| 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 | 38.1 | Very low | 47.9 | Very low | 232 Ų | 232 | 161.2 Ų | 161.2 | 100% | 1.143 | 85% | 0.846 | S | S | * | * | 0 | 99.7 | 0 | -81.9 | 100.2 | 78.9 | 0 | 0 | 108.2 | |||||
| 2 | Q | 41.4 | Very low | 48.7 | Very low | 165 Ų | 165 | 161.1 Ų | 161.1 | 77% | 0.771 | 85% | 0.846 | S | S | * | * | 82.7 | 95 | 96.3 | -70.8 | -152.2 | -15.5 | 0 | 0 | 113.5 | F4 | Q2-F4 HydrophobicContact CB-CD2 4.47Š| |||
| 3 | L | 42.1 | Very low | 49.3 | Very low | 171 Ų | 171 | 154.5 Ų | 154.5 | 90% | 0.895 | 84% | 0.84 | S | S | * | * | trans | -60.8 | 132.7 | 156.3 | -105.8 | 71.4 | 0 | 0 | 0 | 109.4 | ||||
| 4 | F | 44.9 | Very low | 50.3 | Low | 173 Ų | 173 | 154 Ų | 154 | 76% | 0.759 | 83% | 0.834 | S | S | * | * | trans | -139.3 | 86 | 161.1 | -92.7 | -80.2 | 0 | 0 | 0 | 110.1 | Q2 | Q2-F4 HydrophobicContact CB-CD2 4.47Š| ||
| 5 | G | 43.8 | Very low | 50.9 | Low | 77 Ų | 77 | 151.2 Ų | 151.2 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | -86.3 | 113.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | M7 | G5-M7 PolarHBondContact O-N 3.25Š| ||
| 6 | K | 50.5 | Low | 51.4 | Low | 210 Ų | 210 | 152.2 Ų | 152.2 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -71.9 | 104.5 | 177.5 | -75.2 | 178.6 | 171.1 | -180 | 0 | 110.1 | S8 | K6-S8 PolarHBondContact O-N 2.77Š| ||
| 7 | M | 48 | Very low | 52.1 | Low | 176 Ų | 176 | 149 Ų | 149 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | trans | -86.2 | 101.9 | 167.8 | -162.8 | 83.2 | 75 | 0 | 0 | 108.3 | G5 L9 | G5-M7 PolarHBondContact O-N 3.25Å; M7-L9 PolarHBondContact O-N 3.35Å | ||
| 8 | S | 56.8 | Low | 51.8 | Low | 107 Ų | 107 | 149.5 Ų | 149.5 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -79.3 | 107.8 | 174.2 | -167.9 | 0 | 0 | 0 | 0 | 109 | K6 L10 | K6-S8 PolarHBondContact O-N 2.77Å; S8-L10 PolarHBondContact O-N 3.21Å | ||
| 9 | L | 50.2 | Low | 51.7 | Low | 145 Ų | 145 | 147.8 Ų | 147.8 | 76% | 0.759 | 82% | 0.821 | S | S | * | * | trans | -85.2 | 103.1 | 179.2 | -161.2 | 71.8 | 0 | 0 | 0 | 108.8 | M7 L11 | M7-L9 PolarHBondContact O-N 3.35Å; L9-L11 PolarHBondContact O-N 3.25Å | ||
| 10 | L | 53.5 | Low | 51.6 | Low | 156 Ų | 156 | 147.2 Ų | 147.2 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -73.2 | 108.7 | 169.9 | -91.1 | 98.9 | 0 | 0 | 0 | 109.5 | S8 L12 | S8-L10 PolarHBondContact O-N 3.21Å; L10-L12 PolarHBondContact O-N 3.36Å | ||
| 11 | L | 57.5 | Low | 51.8 | Low | 161 Ų | 161 | 145.4 Ų | 145.4 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | -77.9 | 105 | 168.8 | -80.4 | 154.4 | 0 | 0 | 0 | 109.2 | L9 G13 | L9-L11 PolarHBondContact O-N 3.25Å; L11-G13 PolarHBondContact O-N 3.34Å | ||
| 12 | L | 57.4 | Low | 53 | Low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 100.3 | 170 | -142.6 | 80.1 | 0 | 0 | 0 | 108.1 | L10 I14 | L10-L12 PolarHBondContact O-N 3.36Å; L12-I14 PolarHBondContact O-N 3.27Å; L12-I14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | G | 56.3 | Low | 54.2 | Low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -68.8 | 105.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L11 S15 | L11-G13 PolarHBondContact O-N 3.34Å; G13-S15 PolarHBondContact O-N 2.8Å; G13-S15 VanDerWaalsContact O-N 3.17Å | ||
| 14 | I | 63.3 | Low | 56.3 | Low | 148 Ų | 148 | 131.9 Ų | 131.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | -74.6 | 101.8 | 170.4 | -62.4 | 171.4 | 0 | 0 | 0 | 107.3 | L12 M16 | L12-I14 PolarHBondContact O-N 3.27Å; L12-I14 VanDerWaalsContact O-N 3.14Å; I14-M16 PolarHBondContact O-N 2.77Å | ||
| 15 | S | 59.1 | Low | 58.6 | Low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 75% | 0.745 | S | S | * | * | trans | -70.6 | 91.1 | 169.7 | 168.3 | 0 | 0 | 0 | 0 | 109.2 | G13 S17 | G13-S15 PolarHBondContact O-N 2.8Å; G13-S15 VanDerWaalsContact O-N 3.17Å; S15-S17 PolarHBondContact O-N 2.81Å | ||
| 16 | M | 59.6 | Low | 61.1 | Low | 167 Ų | 167 | 126.3 Ų | 126.3 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | trans | -66.5 | 100 | 164.2 | -89.6 | 177.1 | 172 | 0 | 0 | 108.5 | I14 L18 | I14-M16 PolarHBondContact O-N 2.77Å; M16-L18 PolarHBondContact O-N 3.14Å; M16-L18 VanDerWaalsContact O-N 3.14Å | ||
| 17 | S | 63.1 | Low | 63.4 | Low | 98 Ų | 98 | 120.4 Ų | 120.4 | 69% | 0.685 | 70% | 0.701 | S | S | * | * | trans | -66.2 | 108.6 | 167 | -169.6 | 0 | 0 | 0 | 0 | 108 | S15 C19 | S15-S17 PolarHBondContact O-N 2.81Å; S17-C19 PolarHBondContact O-N 2.88Å | ||
| 18 | L | 47.7 | Very low | 65.8 | Low | 158 Ų | 158 | 113.7 Ų | 113.7 | 83% | 0.827 | 67% | 0.67 | S | S | * | * | trans | -69.3 | 95.8 | 168.9 | -72.5 | 164.7 | 0 | 0 | 0 | 107.5 | M16 V20 | M16-L18 PolarHBondContact O-N 3.14Å; M16-L18 VanDerWaalsContact O-N 3.14Å; L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 2.56Å | ||
| 19 | C | 49.7 | Very low | 67.7 | Low | 118 Ų | 118 | 114.9 Ų | 114.9 | 80% | 0.797 | 66% | 0.664 | S | S | * | * | trans | -65.3 | 99.9 | 163.2 | -74.5 | 0 | 0 | 0 | 0 | 107.6 | S17 S21 | S17-C19 PolarHBondContact O-N 2.88Å; C19-S21 VanDerWaalsContact C-N 3.3Å; C19-S21 PolarHBondContact O-N 3.39Å | ||
| 20 | V | 49.7 | Very low | 70 | Confident | 135 Ų | 135 | 108.8 Ų | 108.8 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | trans | -68.3 | 96.4 | 162.7 | 172.7 | 0 | 0 | 0 | 0 | 106 | L18 A22 | L18-V20 VanDerWaalsContact C-N 3.35Å; L18-V20 PolarHBondContact O-N 2.56Å; V20-A22 PolarHBondContact O-N 3.49Å; V20-A22 VanDerWaalsContact O-N 3.15Å | ||
| 21 | S | 55.6 | Low | 72.2 | Confident | 109 Ų | 109 | 105.3 Ų | 105.3 | 76% | 0.762 | 61% | 0.613 | S | S | * | * | trans | -68.5 | 108.4 | 168.8 | -169 | 0 | 0 | 0 | 0 | 107.2 | C19 E23 | C19-S21 VanDerWaalsContact C-N 3.3Å; C19-S21 PolarHBondContact O-N 3.39Å; S21-E23 PolarHBondContact O-N 3.23Å | ||
| 22 | A | 62.8 | Low | 74.1 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 62% | 0.62 | 57% | 0.573 | S | S | * | * | trans | -59.2 | 130.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | V20 Q24 | V20-A22 PolarHBondContact O-N 3.49Å; V20-A22 VanDerWaalsContact O-N 3.15Å; A22-Q24 PolarHBondContact O-N 3.36Å | ||
| 23 | E | 67.5 | Low | 76.1 | Confident | 129 Ų | 129 | 94.9 Ų | 94.9 | 60% | 0.603 | 55% | 0.554 | S | S | * | * | trans | -62.3 | 98.2 | 178 | -172.9 | -176.8 | -165.6 | 0 | 0 | 109.3 | S21 T25 K26 | S21-E23 PolarHBondContact O-N 3.23Å; E23-T25 VanDerWaalsContact C-N 3.28Å; E23-T25 WeakPolarHBondContact CG-O 3.19Å; E23-T25 PolarHBondContact O-N 2.76Å; E23-K26 HydrophobicContact CG-CG 4.26Å | ||
| 24 | Q | 84.8 | Confident | 78 | Confident | 81 Ų | 81 | 92.7 Ų | 92.7 | 38% | 0.379 | 53% | 0.527 | S | S | . | . | trans | -73.8 | -18.1 | -175.2 | -77.5 | -174.3 | -5 | 0 | 0 | 113 | A22 G69 L70 | A22-Q24 PolarHBondContact O-N 3.36Å; Q24-G69 CarbonylContact O-C 3.58Å; Q24-G69 WeakPolarHBondContact O-CA 3.38Å; Q24-L70 PolarHBondContact O-N 2.97Å | ||
| 25 | T | 94.2 | Very high | 79.6 | Confident | 72 Ų | 72 | 88 Ų | 88 | 44% | 0.442 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 135.6 | -179.5 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | E23 V27 V68 | E23-T25 VanDerWaalsContact C-N 3.28Å; E23-T25 WeakPolarHBondContact CG-O 3.19Å; E23-T25 PolarHBondContact O-N 2.76Å; T25-V27 HydrophobicContact CG2-CG2 4.5Å; T25-V68 CarbonylContact C-O 3.56Å; T25-V68 WeakPolarHBondContact CA-O 3.12Å |
| 26 | K | 96.3 | Very high | 81.3 | Confident | 61 Ų | 61 | 84.2 Ų | 84.2 | 27% | 0.265 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.7 | 174.2 | -67.6 | 180 | -178.6 | 175.3 | 0 | 109.9 | E23 K44 S67 V68 | E23-K26 HydrophobicContact CG-CG 4.26Å; K26-K44 PolarHBondContact NZ-O 2.78Å; K26-S67 CarbonylContact O-C 3.58Å; K26-S67 VanDerWaalsContact O-CA 3.22Å; K26-S67 WeakPolarHBondContact O-CA 3.23Å; K26-V68 HydrophobicContact CB-CG2 4.09Å; K26-V68 PolarHBondContact N-O 2.82Å; K26-V68 PolarHBondContact O-N 2.8Å |
| 27 | V | 97.9 | Very high | 83.1 | Confident | 85 Ų | 85 | 80.5 Ų | 80.5 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 126.4 | 172.9 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | T25 L65 M66 W82 | T25-V27 HydrophobicContact CG2-CG2 4.5Å; V27-L65 HydrophobicContact CG1-CD2 4.07Å; V27-M66 CarbonylContact C-O 3.57Å; V27-M66 WeakPolarHBondContact CA-O 3.34Å; V27-W82 HydrophobicContact CG1-CH2 4.23Å |
| 28 | V | 98.1 | Very high | 84.8 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 22% | 0.218 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 151.6 | -179.4 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | F41 E43 L65 M66 | V28-F41 HydrophobicContact CG2-CE1 3.53Å; V28-F41 HydrophobicContact CG2-CZ 3.62Å; V28-E43 HydrophobicContact CB-CG 4.46Å; V28-E43 HydrophobicContact CG1-CG 4.25Å; V28-E43 HydrophobicContact CG2-CG 3.42Å; V28-E43 VanDerWaalsContact CG2-CG 3.42Å; V28-L65 CarbonylContact O-C 3.51Å; V28-L65 VanDerWaalsContact O-CA 3.3Å; V28-L65 WeakPolarHBondContact O-CA 3.4Å; V28-L65 WeakPolarHBondContact O-CD2 3.48Å; V28-M66 HydrophobicContact CG2-CB 4.04Å; V28-M66 PolarHBondContact N-O 3.09Å; V28-M66 PolarHBondContact O-N 2.99Å |
| 29 | E | 98.4 | Very high | 87.2 | Confident | 131 Ų | 131 | 74.6 Ų | 74.6 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 138.8 | 174.9 | -73.3 | 178.1 | -177.2 | 0 | 0 | 111.2 | Q63 W64 L65 | E29-Q63 PolarHBondContact OE1-NE2 3.04Å; E29-Q63 PolarHBondContact OE2-NE2 2.75Å; E29-W64 WeakPolarHBondContact CA-O 3.43Å; E29-L65 HydrophobicContact CB-CD2 4.25Å; E29-L65 HydrophobicContact CG-CD2 3.27Å |
| 30 | F | 98.6 | Very high | 89.5 | Confident | 17 Ų | 17 | 73.1 Ų | 73.1 | 8% | 0.075 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161.7 | 169.8 | 75 | -76.1 | 0 | 0 | 0 | 111 | V32 F41 F52 Y54 W64 M66 V81 | F30-V32 HydrophobicContact CD2-CG2 4.4Å; F30-V32 HydrophobicContact CE2-CG2 3.61Å; F30-V32 HydrophobicContact CZ-CG2 4.05Å; F30-F41 HydrophobicContact CB-CD1 4.28Å; F30-F41 HydrophobicContact CB-CD2 3.69Å; F30-F41 HydrophobicContact CB-CE1 4.14Å; F30-F41 HydrophobicContact CB-CE2 3.53Å; F30-F41 HydrophobicContact CB-CG 4.08Å; F30-F41 HydrophobicContact CB-CZ 3.78Å; F30-F41 AromaticContact CD1-CD1 3.82Å; F30-F41 HydrophobicContact CD1-CD1 3.82Å; F30-F41 AromaticContact CD1-CE1 3.88Å; F30-F41 HydrophobicContact CD1-CE1 3.88Å; F30-F41 HydrophobicContact CD1-CG 4.24Å; F30-F41 HydrophobicContact CD1-CZ 4.36Å; F30-F41 HydrophobicContact CD2-CB 4.07Å; F30-F41 HydrophobicContact CD2-CD1 4.29Å; F30-F41 HydrophobicContact CD2-CD2 4.19Å; F30-F41 AromaticContact CD2-CG 3.91Å; F30-F41 HydrophobicContact CD2-CG 3.91Å; F30-F41 HydrophobicContact CE1-CD1 4.2Å; F30-F41 HydrophobicContact CE2-CB 4.23Å; F30-F41 HydrophobicContact CE2-CG 4.41Å; F30-F41 HydrophobicContact CG-CB 4.47Å; F30-F41 AromaticContact CG-CD1 3.87Å; F30-F41 HydrophobicContact CG-CD1 3.87Å; F30-F41 AromaticContact CG-CD2 3.96Å; F30-F41 HydrophobicContact CG-CD2 3.96Å; F30-F41 HydrophobicContact CG-CE1 4.08Å; F30-F41 HydrophobicContact CG-CE2 4.17Å; F30-F41 AromaticContact CG-CG 3.82Å; F30-F41 HydrophobicContact CG-CG 3.82Å; F30-F41 HydrophobicContact CG-CZ 4.24Å; F30-F52 HydrophobicContact CE2-CD1 4.35Å; F30-F52 HydrophobicContact CZ-CD1 4.04Å; F30-F52 HydrophobicContact CZ-CE1 4.36Å; F30-Y54 HydrophobicContact CE2-CE1 4.16Å; F30-W64 HydrophobicContact CD1-CB 4.16Å; F30-W64 HydrophobicContact CE1-CB 3.65Å; F30-W64 HydrophobicContact CE2-CB 4.3Å; F30-W64 HydrophobicContact CZ-CB 3.73Å; F30-W64 HydrophobicContact CZ-CG 4.49Å; F30-W64 PolarHBondContact N-O 2.95Å; F30-W64 PolarHBondContact O-N 2.61Å; F30-W64 VanDerWaalsContact O-O 3.13Å; F30-M66 HydrophobicContact CD1-CB 4.5Å; F30-M66 HydrophobicContact CE1-CB 4.22Å; F30-V81 HydrophobicContact CE1-CG1 4.05Å; F30-V81 HydrophobicContact CZ-CG1 3.83Å |
| 31 | N | 98.2 | Very high | 91.8 | Very high | 83 Ų | 83 | 69 Ų | 69 | 44% | 0.444 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 123.2 | 175.7 | -76.9 | -46.4 | 0 | 0 | 0 | 110.6 | K33 Y54 N61 E62 Q63 | N31-K33 PolarHBondContact O-N 3.41Å; N31-Y54 PolarHBondContact O-OH 3.12Å; N31-N61 HydrophobicContact CB-CB 4.45Å; N31-E62 CarbonylContact C-O 3.56Å; N31-E62 WeakPolarHBondContact CA-O 3.23Å; N31-Q63 VanDerWaalsContact OD1-CA 3.32Å; N31-Q63 WeakPolarHBondContact OD1-CA 3.42Å; N31-Q63 PolarHBondContact OD1-N 2.84Å |
| 32 | V | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119.3 | 164.1 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | F30 Y54 N61 E62 W64 L90 F92 | F30-V32 HydrophobicContact CD2-CG2 4.4Å; F30-V32 HydrophobicContact CE2-CG2 3.61Å; F30-V32 HydrophobicContact CZ-CG2 4.05Å; V32-Y54 VanDerWaalsContact CA-OH 3.32Å; V32-Y54 WeakPolarHBondContact CA-OH 3.39Å; V32-Y54 HydrophobicContact CB-CE2 4.25Å; V32-Y54 HydrophobicContact CG1-CD2 3.81Å; V32-Y54 HydrophobicContact CG1-CE2 3.41Å; V32-Y54 VanDerWaalsContact CG1-CE2 3.41Å; V32-Y54 HydrophobicContact CG2-CE1 4.42Å; V32-N61 WeakPolarHBondContact O-CA 3.08Å; V32-E62 PolarHBondContact N-O 2.86Å; V32-E62 PolarHBondContact O-N 3.35Å; V32-W64 HydrophobicContact CB-CG 4.34Å; V32-W64 HydrophobicContact CG2-CB 3.98Å; V32-W64 HydrophobicContact CG2-CD2 3.67Å; V32-W64 HydrophobicContact CG2-CE3 4.44Å; V32-W64 HydrophobicContact CG2-CG 3.42Å; V32-W64 VanDerWaalsContact CG2-CG 3.42Å; V32-L90 HydrophobicContact CB-CD1 3.95Å; V32-L90 HydrophobicContact CG1-CD1 3.35Å; V32-F92 HydrophobicContact CG1-CE1 4.01Å; V32-F92 HydrophobicContact CG1-CZ 3.94Å |
| 33 | K | 98.1 | Very high | 95.6 | Very high | 102 Ų | 102 | 64.8 Ų | 64.8 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 124.9 | -176.1 | -61.5 | 177.4 | -175.5 | 177.1 | 0 | 110.1 | N31 Y54 S56 | N31-K33 PolarHBondContact O-N 3.41Å; K33-Y54 PolarHBondContact N-OH 3.25Å; K33-Y54 VanDerWaalsContact N-OH 3.09Å; K33-S56 PolarHBondContact O-OG 2.98Å |
| 34 | P | 97.5 | Very high | 97 | Very high | 29 Ų | 29 | 65 Ų | 65 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | trans | -75.2 | 174.4 | 171 | 32.6 | -34 | 0 | 0 | 0 | 111.5 | S56 N61 L90 | P34-S56 CarbonylContact C-O 3.55Å; P34-S56 WeakPolarHBondContact CA-O 3.26Å; P34-N61 WeakPolarHBondContact CD-OD1 3.44Å; P34-L90 HydrophobicContact CB-CD2 3.97Å; P34-L90 HydrophobicContact CG-CD2 4.26Å | ||
| 35 | G | 96.2 | Very high | 97.4 | Very high | 49 Ų | 49 | 61.4 Ų | 61.4 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 127.7 | 7.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | V37 S56 | G35-V37 PolarHBondContact O-N 2.98Å; G35-S56 PolarHBondContact N-O 2.86Å |
| 36 | G | 94.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 62.7 Ų | 62.7 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 72.4 | 3.4 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | S56 | G36-S56 PolarHBondContact N-O 3Š|
| 37 | V | 97.3 | Very high | 97.2 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 54% | 0.539 | 37% | 0.374 | S | S | . | . | trans | -86.6 | 140.7 | 177.4 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | G35 H39 | G35-V37 PolarHBondContact O-N 2.98Å; V37-H39 PolarHBondContact O-CD2 3.42Å; V37-H39 PolarHBondContact O-N 3.21Å | ||
| 38 | V | 98.5 | Very high | 97.2 | Very high | 79 Ų | 79 | 63.2 Ų | 63.2 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | trans | -75 | 124.1 | 176.4 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | T53 Y54 A55 Q94 | V38-T53 HydrophobicContact CG1-CG2 3.51Å; V38-Y54 CarbonylContact C-O 3.53Å; V38-Y54 WeakPolarHBondContact CA-O 3.21Å; V38-A55 HydrophobicContact CG2-CB 4.27Å; V38-Q94 VanDerWaalsContact CG2-NE2 3.27Å | ||
| 39 | H | 98.6 | Very high | 97.2 | Very high | 53 Ų | 53 | 64.5 Ų | 64.5 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 154.3 | 174.4 | -69.6 | -64.1 | 0 | 0 | 0 | 110.5 | V37 T53 Y54 | V37-H39 PolarHBondContact O-CD2 3.42Å; V37-H39 PolarHBondContact O-N 3.21Å; H39-T53 CarbonylContact O-C 3.56Å; H39-T53 VanDerWaalsContact O-CA 3.24Å; H39-T53 WeakPolarHBondContact O-CA 3.32Å; H39-T53 WeakPolarHBondContact O-CG2 3.27Å; H39-Y54 HydrophobicContact CB-CD1 4.37Å; H39-Y54 HydrophobicContact CB-CE1 3.74Å; H39-Y54 HydrophobicContact CB-CE2 3.87Å; H39-Y54 VanDerWaalsContact CB-CZ 3.44Å; H39-Y54 WeakPolarHBondContact CB-OH 3.44Å; H39-Y54 PolarHBondContact N-O 2.82Å; H39-Y54 PolarHBondContact O-N 2.9Å |
| 40 | T | 98.6 | Very high | 97.2 | Very high | 87 Ų | 87 | 58.3 Ų | 58.3 | 53% | 0.534 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 136.8 | 174.7 | -65.2 | 0 | 0 | 0 | 0 | 109.3 | I51 F52 T53 | T40-I51 HydrophobicContact CG2-CG2 3.43Å; T40-I51 VanDerWaalsContact CG2-CG2 3.43Å; T40-F52 CarbonylContact C-O 3.49Å; T40-F52 WeakPolarHBondContact CA-O 3.27Å; T40-T53 PolarHBondContact OG1-OG1 2.99Å |
| 41 | F | 98.7 | Very high | 97.2 | Very high | 50 Ų | 50 | 58.8 Ų | 58.8 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 139.9 | 173.5 | -172.9 | -95.7 | 0 | 0 | 0 | 108.3 | V28 F30 E43 F52 M66 | V28-F41 HydrophobicContact CG2-CE1 3.53Å; V28-F41 HydrophobicContact CG2-CZ 3.62Å; F30-F41 HydrophobicContact CB-CD1 4.28Å; F30-F41 HydrophobicContact CB-CD2 3.69Å; F30-F41 HydrophobicContact CB-CE1 4.14Å; F30-F41 HydrophobicContact CB-CE2 3.53Å; F30-F41 HydrophobicContact CB-CG 4.08Å; F30-F41 HydrophobicContact CB-CZ 3.78Å; F30-F41 AromaticContact CD1-CD1 3.82Å; F30-F41 HydrophobicContact CD1-CD1 3.82Å; F30-F41 AromaticContact CD1-CE1 3.88Å; F30-F41 HydrophobicContact CD1-CE1 3.88Å; F30-F41 HydrophobicContact CD1-CG 4.24Å; F30-F41 HydrophobicContact CD1-CZ 4.36Å; F30-F41 HydrophobicContact CD2-CB 4.07Å; F30-F41 HydrophobicContact CD2-CD1 4.29Å; F30-F41 HydrophobicContact CD2-CD2 4.19Å; F30-F41 AromaticContact CD2-CG 3.91Å; F30-F41 HydrophobicContact CD2-CG 3.91Å; F30-F41 HydrophobicContact CE1-CD1 4.2Å; F30-F41 HydrophobicContact CE2-CB 4.23Å; F30-F41 HydrophobicContact CE2-CG 4.41Å; F30-F41 HydrophobicContact CG-CB 4.47Å; F30-F41 AromaticContact CG-CD1 3.87Å; F30-F41 HydrophobicContact CG-CD1 3.87Å; F30-F41 AromaticContact CG-CD2 3.96Å; F30-F41 HydrophobicContact CG-CD2 3.96Å; F30-F41 HydrophobicContact CG-CE1 4.08Å; F30-F41 HydrophobicContact CG-CE2 4.17Å; F30-F41 AromaticContact CG-CG 3.82Å; F30-F41 HydrophobicContact CG-CG 3.82Å; F30-F41 HydrophobicContact CG-CZ 4.24Å; F41-E43 HydrophobicContact CE1-CG 3.81Å; F41-E43 HydrophobicContact CZ-CG 4.29Å; F41-F52 PolarHBondContact N-O 3.22Å; F41-F52 PolarHBondContact O-N 2.55Å; F41-M66 HydrophobicContact CD1-CB 4.43Å; F41-M66 HydrophobicContact CD1-CE 3.76Å; F41-M66 HydrophobicContact CD1-SD 3.9Å; F41-M66 HydrophobicContact CE1-CB 4.13Å; F41-M66 HydrophobicContact CE1-CE 4.44Å; F41-M66 HydrophobicContact CE1-SD 4.02Å |
| 42 | S | 98.4 | Very high | 97.2 | Very high | 49 Ų | 49 | 54.9 Ų | 54.9 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.8 | -173.5 | 57 | 0 | 0 | 0 | 0 | 111.6 | C50 | S42-C50 CarbonylContact C-O 3.49Å; S42-C50 WeakPolarHBondContact CA-O 3.37Å |
| 43 | E | 98.4 | Very high | 97.2 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.7 | 173.3 | -75.3 | -59.8 | 155.8 | 0 | 0 | 112.3 | V28 F41 E49 C50 M66 V68 | V28-E43 HydrophobicContact CB-CG 4.46Å; V28-E43 HydrophobicContact CG1-CG 4.25Å; V28-E43 HydrophobicContact CG2-CG 3.42Å; V28-E43 VanDerWaalsContact CG2-CG 3.42Å; F41-E43 HydrophobicContact CE1-CG 3.81Å; F41-E43 HydrophobicContact CZ-CG 4.29Å; E43-E49 WeakPolarHBondContact O-CA 3.23Å; E43-C50 PolarHBondContact N-O 2.8Å; E43-C50 PolarHBondContact O-N 3.19Å; E43-M66 HydrophobicContact CB-CG 4.43Å; E43-M66 HydrophobicContact CB-SD 3.67Å; E43-M66 HydrophobicContact CG-CG 4.42Å; E43-M66 HydrophobicContact CG-SD 3.78Å; E43-V68 HydrophobicContact CB-CG1 3.93Å; E43-V68 HydrophobicContact CB-CG2 3.79Å |
| 44 | K | 96.6 | Very high | 97.3 | Very high | 132 Ų | 132 | 51.3 Ų | 51.3 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.2 | -175.3 | 69.2 | -180 | -176.9 | 180 | 0 | 113.6 | K26 Y48 E49 | K26-K44 PolarHBondContact NZ-O 2.78Å; K44-Y48 VanDerWaalsContact CA-O 3.26Å; K44-Y48 WeakPolarHBondContact CA-O 3.48Å; K44-Y48 WeakPolarHBondContact CB-O 3.21Å; K44-E49 HydrophobicContact CB-CB 4.29Å; K44-E49 HydrophobicContact CB-CG 4.33Å |
| 45 | V | 94.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 50 Ų | 50 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 126.6 | 168 | 71.5 | 0 | 0 | 0 | 0 | 108.3 | K47 Y48 V68 L70 F77 | V45-K47 PolarHBondContact O-N 3.12Å; V45-Y48 PolarHBondContact N-O 3.14Å; V45-Y48 PolarHBondContact O-N 2.85Å; V45-V68 HydrophobicContact CB-CG2 4.37Å; V45-L70 HydrophobicContact CG1-CD1 4.45Å; V45-L70 HydrophobicContact CG1-CG 4.09Å; V45-F77 HydrophobicContact CG1-CD2 3.91Å; V45-F77 HydrophobicContact CG1-CE2 3.52Å |
| 46 | S | 92.5 | Very high | 97.4 | Very high | 99 Ų | 99 | 47.7 Ų | 47.7 | 69% | 0.692 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | -123.9 | -172.4 | -174.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 47 | K | 93.3 | Very high | 97.6 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 63% | 0.63 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 0.3 | 177.3 | 65.7 | -176.3 | 178.2 | -176.5 | 0 | 114.6 | V45 | V45-K47 PolarHBondContact O-N 3.12Š|
| 48 | Y | 96.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 142.4 | -176.5 | -47.8 | -79.8 | 0 | 0 | 0 | 110.4 | K44 V45 L70 F77 K100 G101 T155 | K44-Y48 VanDerWaalsContact CA-O 3.26Å; K44-Y48 WeakPolarHBondContact CA-O 3.48Å; K44-Y48 WeakPolarHBondContact CB-O 3.21Å; V45-Y48 PolarHBondContact N-O 3.14Å; V45-Y48 PolarHBondContact O-N 2.85Å; Y48-L70 HydrophobicContact CD2-CD1 4.04Å; Y48-L70 HydrophobicContact CD2-CD2 3.52Å; Y48-L70 HydrophobicContact CD2-CG 4.21Å; Y48-L70 HydrophobicContact CE2-CD1 3.91Å; Y48-L70 HydrophobicContact CE2-CD2 3.46Å; Y48-L70 VanDerWaalsContact CE2-CD2 3.46Å; Y48-L70 HydrophobicContact CE2-CG 4.29Å; Y48-L70 HydrophobicContact CG-CD2 4.39Å; Y48-F77 HydrophobicContact CG-CB 4.34Å; Y48-F77 HydrophobicContact CG-CD2 4.29Å; Y48-F77 HydrophobicContact CG-CG 4.16Å; Y48-K100 WeakPolarHBondContact CA-O 3.46Å; Y48-G101 WeakPolarHBondContact CD1-O 3.48Å; Y48-G101 WeakPolarHBondContact CE1-O 3.17Å; Y48-T155 HydrophobicContact CD1-CG2 4.2Å; Y48-T155 HydrophobicContact CE1-CG2 3.51Å; Y48-T155 HydrophobicContact CE2-CG2 3.99Å; Y48-T155 VanDerWaalsContact OH-CB 3.23Å; Y48-T155 WeakPolarHBondContact OH-CB 3.32Å; Y48-T155 WeakPolarHBondContact OH-CG2 3.44Å |
| 49 | E | 98.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 48.4 Ų | 48.4 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 140.1 | -176.9 | -173.7 | 179.6 | -162.7 | 0 | 0 | 109.6 | E43 K44 I51 L99 K100 | E43-E49 WeakPolarHBondContact O-CA 3.23Å; K44-E49 HydrophobicContact CB-CB 4.29Å; K44-E49 HydrophobicContact CB-CG 4.33Å; E49-I51 HydrophobicContact CG-CG1 4.01Å; E49-L99 CarbonylContact O-C 3.58Å; E49-L99 WeakPolarHBondContact O-CA 3.36Å; E49-K100 HydrophobicContact CB-CB 3.99Å; E49-K100 HydrophobicContact CB-CG 4.2Å; E49-K100 PolarHBondContact N-O 2.82Å; E49-K100 PolarHBondContact O-N 2.95Å |
| 50 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.7 | 168.5 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | S42 E43 V68 F77 C79 L99 | S42-C50 CarbonylContact C-O 3.49Å; S42-C50 WeakPolarHBondContact CA-O 3.37Å; E43-C50 PolarHBondContact N-O 2.8Å; E43-C50 PolarHBondContact O-N 3.19Å; C50-V68 HydrophobicContact CB-CG1 3.65Å; C50-F77 HydrophobicContact CB-CE1 4.25Å; C50-F77 HydrophobicContact CB-CZ 4.16Å; C50-C79 HydrophobicContact CB-CB 3.52Å; C50-C79 WeakPolarHBondContact CB-SG 3.29Å; C50-C79 WeakPolarHBondContact SG-CB 3.29Å; C50-C79 CovalentContact SG-SG 2.02Å; C50-C79 PolarHBondContact SG-SG 2.81Å; C50-L99 HydrophobicContact CB-CD2 4.05Å |
| 51 | I | 98.9 | Very high | 97.1 | Very high | 28 Ų | 28 | 51 Ų | 51 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 122.3 | 179.3 | -54 | 173 | 0 | 0 | 0 | 107.7 | T40 E49 A97 E98 K100 | T40-I51 HydrophobicContact CG2-CG2 3.43Å; T40-I51 VanDerWaalsContact CG2-CG2 3.43Å; E49-I51 HydrophobicContact CG-CG1 4.01Å; I51-A97 CarbonylContact O-C 3.54Å; I51-A97 VanDerWaalsContact O-CA 3.27Å; I51-A97 WeakPolarHBondContact O-CA 3.46Å; I51-E98 HydrophobicContact CB-CB 4.33Å; I51-E98 PolarHBondContact N-O 3.15Å; I51-E98 PolarHBondContact O-N 2.95Å; I51-K100 HydrophobicContact CD1-CG 4.15Å |
| 52 | F | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 113 | 174.7 | -177.2 | -117.4 | 0 | 0 | 0 | 110.2 | F30 T40 F41 Y54 M66 V81 F95 K96 L146 L149 | F30-F52 HydrophobicContact CE2-CD1 4.35Å; F30-F52 HydrophobicContact CZ-CD1 4.04Å; F30-F52 HydrophobicContact CZ-CE1 4.36Å; T40-F52 CarbonylContact C-O 3.49Å; T40-F52 WeakPolarHBondContact CA-O 3.27Å; F41-F52 PolarHBondContact N-O 3.22Å; F41-F52 PolarHBondContact O-N 2.55Å; F52-Y54 AromaticContact CD1-CD1 3.69Å; F52-Y54 HydrophobicContact CD1-CD1 3.69Å; F52-Y54 HydrophobicContact CD1-CE1 4.35Å; F52-Y54 AromaticContact CE1-CD1 3.46Å; F52-Y54 HydrophobicContact CE1-CD1 3.46Å; F52-Y54 VanDerWaalsContact CE1-CD1 3.46Å; F52-Y54 HydrophobicContact CE1-CE1 4.28Å; F52-Y54 AromaticContact CE1-CG 3.97Å; F52-Y54 HydrophobicContact CE1-CG 3.97Å; F52-Y54 HydrophobicContact CZ-CD1 4.34Å; F52-Y54 HydrophobicContact CZ-CG 4.48Å; F52-M66 HydrophobicContact CB-CE 3.48Å; F52-M66 VanDerWaalsContact CB-CE 3.48Å; F52-V81 HydrophobicContact CB-CG2 4.16Å; F52-V81 HydrophobicContact CD1-CG1 3.88Å; F52-V81 HydrophobicContact CD2-CG1 4.5Å; F52-V81 HydrophobicContact CD2-CG2 4.45Å; F52-V81 HydrophobicContact CE1-CG1 3.98Å; F52-V81 HydrophobicContact CG-CG1 4.15Å; F52-V81 HydrophobicContact CG-CG2 4.2Å; F52-V81 HydrophobicContact CZ-CG1 4.35Å; F52-F95 HydrophobicContact CE2-CB 4.06Å; F52-F95 HydrophobicContact CZ-CB 4.36Å; F52-K96 CarbonylContact C-O 3.6Å; F52-K96 WeakPolarHBondContact CA-O 3.46Å; F52-L146 HydrophobicContact CE2-CD2 4.15Å; F52-L146 HydrophobicContact CZ-CD2 3.9Å; F52-L149 HydrophobicContact CD2-CD2 4.37Å; F52-L149 HydrophobicContact CE2-CD2 4.22Å |
| 53 | T | 98.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 12% | 0.123 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.7 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 109 | V38 H39 T40 F95 K96 | V38-T53 HydrophobicContact CG1-CG2 3.51Å; H39-T53 CarbonylContact O-C 3.56Å; H39-T53 VanDerWaalsContact O-CA 3.24Å; H39-T53 WeakPolarHBondContact O-CA 3.32Å; H39-T53 WeakPolarHBondContact O-CG2 3.27Å; T40-T53 PolarHBondContact OG1-OG1 2.99Å; T53-F95 CarbonylContact O-C 3.59Å; T53-F95 WeakPolarHBondContact O-CA 3.29Å; T53-K96 PolarHBondContact N-O 3.02Å; T53-K96 PolarHBondContact O-N 3.11Å |
| 54 | Y | 98.8 | Very high | 97.1 | Very high | 7 Ų | 7 | 48.4 Ų | 48.4 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 162.6 | -180 | 66.9 | -88.5 | 0 | 0 | 0 | 111.6 | F30 N31 V32 K33 V38 H39 F52 F92 Q94 | F30-Y54 HydrophobicContact CE2-CE1 4.16Å; N31-Y54 PolarHBondContact O-OH 3.12Å; V32-Y54 VanDerWaalsContact CA-OH 3.32Å; V32-Y54 WeakPolarHBondContact CA-OH 3.39Å; V32-Y54 HydrophobicContact CB-CE2 4.25Å; V32-Y54 HydrophobicContact CG1-CD2 3.81Å; V32-Y54 HydrophobicContact CG1-CE2 3.41Å; V32-Y54 VanDerWaalsContact CG1-CE2 3.41Å; V32-Y54 HydrophobicContact CG2-CE1 4.42Å; K33-Y54 PolarHBondContact N-OH 3.25Å; K33-Y54 VanDerWaalsContact N-OH 3.09Å; V38-Y54 CarbonylContact C-O 3.53Å; V38-Y54 WeakPolarHBondContact CA-O 3.21Å; H39-Y54 HydrophobicContact CB-CD1 4.37Å; H39-Y54 HydrophobicContact CB-CE1 3.74Å; H39-Y54 HydrophobicContact CB-CE2 3.87Å; H39-Y54 VanDerWaalsContact CB-CZ 3.44Å; H39-Y54 WeakPolarHBondContact CB-OH 3.44Å; H39-Y54 PolarHBondContact N-O 2.82Å; H39-Y54 PolarHBondContact O-N 2.9Å; F52-Y54 AromaticContact CD1-CD1 3.69Å; F52-Y54 HydrophobicContact CD1-CD1 3.69Å; F52-Y54 HydrophobicContact CD1-CE1 4.35Å; F52-Y54 AromaticContact CE1-CD1 3.46Å; F52-Y54 HydrophobicContact CE1-CD1 3.46Å; F52-Y54 VanDerWaalsContact CE1-CD1 3.46Å; F52-Y54 HydrophobicContact CE1-CE1 4.28Å; F52-Y54 AromaticContact CE1-CG 3.97Å; F52-Y54 HydrophobicContact CE1-CG 3.97Å; F52-Y54 HydrophobicContact CZ-CD1 4.34Å; F52-Y54 HydrophobicContact CZ-CG 4.48Å; Y54-F92 HydrophobicContact CD2-CE1 4.31Å; Y54-F92 HydrophobicContact CG-CE1 4.39Å; Y54-Q94 WeakPolarHBondContact CA-O 3.39Å |
| 55 | A | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 142.4 | 158 | 0 | 0 | 0 | 0 | 0 | 108.6 | V38 T93 Q94 | V38-A55 HydrophobicContact CG2-CB 4.27Å; A55-T93 PolarHBondContact O-N 2.83Å; A55-T93 PolarHBondContact O-OG1 3.48Å; A55-Q94 HydrophobicContact CB-CG 3.59Å; A55-Q94 PolarHBondContact N-O 2.94Å; A55-Q94 PolarHBondContact O-N 2.85Å |
| 56 | S | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 160.6 | -176.4 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | K33 P34 G35 G36 F91 | K33-S56 PolarHBondContact O-OG 2.98Å; P34-S56 CarbonylContact C-O 3.55Å; P34-S56 WeakPolarHBondContact CA-O 3.26Å; G35-S56 PolarHBondContact N-O 2.86Å; G36-S56 PolarHBondContact N-O 3Å; S56-F91 CarbonylContact C-O 3.51Å; S56-F91 WeakPolarHBondContact CA-O 3.41Å; S56-F91 WeakPolarHBondContact CB-O 3.47Å |
| 57 | Q | 98.3 | Very high | 97.6 | Very high | 92 Ų | 92 | 39.4 Ų | 39.4 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 151.3 | 171.2 | -60.5 | -66.4 | -8.2 | 0 | 0 | 109.1 | F91 T93 | Q57-F91 HydrophobicContact CB-CB 4.32Å; Q57-F91 PolarHBondContact N-O 3.08Å; Q57-F91 PolarHBondContact O-N 3.28Å; Q57-T93 HydrophobicContact CG-CG2 4.37Å |
| 58 | G | 96 | Very high | 97.9 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 45% | 0.454 | 20% | 0.2 | S | C | . | . | trans | 162.1 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 59 | G | 93.6 | Very high | 97.9 | Very high | 81 Ų | 81 | 32.1 Ų | 32.1 | 84% | 0.835 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -89.9 | -25.2 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 60 | T | 95.7 | Very high | 97.8 | Very high | 103 Ų | 103 | 30 Ų | 30 | 63% | 0.632 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -143.6 | 155.5 | -172.6 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 61 | N | 97.8 | Very high | 97.6 | Very high | 92 Ų | 92 | 31.6 Ų | 31.6 | 49% | 0.492 | 20% | 0.202 | S | C | . | . | trans | -63.3 | 151.6 | 168.1 | -62.8 | -20.9 | 0 | 0 | 0 | 110.9 | N31 V32 P34 | N31-N61 HydrophobicContact CB-CB 4.45Å; V32-N61 WeakPolarHBondContact O-CA 3.08Å; P34-N61 WeakPolarHBondContact CD-OD1 3.44Å | ||
| 62 | E | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.9 | 174 | -81 | -166.6 | 179.5 | 0 | 0 | 110.6 | N31 V32 W64 R83 S88 Y89 L90 | N31-E62 CarbonylContact C-O 3.56Å; N31-E62 WeakPolarHBondContact CA-O 3.23Å; V32-E62 PolarHBondContact N-O 2.86Å; V32-E62 PolarHBondContact O-N 3.35Å; E62-W64 VanDerWaalsContact O-CD1 3.25Å; E62-W64 PolarHBondContact OE2-NE1 2.02Å; E62-R83 VanDerWaalsContact C-NH1 3.33Å; E62-R83 IonicContact OE2-CZ 4Å; E62-R83 IonicContact OE2-NE 3.99Å; E62-S88 WeakPolarHBondContact OE2-CA 3.03Å; E62-S88 WeakPolarHBondContact OE2-CB 2.97Å; E62-S88 PolarHBondContact OE2-OG 3.15Å; E62-Y89 PolarHBondContact OE1-N 2.82Å; E62-L90 HydrophobicContact CB-CD1 3.97Å; E62-L90 HydrophobicContact CB-CG 4.48Å; E62-L90 HydrophobicContact CG-CD1 4.02Å; E62-L90 HydrophobicContact CG-CG 3.98Å |
| 63 | Q | 98.4 | Very high | 96.9 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 131.8 | 166.5 | -177.7 | -179.4 | -27.8 | 0 | 0 | 111.5 | E29 N31 R83 | E29-Q63 PolarHBondContact OE1-NE2 3.04Å; E29-Q63 PolarHBondContact OE2-NE2 2.75Å; N31-Q63 VanDerWaalsContact OD1-CA 3.32Å; N31-Q63 WeakPolarHBondContact OD1-CA 3.42Å; N31-Q63 PolarHBondContact OD1-N 2.84Å; Q63-R83 VanDerWaalsContact O-CD 3.26Å; Q63-R83 WeakPolarHBondContact O-CD 3.31Å; Q63-R83 PolarHBondContact O-NH1 2.97Å |
| 64 | W | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 161.7 | 179.6 | -78.9 | 60 | 0 | 0 | 0 | 109.6 | E29 F30 V32 E62 V81 W82 R83 F92 L146 | E29-W64 WeakPolarHBondContact CA-O 3.43Å; F30-W64 HydrophobicContact CD1-CB 4.16Å; F30-W64 HydrophobicContact CE1-CB 3.65Å; F30-W64 HydrophobicContact CE2-CB 4.3Å; F30-W64 HydrophobicContact CZ-CB 3.73Å; F30-W64 HydrophobicContact CZ-CG 4.49Å; F30-W64 PolarHBondContact N-O 2.95Å; F30-W64 PolarHBondContact O-N 2.61Å; F30-W64 VanDerWaalsContact O-O 3.13Å; V32-W64 HydrophobicContact CB-CG 4.34Å; V32-W64 HydrophobicContact CG2-CB 3.98Å; V32-W64 HydrophobicContact CG2-CD2 3.67Å; V32-W64 HydrophobicContact CG2-CE3 4.44Å; V32-W64 HydrophobicContact CG2-CG 3.42Å; V32-W64 VanDerWaalsContact CG2-CG 3.42Å; E62-W64 VanDerWaalsContact O-CD1 3.25Å; E62-W64 PolarHBondContact OE2-NE1 2.02Å; W64-V81 HydrophobicContact CE3-CG1 3.84Å; W64-V81 HydrophobicContact CZ3-CG1 4.18Å; W64-W82 WeakPolarHBondContact CA-O 3.23Å; W64-R83 HydrophobicContact CD2-CB 4.14Å; W64-R83 HydrophobicContact CH2-CB 4.48Å; W64-R83 HydrophobicContact CZ2-CB 4.06Å; W64-F92 HydrophobicContact CH2-CE2 4.17Å; W64-F92 AromaticContact CH2-CZ 3.78Å; W64-F92 HydrophobicContact CH2-CZ 3.78Å; W64-F92 AromaticContact CZ2-CE2 3.85Å; W64-F92 HydrophobicContact CZ2-CE2 3.85Å; W64-F92 AromaticContact CZ2-CZ 3.49Å; W64-F92 HydrophobicContact CZ2-CZ 3.49Å; W64-F92 VanDerWaalsContact CZ2-CZ 3.49Å; W64-L146 HydrophobicContact CH2-CD2 4.49Å; W64-L146 HydrophobicContact CH2-CG 4.21Å; W64-L146 VanDerWaalsContact CH2-O 3.24Å; W64-L146 WeakPolarHBondContact CH2-O 3.3Å; W64-L146 WeakPolarHBondContact CZ2-O 3.23Å |
| 65 | L | 98.5 | Very high | 96.3 | Very high | 26 Ų | 26 | 48.9 Ų | 48.9 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.7 | 174.7 | -69.6 | 174.3 | 0 | 0 | 0 | 110.2 | V27 V28 E29 V81 W82 P84 | V27-L65 HydrophobicContact CG1-CD2 4.07Å; V28-L65 CarbonylContact O-C 3.51Å; V28-L65 VanDerWaalsContact O-CA 3.3Å; V28-L65 WeakPolarHBondContact O-CA 3.4Å; V28-L65 WeakPolarHBondContact O-CD2 3.48Å; E29-L65 HydrophobicContact CB-CD2 4.25Å; E29-L65 HydrophobicContact CG-CD2 3.27Å; L65-V81 CarbonylContact O-C 3.59Å; L65-V81 WeakPolarHBondContact O-CA 3.33Å; L65-W82 HydrophobicContact CB-CD2 3.95Å; L65-W82 HydrophobicContact CB-CE3 4.16Å; L65-W82 HydrophobicContact CB-CH2 3.77Å; L65-W82 HydrophobicContact CB-CZ2 3.54Å; L65-W82 HydrophobicContact CB-CZ3 4.08Å; L65-W82 HydrophobicContact CD1-CH2 4.33Å; L65-W82 HydrophobicContact CD1-CZ2 3.45Å; L65-W82 VanDerWaalsContact CD1-CZ2 3.45Å; L65-W82 HydrophobicContact CG-CZ2 4.13Å; L65-W82 PolarHBondContact N-O 3.17Å; L65-W82 PolarHBondContact O-N 3.16Å; L65-P84 HydrophobicContact CB-CG 4.47Å; L65-P84 HydrophobicContact CD1-CB 4.41Å; L65-P84 HydrophobicContact CD1-CG 3.63Å; L65-P84 HydrophobicContact CG-CG 3.68Å |
| 66 | M | 98.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 131.8 | 163.9 | 179.3 | 179.3 | -75.9 | 0 | 0 | 108.6 | V27 V28 F30 F41 E43 F52 V68 S80 V81 | V27-M66 CarbonylContact C-O 3.57Å; V27-M66 WeakPolarHBondContact CA-O 3.34Å; V28-M66 HydrophobicContact CG2-CB 4.04Å; V28-M66 PolarHBondContact N-O 3.09Å; V28-M66 PolarHBondContact O-N 2.99Å; F30-M66 HydrophobicContact CD1-CB 4.5Å; F30-M66 HydrophobicContact CE1-CB 4.22Å; F41-M66 HydrophobicContact CD1-CB 4.43Å; F41-M66 HydrophobicContact CD1-CE 3.76Å; F41-M66 HydrophobicContact CD1-SD 3.9Å; F41-M66 HydrophobicContact CE1-CB 4.13Å; F41-M66 HydrophobicContact CE1-CE 4.44Å; F41-M66 HydrophobicContact CE1-SD 4.02Å; E43-M66 HydrophobicContact CB-CG 4.43Å; E43-M66 HydrophobicContact CB-SD 3.67Å; E43-M66 HydrophobicContact CG-CG 4.42Å; E43-M66 HydrophobicContact CG-SD 3.78Å; F52-M66 HydrophobicContact CB-CE 3.48Å; F52-M66 VanDerWaalsContact CB-CE 3.48Å; M66-V68 HydrophobicContact CG-CG1 4.35Å; M66-V68 HydrophobicContact SD-CG1 4.46Å; M66-S80 CarbonylContact C-O 3.54Å; M66-S80 VanDerWaalsContact CA-O 3.27Å; M66-S80 WeakPolarHBondContact CA-O 3.31Å; M66-V81 HydrophobicContact CB-CG2 4.33Å; M66-V81 HydrophobicContact CE-CG2 3.48Å; M66-V81 VanDerWaalsContact CE-CG2 3.48Å; M66-V81 HydrophobicContact CG-CG2 4.02Å |
| 67 | S | 98.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 51.7 Ų | 51.7 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131 | 171.1 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | K26 C79 S80 | K26-S67 CarbonylContact O-C 3.58Å; K26-S67 VanDerWaalsContact O-CA 3.22Å; K26-S67 WeakPolarHBondContact O-CA 3.23Å; S67-C79 CarbonylContact O-C 3.58Å; S67-C79 VanDerWaalsContact O-CA 3.31Å; S67-C79 WeakPolarHBondContact O-CA 3.35Å; S67-S80 PolarHBondContact N-O 2.75Å; S67-S80 PolarHBondContact O-N 3.45Å |
| 68 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 136.6 | 171.3 | -66.6 | 0 | 0 | 0 | 0 | 109.1 | T25 K26 E43 V45 C50 M66 F77 S78 C79 | T25-V68 CarbonylContact C-O 3.56Å; T25-V68 WeakPolarHBondContact CA-O 3.12Å; K26-V68 HydrophobicContact CB-CG2 4.09Å; K26-V68 PolarHBondContact N-O 2.82Å; K26-V68 PolarHBondContact O-N 2.8Å; E43-V68 HydrophobicContact CB-CG1 3.93Å; E43-V68 HydrophobicContact CB-CG2 3.79Å; V45-V68 HydrophobicContact CB-CG2 4.37Å; C50-V68 HydrophobicContact CB-CG1 3.65Å; M66-V68 HydrophobicContact CG-CG1 4.35Å; M66-V68 HydrophobicContact SD-CG1 4.46Å; V68-F77 HydrophobicContact CB-CE2 3.86Å; V68-F77 HydrophobicContact CB-CZ 3.99Å; V68-F77 HydrophobicContact CG1-CE2 4.35Å; V68-F77 HydrophobicContact CG1-CZ 3.97Å; V68-S78 CarbonylContact C-O 3.53Å; V68-S78 VanDerWaalsContact CA-O 3.29Å; V68-S78 WeakPolarHBondContact CA-O 3.27Å; V68-C79 HydrophobicContact CG1-CB 4.45Å |
| 69 | G | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 163.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q24 F77 S78 | Q24-G69 CarbonylContact O-C 3.58Å; Q24-G69 WeakPolarHBondContact O-CA 3.38Å; G69-F77 WeakPolarHBondContact O-CA 3.44Å; G69-F77 VanDerWaalsContact O-CD2 3.31Å; G69-F77 WeakPolarHBondContact O-CD2 3.19Å; G69-S78 PolarHBondContact N-O 2.78Å; G69-S78 PolarHBondContact O-N 2.92Å |
| 70 | L | 96.4 | Very high | 96.5 | Very high | 19 Ų | 19 | 44.6 Ų | 44.6 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148.1 | 173.6 | -68.3 | 167.7 | 0 | 0 | 0 | 110.6 | Q24 V45 Y48 L76 F77 T155 | Q24-L70 PolarHBondContact O-N 2.97Å; V45-L70 HydrophobicContact CG1-CD1 4.45Å; V45-L70 HydrophobicContact CG1-CG 4.09Å; Y48-L70 HydrophobicContact CD2-CD1 4.04Å; Y48-L70 HydrophobicContact CD2-CD2 3.52Å; Y48-L70 HydrophobicContact CD2-CG 4.21Å; Y48-L70 HydrophobicContact CE2-CD1 3.91Å; Y48-L70 HydrophobicContact CE2-CD2 3.46Å; Y48-L70 VanDerWaalsContact CE2-CD2 3.46Å; Y48-L70 HydrophobicContact CE2-CG 4.29Å; Y48-L70 HydrophobicContact CG-CD2 4.39Å; L70-L76 CarbonylContact C-O 3.51Å; L70-L76 WeakPolarHBondContact CA-O 3.24Å; L70-F77 HydrophobicContact CD2-CB 4.14Å; L70-F77 HydrophobicContact CD2-CD2 4.24Å; L70-T155 HydrophobicContact CD2-CG2 4.05Å |
| 71 | S | 94.6 | Very high | 96.6 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | trans | -65.1 | 161.5 | 164.8 | 53.8 | 0 | 0 | 0 | 0 | 110.7 | D73 D74 Q75 L76 | S71-D73 VanDerWaalsContact CB-OD1 3.29Å; S71-D73 WeakPolarHBondContact CB-OD1 3.34Å; S71-D73 PolarHBondContact O-N 2.82Å; S71-D73 VanDerWaalsContact O-N 3.12Å; S71-D73 PolarHBondContact OG-OD1 2.81Å; S71-D74 WeakPolarHBondContact O-CA 3.35Å; S71-D74 PolarHBondContact O-N 2.95Å; S71-Q75 PolarHBondContact OG-N 2.8Å; S71-L76 PolarHBondContact N-O 2.99Å; S71-L76 PolarHBondContact OG-N 3.33Å | ||
| 72 | E | 91.2 | Very high | 96.6 | Very high | 182 Ų | 182 | 38.1 Ų | 38.1 | 85% | 0.85 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.1 | -178 | -63.8 | -179.7 | 176.5 | 0 | 0 | 113.5 | ||
| 73 | D | 91.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 38.8 Ų | 38.8 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 6.7 | 177.3 | 65.8 | -5.4 | 0 | 0 | 0 | 113.8 | S71 Q75 | S71-D73 VanDerWaalsContact CB-OD1 3.29Å; S71-D73 WeakPolarHBondContact CB-OD1 3.34Å; S71-D73 PolarHBondContact O-N 2.82Å; S71-D73 VanDerWaalsContact O-N 3.12Å; S71-D73 PolarHBondContact OG-OD1 2.81Å; D73-Q75 HydrophobicContact CB-CG 4.13Å; D73-Q75 VanDerWaalsContact CG-CG 3.43Å; D73-Q75 PolarHBondContact O-N 2.94Å; D73-Q75 PolarHBondContact O-NE2 2.9Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.49Å; D73-Q75 PolarHBondContact OD1-N 3.03Å; D73-Q75 VanDerWaalsContact OD1-N 3.11Å; D73-Q75 VanDerWaalsContact OD2-CG 3.32Å; D73-Q75 WeakPolarHBondContact OD2-CG 3.36Å |
| 74 | D | 91.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 37.4 Ų | 37.4 | 38% | 0.38 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 55.4 | 12.8 | -175.6 | -69.2 | -26.5 | 0 | 0 | 0 | 115.2 | S71 T155 | S71-D74 WeakPolarHBondContact O-CA 3.35Å; S71-D74 PolarHBondContact O-N 2.95Å; D74-T155 WeakPolarHBondContact O-CB 3.37Å; D74-T155 WeakPolarHBondContact O-CG2 3.32Å; D74-T155 PolarHBondContact O-OG1 3.35Å |
| 75 | Q | 93.8 | Very high | 96 | Very high | 64 Ų | 64 | 43.3 Ų | 43.3 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | trans | -80.2 | -21.8 | -177.2 | -62.4 | -59.3 | -52.7 | 0 | 0 | 113.8 | S71 D73 T155 H157 | S71-Q75 PolarHBondContact OG-N 2.8Å; D73-Q75 HydrophobicContact CB-CG 4.13Å; D73-Q75 VanDerWaalsContact CG-CG 3.43Å; D73-Q75 PolarHBondContact O-N 2.94Å; D73-Q75 PolarHBondContact O-NE2 2.9Å; D73-Q75 WeakPolarHBondContact OD1-CB 3.49Å; D73-Q75 PolarHBondContact OD1-N 3.03Å; D73-Q75 VanDerWaalsContact OD1-N 3.11Å; D73-Q75 VanDerWaalsContact OD2-CG 3.32Å; D73-Q75 WeakPolarHBondContact OD2-CG 3.36Å; Q75-T155 VanDerWaalsContact C-OG1 3.24Å; Q75-T155 WeakPolarHBondContact CA-OG1 3.26Å; Q75-T155 PolarHBondContact O-N 2.69Å; Q75-T155 PolarHBondContact O-OG1 3.29Å; Q75-T155 VanDerWaalsContact O-OG1 3.14Å; Q75-H157 PolarHBondContact NE2-ND1 2.78Å | ||
| 76 | L | 96.3 | Very high | 95.6 | Very high | 61 Ų | 61 | 42.2 Ų | 42.2 | 32% | 0.319 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.9 | -178.2 | -61.1 | 176.4 | 0 | 0 | 0 | 110.4 | L70 S71 I152 | L70-L76 CarbonylContact C-O 3.51Å; L70-L76 WeakPolarHBondContact CA-O 3.24Å; S71-L76 PolarHBondContact N-O 2.99Å; S71-L76 PolarHBondContact OG-N 3.33Å; L76-I152 HydrophobicContact CB-CG2 4.31Å; L76-I152 HydrophobicContact CD2-CG2 4.14Å |
| 77 | F | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 120.5 | 166.8 | 176.8 | -124.7 | 0 | 0 | 0 | 109.1 | V45 Y48 C50 V68 G69 L70 L99 T102 I152 G153 T155 | V45-F77 HydrophobicContact CG1-CD2 3.91Å; V45-F77 HydrophobicContact CG1-CE2 3.52Å; Y48-F77 HydrophobicContact CG-CB 4.34Å; Y48-F77 HydrophobicContact CG-CD2 4.29Å; Y48-F77 HydrophobicContact CG-CG 4.16Å; C50-F77 HydrophobicContact CB-CE1 4.25Å; C50-F77 HydrophobicContact CB-CZ 4.16Å; V68-F77 HydrophobicContact CB-CE2 3.86Å; V68-F77 HydrophobicContact CB-CZ 3.99Å; V68-F77 HydrophobicContact CG1-CE2 4.35Å; V68-F77 HydrophobicContact CG1-CZ 3.97Å; G69-F77 WeakPolarHBondContact O-CA 3.44Å; G69-F77 VanDerWaalsContact O-CD2 3.31Å; G69-F77 WeakPolarHBondContact O-CD2 3.19Å; L70-F77 HydrophobicContact CD2-CB 4.14Å; L70-F77 HydrophobicContact CD2-CD2 4.24Å; F77-L99 HydrophobicContact CD1-CD1 4.25Å; F77-L99 HydrophobicContact CD1-CD2 4.3Å; F77-L99 HydrophobicContact CE1-CD2 3.93Å; F77-T102 HydrophobicContact CB-CG2 4.21Å; F77-T102 HydrophobicContact CD1-CG2 3.71Å; F77-T102 HydrophobicContact CG-CG2 4.41Å; F77-I152 CarbonylContact O-C 3.6Å; F77-I152 WeakPolarHBondContact O-CA 3.28Å; F77-G153 PolarHBondContact N-O 3.19Å; F77-G153 PolarHBondContact O-N 2.57Å; F77-T155 HydrophobicContact CB-CG2 4.05Å |
| 78 | S | 98 | Very high | 95.2 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 131.4 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V68 G69 | V68-S78 CarbonylContact C-O 3.53Å; V68-S78 VanDerWaalsContact CA-O 3.29Å; V68-S78 WeakPolarHBondContact CA-O 3.27Å; G69-S78 PolarHBondContact N-O 2.78Å; G69-S78 PolarHBondContact O-N 2.92Å |
| 79 | C | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.8 | 166.2 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | C50 S67 V68 L99 T150 V151 | C50-C79 HydrophobicContact CB-CB 3.52Å; C50-C79 WeakPolarHBondContact CB-SG 3.29Å; C50-C79 WeakPolarHBondContact SG-CB 3.29Å; C50-C79 CovalentContact SG-SG 2.02Å; C50-C79 PolarHBondContact SG-SG 2.81Å; S67-C79 CarbonylContact O-C 3.58Å; S67-C79 VanDerWaalsContact O-CA 3.31Å; S67-C79 WeakPolarHBondContact O-CA 3.35Å; V68-C79 HydrophobicContact CG1-CB 4.45Å; C79-L99 HydrophobicContact CB-CD2 3.79Å; C79-T150 CarbonylContact O-C 3.5Å; C79-T150 WeakPolarHBondContact O-CA 3.45Å; C79-V151 PolarHBondContact N-O 2.79Å; C79-V151 PolarHBondContact O-N 2.96Å |
| 80 | S | 98.3 | Very high | 95.1 | Very high | 21 Ų | 21 | 54.3 Ų | 54.3 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.7 | 170.7 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | M66 S67 W82 L149 T150 | M66-S80 CarbonylContact C-O 3.54Å; M66-S80 VanDerWaalsContact CA-O 3.27Å; M66-S80 WeakPolarHBondContact CA-O 3.31Å; S67-S80 PolarHBondContact N-O 2.75Å; S67-S80 PolarHBondContact O-N 3.45Å; S80-W82 WeakPolarHBondContact O-CZ3 3.03Å; S80-L149 CarbonylContact C-O 3.5Å; S80-L149 VanDerWaalsContact CA-O 3.29Å; S80-L149 WeakPolarHBondContact CA-O 3.07Å; S80-T150 PolarHBondContact OG-OG1 2.8Å; S80-T150 VanDerWaalsContact OG-OG1 3.13Å |
| 81 | V | 98.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 123.1 | 174.6 | -178.3 | 0 | 0 | 0 | 0 | 107.6 | F30 F52 W64 L65 M66 K148 L149 | F30-V81 HydrophobicContact CE1-CG1 4.05Å; F30-V81 HydrophobicContact CZ-CG1 3.83Å; F52-V81 HydrophobicContact CB-CG2 4.16Å; F52-V81 HydrophobicContact CD1-CG1 3.88Å; F52-V81 HydrophobicContact CD2-CG1 4.5Å; F52-V81 HydrophobicContact CD2-CG2 4.45Å; F52-V81 HydrophobicContact CE1-CG1 3.98Å; F52-V81 HydrophobicContact CG-CG1 4.15Å; F52-V81 HydrophobicContact CG-CG2 4.2Å; F52-V81 HydrophobicContact CZ-CG1 4.35Å; W64-V81 HydrophobicContact CE3-CG1 3.84Å; W64-V81 HydrophobicContact CZ3-CG1 4.18Å; L65-V81 CarbonylContact O-C 3.59Å; L65-V81 WeakPolarHBondContact O-CA 3.33Å; M66-V81 HydrophobicContact CB-CG2 4.33Å; M66-V81 HydrophobicContact CE-CG2 3.48Å; M66-V81 VanDerWaalsContact CE-CG2 3.48Å; M66-V81 HydrophobicContact CG-CG2 4.02Å; V81-K148 CarbonylContact O-C 3.53Å; V81-K148 VanDerWaalsContact O-CA 3.26Å; V81-K148 WeakPolarHBondContact O-CA 3.32Å; V81-L149 PolarHBondContact N-O 3.49Å; V81-L149 PolarHBondContact O-N 3.48Å |
| 82 | W | 98 | Very high | 95.4 | Very high | 59 Ų | 59 | 57.8 Ų | 57.8 | 22% | 0.223 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 158.5 | -175.4 | 72.9 | 101.2 | 0 | 0 | 0 | 114.4 | V27 W64 L65 S80 P84 S147 K148 | V27-W82 HydrophobicContact CG1-CH2 4.23Å; W64-W82 WeakPolarHBondContact CA-O 3.23Å; L65-W82 HydrophobicContact CB-CD2 3.95Å; L65-W82 HydrophobicContact CB-CE3 4.16Å; L65-W82 HydrophobicContact CB-CH2 3.77Å; L65-W82 HydrophobicContact CB-CZ2 3.54Å; L65-W82 HydrophobicContact CB-CZ3 4.08Å; L65-W82 HydrophobicContact CD1-CH2 4.33Å; L65-W82 HydrophobicContact CD1-CZ2 3.45Å; L65-W82 VanDerWaalsContact CD1-CZ2 3.45Å; L65-W82 HydrophobicContact CG-CZ2 4.13Å; L65-W82 PolarHBondContact N-O 3.17Å; L65-W82 PolarHBondContact O-N 3.16Å; S80-W82 WeakPolarHBondContact O-CZ3 3.03Å; W82-P84 WeakPolarHBondContact O-CD 3.37Å; W82-S147 CarbonylContact C-O 3.56Å; W82-S147 VanDerWaalsContact CA-O 3.24Å; W82-S147 WeakPolarHBondContact CA-O 3.45Å; W82-K148 HydrophobicContact CB-CB 3.83Å; W82-K148 HydrophobicContact CB-CD 4.47Å; W82-K148 HydrophobicContact CB-CG 3.95Å |
| 83 | R | 96.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 52 Ų | 52 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | trans | -86.6 | 115.8 | 169.9 | 177.2 | 58.9 | 177.3 | -165.6 | -8.1 | 109.1 | E62 Q63 W64 Q85 G86 S147 | E62-R83 VanDerWaalsContact C-NH1 3.33Å; E62-R83 IonicContact OE2-CZ 4Å; E62-R83 IonicContact OE2-NE 3.99Å; Q63-R83 VanDerWaalsContact O-CD 3.26Å; Q63-R83 WeakPolarHBondContact O-CD 3.31Å; Q63-R83 PolarHBondContact O-NH1 2.97Å; W64-R83 HydrophobicContact CD2-CB 4.14Å; W64-R83 HydrophobicContact CH2-CB 4.48Å; W64-R83 HydrophobicContact CZ2-CB 4.06Å; R83-Q85 HydrophobicContact CG-CB 4.36Å; R83-Q85 VanDerWaalsContact NH2-CD 3.28Å; R83-Q85 PolarHBondContact O-N 2.87Å; R83-G86 PolarHBondContact O-N 2.77Å; R83-S147 PolarHBondContact N-O 3.18Å | ||
| 84 | P | 94.1 | Very high | 96 | Very high | 55 Ų | 55 | 50.3 Ų | 50.3 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.1 | -179 | -25.8 | 35.5 | 0 | 0 | 0 | 113.9 | L65 W82 G86 | L65-P84 HydrophobicContact CB-CG 4.47Å; L65-P84 HydrophobicContact CD1-CB 4.41Å; L65-P84 HydrophobicContact CD1-CG 3.63Å; L65-P84 HydrophobicContact CG-CG 3.68Å; W82-P84 WeakPolarHBondContact O-CD 3.37Å; P84-G86 PolarHBondContact O-N 3.25Å |
| 85 | Q | 91.1 | Very high | 96.4 | Very high | 126 Ų | 126 | 47 Ų | 47 | 59% | 0.589 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.5 | 177.7 | -58.3 | -177.8 | 3 | 0 | 0 | 113.6 | R83 K87 | R83-Q85 HydrophobicContact CG-CB 4.36Å; R83-Q85 VanDerWaalsContact NH2-CD 3.28Å; R83-Q85 PolarHBondContact O-N 2.87Å; Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.14Å; Q85-K87 VanDerWaalsContact O-N 3.08Å |
| 86 | G | 89.9 | Confident | 96.6 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 89 | -48.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | R83 P84 T113 V115 S147 | R83-G86 PolarHBondContact O-N 2.77Å; P84-G86 PolarHBondContact O-N 3.25Å; G86-T113 VanDerWaalsContact CA-OG1 3.28Å; G86-T113 WeakPolarHBondContact CA-OG1 3.27Å; G86-T113 PolarHBondContact O-N 2.85Å; G86-V115 VanDerWaalsContact CA-CG2 3.4Å; G86-S147 WeakPolarHBondContact O-CB 3.16Å; G86-S147 PolarHBondContact O-OG 2.88Å |
| 87 | K | 93.1 | Very high | 96.7 | Very high | 78 Ų | 78 | 44.1 Ų | 44.1 | 34% | 0.339 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -115.6 | 129.4 | 177.5 | -174.6 | 167.2 | -176 | 157.9 | 0 | 110.4 | Q85 E112 S147 | Q85-K87 VanDerWaalsContact C-N 3.3Å; Q85-K87 PolarHBondContact O-N 3.14Å; Q85-K87 VanDerWaalsContact O-N 3.08Å; K87-E112 HydrophobicContact CD-CG 4.09Å; K87-E112 VanDerWaalsContact CE-OE1 3.32Å; K87-E112 WeakPolarHBondContact CE-OE1 3.4Å; K87-E112 HydrophobicContact CG-CG 4.17Å; K87-E112 IonicContact NZ-OE1 2.69Å; K87-E112 PolarHBondContact NZ-OE1 2.87Å; K87-S147 WeakPolarHBondContact CA-OG 3.45Å |
| 88 | S | 96.3 | Very high | 96.8 | Very high | 13 Ų | 13 | 45.7 Ų | 45.7 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -84.5 | 139.6 | 165.2 | -173 | 0 | 0 | 0 | 0 | 110.3 | E62 L90 L146 S147 | E62-S88 WeakPolarHBondContact OE2-CA 3.03Å; E62-S88 WeakPolarHBondContact OE2-CB 2.97Å; E62-S88 PolarHBondContact OE2-OG 3.15Å; S88-L90 PolarHBondContact OG-N 3.21Å; S88-L146 WeakPolarHBondContact CB-O 3.44Å; S88-S147 PolarHBondContact N-OG 3.03Å | ||
| 89 | Y | 95.6 | Very high | 96.8 | Very high | 181 Ų | 181 | 43.7 Ų | 43.7 | 71% | 0.71 | 21% | 0.205 | S | C | * | . | trans | -98.8 | 0.4 | 171.7 | -62.4 | -78.8 | 0 | 0 | 0 | 112.1 | E62 | E62-Y89 PolarHBondContact OE1-N 2.82Š| ||
| 90 | L | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -77.5 | 142.1 | 174.1 | -63.3 | -179.4 | 0 | 0 | 0 | 110.8 | V32 P34 E62 S88 F92 | V32-L90 HydrophobicContact CB-CD1 3.95Å; V32-L90 HydrophobicContact CG1-CD1 3.35Å; P34-L90 HydrophobicContact CB-CD2 3.97Å; P34-L90 HydrophobicContact CG-CD2 4.26Å; E62-L90 HydrophobicContact CB-CD1 3.97Å; E62-L90 HydrophobicContact CB-CG 4.48Å; E62-L90 HydrophobicContact CG-CD1 4.02Å; E62-L90 HydrophobicContact CG-CG 3.98Å; S88-L90 PolarHBondContact OG-N 3.21Å; L90-F92 HydrophobicContact CB-CD2 4.38Å; L90-F92 HydrophobicContact CB-CE2 3.96Å; L90-F92 HydrophobicContact CB-CZ 4.46Å |
| 91 | F | 98 | Very high | 96.7 | Very high | 122 Ų | 122 | 49.3 Ų | 49.3 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 103.6 | 172 | -176.8 | -84.4 | 0 | 0 | 0 | 108.6 | S56 Q57 T93 A144 | S56-F91 CarbonylContact C-O 3.51Å; S56-F91 WeakPolarHBondContact CA-O 3.41Å; S56-F91 WeakPolarHBondContact CB-O 3.47Å; Q57-F91 HydrophobicContact CB-CB 4.32Å; Q57-F91 PolarHBondContact N-O 3.08Å; Q57-F91 PolarHBondContact O-N 3.28Å; F91-T93 HydrophobicContact CD1-CG2 4.04Å; F91-T93 HydrophobicContact CE1-CG2 4Å; F91-T93 PolarHBondContact O-N 3.36Å; F91-A144 HydrophobicContact CD1-CB 3.83Å; F91-A144 HydrophobicContact CD2-CB 3.43Å; F91-A144 VanDerWaalsContact CD2-CB 3.43Å; F91-A144 HydrophobicContact CE1-CB 3.63Å; F91-A144 HydrophobicContact CE2-CB 3.23Å; F91-A144 HydrophobicContact CG-CB 3.73Å; F91-A144 HydrophobicContact CZ-CB 3.32Å |
| 92 | F | 98.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 118.3 | 179.7 | -73.4 | -95 | 0 | 0 | 0 | 110.6 | V32 Y54 W64 L90 F142 A144 L146 | V32-F92 HydrophobicContact CG1-CE1 4.01Å; V32-F92 HydrophobicContact CG1-CZ 3.94Å; Y54-F92 HydrophobicContact CD2-CE1 4.31Å; Y54-F92 HydrophobicContact CG-CE1 4.39Å; W64-F92 HydrophobicContact CH2-CE2 4.17Å; W64-F92 AromaticContact CH2-CZ 3.78Å; W64-F92 HydrophobicContact CH2-CZ 3.78Å; W64-F92 AromaticContact CZ2-CE2 3.85Å; W64-F92 HydrophobicContact CZ2-CE2 3.85Å; W64-F92 AromaticContact CZ2-CZ 3.49Å; W64-F92 HydrophobicContact CZ2-CZ 3.49Å; W64-F92 VanDerWaalsContact CZ2-CZ 3.49Å; L90-F92 HydrophobicContact CB-CD2 4.38Å; L90-F92 HydrophobicContact CB-CE2 3.96Å; L90-F92 HydrophobicContact CB-CZ 4.46Å; F92-F142 HydrophobicContact CB-CE1 3.65Å; F92-F142 HydrophobicContact CB-CZ 3.97Å; F92-F142 WeakPolarHBondContact O-CE1 3.29Å; F92-A144 PolarHBondContact N-O 3.44Å; F92-A144 VanDerWaalsContact O-CA 3.24Å; F92-A144 WeakPolarHBondContact O-CA 3.22Å; F92-A144 WeakPolarHBondContact O-CB 3.5Å; F92-L146 HydrophobicContact CD2-CB 3.89Å; F92-L146 HydrophobicContact CE2-CB 4.08Å; F92-L146 WeakPolarHBondContact CE2-O 3.34Å; F92-L146 HydrophobicContact CG-CB 4.2Å |
| 93 | T | 97.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 50.7 Ų | 50.7 | 37% | 0.374 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | -27.2 | 173.1 | 55.1 | 0 | 0 | 0 | 0 | 111.5 | A55 Q57 F91 | A55-T93 PolarHBondContact O-N 2.83Å; A55-T93 PolarHBondContact O-OG1 3.48Å; Q57-T93 HydrophobicContact CG-CG2 4.37Å; F91-T93 HydrophobicContact CD1-CG2 4.04Å; F91-T93 HydrophobicContact CE1-CG2 4Å; F91-T93 PolarHBondContact O-N 3.36Å |
| 94 | Q | 98 | Very high | 96.5 | Very high | 65 Ų | 65 | 51 Ų | 51 | 30% | 0.304 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 150.3 | 175.8 | 58.9 | 179 | 51.1 | 0 | 0 | 111.7 | V38 Y54 A55 Q137 | V38-Q94 VanDerWaalsContact CG2-NE2 3.27Å; Y54-Q94 WeakPolarHBondContact CA-O 3.39Å; A55-Q94 HydrophobicContact CB-CG 3.59Å; A55-Q94 PolarHBondContact N-O 2.94Å; A55-Q94 PolarHBondContact O-N 2.85Å; Q94-Q137 VanDerWaalsContact CA-CD 3.5Å; Q94-Q137 VanDerWaalsContact CB-NE2 3.29Å |
| 95 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 140.1 | 166.1 | 74.4 | -96.2 | 0 | 0 | 0 | 111.2 | F52 T53 L123 F128 V135 T136 Q137 F142 L146 L149 | F52-F95 HydrophobicContact CE2-CB 4.06Å; F52-F95 HydrophobicContact CZ-CB 4.36Å; T53-F95 CarbonylContact O-C 3.59Å; T53-F95 WeakPolarHBondContact O-CA 3.29Å; F95-L123 HydrophobicContact CE1-CD1 4.42Å; F95-L123 HydrophobicContact CZ-CD1 4.43Å; F95-F128 HydrophobicContact CZ-CB 4Å; F95-V135 HydrophobicContact CE2-CG1 4.42Å; F95-T136 WeakPolarHBondContact O-CA 3.4Å; F95-Q137 HydrophobicContact CD1-CB 3.66Å; F95-Q137 HydrophobicContact CE1-CB 3.44Å; F95-Q137 VanDerWaalsContact CE1-CB 3.44Å; F95-Q137 HydrophobicContact CG-CB 4.37Å; F95-Q137 HydrophobicContact CZ-CB 3.99Å; F95-Q137 PolarHBondContact O-N 2.68Å; F95-Q137 VanDerWaalsContact O-N 3.15Å; F95-Q137 PolarHBondContact O-OE1 3.45Å; F95-F142 HydrophobicContact CD1-CD1 4.22Å; F95-F142 AromaticContact CD1-CE1 3.65Å; F95-F142 HydrophobicContact CD1-CE1 3.65Å; F95-F142 HydrophobicContact CD1-CE2 4.16Å; F95-F142 AromaticContact CD1-CZ 3.64Å; F95-F142 HydrophobicContact CD1-CZ 3.64Å; F95-F142 HydrophobicContact CE1-CD1 4.18Å; F95-F142 AromaticContact CE1-CD2 3.92Å; F95-F142 HydrophobicContact CE1-CD2 3.92Å; F95-F142 AromaticContact CE1-CE1 3.88Å; F95-F142 HydrophobicContact CE1-CE1 3.88Å; F95-F142 AromaticContact CE1-CE2 3.63Å; F95-F142 HydrophobicContact CE1-CE2 3.63Å; F95-F142 HydrophobicContact CE1-CG 4.19Å; F95-F142 AromaticContact CE1-CZ 3.61Å; F95-F142 HydrophobicContact CE1-CZ 3.61Å; F95-L146 HydrophobicContact CB-CD2 3.92Å; F95-L146 HydrophobicContact CD1-CD2 4.05Å; F95-L146 HydrophobicContact CD2-CD2 4.3Å; F95-L146 HydrophobicContact CG-CD2 3.83Å; F95-L149 HydrophobicContact CD2-CD2 4.09Å; F95-L149 HydrophobicContact CE2-CD2 4.25Å |
| 96 | K | 98.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 52.6 Ų | 52.6 | 28% | 0.283 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 128.2 | 171.4 | 178.9 | 179.2 | 66.5 | 146.3 | 0 | 109.1 | F52 T53 E98 T134 V135 T136 | F52-K96 CarbonylContact C-O 3.6Å; F52-K96 WeakPolarHBondContact CA-O 3.46Å; T53-K96 PolarHBondContact N-O 3.02Å; T53-K96 PolarHBondContact O-N 3.11Å; K96-E98 IonicContact NZ-OE2 2.61Å; K96-E98 PolarHBondContact NZ-OE2 2.85Å; K96-T134 HydrophobicContact CD-CG2 4.41Å; K96-V135 CarbonylContact C-O 3.49Å; K96-V135 VanDerWaalsContact CA-O 3.23Å; K96-V135 WeakPolarHBondContact CA-O 3.46Å; K96-T136 HydrophobicContact CB-CG2 4.39Å |
| 97 | A | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 140 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | I51 T134 V135 L149 V151 | I51-A97 CarbonylContact O-C 3.54Å; I51-A97 VanDerWaalsContact O-CA 3.27Å; I51-A97 WeakPolarHBondContact O-CA 3.46Å; A97-T134 CarbonylContact O-C 3.45Å; A97-T134 WeakPolarHBondContact O-CA 3.41Å; A97-V135 HydrophobicContact CB-CB 4.48Å; A97-V135 PolarHBondContact N-O 3.09Å; A97-V135 PolarHBondContact O-N 3.37Å; A97-L149 HydrophobicContact CB-CD2 3.46Å; A97-L149 VanDerWaalsContact CB-CD2 3.46Å; A97-L149 HydrophobicContact CB-CG 4.37Å; A97-V151 HydrophobicContact CB-CG2 3.98Å |
| 98 | E | 98.8 | Very high | 97.5 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 15% | 0.154 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 126.1 | 177.5 | -178.6 | 170.1 | 171.5 | 0 | 0 | 109.4 | I51 K96 K100 S133 T134 | I51-E98 HydrophobicContact CB-CB 4.33Å; I51-E98 PolarHBondContact N-O 3.15Å; I51-E98 PolarHBondContact O-N 2.95Å; K96-E98 IonicContact NZ-OE2 2.61Å; K96-E98 PolarHBondContact NZ-OE2 2.85Å; E98-K100 VanDerWaalsContact OE1-CE 3.27Å; E98-K100 WeakPolarHBondContact OE1-CE 3.48Å; E98-K100 IonicContact OE1-NZ 3.18Å; E98-K100 PolarHBondContact OE1-NZ 2.93Å; E98-S133 CarbonylContact C-O 3.49Å; E98-S133 VanDerWaalsContact CA-O 3.32Å; E98-S133 WeakPolarHBondContact CA-O 3.33Å; E98-T134 HydrophobicContact CB-CG2 4.04Å; E98-T134 HydrophobicContact CG-CG2 3.84Å |
| 99 | L | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 131.5 | 174.4 | -54.2 | -169.8 | 0 | 0 | 0 | 109.9 | E49 C50 F77 C79 T102 I104 S133 V151 | E49-L99 CarbonylContact O-C 3.58Å; E49-L99 WeakPolarHBondContact O-CA 3.36Å; C50-L99 HydrophobicContact CB-CD2 4.05Å; F77-L99 HydrophobicContact CD1-CD1 4.25Å; F77-L99 HydrophobicContact CD1-CD2 4.3Å; F77-L99 HydrophobicContact CE1-CD2 3.93Å; C79-L99 HydrophobicContact CB-CD2 3.79Å; L99-T102 HydrophobicContact CB-CG2 3.56Å; L99-T102 HydrophobicContact CD1-CG2 3.71Å; L99-T102 HydrophobicContact CG-CG2 4.28Å; L99-I104 HydrophobicContact CD1-CG1 3.98Å; L99-I104 HydrophobicContact CG-CG1 4.27Å; L99-S133 PolarHBondContact N-O 3.35Å; L99-V151 HydrophobicContact CD1-CB 4.27Å; L99-V151 HydrophobicContact CD1-CG1 3.63Å; L99-V151 HydrophobicContact CD2-CB 4.29Å; L99-V151 HydrophobicContact CD2-CG1 4.26Å; L99-V151 HydrophobicContact CG-CB 4.48Å; L99-V151 HydrophobicContact CG-CG1 3.91Å |
| 100 | K | 97.9 | Very high | 97.7 | Very high | 86 Ų | 86 | 43 Ų | 43 | 37% | 0.374 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 144 | 170.9 | -55.1 | -64 | -165.9 | 177.9 | 0 | 110.5 | Y48 E49 I51 E98 T102 | Y48-K100 WeakPolarHBondContact CA-O 3.46Å; E49-K100 HydrophobicContact CB-CB 3.99Å; E49-K100 HydrophobicContact CB-CG 4.2Å; E49-K100 PolarHBondContact N-O 2.82Å; E49-K100 PolarHBondContact O-N 2.95Å; I51-K100 HydrophobicContact CD1-CG 4.15Å; E98-K100 VanDerWaalsContact OE1-CE 3.27Å; E98-K100 WeakPolarHBondContact OE1-CE 3.48Å; E98-K100 IonicContact OE1-NZ 3.18Å; E98-K100 PolarHBondContact OE1-NZ 2.93Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 3.45Å |
| 101 | G | 95.1 | Very high | 97.6 | Very high | 55 Ų | 55 | 43.1 Ų | 43.1 | 57% | 0.567 | 22% | 0.218 | S | C | * | . | S | Bend | trans | 79.5 | 1.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y48 | Y48-G101 WeakPolarHBondContact CD1-O 3.48Å; Y48-G101 WeakPolarHBondContact CE1-O 3.17Å |
| 102 | T | 95.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -145.2 | 167.2 | -177.7 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | F77 L99 K100 G153 R154 T155 | F77-T102 HydrophobicContact CB-CG2 4.21Å; F77-T102 HydrophobicContact CD1-CG2 3.71Å; F77-T102 HydrophobicContact CG-CG2 4.41Å; L99-T102 HydrophobicContact CB-CG2 3.56Å; L99-T102 HydrophobicContact CD1-CG2 3.71Å; L99-T102 HydrophobicContact CG-CG2 4.28Å; K100-T102 VanDerWaalsContact C-N 3.28Å; K100-T102 PolarHBondContact O-N 3.45Å; T102-G153 VanDerWaalsContact OG1-CA 3.29Å; T102-G153 WeakPolarHBondContact OG1-CA 2.9Å; T102-G153 PolarHBondContact OG1-O 2.85Å; T102-R154 PolarHBondContact OG1-N 2.97Å; T102-R154 VanDerWaalsContact OG1-N 3.14Å; T102-R154 PolarHBondContact OG1-O 3.22Å; T102-T155 PolarHBondContact OG1-N 3Å |
| 103 | K | 96.2 | Very high | 96.8 | Very high | 75 Ų | 75 | 41 Ų | 41 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.5 | 172.1 | -65.5 | -160.4 | 175 | -151 | 0 | 110.3 | E105 E132 G153 R154 R156 | K103-E105 PolarHBondContact O-N 2.85Å; K103-E132 CarbonylContact C-O 3.55Å; K103-E132 WeakPolarHBondContact CA-O 3.41Å; K103-E132 IonicContact NZ-OE2 3.86Å; K103-E132 PolarHBondContact NZ-OE2 3.19Å; K103-G153 CarbonylContact O-C 3.37Å; K103-G153 WeakPolarHBondContact O-CA 3.32Å; K103-R154 PolarHBondContact N-O 2.88Å; K103-R154 PolarHBondContact O-N 3.36Å; K103-R156 VanDerWaalsContact CE-CZ 3.49Å |
| 104 | I | 98.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 13% | 0.128 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 126.3 | -179.6 | -62.4 | 175.9 | 0 | 0 | 0 | 109.7 | L99 A107 V130 E132 T134 V135 V151 | L99-I104 HydrophobicContact CD1-CG1 3.98Å; L99-I104 HydrophobicContact CG-CG1 4.27Å; I104-A107 HydrophobicContact CG2-CB 4.23Å; I104-V130 HydrophobicContact CB-CG1 4.33Å; I104-V130 HydrophobicContact CD1-CG1 4.37Å; I104-V130 HydrophobicContact CG2-CG1 3.58Å; I104-E132 PolarHBondContact N-O 2.84Å; I104-T134 VanDerWaalsContact CD1-N 3.33Å; I104-V135 HydrophobicContact CD1-CG2 3.77Å; I104-V151 HydrophobicContact CD1-CG1 3.68Å; I104-V151 HydrophobicContact CG1-CG1 3.73Å; I104-V151 HydrophobicContact CG2-CG1 4.06Å |
| 105 | E | 97.3 | Very high | 94.5 | Very high | 101 Ų | 101 | 40.1 Ų | 40.1 | 47% | 0.472 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | -35.3 | 172.1 | 179.3 | 169.1 | 175.7 | 0 | 0 | 110.8 | K103 I152 R154 | K103-E105 PolarHBondContact O-N 2.85Å; E105-I152 PolarHBondContact N-O 2.86Å; E105-R154 HydrophobicContact CB-CB 4.48Å; E105-R154 IonicContact OE1-CZ 3.35Å; E105-R154 IonicContact OE1-NE 2.76Å; E105-R154 IonicContact OE1-NH2 3.73Å; E105-R154 PolarHBondContact OE1-NH2 3.18Å; E105-R154 IonicContact OE2-CZ 2.77Å; E105-R154 VanDerWaalsContact OE2-CZ 3.26Å; E105-R154 IonicContact OE2-NE 2.97Å; E105-R154 PolarHBondContact OE2-NE 2.62Å; E105-R154 IonicContact OE2-NH2 3.26Å; E105-R154 PolarHBondContact OE2-NH2 2.99Å |
| 106 | Y | 97.4 | Very high | 92.8 | Very high | 113 Ų | 113 | 46.9 Ų | 46.9 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 141.9 | 179.6 | 173 | -96.8 | 0 | 0 | 0 | 110.7 | N108 I152 | Y106-N108 HydrophobicContact CE1-CB 4.05Å; Y106-N108 WeakPolarHBondContact OH-CB 3.24Å; Y106-N108 PolarHBondContact OH-ND2 3Å; Y106-I152 HydrophobicContact CD1-CD1 3.92Å; Y106-I152 HydrophobicContact CD1-CG1 4.25Å; Y106-I152 PolarHBondContact N-O 3.23Å; Y106-I152 VanDerWaalsContact N-O 3.12Å; Y106-I152 PolarHBondContact O-N 2.96Å |
| 107 | A | 98.1 | Very high | 90.9 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 142.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I104 V130 V135 T150 V151 | I104-A107 HydrophobicContact CG2-CB 4.23Å; A107-V130 HydrophobicContact CB-CG1 4.1Å; A107-V130 HydrophobicContact CB-CG2 3.84Å; A107-V135 HydrophobicContact CB-CG1 4.49Å; A107-V135 HydrophobicContact CB-CG2 3.51Å; A107-T150 CarbonylContact C-O 3.59Å; A107-T150 VanDerWaalsContact CA-O 3.27Å; A107-T150 WeakPolarHBondContact CA-O 3.15Å; A107-V151 HydrophobicContact CB-CG1 4.23Å |
| 108 | N | 97.4 | Very high | 89.3 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.193 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.2 | 172.4 | -158.6 | 1.1 | 0 | 0 | 0 | 111 | Y106 F110 T150 | Y106-N108 HydrophobicContact CE1-CB 4.05Å; Y106-N108 WeakPolarHBondContact OH-CB 3.24Å; Y106-N108 PolarHBondContact OH-ND2 3Å; N108-F110 HydrophobicContact CB-CE2 4.18Å; N108-F110 HydrophobicContact CB-CZ 4.18Å; N108-F110 WeakPolarHBondContact ND2-CZ 3.27Å; N108-T150 PolarHBondContact N-O 3.02Å; N108-T150 PolarHBondContact O-N 2.76Å |
| 109 | A | 98 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110 | P122 L123 F128 L146 K148 L149 | A109-P122 WeakPolarHBondContact O-CA 3.33Å; A109-L123 HydrophobicContact CB-CB 4.33Å; A109-L123 HydrophobicContact CB-CD1 3.63Å; A109-L123 HydrophobicContact CB-CG 3.96Å; A109-L123 PolarHBondContact O-N 3.14Å; A109-F128 HydrophobicContact CB-CD1 4.42Å; A109-F128 HydrophobicContact CB-CE1 4.26Å; A109-L146 HydrophobicContact CB-CD1 4.21Å; A109-K148 CarbonylContact C-O 3.54Å; A109-K148 VanDerWaalsContact CA-O 3.32Å; A109-K148 WeakPolarHBondContact CA-O 3.3Å; A109-L149 HydrophobicContact CB-CD1 4.05Å |
| 110 | F | 97.5 | Very high | 88 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.5 | -173.9 | -53.5 | -91.4 | 0 | 0 | 0 | 110.3 | N108 T113 D120 V121 P122 S147 K148 | N108-F110 HydrophobicContact CB-CE2 4.18Å; N108-F110 HydrophobicContact CB-CZ 4.18Å; N108-F110 WeakPolarHBondContact ND2-CZ 3.27Å; F110-T113 HydrophobicContact CB-CG2 4.48Å; F110-D120 HydrophobicContact CD1-CB 3.57Å; F110-D120 HydrophobicContact CE1-CB 3.75Å; F110-D120 HydrophobicContact CG-CB 4.36Å; F110-V121 CarbonylContact C-O 3.47Å; F110-V121 WeakPolarHBondContact CA-O 3.32Å; F110-V121 WeakPolarHBondContact CB-O 3.35Å; F110-P122 HydrophobicContact CD1-CB 4.08Å; F110-P122 HydrophobicContact CE1-CB 4.18Å; F110-S147 PolarHBondContact O-N 2.93Å; F110-K148 HydrophobicContact CB-CB 4.24Å; F110-K148 HydrophobicContact CD2-CB 3.93Å; F110-K148 HydrophobicContact CD2-CD 3.85Å; F110-K148 HydrophobicContact CD2-CG 3.78Å; F110-K148 HydrophobicContact CE2-CD 4.15Å; F110-K148 HydrophobicContact CE2-CG 4.29Å; F110-K148 PolarHBondContact N-O 2.85Å; F110-K148 PolarHBondContact O-N 2.8Å |
| 111 | S | 96.2 | Very high | 87.9 | Confident | 12 Ų | 12 | 65 Ų | 65 | 8% | 0.084 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -29.6 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | V121 S147 | S111-V121 PolarHBondContact N-O 3.36Å; S111-V121 WeakPolarHBondContact OG-CG1 3.37Å; S111-V121 PolarHBondContact OG-O 3.1Å; S111-S147 VanDerWaalsContact O-CB 3.3Å; S111-S147 WeakPolarHBondContact O-CB 3.22Å; S111-S147 PolarHBondContact O-OG 2.77Å |
| 112 | E | 92.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 66 Ų | 66 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 141 | 178.8 | -57 | -174.2 | -167.6 | 0 | 0 | 109.2 | K87 V121 | K87-E112 HydrophobicContact CD-CG 4.09Å; K87-E112 VanDerWaalsContact CE-OE1 3.32Å; K87-E112 WeakPolarHBondContact CE-OE1 3.4Å; K87-E112 HydrophobicContact CG-CG 4.17Å; K87-E112 IonicContact NZ-OE1 2.69Å; K87-E112 PolarHBondContact NZ-OE1 2.87Å; E112-V121 HydrophobicContact CB-CB 4.17Å; E112-V121 HydrophobicContact CB-CG2 4.12Å; E112-V121 PolarHBondContact O-N 2.78Å |
| 113 | T | 86.3 | Confident | 88 | Confident | 22 Ų | 22 | 65.8 Ų | 65.8 | 14% | 0.135 | 36% | 0.356 | C | S | . | . | trans | -109.8 | 153.6 | 172.2 | 79.4 | 0 | 0 | 0 | 0 | 111.9 | G86 F110 V115 D120 K148 | G86-T113 VanDerWaalsContact CA-OG1 3.28Å; G86-T113 WeakPolarHBondContact CA-OG1 3.27Å; G86-T113 PolarHBondContact O-N 2.85Å; F110-T113 HydrophobicContact CB-CG2 4.48Å; T113-V115 PolarHBondContact O-N 3.13Å; T113-D120 VanDerWaalsContact CA-OD1 3.27Å; T113-D120 WeakPolarHBondContact CA-OD1 3.32Å; T113-D120 WeakPolarHBondContact CB-OD1 3.26Å; T113-K148 HydrophobicContact CG2-CB 3.34Å; T113-K148 HydrophobicContact CG2-CD 3.66Å; T113-K148 HydrophobicContact CG2-CG 4.18Å | ||
| 114 | A | 79.8 | Confident | 88.1 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 37% | 0.372 | 37% | 0.369 | S | S | . | . | trans | -56.9 | 103.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q118 D120 | A114-Q118 WeakPolarHBondContact CB-O 3.24Å; A114-D120 WeakPolarHBondContact CB-OD1 3.24Å; A114-D120 PolarHBondContact N-OD1 3.34Å | ||
| 115 | V | 68.9 | Low | 87.9 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 38% | 0.376 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -111.2 | 125.2 | 160 | 179.1 | 0 | 0 | 0 | 0 | 106.2 | G86 T113 | G86-V115 VanDerWaalsContact CA-CG2 3.4Å; T113-V115 PolarHBondContact O-N 3.13Å |
| 116 | T | 61.1 | Low | 87.9 | Confident | 142 Ų | 142 | 71 Ų | 71 | 87% | 0.871 | 39% | 0.391 | S | S | * | . | S | Bend | trans | 60.5 | 52.8 | 178.7 | 59.9 | 0 | 0 | 0 | 0 | 116 | ||
| 117 | G | 59.5 | Low | 88 | Confident | 83 Ų | 83 | 66.2 Ų | 66.2 | 86% | 0.856 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 87.3 | 4.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 118 | Q | 65.1 | Low | 88 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 67% | 0.673 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 165.8 | 166.3 | -67.4 | -94.4 | -53.6 | 0 | 0 | 110.7 | A114 | A114-Q118 WeakPolarHBondContact CB-O 3.24Š|
| 119 | R | 81.1 | Confident | 88 | Confident | 225 Ų | 225 | 67.4 Ų | 67.4 | 85% | 0.849 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -94.8 | 148.1 | 171.4 | -74.2 | -173.3 | -77.2 | -168.3 | -3.7 | 110 | ||
| 120 | D | 89.3 | Confident | 88.1 | Confident | 55 Ų | 55 | 70.9 Ų | 70.9 | 29% | 0.294 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 138.1 | 170 | -73.6 | -1.4 | 0 | 0 | 0 | 110 | F110 T113 A114 P122 K148 | F110-D120 HydrophobicContact CD1-CB 3.57Å; F110-D120 HydrophobicContact CE1-CB 3.75Å; F110-D120 HydrophobicContact CG-CB 4.36Å; T113-D120 VanDerWaalsContact CA-OD1 3.27Å; T113-D120 WeakPolarHBondContact CA-OD1 3.32Å; T113-D120 WeakPolarHBondContact CB-OD1 3.26Å; A114-D120 WeakPolarHBondContact CB-OD1 3.24Å; A114-D120 PolarHBondContact N-OD1 3.34Å; D120-P122 WeakPolarHBondContact O-CD 3.37Å; D120-K148 IonicContact OD2-NZ 2.75Å; D120-K148 PolarHBondContact OD2-NZ 2.91Å |
| 121 | V | 95 | Very high | 88.1 | Confident | 63 Ų | 63 | 71.4 Ų | 71.4 | 38% | 0.382 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 102.4 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 108.1 | F110 S111 E112 | F110-V121 CarbonylContact C-O 3.47Å; F110-V121 WeakPolarHBondContact CA-O 3.32Å; F110-V121 WeakPolarHBondContact CB-O 3.35Å; S111-V121 PolarHBondContact N-O 3.36Å; S111-V121 WeakPolarHBondContact OG-CG1 3.37Å; S111-V121 PolarHBondContact OG-O 3.1Å; E112-V121 HydrophobicContact CB-CB 4.17Å; E112-V121 HydrophobicContact CB-CG2 4.12Å; E112-V121 PolarHBondContact O-N 2.78Å |
| 122 | P | 96.5 | Very high | 88.1 | Confident | 76 Ų | 76 | 77.2 Ų | 77.2 | 49% | 0.494 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 147.3 | -178.6 | 29.6 | -34.7 | 0 | 0 | 0 | 110.9 | A109 F110 D120 | A109-P122 WeakPolarHBondContact O-CA 3.33Å; F110-P122 HydrophobicContact CD1-CB 4.08Å; F110-P122 HydrophobicContact CE1-CB 4.18Å; D120-P122 WeakPolarHBondContact O-CD 3.37Å |
| 123 | L | 97.7 | Very high | 88.3 | Confident | 8 Ų | 8 | 76.4 Ų | 76.4 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 151.7 | 164.8 | -64 | -168.7 | 0 | 0 | 0 | 110.1 | F95 A109 E127 F128 F142 Q145 L146 | F95-L123 HydrophobicContact CE1-CD1 4.42Å; F95-L123 HydrophobicContact CZ-CD1 4.43Å; A109-L123 HydrophobicContact CB-CB 4.33Å; A109-L123 HydrophobicContact CB-CD1 3.63Å; A109-L123 HydrophobicContact CB-CG 3.96Å; A109-L123 PolarHBondContact O-N 3.14Å; L123-E127 HydrophobicContact CB-CB 4.4Å; L123-F128 HydrophobicContact CB-CD1 4.17Å; L123-F128 HydrophobicContact CB-CE1 4.02Å; L123-F128 HydrophobicContact CD1-CD1 4.48Å; L123-F142 HydrophobicContact CD1-CD2 4.06Å; L123-F142 HydrophobicContact CD1-CE2 3.69Å; L123-Q145 WeakPolarHBondContact CD2-O 3.44Å; L123-L146 HydrophobicContact CD1-CD1 4.46Å |
| 124 | K | 97 | Very high | 88.9 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 60% | 0.6 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 144.5 | 173.6 | -58.1 | 172.8 | -176.6 | 171.6 | 0 | 109.1 | D126 E127 | K124-D126 WeakPolarHBondContact CB-OD1 3.21Å; K124-D126 PolarHBondContact O-N 2.65Å; K124-E127 HydrophobicContact CB-CG 4.09Å; K124-E127 PolarHBondContact N-OE1 2.83Å; K124-E127 WeakPolarHBondContact O-CB 3.4Å; K124-E127 PolarHBondContact O-N 2.88Å |
| 125 | P | 94.8 | Very high | 89.8 | Confident | 107 Ų | 107 | 75 Ų | 75 | 70% | 0.695 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -20.3 | -179.8 | -26.6 | 35.1 | 0 | 0 | 0 | 114.9 | ||
| 126 | D | 97.1 | Very high | 91.2 | Very high | 66 Ų | 66 | 73.7 Ų | 73.7 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.8 | 176.6 | 69 | -39.7 | 0 | 0 | 0 | 113.8 | K124 F128 R138 K141 | K124-D126 WeakPolarHBondContact CB-OD1 3.21Å; K124-D126 PolarHBondContact O-N 2.65Å; D126-F128 VanDerWaalsContact C-N 3.35Å; D126-R138 VanDerWaalsContact O-CD 3.23Å; D126-R138 WeakPolarHBondContact O-CD 3.48Å; D126-K141 VanDerWaalsContact O-CB 3.23Å; D126-K141 WeakPolarHBondContact O-CB 3.49Å |
| 127 | E | 98.6 | Very high | 93 | Very high | 12 Ų | 12 | 68 Ų | 68 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -80.6 | -14.7 | 176.7 | -67.8 | -173 | -104.2 | 0 | 0 | 113.3 | L123 K124 Q137 R138 F142 S143 | L123-E127 HydrophobicContact CB-CB 4.4Å; K124-E127 HydrophobicContact CB-CG 4.09Å; K124-E127 PolarHBondContact N-OE1 2.83Å; K124-E127 WeakPolarHBondContact O-CB 3.4Å; K124-E127 PolarHBondContact O-N 2.88Å; E127-Q137 CarbonylContact O-C 3.53Å; E127-R138 PolarHBondContact O-N 2.89Å; E127-F142 HydrophobicContact CB-CD2 4.29Å; E127-S143 WeakPolarHBondContact OE2-CB 3.39Å; E127-S143 PolarHBondContact OE2-N 2.81Å; E127-S143 PolarHBondContact OE2-OG 3.19Å |
| 128 | F | 98.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 69.3 Ų | 69.3 | 7% | 0.07 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 168.1 | -179.8 | 64.6 | -83 | 0 | 0 | 0 | 112.4 | F95 A109 L123 D126 V130 V135 T136 R138 | F95-F128 HydrophobicContact CZ-CB 4Å; A109-F128 HydrophobicContact CB-CD1 4.42Å; A109-F128 HydrophobicContact CB-CE1 4.26Å; L123-F128 HydrophobicContact CB-CD1 4.17Å; L123-F128 HydrophobicContact CB-CE1 4.02Å; L123-F128 HydrophobicContact CD1-CD1 4.48Å; D126-F128 VanDerWaalsContact C-N 3.35Å; F128-V130 HydrophobicContact CD2-CG2 3.99Å; F128-V130 HydrophobicContact CE2-CG2 3.78Å; F128-V135 HydrophobicContact CD2-CG1 3.76Å; F128-V135 HydrophobicContact CE2-CG1 4.37Å; F128-T136 CarbonylContact C-O 3.57Å; F128-T136 VanDerWaalsContact CA-O 3.23Å; F128-T136 WeakPolarHBondContact CA-O 3.44Å; F128-T136 VanDerWaalsContact CB-O 3.3Å; F128-T136 WeakPolarHBondContact CB-O 3.33Å; F128-R138 PolarHBondContact O-NE 2.93Å; F128-R138 PolarHBondContact O-NH2 3.21Å |
| 129 | T | 98.4 | Very high | 96.2 | Very high | 60 Ų | 60 | 68.8 Ų | 68.8 | 37% | 0.368 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.1 | 173.2 | 48.6 | 0 | 0 | 0 | 0 | 109.6 | V135 T136 R138 | T129-V135 WeakPolarHBondContact O-CA 3.42Å; T129-T136 PolarHBondContact N-O 3.22Å; T129-T136 PolarHBondContact O-N 3.41Å; T129-T136 PolarHBondContact OG1-O 3.47Å; T129-R138 HydrophobicContact CG2-CG 3.77Å |
| 130 | V | 98.4 | Very high | 96.9 | Very high | 73 Ų | 73 | 62.2 Ų | 62.2 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 115 | 171.9 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | I104 A107 F128 V135 | I104-V130 HydrophobicContact CB-CG1 4.33Å; I104-V130 HydrophobicContact CD1-CG1 4.37Å; I104-V130 HydrophobicContact CG2-CG1 3.58Å; A107-V130 HydrophobicContact CB-CG1 4.1Å; A107-V130 HydrophobicContact CB-CG2 3.84Å; F128-V130 HydrophobicContact CD2-CG2 3.99Å; F128-V130 HydrophobicContact CE2-CG2 3.78Å; V130-V135 HydrophobicContact CG1-CG2 4.48Å; V130-V135 HydrophobicContact CG2-CG1 4.41Å |
| 131 | G | 97.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 65.6 Ų | 65.6 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -98 | -169.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S133 T134 | G131-S133 VanDerWaalsContact C-N 3.32Å; G131-S133 PolarHBondContact O-N 2.93Å; G131-T134 PolarHBondContact N-O 3.06Å | ||
| 132 | E | 96.8 | Very high | 97.4 | Very high | 133 Ų | 133 | 63.8 Ų | 63.8 | 62% | 0.621 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -62.6 | -36.6 | -178.9 | -68.4 | -162 | -168.2 | 0 | 0 | 113.5 | K103 I104 | K103-E132 CarbonylContact C-O 3.55Å; K103-E132 WeakPolarHBondContact CA-O 3.41Å; K103-E132 IonicContact NZ-OE2 3.86Å; K103-E132 PolarHBondContact NZ-OE2 3.19Å; I104-E132 PolarHBondContact N-O 2.84Å |
| 133 | S | 97.6 | Very high | 97.4 | Very high | 41 Ų | 41 | 62.9 Ų | 62.9 | 29% | 0.287 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -133.4 | -3 | -177.2 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | E98 L99 G131 | E98-S133 CarbonylContact C-O 3.49Å; E98-S133 VanDerWaalsContact CA-O 3.32Å; E98-S133 WeakPolarHBondContact CA-O 3.33Å; L99-S133 PolarHBondContact N-O 3.35Å; G131-S133 VanDerWaalsContact C-N 3.32Å; G131-S133 PolarHBondContact O-N 2.93Å |
| 134 | T | 98.5 | Very high | 97.4 | Very high | 38 Ų | 38 | 62.7 Ų | 62.7 | 23% | 0.233 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 141 | -173.9 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | K96 A97 E98 I104 G131 | K96-T134 HydrophobicContact CD-CG2 4.41Å; A97-T134 CarbonylContact O-C 3.45Å; A97-T134 WeakPolarHBondContact O-CA 3.41Å; E98-T134 HydrophobicContact CB-CG2 4.04Å; E98-T134 HydrophobicContact CG-CG2 3.84Å; I104-T134 VanDerWaalsContact CD1-N 3.33Å; G131-T134 PolarHBondContact N-O 3.06Å |
| 135 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 126.2 | 163.1 | -171 | 0 | 0 | 0 | 0 | 107.3 | F95 K96 A97 I104 A107 F128 T129 V130 L149 V151 | F95-V135 HydrophobicContact CE2-CG1 4.42Å; K96-V135 CarbonylContact C-O 3.49Å; K96-V135 VanDerWaalsContact CA-O 3.23Å; K96-V135 WeakPolarHBondContact CA-O 3.46Å; A97-V135 HydrophobicContact CB-CB 4.48Å; A97-V135 PolarHBondContact N-O 3.09Å; A97-V135 PolarHBondContact O-N 3.37Å; I104-V135 HydrophobicContact CD1-CG2 3.77Å; A107-V135 HydrophobicContact CB-CG1 4.49Å; A107-V135 HydrophobicContact CB-CG2 3.51Å; F128-V135 HydrophobicContact CD2-CG1 3.76Å; F128-V135 HydrophobicContact CE2-CG1 4.37Å; T129-V135 WeakPolarHBondContact O-CA 3.42Å; V130-V135 HydrophobicContact CG1-CG2 4.48Å; V130-V135 HydrophobicContact CG2-CG1 4.41Å; V135-L149 HydrophobicContact CB-CD1 4.45Å; V135-L149 HydrophobicContact CG1-CD1 4.06Å; V135-V151 HydrophobicContact CG2-CG1 3.86Å; V135-V151 HydrophobicContact CG2-CG2 3.81Å |
| 136 | T | 98.5 | Very high | 97.7 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 144.6 | -176.2 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | F95 K96 F128 T129 | F95-T136 WeakPolarHBondContact O-CA 3.4Å; K96-T136 HydrophobicContact CB-CG2 4.39Å; F128-T136 CarbonylContact C-O 3.57Å; F128-T136 VanDerWaalsContact CA-O 3.23Å; F128-T136 WeakPolarHBondContact CA-O 3.44Å; F128-T136 VanDerWaalsContact CB-O 3.3Å; F128-T136 WeakPolarHBondContact CB-O 3.33Å; T129-T136 PolarHBondContact N-O 3.22Å; T129-T136 PolarHBondContact O-N 3.41Å; T129-T136 PolarHBondContact OG1-O 3.47Å |
| 137 | Q | 98.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 154.9 | 173.5 | 89.1 | -69.7 | -17.6 | 0 | 0 | 111.4 | Q94 F95 E127 D139 F142 | Q94-Q137 VanDerWaalsContact CA-CD 3.5Å; Q94-Q137 VanDerWaalsContact CB-NE2 3.29Å; F95-Q137 HydrophobicContact CD1-CB 3.66Å; F95-Q137 HydrophobicContact CE1-CB 3.44Å; F95-Q137 VanDerWaalsContact CE1-CB 3.44Å; F95-Q137 HydrophobicContact CG-CB 4.37Å; F95-Q137 HydrophobicContact CZ-CB 3.99Å; F95-Q137 PolarHBondContact O-N 2.68Å; F95-Q137 VanDerWaalsContact O-N 3.15Å; F95-Q137 PolarHBondContact O-OE1 3.45Å; E127-Q137 CarbonylContact O-C 3.53Å; Q137-D139 PolarHBondContact NE2-OD1 2.83Å; Q137-D139 VanDerWaalsContact NE2-OD1 3.08Å; Q137-F142 HydrophobicContact CB-CB 3.97Å; Q137-F142 HydrophobicContact CB-CD1 3.81Å; Q137-F142 HydrophobicContact CB-CE1 4.48Å; Q137-F142 HydrophobicContact CB-CG 3.91Å; Q137-F142 HydrophobicContact CG-CB 4.29Å; Q137-F142 HydrophobicContact CG-CD1 4.01Å; Q137-F142 HydrophobicContact CG-CG 4.42Å |
| 138 | R | 97.9 | Very high | 97.7 | Very high | 110 Ų | 110 | 54.1 Ų | 54.1 | 42% | 0.415 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -97 | 121 | 167.3 | -69.6 | -164.5 | -148.8 | -173.5 | -3.9 | 110.5 | D126 E127 F128 T129 G140 K141 F142 | D126-R138 VanDerWaalsContact O-CD 3.23Å; D126-R138 WeakPolarHBondContact O-CD 3.48Å; E127-R138 PolarHBondContact O-N 2.89Å; F128-R138 PolarHBondContact O-NE 2.93Å; F128-R138 PolarHBondContact O-NH2 3.21Å; T129-R138 HydrophobicContact CG2-CG 3.77Å; R138-G140 PolarHBondContact O-N 2.78Å; R138-K141 HydrophobicContact CB-CB 3.93Å; R138-K141 HydrophobicContact CB-CG 4.27Å; R138-K141 PolarHBondContact O-N 2.91Å; R138-K141 VanDerWaalsContact O-N 3.09Å; R138-F142 PolarHBondContact O-N 2.87Å |
| 139 | D | 94 | Very high | 97.7 | Very high | 133 Ų | 133 | 53.5 Ų | 53.5 | 71% | 0.711 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 135.2 | 178.3 | -61.5 | -23.9 | 0 | 0 | 0 | 111.1 | Q137 K141 | Q137-D139 PolarHBondContact NE2-OD1 2.83Å; Q137-D139 VanDerWaalsContact NE2-OD1 3.08Å; D139-K141 PolarHBondContact O-N 2.82Å; D139-K141 VanDerWaalsContact O-N 3.16Å |
| 140 | G | 94.9 | Very high | 97.6 | Very high | 87 Ų | 87 | 51.6 Ų | 51.6 | 90% | 0.897 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | -2.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R138 | R138-G140 PolarHBondContact O-N 2.78Š|
| 141 | K | 97.8 | Very high | 97.7 | Very high | 125 Ų | 125 | 48.1 Ų | 48.1 | 54% | 0.543 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -41.2 | 174.6 | -65 | -64.1 | -174.5 | 173.7 | 0 | 112.3 | D126 R138 D139 S143 | D126-K141 VanDerWaalsContact O-CB 3.23Å; D126-K141 WeakPolarHBondContact O-CB 3.49Å; R138-K141 HydrophobicContact CB-CB 3.93Å; R138-K141 HydrophobicContact CB-CG 4.27Å; R138-K141 PolarHBondContact O-N 2.91Å; R138-K141 VanDerWaalsContact O-N 3.09Å; D139-K141 PolarHBondContact O-N 2.82Å; D139-K141 VanDerWaalsContact O-N 3.16Å; K141-S143 PolarHBondContact O-N 3.26Å |
| 142 | F | 98.1 | Very high | 97.7 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 11% | 0.114 | 27% | 0.266 | C | S | . | . | trans | -60.9 | 125.5 | 178.9 | 178.8 | -132.7 | 0 | 0 | 0 | 111.7 | F92 F95 L123 E127 Q137 R138 A144 Q145 L146 | F92-F142 HydrophobicContact CB-CE1 3.65Å; F92-F142 HydrophobicContact CB-CZ 3.97Å; F92-F142 WeakPolarHBondContact O-CE1 3.29Å; F95-F142 HydrophobicContact CD1-CD1 4.22Å; F95-F142 AromaticContact CD1-CE1 3.65Å; F95-F142 HydrophobicContact CD1-CE1 3.65Å; F95-F142 HydrophobicContact CD1-CE2 4.16Å; F95-F142 AromaticContact CD1-CZ 3.64Å; F95-F142 HydrophobicContact CD1-CZ 3.64Å; F95-F142 HydrophobicContact CE1-CD1 4.18Å; F95-F142 AromaticContact CE1-CD2 3.92Å; F95-F142 HydrophobicContact CE1-CD2 3.92Å; F95-F142 AromaticContact CE1-CE1 3.88Å; F95-F142 HydrophobicContact CE1-CE1 3.88Å; F95-F142 AromaticContact CE1-CE2 3.63Å; F95-F142 HydrophobicContact CE1-CE2 3.63Å; F95-F142 HydrophobicContact CE1-CG 4.19Å; F95-F142 AromaticContact CE1-CZ 3.61Å; F95-F142 HydrophobicContact CE1-CZ 3.61Å; L123-F142 HydrophobicContact CD1-CD2 4.06Å; L123-F142 HydrophobicContact CD1-CE2 3.69Å; E127-F142 HydrophobicContact CB-CD2 4.29Å; Q137-F142 HydrophobicContact CB-CB 3.97Å; Q137-F142 HydrophobicContact CB-CD1 3.81Å; Q137-F142 HydrophobicContact CB-CE1 4.48Å; Q137-F142 HydrophobicContact CB-CG 3.91Å; Q137-F142 HydrophobicContact CG-CB 4.29Å; Q137-F142 HydrophobicContact CG-CD1 4.01Å; Q137-F142 HydrophobicContact CG-CG 4.42Å; R138-F142 PolarHBondContact O-N 2.87Å; F142-A144 VanDerWaalsContact CE1-CA 3.48Å; F142-A144 PolarHBondContact O-N 2.83Å; F142-A144 VanDerWaalsContact O-N 3.1Å; F142-Q145 VanDerWaalsContact CE2-O 3.27Å; F142-Q145 WeakPolarHBondContact CE2-O 3.3Å; F142-L146 HydrophobicContact CZ-CB 4.1Å | ||
| 143 | S | 97.3 | Very high | 97.7 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 40% | 0.399 | 24% | 0.237 | S | C | . | . | trans | -74.3 | 7.9 | -178.4 | 58.6 | 0 | 0 | 0 | 0 | 114.4 | E127 K141 Q145 | E127-S143 WeakPolarHBondContact OE2-CB 3.39Å; E127-S143 PolarHBondContact OE2-N 2.81Å; E127-S143 PolarHBondContact OE2-OG 3.19Å; K141-S143 PolarHBondContact O-N 3.26Å; S143-Q145 PolarHBondContact O-N 3.34Å | ||
| 144 | A | 97.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 64 | 11.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F91 F92 F142 | F91-A144 HydrophobicContact CD1-CB 3.83Å; F91-A144 HydrophobicContact CD2-CB 3.43Å; F91-A144 VanDerWaalsContact CD2-CB 3.43Å; F91-A144 HydrophobicContact CE1-CB 3.63Å; F91-A144 HydrophobicContact CE2-CB 3.23Å; F91-A144 HydrophobicContact CG-CB 3.73Å; F91-A144 HydrophobicContact CZ-CB 3.32Å; F92-A144 PolarHBondContact N-O 3.44Å; F92-A144 VanDerWaalsContact O-CA 3.24Å; F92-A144 WeakPolarHBondContact O-CA 3.22Å; F92-A144 WeakPolarHBondContact O-CB 3.5Å; F142-A144 VanDerWaalsContact CE1-CA 3.48Å; F142-A144 PolarHBondContact O-N 2.83Å; F142-A144 VanDerWaalsContact O-N 3.1Å |
| 145 | Q | 97.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 44.8 Ų | 44.8 | 43% | 0.425 | 24% | 0.236 | S | C | . | . | trans | -105.3 | 117.2 | 179.1 | -64.4 | 178.6 | 2.4 | 0 | 0 | 110 | L123 F142 S143 | L123-Q145 WeakPolarHBondContact CD2-O 3.44Å; F142-Q145 VanDerWaalsContact CE2-O 3.27Å; F142-Q145 WeakPolarHBondContact CE2-O 3.3Å; S143-Q145 PolarHBondContact O-N 3.34Å | ||
| 146 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | trans | -136.3 | 129.9 | 173.1 | -177.2 | 69.5 | 0 | 0 | 0 | 108.5 | F52 W64 S88 F92 F95 A109 L123 F142 L149 | F52-L146 HydrophobicContact CE2-CD2 4.15Å; F52-L146 HydrophobicContact CZ-CD2 3.9Å; W64-L146 HydrophobicContact CH2-CD2 4.49Å; W64-L146 HydrophobicContact CH2-CG 4.21Å; W64-L146 VanDerWaalsContact CH2-O 3.24Å; W64-L146 WeakPolarHBondContact CH2-O 3.3Å; W64-L146 WeakPolarHBondContact CZ2-O 3.23Å; S88-L146 WeakPolarHBondContact CB-O 3.44Å; F92-L146 HydrophobicContact CD2-CB 3.89Å; F92-L146 HydrophobicContact CE2-CB 4.08Å; F92-L146 WeakPolarHBondContact CE2-O 3.34Å; F92-L146 HydrophobicContact CG-CB 4.2Å; F95-L146 HydrophobicContact CB-CD2 3.92Å; F95-L146 HydrophobicContact CD1-CD2 4.05Å; F95-L146 HydrophobicContact CD2-CD2 4.3Å; F95-L146 HydrophobicContact CG-CD2 3.83Å; A109-L146 HydrophobicContact CB-CD1 4.21Å; L123-L146 HydrophobicContact CD1-CD1 4.46Å; F142-L146 HydrophobicContact CZ-CB 4.1Å; L146-L149 HydrophobicContact CD1-CB 4.47Å | ||
| 147 | S | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -128.8 | -20.7 | 173.9 | -64.2 | 0 | 0 | 0 | 0 | 113 | W82 R83 G86 K87 S88 F110 S111 | W82-S147 CarbonylContact C-O 3.56Å; W82-S147 VanDerWaalsContact CA-O 3.24Å; W82-S147 WeakPolarHBondContact CA-O 3.45Å; R83-S147 PolarHBondContact N-O 3.18Å; G86-S147 WeakPolarHBondContact O-CB 3.16Å; G86-S147 PolarHBondContact O-OG 2.88Å; K87-S147 WeakPolarHBondContact CA-OG 3.45Å; S88-S147 PolarHBondContact N-OG 3.03Å; F110-S147 PolarHBondContact O-N 2.93Å; S111-S147 VanDerWaalsContact O-CB 3.3Å; S111-S147 WeakPolarHBondContact O-CB 3.22Å; S111-S147 PolarHBondContact O-OG 2.77Å |
| 148 | K | 98 | Very high | 92 | Very high | 52 Ų | 52 | 61 Ų | 61 | 23% | 0.226 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 143.1 | 173.7 | 172.3 | 179.1 | 170.9 | -168.4 | 0 | 111.2 | V81 W82 A109 F110 T113 D120 T150 | V81-K148 CarbonylContact O-C 3.53Å; V81-K148 VanDerWaalsContact O-CA 3.26Å; V81-K148 WeakPolarHBondContact O-CA 3.32Å; W82-K148 HydrophobicContact CB-CB 3.83Å; W82-K148 HydrophobicContact CB-CD 4.47Å; W82-K148 HydrophobicContact CB-CG 3.95Å; A109-K148 CarbonylContact C-O 3.54Å; A109-K148 VanDerWaalsContact CA-O 3.32Å; A109-K148 WeakPolarHBondContact CA-O 3.3Å; F110-K148 HydrophobicContact CB-CB 4.24Å; F110-K148 HydrophobicContact CD2-CB 3.93Å; F110-K148 HydrophobicContact CD2-CD 3.85Å; F110-K148 HydrophobicContact CD2-CG 3.78Å; F110-K148 HydrophobicContact CE2-CD 4.15Å; F110-K148 HydrophobicContact CE2-CG 4.29Å; F110-K148 PolarHBondContact N-O 2.85Å; F110-K148 PolarHBondContact O-N 2.8Å; T113-K148 HydrophobicContact CG2-CB 3.34Å; T113-K148 HydrophobicContact CG2-CD 3.66Å; T113-K148 HydrophobicContact CG2-CG 4.18Å; D120-K148 IonicContact OD2-NZ 2.75Å; D120-K148 PolarHBondContact OD2-NZ 2.91Å; K148-T150 WeakPolarHBondContact CE-OG1 3.27Å |
| 149 | L | 98.4 | Very high | 89.2 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.6 | 171 | 175.5 | 57.8 | 0 | 0 | 0 | 107.7 | F52 S80 V81 F95 A97 A109 V135 L146 V151 | F52-L149 HydrophobicContact CD2-CD2 4.37Å; F52-L149 HydrophobicContact CE2-CD2 4.22Å; S80-L149 CarbonylContact C-O 3.5Å; S80-L149 VanDerWaalsContact CA-O 3.29Å; S80-L149 WeakPolarHBondContact CA-O 3.07Å; V81-L149 PolarHBondContact N-O 3.49Å; V81-L149 PolarHBondContact O-N 3.48Å; F95-L149 HydrophobicContact CD2-CD2 4.09Å; F95-L149 HydrophobicContact CE2-CD2 4.25Å; A97-L149 HydrophobicContact CB-CD2 3.46Å; A97-L149 VanDerWaalsContact CB-CD2 3.46Å; A97-L149 HydrophobicContact CB-CG 4.37Å; A109-L149 HydrophobicContact CB-CD1 4.05Å; V135-L149 HydrophobicContact CB-CD1 4.45Å; V135-L149 HydrophobicContact CG1-CD1 4.06Å; L146-L149 HydrophobicContact CD1-CB 4.47Å; L149-V151 HydrophobicContact CD1-CG2 3.97Å; L149-V151 HydrophobicContact CD2-CG2 4.45Å; L149-V151 HydrophobicContact CG-CG2 3.91Å |
| 150 | T | 98.2 | Very high | 86.4 | Confident | 20 Ų | 20 | 69 Ų | 69 | 12% | 0.123 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.4 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 108.1 | C79 S80 A107 N108 K148 I152 | C79-T150 CarbonylContact O-C 3.5Å; C79-T150 WeakPolarHBondContact O-CA 3.45Å; S80-T150 PolarHBondContact OG-OG1 2.8Å; S80-T150 VanDerWaalsContact OG-OG1 3.13Å; A107-T150 CarbonylContact C-O 3.59Å; A107-T150 VanDerWaalsContact CA-O 3.27Å; A107-T150 WeakPolarHBondContact CA-O 3.15Å; N108-T150 PolarHBondContact N-O 3.02Å; N108-T150 PolarHBondContact O-N 2.76Å; K148-T150 WeakPolarHBondContact CE-OG1 3.27Å; T150-I152 HydrophobicContact CG2-CG1 4.39Å |
| 151 | V | 98.6 | Very high | 86 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 124 | 179.9 | -163.1 | 0 | 0 | 0 | 0 | 108.1 | C79 A97 L99 I104 A107 V135 L149 | C79-V151 PolarHBondContact N-O 2.79Å; C79-V151 PolarHBondContact O-N 2.96Å; A97-V151 HydrophobicContact CB-CG2 3.98Å; L99-V151 HydrophobicContact CD1-CB 4.27Å; L99-V151 HydrophobicContact CD1-CG1 3.63Å; L99-V151 HydrophobicContact CD2-CB 4.29Å; L99-V151 HydrophobicContact CD2-CG1 4.26Å; L99-V151 HydrophobicContact CG-CB 4.48Å; L99-V151 HydrophobicContact CG-CG1 3.91Å; I104-V151 HydrophobicContact CD1-CG1 3.68Å; I104-V151 HydrophobicContact CG1-CG1 3.73Å; I104-V151 HydrophobicContact CG2-CG1 4.06Å; A107-V151 HydrophobicContact CB-CG1 4.23Å; V135-V151 HydrophobicContact CG2-CG1 3.86Å; V135-V151 HydrophobicContact CG2-CG2 3.81Å; L149-V151 HydrophobicContact CD1-CG2 3.97Å; L149-V151 HydrophobicContact CD2-CG2 4.45Å; L149-V151 HydrophobicContact CG-CG2 3.91Å |
| 152 | I | 98.3 | Very high | 85.4 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.3 | 177.7 | -57 | 175.7 | 0 | 0 | 0 | 107.2 | L76 F77 E105 Y106 T150 | L76-I152 HydrophobicContact CB-CG2 4.31Å; L76-I152 HydrophobicContact CD2-CG2 4.14Å; F77-I152 CarbonylContact O-C 3.6Å; F77-I152 WeakPolarHBondContact O-CA 3.28Å; E105-I152 PolarHBondContact N-O 2.86Å; Y106-I152 HydrophobicContact CD1-CD1 3.92Å; Y106-I152 HydrophobicContact CD1-CG1 4.25Å; Y106-I152 PolarHBondContact N-O 3.23Å; Y106-I152 VanDerWaalsContact N-O 3.12Å; Y106-I152 PolarHBondContact O-N 2.96Å; T150-I152 HydrophobicContact CG2-CG1 4.39Å |
| 153 | G | 97.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 140.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F77 T102 K103 T155 | F77-G153 PolarHBondContact N-O 3.19Å; F77-G153 PolarHBondContact O-N 2.57Å; T102-G153 VanDerWaalsContact OG1-CA 3.29Å; T102-G153 WeakPolarHBondContact OG1-CA 2.9Å; T102-G153 PolarHBondContact OG1-O 2.85Å; K103-G153 CarbonylContact O-C 3.37Å; K103-G153 WeakPolarHBondContact O-CA 3.32Å; G153-T155 PolarHBondContact O-N 2.85Å |
| 154 | R | 96.2 | Very high | 84 | Confident | 127 Ų | 127 | 67.9 Ų | 67.9 | 48% | 0.479 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.4 | 171.2 | -174.3 | 167.7 | -69.7 | -117 | 0.3 | 111 | T102 K103 E105 | T102-R154 PolarHBondContact OG1-N 2.97Å; T102-R154 VanDerWaalsContact OG1-N 3.14Å; T102-R154 PolarHBondContact OG1-O 3.22Å; K103-R154 PolarHBondContact N-O 2.88Å; K103-R154 PolarHBondContact O-N 3.36Å; E105-R154 HydrophobicContact CB-CB 4.48Å; E105-R154 IonicContact OE1-CZ 3.35Å; E105-R154 IonicContact OE1-NE 2.76Å; E105-R154 IonicContact OE1-NH2 3.73Å; E105-R154 PolarHBondContact OE1-NH2 3.18Å; E105-R154 IonicContact OE2-CZ 2.77Å; E105-R154 VanDerWaalsContact OE2-CZ 3.26Å; E105-R154 IonicContact OE2-NE 2.97Å; E105-R154 PolarHBondContact OE2-NE 2.62Å; E105-R154 IonicContact OE2-NH2 3.26Å; E105-R154 PolarHBondContact OE2-NH2 2.99Å |
| 155 | T | 90.6 | Very high | 83.1 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.018 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 132.2 | 171.9 | 75.2 | 0 | 0 | 0 | 0 | 107.7 | Y48 L70 D74 Q75 F77 T102 G153 | Y48-T155 HydrophobicContact CD1-CG2 4.2Å; Y48-T155 HydrophobicContact CE1-CG2 3.51Å; Y48-T155 HydrophobicContact CE2-CG2 3.99Å; Y48-T155 VanDerWaalsContact OH-CB 3.23Å; Y48-T155 WeakPolarHBondContact OH-CB 3.32Å; Y48-T155 WeakPolarHBondContact OH-CG2 3.44Å; L70-T155 HydrophobicContact CD2-CG2 4.05Å; D74-T155 WeakPolarHBondContact O-CB 3.37Å; D74-T155 WeakPolarHBondContact O-CG2 3.32Å; D74-T155 PolarHBondContact O-OG1 3.35Å; Q75-T155 VanDerWaalsContact C-OG1 3.24Å; Q75-T155 WeakPolarHBondContact CA-OG1 3.26Å; Q75-T155 PolarHBondContact O-N 2.69Å; Q75-T155 PolarHBondContact O-OG1 3.29Å; Q75-T155 VanDerWaalsContact O-OG1 3.14Å; F77-T155 HydrophobicContact CB-CG2 4.05Å; T102-T155 PolarHBondContact OG1-N 3Å; G153-T155 PolarHBondContact O-N 2.85Å |
| 156 | R | 74.4 | Confident | 82.1 | Confident | 135 Ų | 135 | 70.6 Ų | 70.6 | 51% | 0.509 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 119.1 | 173.6 | -68.9 | -177.3 | 175.9 | -168.6 | -6.7 | 108 | K103 E158 | K103-R156 VanDerWaalsContact CE-CZ 3.49Å; R156-E158 VanDerWaalsContact C-N 3.26Å; R156-E158 HydrophobicContact CB-CG 4.36Å; R156-E158 IonicContact NH1-OE1 2.95Å; R156-E158 PolarHBondContact NH1-OE1 3.26Å; R156-E158 PolarHBondContact O-N 2.8Å |
| 157 | H | 60 | Low | 81 | Confident | 127 Ų | 127 | 75.6 Ų | 75.6 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | trans | -76 | 86.8 | 151 | -101.1 | 89.1 | 0 | 0 | 0 | 106.7 | Q75 E159 | Q75-H157 PolarHBondContact NE2-ND1 2.78Å; H157-E159 VanDerWaalsContact C-N 3.32Å; H157-E159 PolarHBondContact O-N 3.36Å | ||
| 158 | E | 49.9 | Very low | 79.7 | Confident | 135 Ų | 135 | 81.5 Ų | 81.5 | 63% | 0.631 | 38% | 0.375 | S | S | * | . | trans | -79.2 | 94.2 | 158.9 | -80.6 | -178.7 | -165.8 | 0 | 0 | 106 | R156 L160 | R156-E158 VanDerWaalsContact C-N 3.26Å; R156-E158 HydrophobicContact CB-CG 4.36Å; R156-E158 IonicContact NH1-OE1 2.95Å; R156-E158 PolarHBondContact NH1-OE1 3.26Å; R156-E158 PolarHBondContact O-N 2.8Å; E158-L160 PolarHBondContact O-N 3.08Å | ||
| 159 | E | 38.7 | Very low | 78.1 | Confident | 179 Ų | 179 | 83.9 Ų | 83.9 | 84% | 0.836 | 39% | 0.388 | S | S | * | . | trans | -66 | 110.4 | 160.4 | -66.9 | -174.4 | 164.6 | 0 | 0 | 106.6 | H157 | H157-E159 VanDerWaalsContact C-N 3.32Å; H157-E159 PolarHBondContact O-N 3.36Å | ||
| 160 | L | 36.9 | Very low | 76.3 | Confident | 233 Ų | 233 | 91.4 Ų | 91.4 | 100% | 1.22 | 42% | 0.422 | S | S | * | . | trans | -83.9 | 0 | 170.5 | -84.6 | 161.2 | 0 | 0 | 0 | 110.1 | E158 | E158-L160 PolarHBondContact O-N 3.08Š|
Retrieved 160 of 160 residues in 263.7 ms
(Link to these results)