6 | 147.1 | -92.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 267 | Q | 43 | Very low | 43.6 | Very low | 167 Ų | 167 | 134.7 Ų | 134.7 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | 71.2 | 120 | 146.1 | -60.1 | -175.2 | 19 | 0 | 0 | 120.1 | | |
| 268 | S | 38.9 | Very low | 43.5 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | | | trans | -87.9 | 132.8 | 177.6 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 269 | H | 45.7 | Very low | 43.9 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 78% | 0.778 | 80% | 0.801 | S | S | * | * | | | trans | -131.4 | 108.3 | 155.5 | -61.1 | -63.7 | 0 | 0 | 0 | 109.5 | | |
| 270 | T | 40.2 | Very low | 44 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -82.5 | 120.4 | 172.7 | 47.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 271 | L | 48 | Very low | 44.6 | Very low | 161 Ų | 161 | 133.5 Ų | 133.5 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | | | trans | -124.5 | 110.9 | 163.2 | -71.1 | 176.8 | 0 | 0 | 0 | 109 | | |
| 272 | S | 39.5 | Very low | 45.1 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -80.8 | 122.4 | 168.6 | -66.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 273 | S | 43.7 | Very low | 45.3 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -118.2 | 88.8 | 172.1 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | L275 | S273-L275 PolarHBondContact O-N 2.85Š|
| 274 | S | 43.5 | Very low | 46 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -76.3 | 111.7 | 172.4 | 51.1 | 0 | 0 | 0 | 0 | 110.3 | S276 | S274-S276 PolarHBondContact O-N 3.49Š|
| 275 | L | 47.9 | Very low | 45.9 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -87.1 | 92.1 | 170.2 | -73.6 | 170.6 | 0 | 0 | 0 | 109.9 | S273 | S273-L275 PolarHBondContact O-N 2.85Š|
| 276 | S | 39.8 | Very low | 45.8 | Very low | 101 Ų | 101 | 131.4 Ų | 131.4 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | | | trans | -82.1 | 124 | 169.6 | 50.5 | 0 | 0 | 0 | 0 | 110.8 | S274 | S274-S276 PolarHBondContact O-N 3.49Š|
| 277 | I | 43.6 | Very low | 45.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | | | trans | -77.3 | 126.7 | 174.3 | -61 | 166.7 | 0 | 0 | 0 | 109 | | |
| 278 | T | 41.4 | Very low | 46 | Very low | 130 Ų | 130 | 132.9 Ų | 132.9 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | | | trans | -124.5 | 97.7 | 166.7 | 46 | 0 | 0 | 0 | 0 | 110.4 | | |
| 279 | T | 47.2 | Very low | 46.1 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 85% | 0.847 | 81% | 0.805 | S | S | * | * | | | trans | -80.9 | 113.8 | 162.5 | 22.9 | 0 | 0 | 0 | 0 | 109.2 | | |
| 280 | S | 50.6 | Low | 46 | Very low | 119 Ų | 119 | 131 Ų | 131 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | | | trans | -99.2 | 125.7 | 169.2 | 47.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 281 | A | 52.3 | Low | 46.2 | Very low | 88 Ų | 88 | 132.8 Ų | 132.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | | | trans | -126.8 | 127.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 282 | P | 56.5 | Low | 46.2 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -92.6 | 110.5 | 174.3 | 32.8 | -28.1 | 0 | 0 | 0 | 110.4 | | |
| 283 | C | 51.1 | Low | 46.6 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 122.2 | 163.7 | -61.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 284 | T | 55.1 | Low | 46.8 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 158.9 | 178.4 | 39.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 285 | N | 45.6 | Very low | 46.8 | Very low | 162 Ų | 162 | 128.8 Ų | 128.8 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 155.4 | -158.1 | -79 | -29.5 | 0 | 0 | 0 | 116.8 | | |
| 286 | V | 42.4 | Very low | 46.9 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 145.5 | 165.4 | 178.2 | 0 | 0 | 0 | 0 | 111 | | |
| 287 | T | 45.9 | Very low | 47.4 | Very low | 122 Ų | 122 | 128.7 Ų | 128.7 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -131 | 114.9 | 156 | -61.7 | 0 | 0 | 0 | 0 | 109 | | |
| 288 | M | 46.1 | Very low | 47.8 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -138.4 | 133.4 | 166.8 | -86.4 | -69.8 | 141.2 | 0 | 0 | 107.7 | | |
| 289 | S | 40.8 | Very low | 48.2 | Very low | 96 Ų | 96 | 128.7 Ų | 128.7 | 67% | 0.671 | 77% | 0.768 | S | S | * | * | | | trans | -138.7 | 121.2 | -173.6 | 40.9 | 0 | 0 | 0 | 0 | 111 | | |
| 290 | N | 43.6 | Very low | 48.5 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | | | trans | -176.2 | 130.2 | 133.2 | -99.7 | -25.9 | 0 | 0 | 0 | 112.4 | | |
| 291 | Q | 45.1 | Very low | 48.8 | Very low | 168 Ų | 168 | 128.6 Ų | 128.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | | 49.2 | 135.2 | 129.4 | -61 | 178.3 | 61.4 | 0 | 0 | 119.2 | | |
| 292 | S | 47.7 | Very low | 48.5 | Very low | 94 Ų | 94 | 129.8 Ų | 129.8 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | cis | -171.6 | 162.4 | 10 | 45.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 293 | S | 48.7 | Very low | 47.9 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | | | trans | 62.1 | 143.1 | 155.6 | 42.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 294 | N | 47.3 | Very low | 47.6 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | cis | -161.4 | 151.4 | 4.3 | -106 | -11.9 | 0 | 0 | 0 | 112.3 | | |
| 295 | A | 43.9 | Very low | 47.3 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 65% | 0.653 | 75% | 0.753 | S | S | * | * | | | trans | 72.9 | 126 | 138.1 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 296 | L | 51 | Low | 47.3 | Very low | 152 Ų | 152 | 130.6 Ų | 130.6 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | trans | 71.8 | 140 | 148.4 | -55 | 157.1 | 0 | 0 | 0 | 117.3 | | |
| 297 | D | 50.1 | Low | 47.5 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | | | cis | -158.1 | 148.2 | 1.4 | -127.3 | -9.8 | 0 | 0 | 0 | 114 | | |
| 298 | N | 51.8 | Low | 47.7 | Very low | 132 Ų | 132 | 133.2 Ų | 133.2 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | 53.2 | 113 | 145.6 | -64.3 | -39.5 | 0 | 0 | 0 | 125.7 | | |
| 299 | N | 48.7 | Very low | 48 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | | | | 94 | 123.5 | 125.5 | -118 | -17.1 | 0 | 0 | 0 | 122.6 | | |
| 300 | P | 53.5 | Low | 48.4 | Very low | 114 Ų | 114 | 137.5 Ų | 137.5 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | | | trans | -113.5 | 168.2 | 174.4 | 41.5 | -32.6 | 0 | 0 | 0 | 114.9 | | |
| 301 | V | 56.8 | Low | 49.3 | Very low | 141 Ų | 141 | 136.9 Ų | 136.9 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | | | trans | -136.8 | 136.9 | 166.4 | 176.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 302 | T | 47.8 | Very low | 50.1 | Low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -53.7 | 154.4 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 115.8 | | |
| 303 | Q | 42.3 | Very low | 50.7 | Low | 174 Ų | 174 | 139.7 Ų | 139.7 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | | -165.5 | 137.6 | 63.5 | -80 | -173 | -17.8 | 0 | 0 | 112.3 | | |
| 304 | V | 44.9 | Very low | 51.4 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | | 56.4 | 122.1 | 101.8 | -160.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 305 | V | 49 | Very low | 51.8 | Low | 122 Ų | 122 | 139.9 Ų | 139.9 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | | | | 166.4 | 119.9 | 121.9 | 160.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 306 | N | 46 | Very low | 52.1 | Low | 147 Ų | 147 | 139.5 Ų | 139.5 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | 62.8 | 147.8 | 151.6 | -71.7 | -18.6 | 0 | 0 | 0 | 125.1 | | |
| 307 | H | 46.1 | Very low | 52.2 | Low | 188 Ų | 188 | 140.5 Ų | 140.5 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -102.1 | 151.6 | -169.7 | -53.5 | -93.3 | 0 | 0 | 0 | 112.9 | | |
| 308 | S | 50.7 | Low | 52.3 | Low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | | | trans | -124.2 | 116.6 | 176.1 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | | |
| 309 | K | 53.2 | Low | 52.5 | Low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | | | trans | 32.1 | 113.8 | 147.9 | -64.1 | -176.1 | 177 | -177.4 | 0 | 120.6 | | |
| 310 | L | 47.7 | Very low | 53 | Low | 170 Ų | 170 | 140.7 Ų | 140.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | | | trans | -44.2 | 141.2 | 150.5 | -168.9 | 74.7 | 0 | 0 | 0 | 113.2 | | |
| 311 | V | 63.6 | Low | 53.2 | Low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | | | trans | -137.1 | 133.2 | 170.8 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 312 | D | 61 | Low | 53 | Low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 79% | 0.792 | S | S | * | * | | | trans | -69.8 | 152.2 | -180 | -86.8 | -54.2 | 0 | 0 | 0 | 114.4 | | |
| 313 | H | 60 | Low | 53.8 | Low | 171 Ų | 171 | 138.1 Ų | 138.1 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | | | trans | -115.1 | 139.6 | 167.4 | -68.3 | -45.8 | 0 | 0 | 0 | 110.9 | | |
| 314 | P | 64.6 | Low | 53.9 | Low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | | | trans | -76 | 138.5 | -178.9 | 30.6 | -34.5 | 0 | 0 | 0 | 112.2 | | |
| 315 | P | 55.9 | Low | 54.3 | Low | 131 Ų | 131 | 138.1 Ų | 138.1 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -86.1 | 144.6 | 173.5 | 34.5 | -33.2 | 0 | 0 | 0 | 111.3 | | |
| 316 | G | 49.7 | Very low | 53.9 | Low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | | | trans | 159.3 | 48.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 317 | L | 52.3 | Low | 54 | Low | 172 Ų | 172 | 140.5 Ų | 140.5 | 90% | 0.901 | 81% | 0.805 | S | S | * | * | | | trans | -133.3 | 119.2 | 160.9 | -73.7 | 177.5 | 0 | 0 | 0 | 110 | P319 | L317-P319 WeakPolarHBondContact O-CD 3.42Š|
| 318 | I | 51.8 | Low | 54.2 | Low | 160 Ų | 160 | 139.3 Ų | 139.3 | 82% | 0.821 | 80% | 0.804 | S | S | * | * | | | trans | -102.8 | 111.4 | 178 | -58.3 | 171.5 | 0 | 0 | 0 | 108.2 | | |
| 319 | P | 57 | Low | 53.6 | Low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | -78.4 | 123.3 | 166.3 | 30.4 | -30.4 | 0 | 0 | 0 | 109.8 | L317 S321 | L317-P319 WeakPolarHBondContact O-CD 3.42Å; P319-S321 PolarHBondContact O-N 3.26Å |
| 320 | V | 58.8 | Low | 53.4 | Low | 143 Ų | 143 | 134 Ų | 134 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | -75.8 | 107.9 | 173.1 | 175.4 | 0 | 0 | 0 | 0 | 109 | | |
| 321 | S | 58.7 | Low | 53.1 | Low | 104 Ų | 104 | 131.4 Ų | 131.4 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 138 | 173.2 | -61 | 0 | 0 | 0 | 0 | 111 | P319 | P319-S321 PolarHBondContact O-N 3.26Š|
| 322 | A | 51.1 | Low | 52.6 | Low | 85 Ų | 85 | 133.5 Ų | 133.5 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 145.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 323 | P | 64.5 | Low | 51.7 | Low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 124.6 | 177.6 | 31.5 | -32.4 | 0 | 0 | 0 | 111.6 | | |
| 324 | H | 44.6 | Very low | 50.9 | Low | 170 Ų | 170 | 130.6 Ų | 130.6 | 79% | 0.787 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 124.9 | 161.8 | -71 | -80.4 | 0 | 0 | 0 | 109.7 | | |
| 325 | S | 54.7 | Low | 49.9 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 122.9 | 167.6 | 36.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 326 | H | 40 | Very low | 49.6 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 74% | 0.741 | 81% | 0.812 | S | S | * | * | | | trans | -132.4 | 129.1 | 169 | 35.9 | -91.8 | 0 | 0 | 0 | 108 | | |
| 327 | L | 47.8 | Very low | 49.3 | Very low | 159 Ų | 159 | 132.8 Ų | 132.8 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | | | trans | -141.1 | 125.4 | 179.6 | -125 | 137.3 | 0 | 0 | 0 | 109.2 | | |
| 328 | L | 50.1 | Low | 49.5 | Very low | 163 Ų | 163 | 130.2 Ų | 130.2 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | | | trans | -1.8 | 133.3 | 152.7 | -53 | 158.5 | 0 | 0 | 0 | 115 | | |
| 329 | G | 39 | Very low | 49.6 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | cis | 124 | 98.1 | 19.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 330 | S | 49.2 | Very low | 50 | Low | 130 Ų | 130 | 132 Ų | 132 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | | | trans | -149.7 | 116.4 | 175.1 | -67.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 331 | S | 41.8 | Very low | 50.8 | Low | 115 Ų | 115 | 130.3 Ų | 130.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -95.3 | 120.1 | -179 | 51.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 332 | I | 52.1 | Low | 51.8 | Low | 166 Ų | 166 | 130.9 Ų | 130.9 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | | | trans | -137 | 129.1 | 157.1 | -57.3 | -178.3 | 0 | 0 | 0 | 108.1 | | |
| 333 | S | 41.7 | Very low | 53.1 | Low | 113 Ų | 113 | 132.5 Ų | 132.5 | 79% | 0.79 | 82% | 0.821 | S | S | * | * | | | trans | -96.4 | 127.8 | -177.2 | -48.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 334 | T | 44.1 | Very low | 53.5 | Low | 148 Ų | 148 | 132 Ų | 132 | 91% | 0.908 | 82% | 0.819 | S | S | * | * | | | trans | -150.2 | 137.2 | 149.6 | 28.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 335 | S | 43.9 | Very low | 55 | Low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | | | trans | -100.5 | 130.8 | -172.9 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 336 | S | 49 | Very low | 55.4 | Low | 123 Ų | 123 | 131.8 Ų | 131.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | | | trans | -156.2 | 120.6 | 148.8 | 51.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 337 | S | 43.9 | Very low | 56.4 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | | | trans | -91.1 | 124.8 | -179 | 52 | 0 | 0 | 0 | 0 | 111.4 | | |
| 338 | S | 54.8 | Low | 57 | Low | 119 Ų | 119 | 128.6 Ų | 128.6 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | | | trans | -131.1 | 111.4 | 159.7 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 339 | S | 54.5 | Low | 57.8 | Low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.4 | -179.9 | 50.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 340 | E | 66 | Low | 59 | Low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 135.9 | 169.7 | -166.5 | 173.5 | 178.5 | 0 | 0 | 110.2 | | |
| 341 | P | 75.6 | Confident | 59.2 | Low | 109 Ų | 109 | 131.3 Ų | 131.3 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 149.7 | -177.7 | 30.6 | -35 | 0 | 0 | 0 | 112.5 | | |
| 342 | P | 79.3 | Confident | 60.1 | Low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 153 | 176.9 | 30.2 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 343 | P | 77.7 | Confident | 60 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.5 | 177.2 | 28.5 | -35.2 | 0 | 0 | 0 | 112.1 | | |
| 344 | P | 73.4 | Confident | 60.8 | Low | 117 Ų | 117 | 134.2 Ų | 134.2 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 147.1 | -179.6 | 28.6 | -35 | 0 | 0 | 0 | 112.3 | | |
| 345 | P | 76.4 | Confident | 61 | Low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 142.3 | 177.6 | 29.3 | -34.7 | 0 | 0 | 0 | 111.9 | L347 | P345-L347 PolarHBondContact O-N 3.49Š|
| 346 | L | 64.2 | Low | 61.5 | Low | 175 Ų | 175 | 138.8 Ų | 138.8 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.4 | 173.6 | -66.6 | 170.5 | 0 | 0 | 0 | 110.3 | A348 | L346-A348 PolarHBondContact O-N 3.05Š|
| 347 | L | 59.8 | Low | 61.7 | Low | 171 Ų | 171 | 141.2 Ų | 141.2 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71 | 119.7 | 171.2 | -79.4 | 89 | 0 | 0 | 0 | 110.3 | P345 | P345-L347 PolarHBondContact O-N 3.49Š|
| 348 | A | 61 | Low | 62 | Low | 82 Ų | 82 | 141.9 Ų | 141.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 143.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L346 I350 | L346-A348 PolarHBondContact O-N 3.05Å; A348-I350 PolarHBondContact O-N 3.38Å |
| 349 | P | 67.4 | Low | 61.8 | Low | 127 Ų | 127 | 140.7 Ų | 140.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 128.5 | 173.4 | -22.3 | 33.9 | 0 | 0 | 0 | 112.3 | H351 | P349-H351 PolarHBondContact O-N 2.95Š|
| 350 | I | 62.2 | Low | 61.4 | Low | 136 Ų | 136 | 143.8 Ų | 143.8 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 118.3 | 178.8 | -59.7 | 171.5 | 0 | 0 | 0 | 109.5 | A348 H352 | A348-I350 PolarHBondContact O-N 3.38Å; I350-H352 WeakPolarHBondContact CG2-NE2 3.48Å |
| 351 | H | 54.5 | Low | 60.5 | Low | 158 Ų | 158 | 141 Ų | 141 | 73% | 0.731 | 79% | 0.786 | S | S | * | * | | | trans | -85.5 | 111 | 167.1 | -113.3 | -85.9 | 0 | 0 | 0 | 109.5 | P349 | P349-H351 PolarHBondContact O-N 2.95Š|
| 352 | H | 61.4 | Low | 59 | Low | 168 Ų | 168 | 142.6 Ų | 142.6 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | | | trans | -90.8 | 128.4 | 169.2 | -79.9 | -67.3 | 0 | 0 | 0 | 111 | I350 | I350-H352 WeakPolarHBondContact CG2-NE2 3.48Š|
| 353 | H | 49 | Very low | 57.6 | Low | 164 Ų | 164 | 146.5 Ų | 146.5 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | trans | -102.9 | 134.3 | 172 | -27.6 | -70.6 | 0 | 0 | 0 | 108.6 | | |
| 354 | S | 57.9 | Low | 55.8 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | -138.4 | 123 | 160.1 | 60 | 0 | 0 | 0 | 0 | 110.3 | | |
| 355 | N | 49.7 | Very low | 54.5 | Low | 161 Ų | 161 | 149.2 Ų | 149.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -80.9 | 133.6 | 175 | -67.4 | -63.4 | 0 | 0 | 0 | 109.4 | | |
| 356 | Q | 53.6 | Low | 52.8 | Low | 203 Ų | 203 | 149.5 Ų | 149.5 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | | | trans | -138.2 | 164.3 | 145.6 | -78.6 | -140.8 | 34.4 | 0 | 0 | 110.1 | | |
| 357 | K | 53 | Low | 51.9 | Low | 175 Ų | 175 | 146.8 Ų | 146.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | | | trans | -134.8 | 153.5 | -138.5 | -153 | -160.7 | 173.1 | -177.3 | 0 | 110.4 | | |
| 358 | L | 50 | Low | 51 | Low | 139 Ų | 139 | 145 Ų | 145 | 73% | 0.728 | 80% | 0.799 | S | S | * | * | | | trans | 78.5 | 158.7 | 162.5 | -58.7 | 161.6 | 0 | 0 | 0 | 116.6 | | |
| 359 | P | 51.1 | Low | 50.4 | Low | 94 Ų | 94 | 149.3 Ų | 149.3 | 61% | 0.61 | 81% | 0.81 | S | S | * | * | | | | -144.1 | 174.2 | -69.7 | 39.4 | -20.2 | 0 | 0 | 0 | 116.2 | | |
| 360 | H | 45.3 | Very low | 49.1 | Very low | 186 Ų | 186 | 150 Ų | 150 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | 38.9 | 118.3 | 150.9 | -53.8 | -47.1 | 0 | 0 | 0 | 121.6 | | |
| 361 | S | 47.3 | Very low | 48.1 | Very low | 124 Ų | 124 | 149.1 Ų | 149.1 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | | -153.4 | 161 | 118.2 | -162.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 362 | I | 44.9 | Very low | 47.7 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | | | trans | -111.1 | 139.5 | -166.7 | -65.5 | 157.7 | 0 | 0 | 0 | 109.7 | | |
| 363 | Q | 49.1 | Very low | 46.8 | Very low | 196 Ų | 196 | 152.3 Ų | 152.3 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | | | trans | -163.8 | 134.4 | 139.1 | -110.7 | 162.8 | 34 | 0 | 0 | 113.4 | | |
| 364 | N | 41.3 | Very low | 46.7 | Very low | 147 Ų | 147 | 151.5 Ų | 151.5 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | trans | -81.6 | 144.7 | 171.5 | -64.6 | -41.3 | 0 | 0 | 0 | 110.4 | | |
| 365 | T | 46.1 | Very low | 45.9 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | | | trans | -150.3 | 131.9 | 138.7 | 38.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 366 | S | 41 | Very low | 45.9 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | | | trans | -99.3 | 136.6 | 176 | -48 | 0 | 0 | 0 | 0 | 110.1 | | |
| 367 | S | 44.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -155.8 | 110.7 | 159 | 59 | 0 | 0 | 0 | 0 | 112.4 | | |
| 368 | T | 41 | Very low | 45.3 | Very low | 134 Ų | 134 | 144.4 Ų | 144.4 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -52.5 | 151.2 | 158.3 | 37.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 369 | L | 47 | Very low | 45.1 | Very low | 172 Ų | 172 | 144.3 Ų | 144.3 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | | | trans | -165.8 | 160.2 | 131.3 | -104.6 | 165.2 | 0 | 0 | 0 | 112.6 | | |
| 370 | N | 40.2 | Very low | 45.1 | Very low | 143 Ų | 143 | 145.3 Ų | 145.3 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.5 | 165.9 | -163.3 | -81.6 | -39.4 | 0 | 0 | 0 | 114.8 | | |
| 371 | P | 42.4 | Very low | 45.1 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 148.6 | 177.8 | 32.4 | -36.2 | 0 | 0 | 0 | 113.2 | | |
| 372 | L | 46.2 | Very low | 45.2 | Very low | 172 Ų | 172 | 142.4 Ų | 142.4 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -98.5 | 132.4 | 171.1 | -108.3 | 75 | 0 | 0 | 0 | 112 | | |
| 373 | Y | 41.2 | Very low | 45.7 | Very low | 221 Ų | 221 | 141.6 Ų | 141.6 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 155.7 | 162.8 | -94.7 | -106.6 | 0 | 0 | 0 | 111.1 | | |
| 374 | N | 48.7 | Very low | 45.8 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | trans | -133.1 | 126.6 | 164.9 | -164.9 | 5.5 | 0 | 0 | 0 | 110.2 | | |
| 375 | S | 40.3 | Very low | 46.1 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | trans | -151.9 | 119.8 | -178.4 | -65.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 376 | N | 49 | Very low | 46.2 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | | | trans | -105 | 110.6 | 169.2 | -76.6 | -20.3 | 0 | 0 | 0 | 107.5 | | |
| 377 | T | 41.3 | Very low | 47 | Very low | 116 Ų | 116 | 139.2 Ų | 139.2 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | | 77.7 | 145.6 | 79.9 | 54.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 378 | I | 54 | Low | 47.9 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | trans | 88.9 | 119.4 | -176.8 | -57.3 | 170.8 | 0 | 0 | 0 | 114.3 | | |
| 379 | D | 45.9 | Very low | 49.4 | Very low | 137 Ų | 137 | 139.1 Ų | 139.1 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | cis | -169.2 | 174.6 | -17.7 | -129.9 | -47.6 | 0 | 0 | 0 | 116.4 | | |
| 380 | V | 50.8 | Low | 50.5 | Low | 116 Ų | 116 | 137 Ų | 137 | 70% | 0.703 | 77% | 0.771 | S | S | * | * | | | trans | 67.6 | 117.4 | 149.3 | 174.8 | 0 | 0 | 0 | 0 | 123.3 | | |
| 381 | S | 45.4 | Very low | 52 | Low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | | | trans | 104.7 | 108.6 | 139.1 | 68.8 | 0 | 0 | 0 | 0 | 124.3 | | |
| 382 | L | 49.7 | Very low | 53.4 | Low | 150 Ų | 150 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | 72 | 93.7 | 130.2 | -56.2 | 170.5 | 0 | 0 | 0 | 123 | | |
| 383 | T | 55.3 | Low | 54.5 | Low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | | | | 93.4 | 165.5 | 111.5 | 71.6 | 0 | 0 | 0 | 0 | 117 | | |
| 384 | P | 49.8 | Very low | 55.6 | Low | 108 Ų | 108 | 127.7 Ų | 127.7 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | | | | -131 | -172.3 | -104.8 | 29.1 | -3.1 | 0 | 0 | 0 | 115.9 | | |
| 385 | N | 48.4 | Very low | 56.3 | Low | 151 Ų | 151 | 128.5 Ų | 128.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 90 | 104.2 | 174.3 | -61.8 | -44.7 | 0 | 0 | 0 | 118.3 | | |
| 386 | K | 47.4 | Very low | 57.3 | Low | 197 Ų | 197 | 132 Ų | 132 | 86% | 0.857 | 77% | 0.77 | S | S | * | * | | | | 179.3 | 132.3 | 101.3 | -100.3 | 176.6 | 178.6 | 177.8 | 0 | 114.6 | | |
| 387 | S | 57.5 | Low | 57.6 | Low | 107 Ų | 107 | 131.1 Ų | 131.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 36.2 | 113.9 | 147.8 | 58.8 | 0 | 0 | 0 | 0 | 121 | | |
| 388 | V | 63.8 | Low | 58.7 | Low | 139 Ų | 139 | 133.4 Ų | 133.4 | 84% | 0.842 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 135 | 162.8 | 174.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 389 | P | 72.7 | Confident | 59 | Low | 109 Ų | 109 | 134.5 Ų | 134.5 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 147.7 | 166 | 33.8 | -32 | 0 | 0 | 0 | 112 | | |
| 390 | P | 71.2 | Confident | 59.7 | Low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 154.1 | -175.7 | 33.1 | -35.8 | 0 | 0 | 0 | 113.7 | | |
| 391 | A | 70.7 | Confident | 60.7 | Low | 93 Ų | 93 | 133.9 Ų | 133.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 149 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 392 | P | 72.1 | Confident | 60.9 | Low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 153.1 | 176.7 | 31.9 | -35 | 0 | 0 | 0 | 112.7 | | |
| 393 | P | 70.4 | Confident | 61.6 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 152.1 | -175.6 | 31.9 | -36 | 0 | 0 | 0 | 113.9 | | |
| 394 | V | 62.8 | Low | 61.4 | Low | 124 Ų | 124 | 135.7 Ų | 135.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 123.5 | 174.2 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 395 | L | 62.9 | Low | 61.5 | Low | 165 Ų | 165 | 136.1 Ų | 136.1 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 131.6 | 168.9 | -79.8 | 170.2 | 0 | 0 | 0 | 110.7 | | |
| 396 | H | 62.8 | Low | 61.8 | Low | 167 Ų | 167 | 136.5 Ų | 136.5 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 135.4 | -179.6 | -64.4 | 83.1 | 0 | 0 | 0 | 110.9 | | |
| 397 | S | 54.6 | Low | 61.9 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 88% | 0.881 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72 | 135.5 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 112 | | |
| 398 | I | 64.7 | Low | 61.3 | Low | 164 Ų | 164 | 133.9 Ų | 133.9 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | | | trans | -111.6 | 135.8 | 170.3 | -62.8 | 177.5 | 0 | 0 | 0 | 109 | | |
| 399 | H | 59.4 | Low | 60.8 | Low | 179 Ų | 179 | 132.7 Ų | 132.7 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 147.3 | -179 | -91.3 | -98.1 | 0 | 0 | 0 | 113.8 | | |
| 400 | P | 62.4 | Low | 60.2 | Low | 115 Ų | 115 | 134.2 Ų | 134.2 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 139 | 157 | 34.8 | -29.6 | 0 | 0 | 0 | 111.3 | | |
| 401 | P | 71 | Confident | 59.5 | Low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 152.6 | 167.9 | 33.5 | -31.7 | 0 | 0 | 0 | 112.6 | | |
| 402 | S | 48.8 | Very low | 58.8 | Low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 146.4 | -180 | 178.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 403 | I | 64.4 | Low | 57.8 | Low | 161 Ų | 161 | 138.5 Ų | 138.5 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | | | trans | -136.7 | 122 | 158.2 | -58.7 | -178.5 | 0 | 0 | 0 | 109 | | |
| 404 | N | 51 | Low | 57.1 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | | | trans | -92.7 | 145.6 | 168.2 | -86.5 | -26.1 | 0 | 0 | 0 | 110.6 | | |
| 405 | P | 52.4 | Low | 56.8 | Low | 116 Ų | 116 | 137.6 Ų | 137.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -107.2 | 146.2 | -178.4 | 38.2 | -31.8 | 0 | 0 | 0 | 114.1 | | |
| 406 | I | 55.4 | Low | 56 | Low | 159 Ų | 159 | 134 Ų | 134 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | | | trans | -143.9 | 127.6 | 163.1 | -64.7 | -173.7 | 0 | 0 | 0 | 109.9 | | |
| 407 | N | 48.1 | Very low | 55.4 | Low | 150 Ų | 150 | 133.3 Ų | 133.3 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 16.5 | 148.3 | 143.7 | -59.8 | -11.6 | 0 | 0 | 0 | 120.4 | | |
| 408 | S | 46.6 | Very low | 55 | Low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | | | cis | -176.4 | 168.2 | 6.8 | 35.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 409 | S | 53.5 | Low | 54.2 | Low | 114 Ų | 114 | 135.3 Ų | 135.3 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | 73.8 | 147 | 162 | 78.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 410 | V | 59.7 | Low | 53.6 | Low | 141 Ų | 141 | 133.9 Ų | 133.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | | | cis | 178.9 | 154.3 | -25.6 | 130.7 | 0 | 0 | 0 | 0 | 104.1 | | |
| 411 | P | 55 | Low | 53 | Low | 123 Ų | 123 | 137.2 Ų | 137.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | -119.2 | 172.9 | -143.3 | 42.2 | -33.6 | 0 | 0 | 0 | 117.1 | | |
| 412 | S | 56.6 | Low | 51.7 | Low | 110 Ų | 110 | 141.2 Ų | 141.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -154.9 | 115.8 | 163.1 | 59.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 413 | Q | 51 | Low | 51.7 | Low | 194 Ų | 194 | 148 Ų | 148 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | | | trans | 50.4 | 137.5 | 150.3 | -70.5 | -177.4 | -39.7 | 0 | 0 | 124.5 | | |
| 414 | P | 55.7 | Low | 50.9 | Low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | | | trans | -101.5 | 177.2 | 162.8 | 41.3 | -33.9 | 0 | 0 | 0 | 112.7 | | |
| 415 | P | 56.6 | Low | 50.7 | Low | 114 Ų | 114 | 149.7 Ų | 149.7 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | | -155.7 | 163 | 107.5 | 41 | -23.4 | 0 | 0 | 0 | 118.9 | | |
| 416 | S | 47.1 | Very low | 50.5 | Low | 89 Ų | 89 | 152.8 Ų | 152.8 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | | | trans | 51.2 | 125.3 | 141.2 | 61.3 | 0 | 0 | 0 | 0 | 124.5 | | |
| 417 | H | 49.4 | Very low | 50 | Low | 153 Ų | 153 | 152 Ų | 152 | 71% | 0.708 | 78% | 0.778 | S | S | * | * | | | | 157.1 | 111.5 | 118.4 | -86.5 | -73.8 | 0 | 0 | 0 | 110.9 | | |
| 418 | Q | 46 | Very low | 49.8 | Very low | 142 Ų | 142 | 151.7 Ų | 151.7 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | | | | 58.4 | 122.4 | 104.1 | -79.2 | -171.8 | -25.3 | 0 | 0 | 117 | | |
| 419 | F | 47.7 | Very low | 49.6 | Very low | 190 Ų | 190 | 155 Ų | 155 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | | -174.2 | 160.5 | 108.6 | -101.8 | -71.4 | 0 | 0 | 0 | 112.8 | | |
| 420 | H | 46.5 | Very low | 49.4 | Very low | 148 Ų | 148 | 158.1 Ų | 158.1 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | | | trans | -90.3 | 160.2 | -171.6 | -58.9 | -97 | 0 | 0 | 0 | 113.5 | | |
| 421 | H | 49.7 | Very low | 48.5 | Very low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | | 177.9 | 169.5 | 96.6 | -109.5 | -31.7 | 0 | 0 | 0 | 117.4 | | |
| 422 | Y | 44.6 | Very low | 48.1 | Very low | 210 Ų | 210 | 155.9 Ų | 155.9 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -92.7 | 152 | -173.1 | -99.2 | -117.2 | 0 | 0 | 0 | 113.9 | | |
| 423 | R | 48.4 | Very low | 47.5 | Very low | 245 Ų | 245 | 159.1 Ų | 159.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | | | trans | -179.2 | 157.1 | 132.3 | -108.5 | -179.6 | 171.4 | -173.9 | -2.3 | 110.3 | | |
| 424 | H | 48.9 | Very low | 47.8 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | cis | -179.2 | 144.4 | -41.3 | -165 | -64.1 | 0 | 0 | 0 | 104.5 | | |
| 425 | Q | 45.2 | Very low | 47.5 | Very low | 179 Ų | 179 | 160.2 Ų | 160.2 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | -71 | 154.6 | 178.8 | -70 | 175.7 | -29.9 | 0 | 0 | 114.5 | | |
| 426 | Q | 49 | Very low | 46.8 | Very low | 180 Ų | 180 | 162.9 Ų | 162.9 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -161.1 | 160.5 | 146.3 | -125.6 | 177.3 | 3.1 | 0 | 0 | 109.3 | | |
| 427 | Q | 43.9 | Very low | 47.2 | Very low | 142 Ų | 142 | 166.4 Ų | 166.4 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | | | | -177.1 | 127.3 | -55.7 | -178.6 | 175 | 11.9 | 0 | 0 | 107.4 | | |
| 428 | Q | 44.2 | Very low | 46.7 | Very low | 144 Ų | 144 | 167.4 Ų | 167.4 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | | | trans | 56.3 | 119 | 153.3 | -64.2 | 173.5 | 19.4 | 0 | 0 | 120.9 | | |
| 429 | Q | 44 | Very low | 46.8 | Very low | 169 Ų | 169 | 168.6 Ų | 168.6 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | | 84.6 | 126.6 | 89.9 | -71.8 | -171.8 | 11.2 | 0 | 0 | 116.3 | | |
| 430 | L | 49.3 | Very low | 46.8 | Very low | 181 Ų | 181 | 165 Ų | 165 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | | | trans | -146.4 | 142.3 | 153.1 | -90 | 174.1 | 0 | 0 | 0 | 109.9 | | |
| 431 | S | 39.9 | Very low | 47.1 | Very low | 105 Ų | 105 | 166.7 Ų | 166.7 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -131.7 | 147.2 | -175.7 | -68.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 432 | S | 46.1 | Very low | 46.5 | Very low | 111 Ų | 111 | 163.4 Ų | 163.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | | | trans | 169.4 | 115.5 | 146.2 | 42.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 433 | H | 44.7 | Very low | 46.5 | Very low | 179 Ų | 179 | 158.5 Ų | 158.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | | | | 77.8 | 117.2 | 80.8 | -82.1 | -49 | 0 | 0 | 0 | 116.6 | | |
| 434 | L | 57.3 | Low | 46.1 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | | | trans | -155 | 160.9 | 142.8 | -143.7 | 66 | 0 | 0 | 0 | 113.1 | | |
| 435 | H | 49.6 | Very low | 45.9 | Very low | 157 Ų | 157 | 152.2 Ų | 152.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | | | trans | -98 | 143.3 | -163.5 | -70.8 | 86.2 | 0 | 0 | 0 | 112.7 | | |
| 436 | H | 42.5 | Very low | 45.6 | Very low | 169 Ų | 169 | 151.4 Ų | 151.4 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | | | | 78.4 | 104.8 | 72 | -133.7 | 94.9 | 0 | 0 | 0 | 115.5 | | |
| 437 | H | 54.9 | Low | 45.4 | Very low | 163 Ų | 163 | 151.3 Ų | 151.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -175.5 | 148.1 | 134.7 | -117 | -72.4 | 0 | 0 | 0 | 113.9 | H439 | H437-H439 AromaticContact ND1-NE2 3.96Š|
| 438 | Q | 39.2 | Very low | 45.3 | Very low | 175 Ų | 175 | 152 Ų | 152 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -134.9 | 156.6 | 167.3 | -92.7 | -145.5 | 51.8 | 0 | 0 | 110.8 | | |
| 439 | H | 47.4 | Very low | 45.4 | Very low | 167 Ų | 167 | 151.2 Ų | 151.2 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -148.5 | 136.5 | 167.1 | -77.3 | -79.7 | 0 | 0 | 0 | 110.8 | H437 | H437-H439 AromaticContact ND1-NE2 3.96Š|
| 440 | P | 46.9 | Very low | 45.2 | Very low | 114 Ų | 114 | 150.6 Ų | 150.6 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | | | trans | -119.5 | 152 | 169.6 | 38.3 | -28 | 0 | 0 | 0 | 113.6 | | |
| 441 | L | 52.9 | Low | 44.9 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 96% | 0.963 | 78% | 0.783 | S | S | * | * | | | trans | -143.8 | 158.3 | 165.9 | -78.7 | -179.3 | 0 | 0 | 0 | 112.2 | | |
| 442 | S | 37.8 | Very low | 45 | Very low | 115 Ų | 115 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -133.1 | 145.9 | -162 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 443 | S | 43.7 | Very low | 44.5 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | 178.9 | 124.9 | 152.8 | -166 | 0 | 0 | 0 | 0 | 107.7 | | |
| 444 | V | 40.7 | Very low | 44.3 | Very low | 116 Ų | 116 | 144.3 Ų | 144.3 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | | 77.8 | 112 | 51.5 | -173.6 | 0 | 0 | 0 | 0 | 115 | | |
| 445 | H | 45.4 | Very low | 43.6 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | 153.8 | 108.5 | 145.8 | -87.3 | 80.3 | 0 | 0 | 0 | 109.1 | | |
| 446 | H | 38.6 | Very low | 43 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | | | | 59.3 | 119.4 | 78.8 | -90.1 | 72.8 | 0 | 0 | 0 | 117 | | |
| 447 | H | 45.3 | Very low | 43.4 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | | -173.3 | 167.4 | 129.2 | -96.9 | -59.2 | 0 | 0 | 0 | 113.7 | | |
| 448 | H | 41.6 | Very low | 42.6 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | | | trans | -82 | -179.9 | -164.3 | -76.2 | -90.3 | 0 | 0 | 0 | 116.1 | | |
| 449 | P | 45.5 | Very low | 43.1 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | | -140.2 | 174.4 | 107.7 | 37.8 | -24.6 | 0 | 0 | 0 | 116.7 | | |
| 450 | I | 39.8 | Very low | 43 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | | | trans | -127.7 | 145.2 | -176 | -65.4 | 168.2 | 0 | 0 | 0 | 109.5 | | |
| 451 | A | 44 | Very low | 42.7 | Very low | 82 Ų | 82 | 133.9 Ų | 133.9 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 152 | 129.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 452 | S | 40.7 | Very low | 42.3 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | | 63.2 | 131.7 | 50.1 | 73.2 | 0 | 0 | 0 | 0 | 114.2 | | |
| 453 | S | 36.1 | Very low | 42.4 | Very low | 81 Ų | 81 | 134.2 Ų | 134.2 | 57% | 0.566 | 76% | 0.756 | S | S | * | * | | | cis | -172.5 | 174.5 | -6 | 38.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 454 | H | 41.5 | Very low | 42.5 | Very low | 173 Ų | 173 | 134.8 Ų | 134.8 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | 75.1 | 152.8 | 171.8 | -43.2 | -63.6 | 0 | 0 | 0 | 115.7 | | |
| 455 | S | 40.9 | Very low | 42.4 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | cis | -162.1 | 150.4 | -2 | 23.5 | 0 | 0 | 0 | 0 | 112 | | |
| 456 | Y | 38.3 | Very low | 42.6 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -110.7 | 160.4 | 162.3 | -81.9 | -78.1 | 0 | 0 | 0 | 107.6 | | |
| 457 | P | 50.3 | Low | 43 | Very low | 113 Ų | 113 | 136.2 Ų | 136.2 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | -154.6 | 170.3 | 50.9 | 42.4 | -20.3 | 0 | 0 | 0 | 120.6 | | |
| 458 | S | 38.5 | Very low | 43.3 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | | | trans | 25 | 129.6 | 141.3 | -51.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 459 | S | 50.3 | Low | 43.8 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 89% | 0.888 | 78% | 0.777 | S | S | * | * | | | trans | -143.6 | 155.6 | 137.9 | 61.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 460 | L | 44.2 | Very low | 44.1 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -121.4 | 144.8 | -163.2 | -135.4 | 99.5 | 0 | 0 | 0 | 111.3 | | |
| 461 | S | 40.5 | Very low | 45.5 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 64% | 0.643 | 78% | 0.777 | S | S | * | * | | | trans | 80.5 | 151.8 | 137.1 | -138.9 | 0 | 0 | 0 | 0 | 121.9 | | |
| 462 | Q | 45.2 | Very low | 46.1 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | 67.7 | 155.9 | 159.4 | -54 | -157.1 | 9.1 | 0 | 0 | 118.3 | | |
| 463 | N | 39.2 | Very low | 46.3 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | | | cis | -177.8 | 130.6 | -30.3 | 178.1 | 21.8 | 0 | 0 | 0 | 104.9 | | |
| 464 | S | 45.2 | Very low | 47.4 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | trans | -178.3 | 119.1 | 155.7 | -90.7 | 0 | 0 | 0 | 0 | 113.6 | | |
| 465 | S | 40 | Very low | 47.8 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | | | trans | -65.4 | 147.9 | 162.2 | -41 | 0 | 0 | 0 | 0 | 111.5 | | |
| 466 | R | 49.9 | Very low | 48.4 | Very low | 253 Ų | 253 | 145.4 Ų | 145.4 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | | | trans | -139.7 | 138 | 155.7 | -103 | -177.5 | 177.7 | -130.2 | -2.4 | 111.2 | | |
| 467 | S | 45.4 | Very low | 48.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | | | trans | -76.1 | 159.5 | -175.2 | 47.1 | 0 | 0 | 0 | 0 | 113 | | |
| 468 | M | 52.8 | Low | 48.9 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 92% | 0.916 | 82% | 0.817 | S | S | * | * | | | trans | -124.6 | 127.4 | 161.9 | -78.5 | -69.4 | 155.6 | 0 | 0 | 109.3 | | |
| 469 | S | 52.2 | Low | 49.3 | Very low | 104 Ų | 104 | 142.6 Ų | 142.6 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -85.8 | 151.1 | 176.1 | -1.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 470 | P | 50.9 | Low | 49.8 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -81 | 145.3 | 171.1 | 33.3 | -32.7 | 0 | 0 | 0 | 111.5 | | |
| 471 | I | 69.1 | Low | 50.5 | Low | 157 Ų | 157 | 143.8 Ų | 143.8 | 81% | 0.805 | 82% | 0.817 | S | S | * | * | | | trans | -107.8 | 137.7 | 172.9 | -64 | 176.2 | 0 | 0 | 0 | 107.8 | | |
| 472 | P | 56.6 | Low | 51.1 | Low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -73.6 | 150.8 | 179 | 31 | -35.5 | 0 | 0 | 0 | 112.1 | | |
| 473 | M | 45.9 | Very low | 51.8 | Low | 184 Ų | 184 | 141.7 Ų | 141.7 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | | | trans | -88.2 | 137.3 | 170.1 | -61.9 | -144.7 | -50.3 | 0 | 0 | 110.9 | | |
| 474 | E | 59.3 | Low | 52.2 | Low | 194 Ų | 194 | 142 Ų | 142 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | | | trans | -114.4 | 150 | 155.9 | -73.1 | -151.6 | 142 | 0 | 0 | 111.1 | | |
| 475 | T | 48.4 | Very low | 52.6 | Low | 129 Ų | 129 | 144 Ų | 144 | 79% | 0.791 | 82% | 0.82 | S | S | * | * | | | trans | -79.5 | 136.2 | -173.1 | 49.6 | 0 | 0 | 0 | 0 | 112 | | |
| 476 | N | 53.6 | Low | 53 | Low | 166 Ų | 166 | 148.2 Ų | 148.2 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | | | trans | -155.6 | 138.9 | 145.8 | -100.5 | -44.6 | 0 | 0 | 0 | 112.1 | | |
| 477 | S | 44.7 | Very low | 53.1 | Low | 116 Ų | 116 | 145.6 Ų | 145.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | | | trans | -89.2 | 111.9 | -173.7 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | | |
| 478 | S | 55.7 | Low | 53.3 | Low | 115 Ų | 115 | 147.1 Ų | 147.1 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -157.4 | 146 | 154.8 | 58.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 479 | S | 47 | Very low | 53.1 | Low | 119 Ų | 119 | 149.7 Ų | 149.7 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | | | trans | -66.7 | 128.8 | -171.3 | -54.1 | 0 | 0 | 0 | 0 | 112.6 | Q481 | S479-Q481 PolarHBondContact O-N 3.22Š|
| 480 | P | 59.1 | Low | 53.2 | Low | 123 Ų | 123 | 155 Ų | 155 | 80% | 0.799 | 82% | 0.818 | S | S | * | * | | | trans | -74.8 | 115.7 | 169.8 | 29.7 | -31.5 | 0 | 0 | 0 | 109.9 | | |
| 481 | Q | 60.7 | Low | 53.7 | Low | 189 Ų | 189 | 155.4 Ų | 155.4 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133 | 169.6 | -166.9 | 171.3 | 9.8 | 0 | 0 | 109.4 | S479 | S479-Q481 PolarHBondContact O-N 3.22Š|
| 482 | S | 51.2 | Low | 53.3 | Low | 106 Ų | 106 | 155.5 Ų | 155.5 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 131.5 | -173.3 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | D484 | S482-D484 PolarHBondContact O-N 2.86Š|
| 483 | P | 62 | Low | 54.1 | Low | 118 Ų | 118 | 153.5 Ų | 153.5 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 126.4 | -179.3 | 27.8 | -33.5 | 0 | 0 | 0 | 110.5 | I485 | P483-I485 PolarHBondContact O-N 3.28Š|
| 484 | D | 46.1 | Very low | 55.8 | Low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -49 | 126.7 | 175.7 | -81 | -50.6 | 0 | 0 | 0 | 112 | S482 Y486 | S482-D484 PolarHBondContact O-N 2.86Å; D484-Y486 HydrophobicContact CB-CD2 4.41Å; D484-Y486 PolarHBondContact O-N 3.36Å |
| 485 | I | 55.1 | Low | 57 | Low | 161 Ų | 161 | 144.8 Ų | 144.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -67 | -3.7 | -175.4 | -67.1 | 171.8 | 0 | 0 | 0 | 112.3 | P483 K487 | P483-I485 PolarHBondContact O-N 3.28Å; I485-K487 PolarHBondContact O-N 2.94Å; I485-K487 VanDerWaalsContact O-N 3.17Å |
| 486 | Y | 47.8 | Very low | 58.7 | Low | 201 Ų | 201 | 143.7 Ų | 143.7 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 55.6 | -174.5 | -60.5 | -76.6 | 0 | 0 | 0 | 114.9 | D484 | D484-Y486 HydrophobicContact CB-CD2 4.41Å; D484-Y486 PolarHBondContact O-N 3.36Å |
| 487 | K | 52.6 | Low | 60.3 | Low | 199 Ų | 199 | 140.4 Ų | 140.4 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.3 | -4.6 | 172.9 | -112 | 150.2 | -162.8 | 172.6 | 0 | 119.6 | I485 | I485-K487 PolarHBondContact O-N 2.94Å; I485-K487 VanDerWaalsContact O-N 3.17Å |
| 488 | I | 49.1 | Very low | 62.5 | Low | 137 Ų | 137 | 143 Ų | 143 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | | | trans | -121.7 | 62.5 | 177.5 | -44.1 | -177 | 0 | 0 | 0 | 111.6 | R490 | I488-R490 HydrophobicContact CG2-CB 4.13Å; I488-R490 HydrophobicContact CG2-CG 3.81Å; I488-R490 PolarHBondContact O-N 2.98Å |
| 489 | R | 48.4 | Very low | 64.2 | Low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 71% | 0.71 | S | S | * | * | | | trans | -79 | 65 | 156.1 | -156.5 | -175 | -64.3 | 176.5 | 0.7 | 108.8 | L491 | R489-L491 PolarHBondContact O-N 2.9Š|
| 490 | R | 54.1 | Low | 66.5 | Low | 215 Ų | 215 | 145.5 Ų | 145.5 | 81% | 0.811 | 70% | 0.697 | S | S | * | * | | | trans | -63.1 | 105.4 | 166 | -94.7 | -179 | 179 | 162.6 | 2.2 | 106 | I488 D492 | I488-R490 HydrophobicContact CG2-CB 4.13Å; I488-R490 HydrophobicContact CG2-CG 3.81Å; I488-R490 PolarHBondContact O-N 2.98Å; R490-D492 PolarHBondContact O-N 2.92Å; R490-D492 VanDerWaalsContact O-N 3.09Å |
| 491 | L | 61 | Low | 68.1 | Low | 138 Ų | 138 | 146.9 Ų | 146.9 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | | | trans | -52.2 | 116 | 174.2 | -82.9 | 149.3 | 0 | 0 | 0 | 109.3 | R489 M493 | R489-L491 PolarHBondContact O-N 2.9Å; L491-M493 PolarHBondContact O-N 3.43Å |
| 492 | D | 61.8 | Low | 69.8 | Low | 160 Ų | 160 | 145.9 Ų | 145.9 | 86% | 0.856 | 68% | 0.683 | S | S | * | * | | | trans | -65.6 | 86.3 | 167 | -77.4 | -44.3 | 0 | 0 | 0 | 108.6 | R490 T494 | R490-D492 PolarHBondContact O-N 2.92Å; R490-D492 VanDerWaalsContact O-N 3.09Å; D492-T494 PolarHBondContact O-N 3.5Å |
| 493 | M | 71.4 | Confident | 71.9 | Confident | 77 Ų | 77 | 149.8 Ų | 149.8 | 38% | 0.379 | 68% | 0.682 | S | S | . | * | | | trans | -64 | 108.6 | 170 | -69.2 | -88.9 | 79.7 | 0 | 0 | 107.8 | L491 E497 | L491-M493 PolarHBondContact O-N 3.43Å; M493-E497 HydrophobicContact CE-CB 4.26Å; M493-E497 HydrophobicContact CE-CG 3.78Å; M493-E497 WeakPolarHBondContact CE-OE2 3.47Å; M493-E497 HydrophobicContact SD-CB 4.39Å; M493-E497 HydrophobicContact SD-CG 3.91Å |
| 494 | T | 83.3 | Confident | 73.5 | Confident | 90 Ų | 90 | 153 Ų | 153 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | | | trans | -49.5 | 146.4 | 167.2 | 63.3 | 0 | 0 | 0 | 0 | 109.7 | D492 E496 E497 R498 | D492-T494 PolarHBondContact O-N 3.5Å; T494-E496 PolarHBondContact O-N 3.27Å; T494-E496 VanDerWaalsContact O-N 3.1Å; T494-E497 WeakPolarHBondContact O-CA 3.41Å; T494-E497 PolarHBondContact O-N 2.97Å; T494-E497 PolarHBondContact OG1-N 3.4Å; T494-R498 PolarHBondContact O-N 2.93Å |
| 495 | D | 83.9 | Confident | 75.8 | Confident | 105 Ų | 105 | 151 Ų | 151 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -65.1 | -23.3 | -171.5 | -145 | 30.8 | 0 | 0 | 0 | 112 | R498 R499 | D495-R498 WeakPolarHBondContact O-CB 3.41Å; D495-R498 PolarHBondContact O-N 2.91Å; D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.23Å |
| 496 | E | 84.2 | Confident | 77.8 | Confident | 106 Ų | 106 | 151 Ų | 151 | 50% | 0.495 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.2 | -39.5 | 169.8 | -170.4 | 53 | -145.6 | 0 | 0 | 112.5 | T494 R498 R499 K500 | T494-E496 PolarHBondContact O-N 3.27Å; T494-E496 VanDerWaalsContact O-N 3.1Å; E496-R498 VanDerWaalsContact C-N 3.33Å; E496-R499 WeakPolarHBondContact O-CB 3.12Å; E496-R499 PolarHBondContact O-N 3.03Å; E496-K500 WeakPolarHBondContact O-CB 3.27Å; E496-K500 PolarHBondContact O-N 3.38Å |
| 497 | E | 86.4 | Confident | 80.1 | Confident | 96 Ų | 96 | 147.9 Ų | 147.9 | 45% | 0.449 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -69.8 | -33.8 | 174.7 | -163.1 | 160.7 | -176 | 0 | 0 | 111.8 | M493 T494 R499 K500 K501 | M493-E497 HydrophobicContact CE-CB 4.26Å; M493-E497 HydrophobicContact CE-CG 3.78Å; M493-E497 WeakPolarHBondContact CE-OE2 3.47Å; M493-E497 HydrophobicContact SD-CB 4.39Å; M493-E497 HydrophobicContact SD-CG 3.91Å; T494-E497 WeakPolarHBondContact O-CA 3.41Å; T494-E497 PolarHBondContact O-N 2.97Å; T494-E497 PolarHBondContact OG1-N 3.4Å; E497-R499 PolarHBondContact O-N 3.5Å; E497-K500 PolarHBondContact O-N 3.37Å; E497-K501 WeakPolarHBondContact O-CB 3.44Å; E497-K501 PolarHBondContact O-N 3.31Å |
| 498 | R | 90.9 | Very high | 82.1 | Confident | 171 Ų | 171 | 147.2 Ų | 147.2 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.1 | -43 | 169.2 | -151.5 | 178.9 | -161.3 | 175.9 | 7.5 | 111.6 | T494 D495 E496 K502 | T494-R498 PolarHBondContact O-N 2.93Å; D495-R498 WeakPolarHBondContact O-CB 3.41Å; D495-R498 PolarHBondContact O-N 2.91Å; E496-R498 VanDerWaalsContact C-N 3.33Å; R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 PolarHBondContact O-N 3Å |
| 499 | R | 91.7 | Very high | 84.3 | Confident | 158 Ų | 158 | 149 Ų | 149 | 60% | 0.596 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.9 | -43.1 | 172.2 | -79.5 | 176.8 | 171.1 | 173.9 | 0.5 | 112.7 | D495 E496 E497 K502 R503 | D495-R499 WeakPolarHBondContact O-CG 3.47Å; D495-R499 PolarHBondContact O-N 3.23Å; E496-R499 WeakPolarHBondContact O-CB 3.12Å; E496-R499 PolarHBondContact O-N 3.03Å; E497-R499 PolarHBondContact O-N 3.5Å; R499-K502 PolarHBondContact O-N 3.26Å; R499-R503 PolarHBondContact O-N 3.24Å |
| 500 | K | 94.9 | Very high | 86.6 | Confident | 129 Ų | 129 | 145 Ų | 145 | 56% | 0.561 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -42.5 | 177.9 | -166.4 | 175.5 | -175.5 | 177.9 | 0 | 111.6 | E496 E497 R503 R504 | E496-K500 WeakPolarHBondContact O-CB 3.27Å; E496-K500 PolarHBondContact O-N 3.38Å; E497-K500 PolarHBondContact O-N 3.37Å; K500-R503 PolarHBondContact O-N 3.03Å; K500-R504 PolarHBondContact O-N 2.84Å |
| 501 | K | 93.7 | Very high | 88.5 | Confident | 151 Ų | 151 | 140.1 Ų | 140.1 | 66% | 0.657 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.2 | -46.1 | 172 | -171.1 | 171 | -177.2 | 173.2 | 0 | 111.5 | E497 R503 R504 E505 | E497-K501 WeakPolarHBondContact O-CB 3.44Å; E497-K501 PolarHBondContact O-N 3.31Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.12Å; K501-R504 PolarHBondContact O-N 3.42Å; K501-E505 WeakPolarHBondContact O-CB 3.37Å; K501-E505 PolarHBondContact O-N 2.91Å |
| 502 | K | 95.8 | Very high | 90.1 | Very high | 168 Ų | 168 | 142.8 Ų | 142.8 | 73% | 0.73 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.4 | -34.8 | 177.7 | -155.3 | 172.1 | -172.5 | 176.7 | 0 | 112.9 | R498 R499 K506 | R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 PolarHBondContact O-N 3Å; R499-K502 PolarHBondContact O-N 3.26Å; K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.1Å |
| 503 | R | 95.9 | Very high | 91.4 | Very high | 188 Ų | 188 | 143.8 Ų | 143.8 | 71% | 0.709 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.7 | -45.8 | 171.6 | -80 | 179.8 | 169.3 | 164.2 | -4.1 | 112.3 | R499 K500 K501 E505 K506 K507 | R499-R503 PolarHBondContact O-N 3.24Å; K500-R503 PolarHBondContact O-N 3.03Å; K501-R503 VanDerWaalsContact C-N 3.35Å; K501-R503 PolarHBondContact O-N 3.12Å; R503-E505 PolarHBondContact O-N 3.43Å; R503-K506 PolarHBondContact O-N 3.5Å; R503-K507 PolarHBondContact O-N 3.18Å |
| 504 | R | 95.5 | Very high | 92.4 | Very high | 185 Ų | 185 | 147.2 Ų | 147.2 | 70% | 0.698 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -59.3 | -44.9 | 174.4 | -87.6 | -176.8 | 165.7 | 178.3 | -5.3 | 111.6 | K500 K501 K507 R508 | K500-R504 PolarHBondContact O-N 2.84Å; K501-R504 PolarHBondContact O-N 3.42Å; R504-K507 PolarHBondContact O-N 3.29Å; R504-R508 WeakPolarHBondContact O-CG 3.35Å; R504-R508 PolarHBondContact O-N 3.16Å |
| 505 | E | 94.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 150.2 Ų | 150.2 | 45% | 0.449 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.5 | -43.8 | 178.2 | -169.5 | 58.7 | -153.2 | 0 | 0 | 112 | K501 R503 K507 R508 R509 | K501-E505 WeakPolarHBondContact O-CB 3.37Å; K501-E505 PolarHBondContact O-N 2.91Å; R503-E505 PolarHBondContact O-N 3.43Å; E505-K507 VanDerWaalsContact C-N 3.31Å; E505-K507 PolarHBondContact O-N 3.04Å; E505-R508 PolarHBondContact O-N 2.84Å; E505-R509 PolarHBondContact O-N 3.24Å |
| 506 | K | 96.1 | Very high | 93.4 | Very high | 163 Ų | 163 | 152.7 Ų | 152.7 | 71% | 0.709 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.4 | -35.4 | 174.9 | -169.7 | 171.3 | -176.3 | 176.7 | 0 | 112.4 | K502 R503 K510 | K502-K506 WeakPolarHBondContact O-CB 3.47Å; K502-K506 PolarHBondContact O-N 3.1Å; R503-K506 PolarHBondContact O-N 3.5Å; K506-K510 PolarHBondContact O-N 3.09Å; K506-K510 VanDerWaalsContact O-N 3.12Å |
| 507 | K | 96.1 | Very high | 94 | Very high | 134 Ų | 134 | 155.4 Ų | 155.4 | 58% | 0.583 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65.2 | -49.1 | 172.5 | -176.2 | 174.1 | 177.3 | -178.7 | 0 | 111.2 | R503 R504 E505 R509 K510 D511 | R503-K507 PolarHBondContact O-N 3.18Å; R504-K507 PolarHBondContact O-N 3.29Å; E505-K507 VanDerWaalsContact C-N 3.31Å; E505-K507 PolarHBondContact O-N 3.04Å; K507-R509 PolarHBondContact O-N 3.36Å; K507-K510 CarbonylContact O-C 3.25Å; K507-K510 PolarHBondContact O-N 3.34Å; K507-D511 WeakPolarHBondContact CE-OD2 3.25Å; K507-D511 WeakPolarHBondContact CG-OD2 3.39Å; K507-D511 VanDerWaalsContact O-CG 3.3Å; K507-D511 PolarHBondContact O-N 3.24Å |
| 508 | R | 95.7 | Very high | 94.4 | Very high | 185 Ų | 185 | 159.1 Ų | 159.1 | 70% | 0.698 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -60.5 | -30.8 | 178.4 | -67.9 | -174.9 | 86.7 | 173 | 9.2 | 113.7 | R504 E505 K512 | R504-R508 WeakPolarHBondContact O-CG 3.35Å; R504-R508 PolarHBondContact O-N 3.16Å; E505-R508 PolarHBondContact O-N 2.84Å; R508-K512 WeakPolarHBondContact O-CB 3.42Å |
| 509 | R | 95.3 | Very high | 94.7 | Very high | 175 Ų | 175 | 158.3 Ų | 158.3 | 66% | 0.66 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -69 | -46.7 | 170.5 | -73.8 | -171.3 | 179.2 | -160.4 | -3.7 | 112 | E505 K507 D511 K512 E513 | E505-R509 PolarHBondContact O-N 3.24Å; K507-R509 PolarHBondContact O-N 3.36Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 PolarHBondContact O-N 2.86Å; R509-K512 PolarHBondContact O-N 3.12Å; R509-K512 VanDerWaalsContact O-N 3.09Å; R509-E513 PolarHBondContact O-N 3.33Å |
| 510 | K | 95.2 | Very high | 94.9 | Very high | 155 Ų | 155 | 158.4 Ų | 158.4 | 67% | 0.674 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -67.6 | -27.1 | 178.3 | -163 | -171.4 | 174.8 | -166.9 | 0 | 113.6 | K506 K507 K512 E513 | K506-K510 PolarHBondContact O-N 3.09Å; K506-K510 VanDerWaalsContact O-N 3.12Å; K507-K510 CarbonylContact O-C 3.25Å; K507-K510 PolarHBondContact O-N 3.34Å; K510-K512 PolarHBondContact O-N 3.39Å; K510-E513 VanDerWaalsContact O-OXT 3.12Å |
| 511 | D | 94.1 | Very high | 94.9 | Very high | 112 Ų | 112 | 160.6 Ų | 160.6 | 60% | 0.599 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -1.4 | 174.7 | -60.2 | -15.6 | 0 | 0 | 0 | 112.1 | K507 R509 | K507-D511 WeakPolarHBondContact CE-OD2 3.25Å; K507-D511 WeakPolarHBondContact CG-OD2 3.39Å; K507-D511 VanDerWaalsContact O-CG 3.3Å; K507-D511 PolarHBondContact O-N 3.24Å; R509-D511 VanDerWaalsContact C-N 3.3Å; R509-D511 PolarHBondContact O-N 2.86Å |
| 512 | K | 95.5 | Very high | 95 | Very high | 195 Ų | 195 | 161.4 Ų | 161.4 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | -6.8 | 180 | -172.5 | 171.6 | 180 | -177.1 | 0 | 112.9 | R508 R509 K510 | R508-K512 WeakPolarHBondContact O-CB 3.42Å; R509-K512 PolarHBondContact O-N 3.12Å; R509-K512 VanDerWaalsContact O-N 3.09Å; K510-K512 PolarHBondContact O-N 3.39Å |
| 513 | E | 89.6 | Confident | 94.9 | Very high | 181 Ų | 181 | 160.8 Ų | 160.8 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | | | trans | -113.6 | 0 | 179 | 179.5 | 175.3 | -126.9 | 0 | 0 | 108.8 | R509 K510 | R509-E513 PolarHBondContact O-N 3.33Å; K510-E513 VanDerWaalsContact O-OXT 3.12Å |