| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 61.7 | Low | 58.4 | Low | 239 Ų | 239 | 137.3 Ų | 137.3 | 100% | 1.177 | 79% | 0.793 | S | S | * | * | 0 | 118.2 | 0 | -76.8 | 176.8 | 156 | 0 | 0 | 106.8 | |||||
| 2 | S | 62 | Low | 57.4 | Low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -156 | 135.5 | -3.6 | -66.9 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 3 | D | 56.7 | Low | 56.4 | Low | 151 Ų | 151 | 133.2 Ų | 133.2 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | 19.2 | 161.3 | 106.1 | -76.7 | -33.1 | 0 | 0 | 0 | 117.2 | |||||
| 4 | P | 56 | Low | 55.9 | Low | 90 Ų | 90 | 131.5 Ų | 131.5 | 58% | 0.584 | 78% | 0.781 | S | S | * | * | -137.2 | -164.1 | -69.7 | 31 | -6.8 | 0 | 0 | 0 | 107.4 | |||||
| 5 | T | 64.5 | Low | 56.2 | Low | 125 Ų | 125 | 135.8 Ų | 135.8 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | 60.1 | 175.3 | 147.8 | 52.8 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 6 | P | 57.5 | Low | 55.8 | Low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -129.9 | 162.7 | 2.7 | 32.1 | -10.5 | 0 | 0 | 0 | 115.5 | ||||
| 7 | S | 63.1 | Low | 56.5 | Low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -62.6 | 148.5 | 156.7 | -112.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 8 | D | 56.5 | Low | 56.7 | Low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -172.8 | 132.3 | 131.6 | -97.2 | -40.7 | 0 | 0 | 0 | 115.1 | ||||
| 9 | N | 49.7 | Very low | 56.8 | Low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | 47.6 | 122.1 | 139.2 | -89.7 | -61 | 0 | 0 | 0 | 126.8 | ||||
| 10 | M | 65.4 | Low | 56.9 | Low | 168 Ų | 168 | 142.7 Ų | 142.7 | 83% | 0.828 | 80% | 0.8 | S | S | * | * | trans | -11.7 | 146.9 | 144.7 | -176.6 | 163.1 | 109.3 | 0 | 0 | 121.2 | ||||
| 11 | P | 49.9 | Very low | 57.1 | Low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | -155.4 | 153.6 | 92.9 | 38.6 | -16.5 | 0 | 0 | 0 | 121.4 | |||||
| 12 | S | 45.4 | Very low | 56.8 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | 46.4 | 129.8 | 128.8 | -149.5 | 0 | 0 | 0 | 0 | 127.4 | |||||
| 13 | T | 45.4 | Very low | 56.5 | Low | 119 Ų | 119 | 134.4 Ų | 134.4 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 68.9 | 123.9 | 138.5 | -52 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 14 | S | 48.8 | Very low | 56.8 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 49 | 108.7 | 151.6 | -62.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 15 | Q | 61 | Low | 57 | Low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -143.8 | 122 | 145.4 | -67.9 | -169.9 | 27 | 0 | 0 | 112.1 | R17 | Q15-R17 PolarHBondContact O-N 3.14Š| ||
| 16 | S | 48.9 | Very low | 56.9 | Low | 123 Ų | 123 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -62.8 | 115.9 | 171 | -47 | 0 | 0 | 0 | 0 | 110.5 | V18 | S16-V18 PolarHBondContact O-N 3.38Š| ||
| 17 | R | 67.5 | Low | 57.2 | Low | 246 Ų | 246 | 138.9 Ų | 138.9 | 93% | 0.928 | 76% | 0.757 | S | S | * | * | trans | -77.8 | 107.9 | -172.9 | -150.6 | 176.4 | -165 | -156.9 | 4.8 | 111.4 | Q15 | Q15-R17 PolarHBondContact O-N 3.14Š| ||
| 18 | V | 60.8 | Low | 57.2 | Low | 121 Ų | 121 | 140.6 Ų | 140.6 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -55.5 | 132.7 | 173.3 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | S16 V20 | S16-V18 PolarHBondContact O-N 3.38Å; V18-V20 HydrophobicContact CB-CG2 4.28Å; V18-V20 HydrophobicContact CG2-CG2 4.1Å; V18-V20 PolarHBondContact O-N 3.05Å; V18-V20 VanDerWaalsContact O-N 3.15Å | ||
| 19 | K | 58.3 | Low | 57.5 | Low | 211 Ų | 211 | 138.6 Ų | 138.6 | 92% | 0.917 | 74% | 0.737 | S | S | * | * | trans | -79.3 | 85.4 | 170.6 | -72.9 | 175.1 | 179.9 | 168.7 | 0 | 109.5 | ||||
| 20 | V | 58.4 | Low | 58.2 | Low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | -107.7 | 89.1 | 168.5 | -174.7 | 0 | 0 | 0 | 0 | 108.5 | V18 | V18-V20 HydrophobicContact CB-CG2 4.28Å; V18-V20 HydrophobicContact CG2-CG2 4.1Å; V18-V20 PolarHBondContact O-N 3.05Å; V18-V20 VanDerWaalsContact O-N 3.15Å | ||
| 21 | A | 60.9 | Low | 58.3 | Low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | trans | -152 | 55.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | S | 55.4 | Low | 59.4 | Low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -149.5 | -13.8 | 171 | 27.2 | 0 | 0 | 0 | 0 | 116.9 | S24 | S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 2.91Å |
| 23 | T | 57 | Low | 61 | Low | 111 Ų | 111 | 135.6 Ų | 135.6 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -73.6 | -17.7 | 172.7 | 33.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 24 | S | 63.6 | Low | 62.9 | Low | 64 Ų | 64 | 133.1 Ų | 133.1 | 45% | 0.448 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -80.5 | -21 | -171.3 | -157.6 | 0 | 0 | 0 | 0 | 115.1 | S22 R28 | S22-S24 VanDerWaalsContact C-N 3.28Å; S22-S24 PolarHBondContact O-N 2.91Å; S24-R28 WeakPolarHBondContact O-CG 3.28Å; S24-R28 PolarHBondContact O-N 2.91Å; S24-R28 PolarHBondContact O-NE 3.06Å |
| 25 | R | 59.7 | Low | 64.6 | Low | 188 Ų | 188 | 132.4 Ų | 132.4 | 71% | 0.709 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.8 | -42.5 | -178.2 | -116.1 | -175.2 | -87.2 | -157.8 | -3.5 | 112.8 | R28 N29 | R25-R28 PolarHBondContact O-N 2.78Å; R25-N29 PolarHBondContact O-N 2.85Å; R25-N29 VanDerWaalsContact O-N 3.1Å; R25-N29 PolarHBondContact O-OD1 3.35Å |
| 26 | R | 62.5 | Low | 66 | Low | 218 Ų | 218 | 128.8 Ų | 128.8 | 82% | 0.823 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.2 | -43.9 | 179.7 | -75.7 | -176.1 | 177.5 | 176.3 | -0.8 | 112.4 | M30 | R26-M30 PolarHBondContact O-N 2.85Å; R26-M30 VanDerWaalsContact O-N 3.12Å |
| 27 | L | 64.2 | Low | 68 | Low | 106 Ų | 106 | 128.4 Ų | 128.4 | 56% | 0.555 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.8 | -44.9 | 179 | -67.6 | 173.9 | 0 | 0 | 0 | 112.1 | N29 M30 Q31 | L27-N29 PolarHBondContact O-N 3.39Å; L27-M30 PolarHBondContact O-N 3.28Å; L27-Q31 WeakPolarHBondContact O-CG 3.36Å; L27-Q31 PolarHBondContact O-N 3.46Å |
| 28 | R | 61.7 | Low | 69 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 54% | 0.543 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -60.8 | -45.3 | 177.1 | -76 | -176.5 | -71.2 | -175.6 | 0.5 | 112.5 | S24 R25 M30 Q31 S32 | S24-R28 WeakPolarHBondContact O-CG 3.28Å; S24-R28 PolarHBondContact O-N 2.91Å; S24-R28 PolarHBondContact O-NE 3.06Å; R25-R28 PolarHBondContact O-N 2.78Å; R28-M30 VanDerWaalsContact C-N 3.29Å; R28-M30 PolarHBondContact O-N 2.89Å; R28-Q31 PolarHBondContact O-N 2.81Å; R28-S32 PolarHBondContact O-N 3.12Å |
| 29 | N | 63 | Low | 70.4 | Confident | 104 Ų | 104 | 121.4 Ų | 121.4 | 56% | 0.556 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65.1 | -34 | 179 | -70.6 | 9.2 | 0 | 0 | 0 | 112.3 | R25 L27 K33 | R25-N29 PolarHBondContact O-N 2.85Å; R25-N29 VanDerWaalsContact O-N 3.1Å; R25-N29 PolarHBondContact O-OD1 3.35Å; L27-N29 PolarHBondContact O-N 3.39Å; N29-K33 PolarHBondContact O-N 2.85Å |
| 30 | M | 64.9 | Low | 71.9 | Confident | 133 Ų | 133 | 119.1 Ų | 119.1 | 66% | 0.655 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.7 | -36.4 | 177 | -161 | 150.5 | 71.7 | 0 | 0 | 112 | R26 L27 R28 S34 | R26-M30 PolarHBondContact O-N 2.85Å; R26-M30 VanDerWaalsContact O-N 3.12Å; L27-M30 PolarHBondContact O-N 3.28Å; R28-M30 VanDerWaalsContact C-N 3.29Å; R28-M30 PolarHBondContact O-N 2.89Å; M30-S34 PolarHBondContact O-N 3.19Å |
| 31 | Q | 66.6 | Low | 73.5 | Confident | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 173.3 | -74.6 | 178.3 | -19.7 | 0 | 0 | 112.6 | L27 R28 K33 S34 I35 | L27-Q31 WeakPolarHBondContact O-CG 3.36Å; L27-Q31 PolarHBondContact O-N 3.46Å; R28-Q31 PolarHBondContact O-N 2.81Å; Q31-K33 PolarHBondContact O-N 2.76Å; Q31-S34 WeakPolarHBondContact O-CB 3.41Å; Q31-S34 PolarHBondContact O-N 2.94Å; Q31-S34 VanDerWaalsContact O-N 3.16Å; Q31-I35 PolarHBondContact O-N 3.46Å |
| 32 | S | 73.1 | Confident | 75 | Confident | 60 Ų | 60 | 113.3 Ų | 113.3 | 42% | 0.42 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.5 | -49 | 178.3 | -160.9 | 0 | 0 | 0 | 0 | 111.8 | R28 S34 I35 E36 | R28-S32 PolarHBondContact O-N 3.12Å; S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 2.73Å; S32-I35 PolarHBondContact O-N 2.99Å; S32-E36 WeakPolarHBondContact O-CG 3.3Å; S32-E36 PolarHBondContact O-N 2.74Å; S32-E36 PolarHBondContact OG-OE1 2.84Å; S32-E36 VanDerWaalsContact OG-OE1 3.13Å |
| 33 | K | 79.2 | Confident | 76.6 | Confident | 156 Ų | 156 | 112.7 Ų | 112.7 | 68% | 0.678 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.5 | -35.4 | 178.2 | -69 | -177.7 | 177.7 | -174.4 | 0 | 112.8 | N29 Q31 W37 | N29-K33 PolarHBondContact O-N 2.85Å; Q31-K33 PolarHBondContact O-N 2.76Å; K33-W37 WeakPolarHBondContact O-CB 3.39Å; K33-W37 PolarHBondContact O-N 3.18Å; K33-W37 VanDerWaalsContact O-N 3.11Å |
| 34 | S | 85.1 | Confident | 78.1 | Confident | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 179 | -170.1 | 0 | 0 | 0 | 0 | 111.9 | M30 Q31 S32 W37 L38 | M30-S34 PolarHBondContact O-N 3.19Å; Q31-S34 WeakPolarHBondContact O-CB 3.41Å; Q31-S34 PolarHBondContact O-N 2.94Å; Q31-S34 VanDerWaalsContact O-N 3.16Å; S32-S34 VanDerWaalsContact C-N 3.27Å; S32-S34 PolarHBondContact O-N 2.73Å; S34-W37 PolarHBondContact O-N 3.12Å; S34-L38 PolarHBondContact O-N 3.49Å; S34-L38 VanDerWaalsContact O-N 3.15Å |
| 35 | I | 85.9 | Confident | 79.2 | Confident | 95 Ų | 95 | 113.8 Ų | 113.8 | 49% | 0.487 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.9 | -46.7 | 178.8 | -66.8 | 171.5 | 0 | 0 | 0 | 110.3 | Q31 S32 W37 L38 H39 | Q31-I35 PolarHBondContact O-N 3.46Å; S32-I35 PolarHBondContact O-N 2.99Å; I35-W37 VanDerWaalsContact C-N 3.27Å; I35-W37 PolarHBondContact O-N 3.4Å; I35-L38 WeakPolarHBondContact O-CB 3.28Å; I35-L38 PolarHBondContact O-N 3.4Å; I35-H39 PolarHBondContact O-CD2 3.44Å; I35-H39 VanDerWaalsContact O-CD2 3.23Å; I35-H39 PolarHBondContact O-N 3.12Å |
| 36 | E | 89.2 | Confident | 80.4 | Confident | 119 Ų | 119 | 111.9 Ų | 111.9 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -55.1 | -43 | 175.9 | -74.2 | 164.7 | -150.9 | 0 | 0 | 112 | S32 L38 H39 Q40 | S32-E36 WeakPolarHBondContact O-CG 3.3Å; S32-E36 PolarHBondContact O-N 2.74Å; S32-E36 PolarHBondContact OG-OE1 2.84Å; S32-E36 VanDerWaalsContact OG-OE1 3.13Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.37Å; E36-H39 PolarHBondContact O-N 2.81Å; E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 VanDerWaalsContact O-N 3.08Å |
| 37 | W | 90.6 | Very high | 81.7 | Confident | 115 Ų | 115 | 102.4 Ų | 102.4 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 175.2 | 178.3 | 88.2 | 0 | 0 | 0 | 112.7 | K33 S34 I35 Q40 T41 F51 | K33-W37 WeakPolarHBondContact O-CB 3.39Å; K33-W37 PolarHBondContact O-N 3.18Å; K33-W37 VanDerWaalsContact O-N 3.11Å; S34-W37 PolarHBondContact O-N 3.12Å; I35-W37 VanDerWaalsContact C-N 3.27Å; I35-W37 PolarHBondContact O-N 3.4Å; W37-Q40 PolarHBondContact O-N 3.07Å; W37-T41 HydrophobicContact CD2-CG2 4.1Å; W37-T41 HydrophobicContact CG-CG2 4.38Å; W37-T41 WeakPolarHBondContact CH2-OG1 3.34Å; W37-T41 HydrophobicContact CZ2-CG2 3.76Å; W37-T41 WeakPolarHBondContact CZ2-OG1 3.42Å; W37-T41 WeakPolarHBondContact CZ3-OG1 3.15Å; W37-T41 WeakPolarHBondContact O-CB 3.37Å; W37-T41 PolarHBondContact O-N 2.85Å; W37-T41 PolarHBondContact O-OG1 3.12Å; W37-F51 AromaticContact CH2-CE2 3.7Å; W37-F51 HydrophobicContact CH2-CE2 3.7Å; W37-F51 AromaticContact CH2-CZ 3.65Å; W37-F51 HydrophobicContact CH2-CZ 3.65Å; W37-F51 HydrophobicContact CZ2-CE2 4.25Å |
| 38 | L | 89.8 | Confident | 82.9 | Confident | 80 Ų | 80 | 98.6 Ų | 98.6 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.6 | -76.3 | 168.3 | 0 | 0 | 0 | 111.5 | S34 I35 E36 Q40 T41 V42 | S34-L38 PolarHBondContact O-N 3.49Å; S34-L38 VanDerWaalsContact O-N 3.15Å; I35-L38 WeakPolarHBondContact O-CB 3.28Å; I35-L38 PolarHBondContact O-N 3.4Å; E36-L38 VanDerWaalsContact C-N 3.34Å; E36-L38 PolarHBondContact O-N 3.37Å; L38-Q40 PolarHBondContact O-N 3.34Å; L38-T41 PolarHBondContact O-N 3.01Å; L38-V42 CarbonylContact O-C 3.38Å; L38-V42 WeakPolarHBondContact O-CA 3.33Å; L38-V42 PolarHBondContact O-N 3.05Å |
| 39 | H | 89.4 | Confident | 84 | Confident | 140 Ų | 140 | 92.6 Ų | 92.6 | 65% | 0.648 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -34.5 | 176.4 | -78.5 | -84.4 | 0 | 0 | 0 | 112.5 | I35 E36 | I35-H39 PolarHBondContact O-CD2 3.44Å; I35-H39 VanDerWaalsContact O-CD2 3.23Å; I35-H39 PolarHBondContact O-N 3.12Å; E36-H39 PolarHBondContact O-N 2.81Å |
| 40 | Q | 91.2 | Very high | 85.2 | Confident | 164 Ų | 164 | 93.4 Ų | 93.4 | 77% | 0.766 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -78.8 | -37.2 | -179.9 | -167.5 | 174.8 | 27.7 | 0 | 0 | 113.2 | E36 W37 L38 | E36-Q40 PolarHBondContact O-N 3.3Å; E36-Q40 VanDerWaalsContact O-N 3.08Å; W37-Q40 PolarHBondContact O-N 3.07Å; L38-Q40 PolarHBondContact O-N 3.34Å |
| 41 | T | 90.9 | Very high | 86.4 | Confident | 53 Ų | 53 | 90.4 Ų | 90.4 | 33% | 0.325 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -97.5 | -26 | -173.3 | 56 | 0 | 0 | 0 | 0 | 114.1 | W37 L38 P43 | W37-T41 HydrophobicContact CD2-CG2 4.1Å; W37-T41 HydrophobicContact CG-CG2 4.38Å; W37-T41 WeakPolarHBondContact CH2-OG1 3.34Å; W37-T41 HydrophobicContact CZ2-CG2 3.76Å; W37-T41 WeakPolarHBondContact CZ2-OG1 3.42Å; W37-T41 WeakPolarHBondContact CZ3-OG1 3.15Å; W37-T41 WeakPolarHBondContact O-CB 3.37Å; W37-T41 PolarHBondContact O-N 2.85Å; W37-T41 PolarHBondContact O-OG1 3.12Å; L38-T41 PolarHBondContact O-N 3.01Å; T41-P43 VanDerWaalsContact C-CD 3.41Å |
| 42 | V | 92 | Very high | 87.6 | Confident | 31 Ų | 31 | 86.5 Ų | 86.5 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | trans | -129.9 | 65.2 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | L38 D44 A48 F51 | L38-V42 CarbonylContact O-C 3.38Å; L38-V42 WeakPolarHBondContact O-CA 3.33Å; L38-V42 PolarHBondContact O-N 3.05Å; V42-D44 VanDerWaalsContact C-N 3.32Å; V42-D44 PolarHBondContact O-N 3.47Å; V42-A48 HydrophobicContact CG1-CB 3.36Å; V42-F51 HydrophobicContact CG2-CB 4.23Å; V42-F51 HydrophobicContact CG2-CD1 4.47Å; V42-F51 HydrophobicContact CG2-CG 4.17Å | ||
| 43 | P | 89.9 | Confident | 88.4 | Confident | 93 Ų | 93 | 86 Ų | 86 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | trans | -72.6 | -24.9 | -173.6 | 29.2 | -37.1 | 0 | 0 | 0 | 113.6 | T41 A47 | T41-P43 VanDerWaalsContact C-CD 3.41Å; P43-A47 HydrophobicContact CG-CB 4.36Å | ||
| 44 | D | 88.3 | Confident | 88.9 | Confident | 88 Ų | 88 | 82 Ų | 82 | 47% | 0.471 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -139.1 | 170.5 | -178.6 | 67.8 | 37.1 | 0 | 0 | 0 | 111.6 | V42 K46 A47 A48 | V42-D44 VanDerWaalsContact C-N 3.32Å; V42-D44 PolarHBondContact O-N 3.47Å; D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.91Å; D44-K46 WeakPolarHBondContact OD1-CA 3.41Å; D44-K46 WeakPolarHBondContact OD1-CB 3.5Å; D44-K46 PolarHBondContact OD1-N 3.49Å; D44-A47 PolarHBondContact O-N 2.99Å; D44-A47 WeakPolarHBondContact OD1-CB 3.4Å; D44-A47 PolarHBondContact OD1-N 3.24Å; D44-A48 PolarHBondContact O-N 3.36Å |
| 45 | E | 86.5 | Confident | 89.2 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -62.2 | -34.6 | -179.9 | -174.9 | 176.9 | -176.3 | 0 | 0 | 112.6 | A48 V49 M78 | E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.04Å; E45-V49 WeakPolarHBondContact O-CG2 3.48Å; E45-V49 PolarHBondContact O-N 3.18Å; E45-M78 WeakPolarHBondContact OE1-CE 3.35Å; E45-M78 WeakPolarHBondContact OE2-CE 3.22Å |
| 46 | K | 85.3 | Confident | 89.3 | Confident | 147 Ų | 147 | 83.8 Ų | 83.8 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -67.1 | -42.7 | -179.4 | -178 | -175.1 | 176.2 | -172.4 | 0 | 110.9 | D44 A48 V49 Q50 | D44-K46 VanDerWaalsContact C-N 3.26Å; D44-K46 PolarHBondContact O-N 2.91Å; D44-K46 WeakPolarHBondContact OD1-CA 3.41Å; D44-K46 WeakPolarHBondContact OD1-CB 3.5Å; D44-K46 PolarHBondContact OD1-N 3.49Å; K46-A48 VanDerWaalsContact C-N 3.3Å; K46-V49 PolarHBondContact O-N 3.1Å; K46-Q50 WeakPolarHBondContact O-CG 3.3Å; K46-Q50 PolarHBondContact O-N 3.29Å |
| 47 | A | 88.7 | Confident | 89.5 | Confident | 20 Ų | 20 | 81.2 Ų | 81.2 | 17% | 0.165 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.1 | -38.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P43 D44 V49 Q50 F51 | P43-A47 HydrophobicContact CG-CB 4.36Å; D44-A47 PolarHBondContact O-N 2.99Å; D44-A47 WeakPolarHBondContact OD1-CB 3.4Å; D44-A47 PolarHBondContact OD1-N 3.24Å; A47-V49 PolarHBondContact O-N 3.44Å; A47-Q50 PolarHBondContact O-N 3.43Å; A47-F51 VanDerWaalsContact O-CB 3.29Å; A47-F51 WeakPolarHBondContact O-CB 3.4Å; A47-F51 PolarHBondContact O-N 2.96Å |
| 48 | A | 89.8 | Confident | 89.5 | Confident | 26 Ų | 26 | 76 Ų | 76 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V42 D44 E45 K46 Q50 F51 L52 | V42-A48 HydrophobicContact CG1-CB 3.36Å; D44-A48 PolarHBondContact O-N 3.36Å; E45-A48 WeakPolarHBondContact O-CB 3.32Å; E45-A48 PolarHBondContact O-N 3.04Å; K46-A48 VanDerWaalsContact C-N 3.3Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.03Å; A48-F51 PolarHBondContact O-N 3.38Å; A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 VanDerWaalsContact O-CG 3.22Å; A48-L52 WeakPolarHBondContact O-CG 3.38Å; A48-L52 PolarHBondContact O-N 2.02Å |
| 49 | V | 85.5 | Confident | 89.5 | Confident | 18 Ų | 18 | 75.3 Ų | 75.3 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 177.3 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | E45 K46 A47 R53 L58 | E45-V49 WeakPolarHBondContact O-CG2 3.48Å; E45-V49 PolarHBondContact O-N 3.18Å; K46-V49 PolarHBondContact O-N 3.1Å; A47-V49 PolarHBondContact O-N 3.44Å; V49-R53 VanDerWaalsContact O-CG 3.27Å; V49-R53 WeakPolarHBondContact O-CG 3.38Å; V49-R53 PolarHBondContact O-N 3.06Å; V49-L58 HydrophobicContact CG1-CD1 4.34Å |
| 50 | Q | 86.7 | Confident | 89.5 | Confident | 120 Ų | 120 | 72.2 Ų | 72.2 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.7 | -44.9 | 177.5 | -73.5 | -179.1 | -7.3 | 0 | 0 | 112.4 | K46 A47 A48 L52 R53 G54 | K46-Q50 WeakPolarHBondContact O-CG 3.3Å; K46-Q50 PolarHBondContact O-N 3.29Å; A47-Q50 PolarHBondContact O-N 3.43Å; A48-Q50 VanDerWaalsContact C-N 3.34Å; A48-Q50 PolarHBondContact O-N 3.03Å; Q50-L52 PolarHBondContact O-N 3.06Å; Q50-R53 PolarHBondContact O-N 2.92Å; Q50-G54 PolarHBondContact O-N 3.25Å |
| 51 | F | 90.6 | Very high | 89.3 | Confident | 71 Ų | 71 | 70.8 Ų | 70.8 | 31% | 0.311 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -58.8 | -48.2 | 177.5 | 177.1 | -96.5 | 0 | 0 | 0 | 111.1 | W37 V42 A47 A48 R53 G54 K55 | W37-F51 AromaticContact CH2-CE2 3.7Å; W37-F51 HydrophobicContact CH2-CE2 3.7Å; W37-F51 AromaticContact CH2-CZ 3.65Å; W37-F51 HydrophobicContact CH2-CZ 3.65Å; W37-F51 HydrophobicContact CZ2-CE2 4.25Å; V42-F51 HydrophobicContact CG2-CB 4.23Å; V42-F51 HydrophobicContact CG2-CD1 4.47Å; V42-F51 HydrophobicContact CG2-CG 4.17Å; A47-F51 VanDerWaalsContact O-CB 3.29Å; A47-F51 WeakPolarHBondContact O-CB 3.4Å; A47-F51 PolarHBondContact O-N 2.96Å; A48-F51 PolarHBondContact O-N 3.38Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.32Å; F51-G54 PolarHBondContact O-N 3.37Å; F51-K55 HydrophobicContact CD1-CG 4.41Å; F51-K55 HydrophobicContact CE1-CG 3.97Å; F51-K55 HydrophobicContact CE2-CG 4.35Å; F51-K55 HydrophobicContact CZ-CD 4.38Å; F51-K55 HydrophobicContact CZ-CG 3.93Å; F51-K55 WeakPolarHBondContact O-CG 3.08Å; F51-K55 PolarHBondContact O-N 3.37Å |
| 52 | L | 91.6 | Very high | 89.3 | Confident | 42 Ų | 42 | 70 Ų | 70 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 179.5 | -67.6 | 173.5 | 0 | 0 | 0 | 112.5 | A48 Q50 K55 G56 L57 L58 F99 | A48-L52 WeakPolarHBondContact O-CB 3.35Å; A48-L52 VanDerWaalsContact O-CG 3.22Å; A48-L52 WeakPolarHBondContact O-CG 3.38Å; A48-L52 PolarHBondContact O-N 2.02Å; Q50-L52 PolarHBondContact O-N 3.06Å; L52-K55 PolarHBondContact O-N 3.25Å; L52-G56 PolarHBondContact O-N 3.42Å; L52-L57 HydrophobicContact CB-CB 4.41Å; L52-L57 HydrophobicContact CD2-CB 4.21Å; L52-L57 HydrophobicContact CD2-CD1 3.71Å; L52-L57 PolarHBondContact O-N 3.21Å; L52-L58 HydrophobicContact CB-CB 4.32Å; L52-L58 HydrophobicContact CB-CD1 3.75Å; L52-L58 HydrophobicContact CB-CG 3.82Å; L52-L58 HydrophobicContact CD1-CD1 3.9Å; L52-L58 HydrophobicContact CD1-CG 4.34Å; L52-L58 PolarHBondContact O-N 3.27Å; L52-F99 HydrophobicContact CD1-CE2 4.19Å; L52-F99 HydrophobicContact CD2-CE2 4.23Å; L52-F99 HydrophobicContact CD2-CZ 4.25Å |
| 53 | R | 90 | Very high | 89.3 | Confident | 50 Ų | 50 | 73.6 Ų | 73.6 | 19% | 0.189 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 171.8 | -73.1 | 175 | -174.9 | -171.5 | 4.8 | 112 | V49 Q50 F51 K55 G56 L58 | V49-R53 VanDerWaalsContact O-CG 3.27Å; V49-R53 WeakPolarHBondContact O-CG 3.38Å; V49-R53 PolarHBondContact O-N 3.06Å; Q50-R53 PolarHBondContact O-N 2.92Å; F51-R53 VanDerWaalsContact C-N 3.31Å; F51-R53 PolarHBondContact O-N 3.32Å; R53-K55 PolarHBondContact O-N 2.71Å; R53-G56 PolarHBondContact O-N 2.95Å; R53-L58 HydrophobicContact CG-CB 3.86Å |
| 54 | G | 89.5 | Confident | 89.5 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 73% | 0.732 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.1 | -28.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q50 F51 | Q50-G54 PolarHBondContact O-N 3.25Å; F51-G54 PolarHBondContact O-N 3.37Å |
| 55 | K | 91.6 | Very high | 89.6 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 61% | 0.609 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -2.4 | 174 | -64 | -62.6 | -174.9 | 179.2 | 0 | 114.3 | F51 L52 R53 L57 | F51-K55 HydrophobicContact CD1-CG 4.41Å; F51-K55 HydrophobicContact CE1-CG 3.97Å; F51-K55 HydrophobicContact CE2-CG 4.35Å; F51-K55 HydrophobicContact CZ-CD 4.38Å; F51-K55 HydrophobicContact CZ-CG 3.93Å; F51-K55 WeakPolarHBondContact O-CG 3.08Å; F51-K55 PolarHBondContact O-N 3.37Å; L52-K55 PolarHBondContact O-N 3.25Å; R53-K55 PolarHBondContact O-N 2.71Å; K55-L57 HydrophobicContact CB-CD1 4.21Å; K55-L57 HydrophobicContact CB-CG 4.09Å; K55-L57 PolarHBondContact O-N 3.35Å |
| 56 | G | 89.4 | Confident | 89.8 | Confident | 61 Ų | 61 | 67.8 Ų | 67.8 | 63% | 0.629 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 10.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L52 R53 | L52-G56 PolarHBondContact O-N 3.42Å; R53-G56 PolarHBondContact O-N 2.95Å |
| 57 | L | 91.4 | Very high | 90.2 | Very high | 64 Ų | 64 | 62.5 Ų | 62.5 | 34% | 0.335 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -80.2 | -22.8 | 177.9 | -63.3 | 176.6 | 0 | 0 | 0 | 112.3 | L52 K55 T97 F99 | L52-L57 HydrophobicContact CB-CB 4.41Å; L52-L57 HydrophobicContact CD2-CB 4.21Å; L52-L57 HydrophobicContact CD2-CD1 3.71Å; L52-L57 PolarHBondContact O-N 3.21Å; K55-L57 HydrophobicContact CB-CD1 4.21Å; K55-L57 HydrophobicContact CB-CG 4.09Å; K55-L57 PolarHBondContact O-N 3.35Å; L57-T97 VanDerWaalsContact O-CB 3.3Å; L57-T97 WeakPolarHBondContact O-CB 3.43Å; L57-F99 HydrophobicContact CB-CE2 4.08Å |
| 58 | L | 90.8 | Very high | 90.3 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.037 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -120.9 | 151.7 | 167.1 | -68.6 | 179.7 | 0 | 0 | 0 | 109.4 | V49 L52 R53 S60 V93 T97 F99 | V49-L58 HydrophobicContact CG1-CD1 4.34Å; L52-L58 HydrophobicContact CB-CB 4.32Å; L52-L58 HydrophobicContact CB-CD1 3.75Å; L52-L58 HydrophobicContact CB-CG 3.82Å; L52-L58 HydrophobicContact CD1-CD1 3.9Å; L52-L58 HydrophobicContact CD1-CG 4.34Å; L52-L58 PolarHBondContact O-N 3.27Å; R53-L58 HydrophobicContact CG-CB 3.86Å; L58-S60 PolarHBondContact O-N 3.5Å; L58-V93 HydrophobicContact CD1-CG1 4.37Å; L58-V93 HydrophobicContact CD1-CG2 4.07Å; L58-V93 HydrophobicContact CD2-CG1 4.39Å; L58-V93 HydrophobicContact CD2-CG2 4.33Å; L58-T97 HydrophobicContact CD2-CG2 4.01Å; L58-F99 HydrophobicContact CD2-CD2 3.93Å; L58-F99 HydrophobicContact CD2-CE2 4.47Å |
| 59 | H | 90.5 | Very high | 90.5 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 30% | 0.301 | 39% | 0.392 | S | S | . | . | trans | -66.7 | 133.6 | 175 | -64.4 | -3.4 | 0 | 0 | 0 | 110.6 | W80 G96 | H59-W80 HydrophobicContact CB-CZ2 4.12Å; H59-W80 WeakPolarHBondContact O-CZ2 3.35Å; H59-G96 PolarHBondContact CE1-O 3.21Å; H59-G96 VanDerWaalsContact CE1-O 3.24Å; H59-G96 PolarHBondContact NE2-O 2.98Å | ||
| 60 | S | 88.4 | Confident | 90.8 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 52% | 0.517 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -80 | -35.2 | 169.6 | -62 | 0 | 0 | 0 | 0 | 111.5 | L58 | L58-S60 PolarHBondContact O-N 3.5Š|
| 61 | E | 88.9 | Confident | 91.1 | Very high | 135 Ų | 135 | 70 Ų | 70 | 63% | 0.631 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -134 | 148.3 | 174.1 | -63.3 | -170.6 | 178.1 | 0 | 0 | 109.6 | ||
| 62 | R | 90.7 | Very high | 91 | Very high | 35 Ų | 35 | 73.6 Ų | 73.6 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.1 | -179.5 | -170.2 | 172.6 | -173.1 | -108.7 | 2.1 | 111.5 | M71 W80 T95 | R62-M71 HydrophobicContact CB-CB 4.5Å; R62-M71 HydrophobicContact CG-SD 4.11Å; R62-M71 PolarHBondContact NH1-SD 3.45Å; R62-M71 PolarHBondContact O-N 3.17Å; R62-W80 HydrophobicContact CB-CD2 3.75Å; R62-W80 HydrophobicContact CB-CE3 3.9Å; R62-W80 HydrophobicContact CB-CG 4.29Å; R62-W80 HydrophobicContact CB-CH2 4.16Å; R62-W80 HydrophobicContact CB-CZ2 4.02Å; R62-W80 HydrophobicContact CB-CZ3 4.09Å; R62-W80 HydrophobicContact CG-CD2 4.45Å; R62-T95 VanDerWaalsContact NH2-CG2 3.33Å |
| 63 | L | 92.1 | Very high | 90.8 | Very high | 107 Ų | 107 | 74.3 Ų | 74.3 | 56% | 0.56 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 145.5 | 170.5 | -58.8 | -177.2 | 0 | 0 | 0 | 110.6 | R70 | L63-R70 HydrophobicContact CD2-CG 3.79Å |
| 64 | C | 92.7 | Very high | 90.5 | Very high | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | trans | -69.2 | 124.3 | 175.7 | -180 | 0 | 0 | 0 | 0 | 109.4 | S66 C67 G68 Q69 M71 C82 | C64-S66 PolarHBondContact O-N 2.96Å; C64-S66 VanDerWaalsContact O-N 3.12Å; C64-C67 PolarHBondContact O-N 3.34Å; C64-C67 VanDerWaalsContact SG-SG 3.63Å; C64-G68 WeakPolarHBondContact O-CA 3.08Å; C64-G68 PolarHBondContact O-N 3.47Å; C64-Q69 VanDerWaalsContact CB-O 3.3Å; C64-Q69 WeakPolarHBondContact CB-O 2.88Å; C64-Q69 PolarHBondContact N-O 3.02Å; C64-M71 HydrophobicContact CB-CG 4.01Å; C64-M71 HydrophobicContact CB-SD 4.31Å; C64-C82 HydrophobicContact CB-CB 4.21Å | ||
| 65 | P | 89.9 | Confident | 89.9 | Confident | 92 Ų | 92 | 81.3 Ų | 81.3 | 60% | 0.597 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.6 | -178.8 | 27 | -35.4 | 0 | 0 | 0 | 113.1 | ||
| 66 | S | 91.5 | Very high | 89.2 | Confident | 76 Ų | 76 | 77.5 Ų | 77.5 | 53% | 0.531 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -24.9 | -177 | -62.3 | 0 | 0 | 0 | 0 | 114.1 | C64 K89 | C64-S66 PolarHBondContact O-N 2.96Å; C64-S66 VanDerWaalsContact O-N 3.12Å; S66-K89 WeakPolarHBondContact OG-CD 2.89Å; S66-K89 PolarHBondContact OG-NZ 2.81Å |
| 67 | C | 93.1 | Very high | 88.7 | Confident | 35 Ų | 35 | 75.2 Ų | 75.2 | 24% | 0.236 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 1.8 | -176.4 | 69.7 | 0 | 0 | 0 | 0 | 115.2 | C64 Q69 K84 C87 | C64-C67 PolarHBondContact O-N 3.34Å; C64-C67 VanDerWaalsContact SG-SG 3.63Å; C67-Q69 PolarHBondContact O-N 2.92Å; C67-K84 HydrophobicContact CB-CD 4.1Å; C67-C87 HydrophobicContact CB-CB 4.46Å |
| 68 | G | 92.5 | Very high | 88.1 | Confident | 45 Ų | 45 | 76 Ų | 76 | 46% | 0.464 | 40% | 0.403 | S | S | . | . | trans | 69.8 | -2.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C64 | C64-G68 WeakPolarHBondContact O-CA 3.08Å; C64-G68 PolarHBondContact O-N 3.47Å | ||
| 69 | Q | 92.7 | Very high | 88 | Confident | 107 Ų | 107 | 77.8 Ų | 77.8 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 148.9 | -178.9 | -65.9 | -60.8 | -53.9 | 0 | 0 | 112.2 | C64 C67 M71 K84 | C64-Q69 VanDerWaalsContact CB-O 3.3Å; C64-Q69 WeakPolarHBondContact CB-O 2.88Å; C64-Q69 PolarHBondContact N-O 3.02Å; C67-Q69 PolarHBondContact O-N 2.92Å; Q69-M71 PolarHBondContact O-N 3.05Å; Q69-K84 HydrophobicContact CG-CB 4.4Å; Q69-K84 HydrophobicContact CG-CD 4.22Å |
| 70 | R | 91.5 | Very high | 88 | Confident | 177 Ų | 177 | 74.8 Ų | 74.8 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 136.8 | 174.8 | -68.2 | -176.4 | 176.7 | -167.8 | -3.8 | 111 | L63 | L63-R70 HydrophobicContact CD2-CG 3.79Å |
| 71 | M | 92.9 | Very high | 88.2 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.064 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 145.7 | 172.3 | -58.7 | -177.2 | 80.8 | 0 | 0 | 109.2 | R62 C64 Q69 W80 S81 C82 K89 | R62-M71 HydrophobicContact CB-CB 4.5Å; R62-M71 HydrophobicContact CG-SD 4.11Å; R62-M71 PolarHBondContact NH1-SD 3.45Å; R62-M71 PolarHBondContact O-N 3.17Å; C64-M71 HydrophobicContact CB-CG 4.01Å; C64-M71 HydrophobicContact CB-SD 4.31Å; Q69-M71 PolarHBondContact O-N 3.05Å; M71-W80 HydrophobicContact CB-CB 4.11Å; M71-W80 HydrophobicContact CB-CD2 4.43Å; M71-W80 HydrophobicContact CB-CE3 3.78Å; M71-W80 HydrophobicContact CE-CB 3.53Å; M71-W80 WeakPolarHBondContact CE-O 3.39Å; M71-W80 WeakPolarHBondContact O-CZ3 3.27Å; M71-W80 HydrophobicContact SD-CB 3.9Å; M71-S81 CarbonylContact C-O 3.5Å; M71-S81 WeakPolarHBondContact CA-O 3.41Å; M71-C82 HydrophobicContact CE-CB 4.5Å; M71-C82 HydrophobicContact CG-CB 4.47Å; M71-K89 VanDerWaalsContact CE-O 3.28Å; M71-K89 WeakPolarHBondContact CE-O 3.46Å |
| 72 | R | 89.6 | Confident | 88.4 | Confident | 147 Ų | 147 | 66.7 Ų | 66.7 | 56% | 0.555 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 148 | 170.7 | 65.4 | -179.4 | -179.5 | -177 | 1.2 | 109.9 | G74 W80 S81 | R72-G74 PolarHBondContact O-N 2.91Å; R72-W80 WeakPolarHBondContact O-CA 3.45Å; R72-S81 PolarHBondContact N-O 2.8Å; R72-S81 PolarHBondContact O-N 3.3Å |
| 73 | P | 86.6 | Confident | 88.3 | Confident | 56 Ų | 56 | 72 Ų | 72 | 36% | 0.364 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 134.6 | 163.4 | -19.3 | 32 | 0 | 0 | 0 | 109.8 | T79 W80 | P73-T79 CarbonylContact C-O 3.52Å; P73-T79 WeakPolarHBondContact CA-O 3.34Å; P73-W80 HydrophobicContact CG-CE3 4.5Å; P73-W80 HydrophobicContact CG-CH2 4.23Å; P73-W80 HydrophobicContact CG-CZ3 3.92Å |
| 74 | G | 83.3 | Confident | 88.1 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | trans | -71.2 | 177.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | R72 G76 G77 T79 | R72-G74 PolarHBondContact O-N 2.91Å; G74-G76 PolarHBondContact O-N 2.72Å; G74-G77 PolarHBondContact O-N 3.31Å; G74-T79 PolarHBondContact N-O 3.38Å | ||
| 75 | R | 78.3 | Confident | 87.9 | Confident | 251 Ų | 251 | 81.3 Ų | 81.3 | 95% | 0.947 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 134.2 | 172.5 | -62 | -170.6 | -160.2 | -135.4 | 6.8 | 108.9 | G77 | R75-G77 PolarHBondContact O-N 3.08Š|
| 76 | G | 76.5 | Confident | 88 | Confident | 60 Ų | 60 | 81.8 Ų | 81.8 | 62% | 0.619 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | -7.4 | -174 | 0 | 0 | 0 | 0 | 0 | 115.2 | G74 M78 | G74-G76 PolarHBondContact O-N 2.72Å; G76-M78 PolarHBondContact O-N 3.31Å |
| 77 | G | 77.9 | Confident | 87.9 | Confident | 14 Ų | 14 | 79.9 Ų | 79.9 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | S | Bend | trans | 72.1 | 4.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G74 R75 | G74-G77 PolarHBondContact O-N 3.31Å; R75-G77 PolarHBondContact O-N 3.08Å |
| 78 | M | 79.7 | Confident | 87.6 | Confident | 79 Ų | 79 | 86.8 Ų | 86.8 | 39% | 0.389 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -82.1 | -19.5 | -178.6 | -61.2 | 163.5 | -179.6 | 0 | 0 | 113.7 | E45 G76 V93 | E45-M78 WeakPolarHBondContact OE1-CE 3.35Å; E45-M78 WeakPolarHBondContact OE2-CE 3.22Å; G76-M78 PolarHBondContact O-N 3.31Å; M78-V93 WeakPolarHBondContact O-CB 3.4Å; M78-V93 WeakPolarHBondContact O-CG1 3.41Å; M78-V93 PolarHBondContact O-N 3.03Å |
| 79 | T | 88.4 | Confident | 87.5 | Confident | 45 Ų | 45 | 89.2 Ų | 89.2 | 28% | 0.276 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.7 | -177.7 | 57.3 | 0 | 0 | 0 | 0 | 111.2 | P73 G74 G91 | P73-T79 CarbonylContact C-O 3.52Å; P73-T79 WeakPolarHBondContact CA-O 3.34Å; G74-T79 PolarHBondContact N-O 3.38Å; T79-G91 CarbonylContact C-O 3.46Å; T79-G91 WeakPolarHBondContact CA-O 3.42Å |
| 80 | W | 91.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 89.5 Ų | 89.5 | 1% | 0.008 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.5 | 164.6 | -70.7 | 104.8 | 0 | 0 | 0 | 108.4 | H59 R62 M71 R72 P73 D90 G91 | H59-W80 HydrophobicContact CB-CZ2 4.12Å; H59-W80 WeakPolarHBondContact O-CZ2 3.35Å; R62-W80 HydrophobicContact CB-CD2 3.75Å; R62-W80 HydrophobicContact CB-CE3 3.9Å; R62-W80 HydrophobicContact CB-CG 4.29Å; R62-W80 HydrophobicContact CB-CH2 4.16Å; R62-W80 HydrophobicContact CB-CZ2 4.02Å; R62-W80 HydrophobicContact CB-CZ3 4.09Å; R62-W80 HydrophobicContact CG-CD2 4.45Å; M71-W80 HydrophobicContact CB-CB 4.11Å; M71-W80 HydrophobicContact CB-CD2 4.43Å; M71-W80 HydrophobicContact CB-CE3 3.78Å; M71-W80 HydrophobicContact CE-CB 3.53Å; M71-W80 WeakPolarHBondContact CE-O 3.39Å; M71-W80 WeakPolarHBondContact O-CZ3 3.27Å; M71-W80 HydrophobicContact SD-CB 3.9Å; R72-W80 WeakPolarHBondContact O-CA 3.45Å; P73-W80 HydrophobicContact CG-CE3 4.5Å; P73-W80 HydrophobicContact CG-CH2 4.23Å; P73-W80 HydrophobicContact CG-CZ3 3.92Å; W80-D90 CarbonylContact O-C 3.59Å; W80-D90 WeakPolarHBondContact O-CA 3.43Å; W80-G91 PolarHBondContact N-O 3.28Å; W80-G91 PolarHBondContact O-N 3.29Å |
| 81 | S | 91.8 | Very high | 87.1 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 22% | 0.217 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.7 | 172.8 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | M71 R72 | M71-S81 CarbonylContact C-O 3.5Å; M71-S81 WeakPolarHBondContact CA-O 3.41Å; R72-S81 PolarHBondContact N-O 2.8Å; R72-S81 PolarHBondContact O-N 3.3Å |
| 82 | C | 92.9 | Very high | 86.8 | Confident | 8 Ų | 8 | 82.4 Ų | 82.4 | 5% | 0.054 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129.8 | 171.9 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | C64 M71 K84 K89 | C64-C82 HydrophobicContact CB-CB 4.21Å; M71-C82 HydrophobicContact CE-CB 4.5Å; M71-C82 HydrophobicContact CG-CB 4.47Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K89 WeakPolarHBondContact CB-O 3.47Å; C82-K89 PolarHBondContact N-O 3.16Å |
| 83 | F | 88.3 | Confident | 86.7 | Confident | 146 Ų | 146 | 76 Ų | 76 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | trans | -74.4 | -24.6 | 178 | -177.7 | -101.4 | 0 | 0 | 0 | 113.1 | R85 | F83-R85 PolarHBondContact O-N 3.44Š| ||
| 84 | K | 89.3 | Confident | 86.8 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 41% | 0.409 | 37% | 0.373 | S | S | . | . | trans | -60.2 | 114.3 | -179.2 | -171.2 | 179.4 | -171.8 | 179.5 | 0 | 109.5 | C67 Q69 C82 S86 C87 R88 | C67-K84 HydrophobicContact CB-CD 4.1Å; Q69-K84 HydrophobicContact CG-CB 4.4Å; Q69-K84 HydrophobicContact CG-CD 4.22Å; C82-K84 VanDerWaalsContact C-N 3.34Å; K84-S86 VanDerWaalsContact CE-OG 3.28Å; K84-S86 WeakPolarHBondContact CE-OG 3.29Å; K84-S86 PolarHBondContact O-N 3.01Å; K84-S86 VanDerWaalsContact O-N 3.14Å; K84-C87 HydrophobicContact CB-CB 4.07Å; K84-C87 HydrophobicContact CD-CB 4.28Å; K84-C87 HydrophobicContact CG-CB 4.35Å; K84-C87 PolarHBondContact O-N 3.49Å; K84-R88 PolarHBondContact O-N 3.11Å | ||
| 85 | R | 87.7 | Confident | 87 | Confident | 213 Ų | 213 | 75.7 Ų | 75.7 | 80% | 0.804 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.5 | -175.8 | -72.6 | -175 | -178.3 | 172.2 | 1.7 | 113.8 | F83 R88 | F83-R85 PolarHBondContact O-N 3.44Å; R85-R88 WeakPolarHBondContact O-CG 3.44Å; R85-R88 PolarHBondContact O-NE 3.23Å |
| 86 | S | 91.6 | Very high | 87.3 | Confident | 101 Ų | 101 | 66.7 Ų | 66.7 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -13.3 | 178.2 | 72.6 | 0 | 0 | 0 | 0 | 113.9 | K84 | K84-S86 VanDerWaalsContact CE-OG 3.28Å; K84-S86 WeakPolarHBondContact CE-OG 3.29Å; K84-S86 PolarHBondContact O-N 3.01Å; K84-S86 VanDerWaalsContact O-N 3.14Å |
| 87 | C | 90.2 | Very high | 87.9 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 25% | 0.25 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | -54.8 | 179.5 | -177 | 0 | 0 | 0 | 0 | 111.3 | C67 K84 K89 | C67-C87 HydrophobicContact CB-CB 4.46Å; K84-C87 HydrophobicContact CB-CB 4.07Å; K84-C87 HydrophobicContact CD-CB 4.28Å; K84-C87 HydrophobicContact CG-CB 4.35Å; K84-C87 PolarHBondContact O-N 3.49Å; C87-K89 PolarHBondContact O-N 3.15Å |
| 88 | R | 87.2 | Confident | 88.3 | Confident | 180 Ų | 180 | 73.8 Ų | 73.8 | 68% | 0.679 | 37% | 0.372 | S | S | * | . | trans | 46.2 | 14.3 | -178.9 | -69.4 | -171.9 | -173.1 | -161.5 | 1.2 | 116.6 | K84 R85 D90 | K84-R88 PolarHBondContact O-N 3.11Å; R85-R88 WeakPolarHBondContact O-CG 3.44Å; R85-R88 PolarHBondContact O-NE 3.23Å; R88-D90 PolarHBondContact O-N 3.31Å | ||
| 89 | K | 89.8 | Confident | 88.5 | Confident | 95 Ų | 95 | 73 Ų | 73 | 41% | 0.413 | 37% | 0.367 | S | S | . | . | trans | -60.2 | 132.7 | -178.8 | -170.5 | 163.1 | -174.5 | 165.6 | 0 | 110.2 | S66 M71 C82 C87 | S66-K89 WeakPolarHBondContact OG-CD 2.89Å; S66-K89 PolarHBondContact OG-NZ 2.81Å; M71-K89 VanDerWaalsContact CE-O 3.28Å; M71-K89 WeakPolarHBondContact CE-O 3.46Å; C82-K89 WeakPolarHBondContact CB-O 3.47Å; C82-K89 PolarHBondContact N-O 3.16Å; C87-K89 PolarHBondContact O-N 3.15Å | ||
| 90 | D | 89.6 | Confident | 88.2 | Confident | 114 Ų | 114 | 72.6 Ų | 72.6 | 61% | 0.61 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 167.4 | 173.7 | 59.5 | -20.8 | 0 | 0 | 0 | 110.9 | W80 R88 | W80-D90 CarbonylContact O-C 3.59Å; W80-D90 WeakPolarHBondContact O-CA 3.43Å; R88-D90 PolarHBondContact O-N 3.31Å |
| 91 | G | 87.1 | Confident | 87.5 | Confident | 17 Ų | 17 | 76.8 Ų | 76.8 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 157.6 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | T79 W80 | T79-G91 CarbonylContact C-O 3.46Å; T79-G91 WeakPolarHBondContact CA-O 3.42Å; W80-G91 PolarHBondContact N-O 3.28Å; W80-G91 PolarHBondContact O-N 3.29Å |
| 92 | S | 86.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 82.8 Ų | 82.8 | 16% | 0.161 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 152.9 | 178.3 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | C94 T95 | S92-C94 PolarHBondContact O-N 3.06Å; S92-C94 VanDerWaalsContact O-N 3.12Å; S92-T95 PolarHBondContact N-OG1 3.02Å; S92-T95 PolarHBondContact O-N 3.25Å; S92-T95 VanDerWaalsContact O-N 3.07Å; S92-T95 PolarHBondContact O-OG1 3.44Å; S92-T95 PolarHBondContact OG-N 3.44Å; S92-T95 PolarHBondContact OG-OG1 2.99Å |
| 93 | V | 87.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 84.8 Ų | 84.8 | 7% | 0.073 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -25.8 | 174.8 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | L58 M78 T97 | L58-V93 HydrophobicContact CD1-CG1 4.37Å; L58-V93 HydrophobicContact CD1-CG2 4.07Å; L58-V93 HydrophobicContact CD2-CG1 4.39Å; L58-V93 HydrophobicContact CD2-CG2 4.33Å; M78-V93 WeakPolarHBondContact O-CB 3.4Å; M78-V93 WeakPolarHBondContact O-CG1 3.41Å; M78-V93 PolarHBondContact O-N 3.03Å; V93-T97 WeakPolarHBondContact O-CG2 3.39Å |
| 94 | C | 87.4 | Confident | 83.5 | Confident | 11 Ų | 11 | 83.6 Ų | 83.6 | 7% | 0.074 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11.6 | -179.9 | -49.5 | 0 | 0 | 0 | 0 | 114.9 | S92 G96 T97 F99 G100 C103 | S92-C94 PolarHBondContact O-N 3.06Å; S92-C94 VanDerWaalsContact O-N 3.12Å; C94-G96 PolarHBondContact O-N 2.97Å; C94-G96 VanDerWaalsContact O-N 3.12Å; C94-T97 WeakPolarHBondContact CA-OG1 3.4Å; C94-T97 PolarHBondContact O-N 3.27Å; C94-T97 PolarHBondContact O-OG1 3.38Å; C94-T97 VanDerWaalsContact O-OG1 3.04Å; C94-F99 HydrophobicContact CB-CB 3.84Å; C94-G100 WeakPolarHBondContact O-CA 3.42Å; C94-G100 PolarHBondContact O-N 3.13Å; C94-C103 HydrophobicContact CB-CB 3.52Å; C94-C103 WeakPolarHBondContact CB-SG 3.35Å; C94-C103 WeakPolarHBondContact SG-CB 3.45Å; C94-C103 CovalentContact SG-SG 2.02Å; C94-C103 PolarHBondContact SG-SG 2.95Å |
| 95 | T | 87.1 | Confident | 81.8 | Confident | 57 Ų | 57 | 84.4 Ų | 84.4 | 35% | 0.35 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 118.2 | -175.6 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | R62 S92 T97 | R62-T95 VanDerWaalsContact NH2-CG2 3.33Å; S92-T95 PolarHBondContact N-OG1 3.02Å; S92-T95 PolarHBondContact O-N 3.25Å; S92-T95 VanDerWaalsContact O-N 3.07Å; S92-T95 PolarHBondContact O-OG1 3.44Å; S92-T95 PolarHBondContact OG-N 3.44Å; S92-T95 PolarHBondContact OG-OG1 2.99Å; T95-T97 VanDerWaalsContact C-N 3.35Å |
| 96 | G | 85.5 | Confident | 80.1 | Confident | 61 Ų | 61 | 78.1 Ų | 78.1 | 63% | 0.629 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 9.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H59 C94 | H59-G96 PolarHBondContact CE1-O 3.21Å; H59-G96 VanDerWaalsContact CE1-O 3.24Å; H59-G96 PolarHBondContact NE2-O 2.98Å; C94-G96 PolarHBondContact O-N 2.97Å; C94-G96 VanDerWaalsContact O-N 3.12Å |
| 97 | T | 89.4 | Confident | 78.2 | Confident | 21 Ų | 21 | 77.7 Ų | 77.7 | 13% | 0.129 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -105.3 | 179.9 | 175 | 83 | 0 | 0 | 0 | 0 | 111.1 | L57 L58 V93 C94 T95 F99 G100 | L57-T97 VanDerWaalsContact O-CB 3.3Å; L57-T97 WeakPolarHBondContact O-CB 3.43Å; L58-T97 HydrophobicContact CD2-CG2 4.01Å; V93-T97 WeakPolarHBondContact O-CG2 3.39Å; C94-T97 WeakPolarHBondContact CA-OG1 3.4Å; C94-T97 PolarHBondContact O-N 3.27Å; C94-T97 PolarHBondContact O-OG1 3.38Å; C94-T97 VanDerWaalsContact O-OG1 3.04Å; T95-T97 VanDerWaalsContact C-N 3.35Å; T97-F99 PolarHBondContact O-N 3.12Å; T97-F99 VanDerWaalsContact O-N 3.1Å; T97-F99 PolarHBondContact OG1-N 3.1Å; T97-G100 PolarHBondContact O-N 3.27Å |
| 98 | W | 85.7 | Confident | 76 | Confident | 202 Ų | 202 | 80.3 Ų | 80.3 | 77% | 0.765 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -29.1 | 172.2 | -174.2 | -95.7 | 0 | 0 | 0 | 113.6 | G100 | W98-G100 VanDerWaalsContact C-N 3.31Š|
| 99 | F | 85.3 | Confident | 73.7 | Confident | 64 Ų | 64 | 75.4 Ų | 75.4 | 28% | 0.281 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.2 | 179.5 | -57.6 | -73.6 | 0 | 0 | 0 | 113.4 | L52 L57 L58 C94 T97 G101 K102 | L52-F99 HydrophobicContact CD1-CE2 4.19Å; L52-F99 HydrophobicContact CD2-CE2 4.23Å; L52-F99 HydrophobicContact CD2-CZ 4.25Å; L57-F99 HydrophobicContact CB-CE2 4.08Å; L58-F99 HydrophobicContact CD2-CD2 3.93Å; L58-F99 HydrophobicContact CD2-CE2 4.47Å; C94-F99 HydrophobicContact CB-CB 3.84Å; T97-F99 PolarHBondContact O-N 3.12Å; T97-F99 VanDerWaalsContact O-N 3.1Å; T97-F99 PolarHBondContact OG1-N 3.1Å; F99-G101 PolarHBondContact O-N 3.47Å; F99-K102 PolarHBondContact O-N 3.49Å |
| 100 | G | 81.2 | Confident | 71.4 | Confident | 35 Ų | 35 | 83.2 Ų | 83.2 | 36% | 0.361 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 131.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C94 T97 W98 K102 | C94-G100 WeakPolarHBondContact O-CA 3.42Å; C94-G100 PolarHBondContact O-N 3.13Å; T97-G100 PolarHBondContact O-N 3.27Å; W98-G100 VanDerWaalsContact C-N 3.31Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.49Å |
| 101 | G | 75.6 | Confident | 70.5 | Confident | 91 Ų | 91 | 81.7 Ų | 81.7 | 94% | 0.938 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -7.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | F99 | F99-G101 PolarHBondContact O-N 3.47Š|
| 102 | K | 70.3 | Confident | 69.6 | Low | 157 Ų | 157 | 85.1 Ų | 85.1 | 68% | 0.683 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -18.5 | 178.2 | -59.3 | -169.7 | -178 | 74.1 | 0 | 114.3 | F99 G100 T104 | F99-K102 PolarHBondContact O-N 3.49Å; G100-K102 VanDerWaalsContact C-N 3.32Å; G100-K102 PolarHBondContact O-N 3.49Å; K102-T104 PolarHBondContact O-N 3.38Å |
| 103 | C | 61.1 | Low | 68.6 | Low | 50 Ų | 50 | 88.5 Ų | 88.5 | 34% | 0.338 | 55% | 0.545 | S | S | . | . | trans | -82.3 | 86.8 | 178.4 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | C94 | C94-C103 HydrophobicContact CB-CB 3.52Å; C94-C103 WeakPolarHBondContact CB-SG 3.35Å; C94-C103 WeakPolarHBondContact SG-CB 3.45Å; C94-C103 CovalentContact SG-SG 2.02Å; C94-C103 PolarHBondContact SG-SG 2.95Å | ||
| 104 | T | 58.6 | Low | 67.6 | Low | 120 Ų | 120 | 93 Ų | 93 | 74% | 0.736 | 57% | 0.573 | S | S | * | * | trans | -64.3 | 138.4 | 159.8 | 53.8 | 0 | 0 | 0 | 0 | 107.5 | K102 S106 | K102-T104 PolarHBondContact O-N 3.38Å; T104-S106 PolarHBondContact O-N 3.15Å | ||
| 105 | N | 54.4 | Low | 66.3 | Low | 111 Ų | 111 | 98.1 Ų | 98.1 | 59% | 0.594 | 60% | 0.604 | S | S | * | * | trans | -59.9 | 114.3 | 165.1 | -75.5 | -28.4 | 0 | 0 | 0 | 105.7 | A107 A108 | N105-A107 PolarHBondContact O-N 3.21Å; N105-A108 PolarHBondContact O-N 3.4Å; N105-A108 VanDerWaalsContact O-N 3.12Å | ||
| 106 | S | 50.8 | Low | 64.9 | Low | 81 Ų | 81 | 100.9 Ų | 100.9 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -60.6 | -0.1 | 178 | 37.5 | 0 | 0 | 0 | 0 | 113.5 | T104 A108 | T104-S106 PolarHBondContact O-N 3.15Å; S106-A108 VanDerWaalsContact C-N 3.27Å; S106-A108 PolarHBondContact O-N 3.34Å |
| 107 | A | 51.2 | Low | 63.5 | Low | 93 Ų | 93 | 103.7 Ų | 103.7 | 77% | 0.769 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -73.2 | -9.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N105 | N105-A107 PolarHBondContact O-N 3.21Š|
| 108 | A | 44.8 | Very low | 61.5 | Low | 91 Ų | 91 | 110.1 Ų | 110.1 | 75% | 0.752 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -102.9 | 12.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N105 S106 | N105-A108 PolarHBondContact O-N 3.4Å; N105-A108 VanDerWaalsContact O-N 3.12Å; S106-A108 VanDerWaalsContact C-N 3.27Å; S106-A108 PolarHBondContact O-N 3.34Å |
| 109 | A | 38.4 | Very low | 59.4 | Low | 78 Ų | 78 | 102.4 Ų | 102.4 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | trans | -114.4 | 16.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 110 | F | 41.6 | Very low | 57.1 | Low | 258 Ų | 258 | 105.9 Ų | 105.9 | 100% | 1.132 | 68% | 0.683 | S | S | * | * | trans | -126.3 | 0 | 168.4 | -62.8 | -76 | 0 | 0 | 0 | 109.2 |
Retrieved 110 of 110 residues in 296.8 ms
(Link to these results)