| 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 | 38.4 | Very low | 38.3 | Very low | 234 Ų | 234 | 160.4 Ų | 160.4 | 100% | 1.153 | 85% | 0.852 | S | S | * | * | 0 | 131.3 | 0 | -71.8 | 178.3 | -173.5 | 0 | 0 | 108.2 | |||||
| 2 | Q | 38.4 | Very low | 37.9 | Very low | 178 Ų | 178 | 152.1 Ų | 152.1 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | trans | 54.5 | 102.8 | 157.7 | -65.7 | 168.1 | -28.9 | 0 | 0 | 117.1 | ||||
| 3 | W | 33.7 | Very low | 37.8 | Very low | 251 Ų | 251 | 148.4 Ų | 148.4 | 95% | 0.951 | 82% | 0.824 | S | S | * | * | 35 | 107 | 75.7 | -84.8 | 50.9 | 0 | 0 | 0 | 114.8 | |||||
| 4 | L | 41 | Very low | 37.6 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | trans | -160.9 | 75.4 | 151.4 | -100 | 157.1 | 0 | 0 | 0 | 109 | V6 | L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 HydrophobicContact CD2-CG2 3.63Å; L4-V6 PolarHBondContact O-N 2.78Å | ||
| 5 | A | 40.7 | Very low | 37.6 | Very low | 96 Ų | 96 | 151.6 Ų | 151.6 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | trans | -76.3 | 94.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107 | L7 | A5-L7 PolarHBondContact O-N 2.94Š| ||
| 6 | V | 39.3 | Very low | 37.6 | Very low | 115 Ų | 115 | 149.1 Ų | 149.1 | 70% | 0.697 | 81% | 0.808 | S | S | * | * | trans | -79.3 | 110.6 | 177.6 | 176.2 | 0 | 0 | 0 | 0 | 108.9 | L4 L8 | L4-V6 HydrophobicContact CB-CG2 4.47Å; L4-V6 HydrophobicContact CD2-CG2 3.63Å; L4-V6 PolarHBondContact O-N 2.78Å; V6-L8 PolarHBondContact O-N 3.25Å | ||
| 7 | L | 38.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 145.6 Ų | 145.6 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -45.6 | 119.9 | 168.6 | -92.2 | 115.8 | 0 | 0 | 0 | 112.9 | A5 | A5-L7 PolarHBondContact O-N 2.94Š| ||
| 8 | L | 36.4 | Very low | 38.2 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -93.5 | 75.8 | 161.4 | -79.7 | 167.5 | 0 | 0 | 0 | 110 | V6 | V6-L8 PolarHBondContact O-N 3.25Š| ||
| 9 | I | 40.4 | Very low | 38.6 | Very low | 150 Ų | 150 | 136.2 Ų | 136.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -146 | 84.3 | 163 | -49.2 | 177.4 | 0 | 0 | 0 | 109.5 | ||||
| 10 | A | 34.7 | Very low | 39.5 | Very low | 101 Ų | 101 | 133.9 Ų | 133.9 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | trans | -141.9 | 48.6 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G12 | A10-G12 PolarHBondContact O-N 3.23Š| ||
| 11 | L | 39.8 | Very low | 40.8 | Very low | 166 Ų | 166 | 129.5 Ų | 129.5 | 87% | 0.869 | 72% | 0.72 | S | S | * | * | trans | -76.8 | 84.9 | 155.6 | -89.6 | 152.9 | 0 | 0 | 0 | 106.6 | C13 | L11-C13 PolarHBondContact O-N 3.5Š| ||
| 12 | G | 33.6 | Very low | 42.7 | Very low | 61 Ų | 61 | 122.7 Ų | 122.7 | 63% | 0.629 | 69% | 0.685 | S | S | * | * | trans | -58.3 | 91.6 | 164 | 0 | 0 | 0 | 0 | 0 | 108.5 | A10 F14 | A10-G12 PolarHBondContact O-N 3.23Å; G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.78Å | ||
| 13 | C | 35.8 | Very low | 45.1 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 70% | 0.703 | 67% | 0.665 | S | S | * | * | trans | -62.5 | 100.7 | 164.1 | -70.9 | 0 | 0 | 0 | 0 | 106.6 | L11 H15 | L11-C13 PolarHBondContact O-N 3.5Å; C13-H15 PolarHBondContact O-N 3.25Å | ||
| 14 | F | 34.9 | Very low | 47.6 | Very low | 194 Ų | 194 | 107 Ų | 107 | 85% | 0.851 | 62% | 0.622 | S | S | * | * | trans | -46.7 | 107.9 | 164 | -81.7 | -93.5 | 0 | 0 | 0 | 108.3 | G12 V16 | G12-F14 VanDerWaalsContact C-N 3.31Å; G12-F14 PolarHBondContact O-N 2.78Å; F14-V16 HydrophobicContact CB-CG2 4.27Å; F14-V16 PolarHBondContact O-N 3.24Å | ||
| 15 | H | 38 | Very low | 49.9 | Very low | 151 Ų | 151 | 104.3 Ų | 104.3 | 70% | 0.699 | 61% | 0.608 | S | S | * | * | trans | -65.4 | 81.6 | 160.8 | -82.7 | -78.5 | 0 | 0 | 0 | 106.9 | C13 S17 | C13-H15 PolarHBondContact O-N 3.25Å; H15-S17 PolarHBondContact O-N 2.63Å | ||
| 16 | V | 37.8 | Very low | 52.3 | Low | 112 Ų | 112 | 101.5 Ų | 101.5 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | trans | -69.6 | 93.3 | 162.7 | 180 | 0 | 0 | 0 | 0 | 105.3 | F14 T18 | F14-V16 HydrophobicContact CB-CG2 4.27Å; F14-V16 PolarHBondContact O-N 3.24Å; V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 HydrophobicContact CG1-CG2 4.18Å; V16-T18 PolarHBondContact O-N 3.27Å | ||
| 17 | S | 39.5 | Very low | 54.9 | Low | 90 Ų | 90 | 99.4 Ų | 99.4 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | trans | -60.3 | 97.5 | 168.7 | -55.1 | 0 | 0 | 0 | 0 | 107.4 | H15 A19 | H15-S17 PolarHBondContact O-N 2.63Å; S17-A19 PolarHBondContact O-N 2.9Å | ||
| 18 | T | 46.7 | Very low | 57.6 | Low | 36 Ų | 36 | 95.9 Ų | 95.9 | 22% | 0.221 | 55% | 0.547 | C | S | . | . | trans | -74.4 | 114.4 | 179.5 | 43.2 | 0 | 0 | 0 | 0 | 108.8 | V16 H20 | V16-T18 VanDerWaalsContact C-N 3.33Å; V16-T18 HydrophobicContact CG1-CG2 4.18Å; V16-T18 PolarHBondContact O-N 3.27Å; T18-H20 PolarHBondContact O-N 3.29Å | ||
| 19 | A | 45.5 | Very low | 60.5 | Low | 75 Ų | 75 | 89 Ų | 89 | 62% | 0.62 | 51% | 0.513 | S | S | * | . | trans | -53.8 | 127.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109 | S17 S21 | S17-A19 PolarHBondContact O-N 2.9Å; A19-S21 PolarHBondContact O-N 3.4Å | ||
| 20 | H | 57.6 | Low | 63.2 | Low | 91 Ų | 91 | 83.9 Ų | 83.9 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -65.1 | -17.4 | -162.9 | -146.8 | 59.9 | 0 | 0 | 0 | 114.3 | T18 V204 | T18-H20 PolarHBondContact O-N 3.29Å; H20-V204 WeakPolarHBondContact ND1-CG1 2.99Å |
| 21 | S | 65.8 | Low | 66.2 | Low | 41 Ų | 41 | 79.6 Ų | 79.6 | 29% | 0.287 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 103.9 | 179.8 | -167 | 0 | 0 | 0 | 0 | 111.6 | A19 K23 Q201 I202 | A19-S21 PolarHBondContact O-N 3.4Å; S21-K23 WeakPolarHBondContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CG 3.02Å; S21-Q201 PolarHBondContact OG-OE1 2.83Å; S21-I202 WeakPolarHBondContact CA-O 3.41Å |
| 22 | E | 79.1 | Confident | 68.9 | Low | 91 Ų | 91 | 74.8 Ų | 74.8 | 43% | 0.425 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 135.9 | 155.4 | -72 | -171.8 | -168.3 | 0 | 0 | 107.9 | S151 F152 Q201 I202 | E22-S151 WeakPolarHBondContact OE2-CB 3.48Å; E22-S151 PolarHBondContact OE2-OG 2.91Å; E22-F152 HydrophobicContact CB-CE2 3.96Å; E22-F152 HydrophobicContact CB-CZ 3.75Å; E22-F152 VanDerWaalsContact O-CZ 3.29Å; E22-F152 WeakPolarHBondContact O-CZ 3.17Å; E22-Q201 WeakPolarHBondContact O-CA 3.39Å; E22-Q201 VanDerWaalsContact O-CB 3.28Å; E22-Q201 WeakPolarHBondContact O-CB 3.33Å; E22-I202 PolarHBondContact O-N 2.89Å; E22-I202 VanDerWaalsContact O-N 3.12Å |
| 23 | K | 88 | Confident | 71.9 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 40% | 0.404 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 142.8 | 179.4 | -51.6 | -174.1 | -175.9 | -175.2 | 0 | 109.8 | S21 Y195 V200 Q201 | S21-K23 WeakPolarHBondContact OG-CE 3.25Å; S21-K23 WeakPolarHBondContact OG-CG 3.02Å; K23-Y195 HydrophobicContact CB-CD1 4.33Å; K23-Y195 HydrophobicContact CD-CD1 3.89Å; K23-Y195 HydrophobicContact CD-CD2 3.95Å; K23-Y195 HydrophobicContact CD-CE1 3.68Å; K23-Y195 HydrophobicContact CD-CE2 3.76Å; K23-Y195 HydrophobicContact CD-CG 4Å; K23-V200 WeakPolarHBondContact CA-O 2.89Å; K23-Q201 HydrophobicContact CB-CB 4.41Å; K23-Q201 HydrophobicContact CG-CB 3.87Å |
| 24 | C | 86.5 | Confident | 74.6 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 5% | 0.054 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 124.2 | 172.8 | -163.7 | 0 | 0 | 0 | 0 | 110.8 | F152 F154 G199 V200 | C24-F152 HydrophobicContact CB-CB 4.41Å; C24-F152 HydrophobicContact CB-CD2 3.4Å; C24-F152 HydrophobicContact CB-CE2 3.78Å; C24-F152 HydrophobicContact CB-CG 3.9Å; C24-F154 HydrophobicContact CB-CE2 4.22Å; C24-F154 HydrophobicContact CB-CZ 3.93Å; C24-F154 VanDerWaalsContact SG-CZ 3.58Å; C24-G199 WeakPolarHBondContact O-CA 3.15Å; C24-V200 HydrophobicContact CB-CG1 4.47Å; C24-V200 PolarHBondContact N-O 3.41Å; C24-V200 PolarHBondContact O-N 2.63Å |
| 25 | L | 89 | Confident | 77.3 | Confident | 96 Ų | 96 | 68.9 Ų | 68.9 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | trans | -83.2 | 148.9 | 176.9 | -64.8 | 175.6 | 0 | 0 | 0 | 111 | R149 Y195 | L25-R149 PolarHBondContact O-NH1 3.16Å; L25-R149 VanDerWaalsContact O-NH1 3.1Å; L25-Y195 HydrophobicContact CD2-CD1 4.21Å; L25-Y195 HydrophobicContact CD2-CE1 4.34Å | ||
| 26 | T | 90.7 | Very high | 79.6 | Confident | 37 Ų | 37 | 63.1 Ų | 63.1 | 23% | 0.227 | 34% | 0.342 | C | S | . | . | trans | -61.1 | 155.1 | 167.8 | 54.6 | 0 | 0 | 0 | 0 | 110.2 | H165 G198 | T26-H165 WeakPolarHBondContact CB-O 3.38Å; T26-H165 VanDerWaalsContact CG2-O 3.24Å; T26-H165 WeakPolarHBondContact CG2-O 3.42Å; T26-G198 WeakPolarHBondContact CG2-O 3.43Å | ||
| 27 | K | 94 | Very high | 81.7 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.309 | 34% | 0.337 | S | S | . | . | trans | -122.6 | 140.6 | 171.6 | -61 | -64.6 | 179.2 | -175.9 | 0 | 106.9 | W114 F115 I164 H165 | K27-W114 HydrophobicContact CB-CB 4.23Å; K27-W114 HydrophobicContact CB-CG 4.28Å; K27-W114 HydrophobicContact CD-CG 4.28Å; K27-W114 HydrophobicContact CG-CB 4.28Å; K27-W114 HydrophobicContact CG-CD2 4.29Å; K27-W114 HydrophobicContact CG-CG 3.81Å; K27-F115 HydrophobicContact CB-CE2 4.14Å; K27-F115 HydrophobicContact CB-CZ 4.06Å; K27-I164 CarbonylContact O-C 3.39Å; K27-I164 WeakPolarHBondContact O-CA 3.43Å; K27-H165 HydrophobicContact CB-CB 4.3Å; K27-H165 PolarHBondContact O-N 2.91Å | ||
| 28 | T | 95.4 | Very high | 83.4 | Confident | 73 Ų | 73 | 64.2 Ų | 64.2 | 45% | 0.448 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 142.5 | 178.6 | -60 | 0 | 0 | 0 | 0 | 108.2 | V163 I164 | T28-V163 WeakPolarHBondContact CA-O 3.24Å; T28-I164 HydrophobicContact CG2-CG1 3.97Å |
| 29 | S | 97.3 | Very high | 85.1 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 173.8 | 168.4 | -158.9 | 0 | 0 | 0 | 0 | 110.3 | Y117 Q162 V163 | S29-Y117 PolarHBondContact OG-OH 3.5Å; S29-Q162 CarbonylContact O-C 3.58Å; S29-Q162 WeakPolarHBondContact O-CA 3.39Å; S29-V163 PolarHBondContact N-O 3.29Å; S29-V163 PolarHBondContact O-N 3.13Å |
| 30 | T | 97.8 | Very high | 86.7 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 26% | 0.264 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142 | -172.8 | -46.4 | 0 | 0 | 0 | 0 | 110.4 | Y32 Y117 D161 Q162 | T30-Y32 WeakPolarHBondContact O-CE2 3.2Å; T30-Y117 WeakPolarHBondContact O-CE1 3.46Å; T30-Y117 PolarHBondContact O-OH 2.75Å; T30-Y117 VanDerWaalsContact O-OH 3.05Å; T30-D161 CarbonylContact C-O 3.5Å; T30-D161 VanDerWaalsContact CA-O 3.31Å; T30-D161 WeakPolarHBondContact CA-O 3.45Å; T30-D161 HydrophobicContact CG2-CB 3.91Å; T30-Q162 HydrophobicContact CG2-CG 4.34Å |
| 31 | S | 97.4 | Very high | 87.8 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 8% | 0.077 | 34% | 0.336 | C | S | . | . | trans | -81 | 151.7 | 167.2 | -62.3 | 0 | 0 | 0 | 0 | 110.1 | L128 I130 D161 | S31-L128 WeakPolarHBondContact CA-O 3.25Å; S31-I130 PolarHBondContact OG-N 2.55Å; S31-D161 PolarHBondContact N-O 2.82Å | ||
| 32 | Y | 97.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 73.2 Ų | 73.2 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.3 | -179.1 | -54.5 | -83.9 | 0 | 0 | 0 | 110.2 | T30 Y77 G127 L128 | T30-Y32 WeakPolarHBondContact O-CE2 3.2Å; Y32-Y77 HydrophobicContact CD1-CD1 4.41Å; Y32-Y77 AromaticContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CE1 4.08Å; Y32-Y77 AromaticContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CG 4.26Å; Y32-Y77 AromaticContact CD1-CZ 3.56Å; Y32-Y77 AromaticContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD2 4.47Å; Y32-Y77 AromaticContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE2 4.45Å; Y32-Y77 HydrophobicContact CD2-CG 4.14Å; Y32-Y77 HydrophobicContact CE1-CD2 4.38Å; Y32-Y77 AromaticContact CE1-CE1 3.93Å; Y32-Y77 HydrophobicContact CE1-CE1 3.93Å; Y32-Y77 AromaticContact CE1-CE2 3.59Å; Y32-Y77 HydrophobicContact CE1-CE2 3.59Å; Y32-Y77 AromaticContact CE1-CZ 3.31Å; Y32-Y77 VanDerWaalsContact CE1-OH 3.24Å; Y32-Y77 WeakPolarHBondContact CE1-OH 3.33Å; Y32-Y77 HydrophobicContact CE2-CD1 4.08Å; Y32-Y77 AromaticContact CE2-CE1 3.56Å; Y32-Y77 HydrophobicContact CE2-CE1 3.56Å; Y32-Y77 AromaticContact CE2-CZ 3.88Å; Y32-Y77 AromaticContact CG-CD1 3.94Å; Y32-Y77 HydrophobicContact CG-CD1 3.94Å; Y32-Y77 AromaticContact CG-CD2 3.81Å; Y32-Y77 HydrophobicContact CG-CD2 3.81Å; Y32-Y77 AromaticContact CG-CE1 3.97Å; Y32-Y77 HydrophobicContact CG-CE1 3.97Å; Y32-Y77 AromaticContact CG-CE2 3.86Å; Y32-Y77 HydrophobicContact CG-CE2 3.86Å; Y32-Y77 AromaticContact CG-CG 3.85Å; Y32-Y77 HydrophobicContact CG-CG 3.85Å; Y32-Y77 AromaticContact CG-CZ 3.93Å; Y32-Y77 AromaticContact CZ-CE1 3.67Å; Y32-Y77 AromaticContact CZ-CZ 3.48Å; Y32-Y77 VanDerWaalsContact CZ-CZ 3.48Å; Y32-Y77 PolarHBondContact OH-OH 2.86Å; Y32-G127 CarbonylContact O-C 3.4Å; Y32-G127 VanDerWaalsContact O-CA 3.26Å; Y32-G127 WeakPolarHBondContact O-CA 3.33Å; Y32-L128 HydrophobicContact CD2-CD2 4.29Å; Y32-L128 PolarHBondContact N-O 2.83Å; Y32-L128 PolarHBondContact O-N 3.24Å |
| 33 | H | 95.1 | Very high | 89 | Confident | 54 Ų | 54 | 72 Ų | 72 | 25% | 0.25 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 146.5 | -175.4 | -57.8 | 101.2 | 0 | 0 | 0 | 111 | R125 I126 E129 D161 | H33-R125 HydrophobicContact CB-CG 4.42Å; H33-I126 WeakPolarHBondContact CA-O 3.39Å; H33-E129 IonicContact CD2-OE1 3.75Å; H33-E129 IonicContact NE2-OE1 2.82Å; H33-E129 PolarHBondContact NE2-OE1 3.06Å; H33-D161 IonicContact CE1-OD1 3.33Å; H33-D161 PolarHBondContact CE1-OD1 3.26Å; H33-D161 IonicContact ND1-OD1 2.99Å; H33-D161 PolarHBondContact ND1-OD1 3.42Å; H33-D161 IonicContact ND1-OD2 3.62Å |
| 34 | Y | 93.7 | Very high | 89.1 | Confident | 56 Ų | 56 | 67.9 Ų | 67.9 | 22% | 0.22 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 117.4 | 170.6 | -177.5 | -97 | 0 | 0 | 0 | 109.8 | Y36 F78 L80 L92 P94 R125 I126 | Y34-Y36 HydrophobicContact CD1-CD1 4.25Å; Y34-F78 HydrophobicContact CG-CD2 4.39Å; Y34-L80 HydrophobicContact CD1-CD2 3.75Å; Y34-L80 HydrophobicContact CD2-CD1 4.37Å; Y34-L80 HydrophobicContact CE1-CD1 4.16Å; Y34-L80 HydrophobicContact CE1-CD2 3.59Å; Y34-L80 HydrophobicContact CE2-CD1 3.74Å; Y34-L80 HydrophobicContact CE2-CD2 4.41Å; Y34-L80 HydrophobicContact CG-CD2 4.23Å; Y34-L92 VanDerWaalsContact OH-CB 3.27Å; Y34-L92 WeakPolarHBondContact OH-CB 3.24Å; Y34-P94 HydrophobicContact CD1-CB 4.31Å; Y34-P94 HydrophobicContact CD1-CG 4.18Å; Y34-R125 WeakPolarHBondContact O-CA 3.37Å; Y34-I126 HydrophobicContact CD1-CG2 4.41Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.85Å |
| 35 | E | 91.2 | Very high | 89.3 | Confident | 125 Ų | 125 | 69.5 Ų | 69.5 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.5 | 176.1 | -65.8 | -175.7 | 178.2 | 0 | 0 | 110 | R125 | E35-R125 HydrophobicContact CG-CG 4.39Å |
| 36 | Y | 86.1 | Confident | 89.4 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 12% | 0.118 | 33% | 0.327 | C | S | . | . | trans | -126.4 | 19.1 | -179.3 | 60.2 | -87.1 | 0 | 0 | 0 | 112.4 | Y34 K38 I91 P94 K121 Q122 G124 R125 I126 | Y34-Y36 HydrophobicContact CD1-CD1 4.25Å; Y36-K38 PolarHBondContact O-N 2.84Å; Y36-I91 WeakPolarHBondContact O-CD1 3.35Å; Y36-P94 HydrophobicContact CD1-CG 3.24Å; Y36-P94 HydrophobicContact CD2-CG 4.49Å; Y36-P94 HydrophobicContact CE1-CG 3.3Å; Y36-P94 VanDerWaalsContact CG-CD 3.41Å; Y36-P94 HydrophobicContact CG-CG 3.88Å; Y36-K121 WeakPolarHBondContact OH-CE 3.49Å; Y36-Q122 PolarHBondContact OH-O 3.21Å; Y36-G124 WeakPolarHBondContact CD1-O 3.14Å; Y36-G124 PolarHBondContact N-O 2.62Å; Y36-R125 VanDerWaalsContact CE1-CA 3.47Å; Y36-R125 VanDerWaalsContact CE1-N 3.26Å; Y36-I126 HydrophobicContact CE1-CB 4.36Å | ||
| 37 | S | 81.3 | Confident | 89.5 | Confident | 83 Ų | 83 | 69.3 Ų | 69.3 | 58% | 0.58 | 34% | 0.336 | S | S | * | . | trans | -71.1 | -19.9 | 171.2 | 54.4 | 0 | 0 | 0 | 0 | 113 | I39 G124 | S37-I39 PolarHBondContact O-N 2.8Å; S37-G124 PolarHBondContact N-O 2.98Å | ||
| 38 | K | 77.1 | Confident | 89.2 | Confident | 143 Ų | 143 | 72.1 Ų | 72.1 | 62% | 0.622 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -83.9 | 107.6 | -179 | -66.9 | -178 | -177.8 | 175.3 | 0 | 111.2 | Y36 Q40 | Y36-K38 PolarHBondContact O-N 2.84Å; K38-Q40 PolarHBondContact O-NE2 3.21Å |
| 39 | I | 81.4 | Confident | 88.9 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 46% | 0.462 | 35% | 0.346 | S | S | . | . | trans | -63.2 | 132.1 | 169.3 | -61 | -178.6 | 0 | 0 | 0 | 109.4 | S37 I41 I85 A89 | S37-I39 PolarHBondContact O-N 2.8Å; I39-I41 HydrophobicContact CG2-CG1 4.28Å; I39-I85 HydrophobicContact CB-CD1 4.08Å; I39-I85 HydrophobicContact CD1-CD1 3.99Å; I39-I85 HydrophobicContact CG1-CD1 3.62Å; I39-I85 HydrophobicContact CG2-CD1 3.67Å; I39-A89 HydrophobicContact CG2-CB 3.55Å | ||
| 40 | Q | 79.8 | Confident | 88.6 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 24% | 0.238 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 117.4 | -177.1 | -59 | -70.6 | -37.1 | 0 | 0 | 109.6 | K38 V44 Y59 V90 | K38-Q40 PolarHBondContact O-NE2 3.21Å; Q40-V44 VanDerWaalsContact O-CG2 3.29Å; Q40-V44 WeakPolarHBondContact O-CG2 2.85Å; Q40-Y59 HydrophobicContact CB-CD2 4.28Å; Q40-Y59 HydrophobicContact CB-CE2 3.92Å; Q40-Y59 HydrophobicContact CG-CD2 4.38Å; Q40-Y59 HydrophobicContact CG-CE2 3.68Å; Q40-V90 HydrophobicContact CB-CG2 3.96Å; Q40-V90 WeakPolarHBondContact CB-O 3.19Å; Q40-V90 PolarHBondContact N-O 2.91Å; Q40-V90 PolarHBondContact O-N 2.96Å; Q40-V90 VanDerWaalsContact O-N 3.09Å |
| 41 | I | 80.6 | Confident | 88 | Confident | 106 Ų | 106 | 89.1 Ų | 89.1 | 54% | 0.544 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -113 | -29.8 | 177.8 | -50.3 | 174.4 | 0 | 0 | 0 | 110.5 | I39 V44 A89 | I39-I41 HydrophobicContact CG2-CG1 4.28Å; I41-V44 WeakPolarHBondContact O-CG2 2.93Å; I41-A89 HydrophobicContact CG1-CB 4.42Å |
| 42 | E | 83 | Confident | 87.6 | Confident | 185 Ų | 185 | 95.5 Ų | 95.5 | 86% | 0.864 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -82.1 | -41.4 | -179.7 | -64.2 | 178.4 | 178.8 | 0 | 0 | 112.2 | V44 | E42-V44 PolarHBondContact O-N 3.27Å; E42-V44 VanDerWaalsContact O-N 3.13Å |
| 43 | R | 86.4 | Confident | 87 | Confident | 65 Ų | 65 | 100.2 Ų | 100.2 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -92.3 | 46 | -174.2 | -61.6 | -176.1 | 62.1 | 170.8 | 5.1 | 112.6 | Y59 V60 L61 D62 | R43-Y59 HydrophobicContact CB-CD2 4.23Å; R43-Y59 HydrophobicContact CB-CE2 3.57Å; R43-Y59 PolarHBondContact NE-OH 2.02Å; R43-Y59 VanDerWaalsContact NE-OH 3.13Å; R43-Y59 PolarHBondContact NH1-OH 2.76Å; R43-Y59 WeakPolarHBondContact O-CD2 3.41Å; R43-Y59 WeakPolarHBondContact O-CE2 3.32Å; R43-V60 PolarHBondContact NE-O 2.97Å; R43-V60 VanDerWaalsContact NE-O 3.16Å; R43-V60 PolarHBondContact NH2-O 3.18Å; R43-V60 PolarHBondContact O-N 3.29Å; R43-L61 PolarHBondContact NH2-O 3.46Å; R43-D62 IonicContact CZ-OD1 3.97Å; R43-D62 IonicContact CZ-OD2 2.76Å; R43-D62 VanDerWaalsContact NH1-CG 3.31Å; R43-D62 IonicContact NH1-OD1 2.98Å; R43-D62 PolarHBondContact NH1-OD1 3.07Å; R43-D62 IonicContact NH1-OD2 3.72Å; R43-D62 PolarHBondContact NH1-OD2 3.25Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.82Å; R43-D62 PolarHBondContact NH2-OD1 3.32Å; R43-D62 IonicContact NH2-OD2 2.64Å |
| 44 | V | 90.3 | Very high | 86.7 | Confident | 7 Ų | 7 | 100.1 Ų | 100.1 | 4% | 0.042 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.2 | -175.5 | 177 | 0 | 0 | 0 | 0 | 108.9 | Q40 I41 E42 W46 A56 V90 | Q40-V44 VanDerWaalsContact O-CG2 3.29Å; Q40-V44 WeakPolarHBondContact O-CG2 2.85Å; I41-V44 WeakPolarHBondContact O-CG2 2.93Å; E42-V44 PolarHBondContact O-N 3.27Å; E42-V44 VanDerWaalsContact O-N 3.13Å; V44-W46 HydrophobicContact CB-CZ2 4.09Å; V44-W46 HydrophobicContact CG1-CD2 4.04Å; V44-W46 HydrophobicContact CG1-CG 4.39Å; V44-W46 HydrophobicContact CG1-CZ2 3.96Å; V44-W46 PolarHBondContact O-NE1 2.8Å; V44-A56 HydrophobicContact CG1-CB 3.4Å; V44-A56 VanDerWaalsContact CG1-CB 3.4Å; V44-V90 HydrophobicContact CG1-CG1 4.09Å; V44-V90 HydrophobicContact CG2-CG1 4.2Å; V44-V90 HydrophobicContact CG2-CG2 3.92Å |
| 45 | Q | 91.2 | Very high | 86.6 | Confident | 41 Ų | 41 | 99.6 Ų | 99.6 | 19% | 0.192 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.4 | 166.9 | -170.1 | -169.9 | 4 | 0 | 0 | 107.7 | I57 G58 V60 N66 | Q45-I57 HydrophobicContact CB-CG1 4.1Å; Q45-I57 HydrophobicContact CG-CD1 3.95Å; Q45-I57 HydrophobicContact CG-CG1 3.76Å; Q45-I57 VanDerWaalsContact O-CG1 3.24Å; Q45-I57 WeakPolarHBondContact O-CG1 3.5Å; Q45-I57 PolarHBondContact O-N 3.42Å; Q45-G58 PolarHBondContact N-O 3.48Å; Q45-G58 PolarHBondContact O-N 2.96Å; Q45-V60 HydrophobicContact CB-CG2 4.1Å; Q45-N66 HydrophobicContact CG-CB 4.46Å |
| 46 | W | 91.1 | Very high | 86.6 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 140.9 | -175.3 | -68 | 93.8 | 0 | 0 | 0 | 111.9 | V44 Y48 R53 T88 | V44-W46 HydrophobicContact CB-CZ2 4.09Å; V44-W46 HydrophobicContact CG1-CD2 4.04Å; V44-W46 HydrophobicContact CG1-CG 4.39Å; V44-W46 HydrophobicContact CG1-CZ2 3.96Å; V44-W46 PolarHBondContact O-NE1 2.8Å; W46-Y48 HydrophobicContact CB-CD2 4.26Å; W46-Y48 HydrophobicContact CB-CE2 3.69Å; W46-Y48 WeakPolarHBondContact O-CD2 3.4Å; W46-R53 HydrophobicContact CB-CG 4.19Å; W46-R53 HydrophobicContact CD2-CB 4.1Å; W46-R53 HydrophobicContact CD2-CG 4.17Å; W46-R53 HydrophobicContact CE3-CB 3.93Å; W46-R53 HydrophobicContact CG-CB 4.37Å; W46-R53 HydrophobicContact CG-CG 4.01Å; W46-T88 HydrophobicContact CH2-CG2 4.07Å; W46-T88 HydrophobicContact CZ3-CG2 4.39Å |
| 47 | K | 91.7 | Very high | 87 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 40% | 0.404 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.6 | 158.3 | -167.8 | -176.3 | -175.5 | -161.4 | 0 | 108.6 | E49 T54 V55 I57 | K47-E49 VanDerWaalsContact CE-OE1 3.24Å; K47-E49 WeakPolarHBondContact CE-OE1 3.49Å; K47-E49 IonicContact NZ-OE1 2.68Å; K47-E49 PolarHBondContact NZ-OE1 2.85Å; K47-T54 PolarHBondContact O-N 3.24Å; K47-T54 PolarHBondContact O-OG1 3.43Å; K47-V55 HydrophobicContact CB-CG2 3.85Å; K47-V55 HydrophobicContact CD-CG2 4.05Å; K47-V55 PolarHBondContact N-O 3.41Å; K47-I57 HydrophobicContact CB-CG2 3.78Å |
| 48 | Y | 88.8 | Confident | 87.6 | Confident | 131 Ų | 131 | 91.3 Ų | 91.3 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 126.9 | 174.6 | -70.9 | -95.7 | 0 | 0 | 0 | 110.1 | W46 E52 R53 | W46-Y48 HydrophobicContact CB-CD2 4.26Å; W46-Y48 HydrophobicContact CB-CE2 3.69Å; W46-Y48 WeakPolarHBondContact O-CD2 3.4Å; Y48-E52 VanDerWaalsContact CA-O 3.29Å; Y48-E52 WeakPolarHBondContact CA-O 3.27Å; Y48-R53 HydrophobicContact CD1-CG 4.2Å; Y48-R53 HydrophobicContact CE1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CG 3.42Å; Y48-R53 VanDerWaalsContact CE1-CG 3.42Å; Y48-R53 PolarHBondContact OH-NE 2.84Å |
| 49 | E | 89 | Confident | 88.3 | Confident | 97 Ų | 97 | 85 Ų | 85 | 45% | 0.453 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.1 | 170 | -60.3 | -177.8 | 179.9 | 0 | 0 | 107.8 | K47 K51 E52 T54 | K47-E49 VanDerWaalsContact CE-OE1 3.24Å; K47-E49 WeakPolarHBondContact CE-OE1 3.49Å; K47-E49 IonicContact NZ-OE1 2.68Å; K47-E49 PolarHBondContact NZ-OE1 2.85Å; E49-K51 PolarHBondContact O-N 2.88Å; E49-K51 VanDerWaalsContact O-N 3.07Å; E49-E52 PolarHBondContact N-O 2.89Å; E49-E52 VanDerWaalsContact N-O 3.11Å; E49-E52 PolarHBondContact O-N 2.9Å; E49-T54 HydrophobicContact CB-CG2 3.75Å; E49-T54 HydrophobicContact CG-CG2 3.93Å |
| 50 | K | 90.5 | Very high | 88.9 | Confident | 205 Ų | 205 | 82.6 Ų | 82.6 | 89% | 0.891 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 34.1 | -175.7 | -57.9 | 179.4 | -179.9 | 176.1 | 0 | 114 | E52 | K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.81Å |
| 51 | K | 84.7 | Confident | 89.4 | Confident | 199 Ų | 199 | 80.8 Ų | 80.8 | 87% | 0.865 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 10.2 | -177.4 | -53.8 | 178.8 | 176.9 | 178.6 | 0 | 115.8 | E49 | E49-K51 PolarHBondContact O-N 2.88Å; E49-K51 VanDerWaalsContact O-N 3.07Å |
| 52 | E | 88.3 | Confident | 89.7 | Confident | 144 Ų | 144 | 82.7 Ų | 82.7 | 67% | 0.673 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.9 | 174.7 | -66.2 | -178.3 | 174.1 | 0 | 0 | 111.3 | Y48 E49 K50 T54 | Y48-E52 VanDerWaalsContact CA-O 3.29Å; Y48-E52 WeakPolarHBondContact CA-O 3.27Å; E49-E52 PolarHBondContact N-O 2.89Å; E49-E52 VanDerWaalsContact N-O 3.11Å; E49-E52 PolarHBondContact O-N 2.9Å; K50-E52 VanDerWaalsContact C-N 3.28Å; K50-E52 PolarHBondContact O-N 2.81Å; E52-T54 PolarHBondContact O-N 2.79Å |
| 53 | R | 84.9 | Confident | 90.1 | Very high | 163 Ų | 163 | 77.5 Ų | 77.5 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 118.5 | 174 | -69.2 | -179.6 | -177 | 175.7 | 3.4 | 108.5 | W46 Y48 | W46-R53 HydrophobicContact CB-CG 4.19Å; W46-R53 HydrophobicContact CD2-CB 4.1Å; W46-R53 HydrophobicContact CD2-CG 4.17Å; W46-R53 HydrophobicContact CE3-CB 3.93Å; W46-R53 HydrophobicContact CG-CB 4.37Å; W46-R53 HydrophobicContact CG-CG 4.01Å; Y48-R53 HydrophobicContact CD1-CG 4.2Å; Y48-R53 HydrophobicContact CE1-CB 4.44Å; Y48-R53 HydrophobicContact CE1-CG 3.42Å; Y48-R53 VanDerWaalsContact CE1-CG 3.42Å; Y48-R53 PolarHBondContact OH-NE 2.84Å |
| 54 | T | 89.6 | Confident | 90.2 | Very high | 52 Ų | 52 | 76.7 Ų | 76.7 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -60 | -178.3 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | K47 E49 E52 | K47-T54 PolarHBondContact O-N 3.24Å; K47-T54 PolarHBondContact O-OG1 3.43Å; E49-T54 HydrophobicContact CB-CG2 3.75Å; E49-T54 HydrophobicContact CG-CG2 3.93Å; E52-T54 PolarHBondContact O-N 2.79Å |
| 55 | V | 91.2 | Very high | 90.3 | Very high | 45 Ų | 45 | 82 Ų | 82 | 27% | 0.273 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 147.9 | -175.5 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | K47 I57 D87 | K47-V55 HydrophobicContact CB-CG2 3.85Å; K47-V55 HydrophobicContact CD-CG2 4.05Å; K47-V55 PolarHBondContact N-O 3.41Å; V55-I57 HydrophobicContact CG2-CG2 4.32Å; V55-D87 WeakPolarHBondContact CA-O 3.47Å; V55-D87 HydrophobicContact CG1-CB 4.35Å |
| 56 | A | 91.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 84.2 Ų | 84.2 | 2% | 0.017 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 134.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | V44 F69 D87 V90 | V44-A56 HydrophobicContact CG1-CB 3.4Å; V44-A56 VanDerWaalsContact CG1-CB 3.4Å; A56-F69 HydrophobicContact CB-CZ 3.98Å; A56-F69 WeakPolarHBondContact O-CE2 3.2Å; A56-D87 WeakPolarHBondContact CB-O 3.45Å; A56-D87 PolarHBondContact N-O 3.18Å; A56-V90 HydrophobicContact CB-CG1 3.86Å |
| 57 | I | 93.6 | Very high | 90.5 | Very high | 63 Ų | 63 | 83.1 Ų | 83.1 | 32% | 0.323 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | -8.5 | 175.8 | 56.1 | 170.2 | 0 | 0 | 0 | 113.4 | Q45 K47 V55 F69 | Q45-I57 HydrophobicContact CB-CG1 4.1Å; Q45-I57 HydrophobicContact CG-CD1 3.95Å; Q45-I57 HydrophobicContact CG-CG1 3.76Å; Q45-I57 VanDerWaalsContact O-CG1 3.24Å; Q45-I57 WeakPolarHBondContact O-CG1 3.5Å; Q45-I57 PolarHBondContact O-N 3.42Å; K47-I57 HydrophobicContact CB-CG2 3.78Å; V55-I57 HydrophobicContact CG2-CG2 4.32Å; I57-F69 VanDerWaalsContact C-CE2 3.41Å; I57-F69 VanDerWaalsContact CA-CE2 3.45Å; I57-F69 WeakPolarHBondContact O-CD2 3.37Å |
| 58 | G | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.6 | -168.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q45 L67 | Q45-G58 PolarHBondContact N-O 3.48Å; Q45-G58 PolarHBondContact O-N 2.96Å; G58-L67 CarbonylContact C-O 3.54Å; G58-L67 WeakPolarHBondContact CA-O 3.37Å |
| 59 | Y | 93.7 | Very high | 91 | Very high | 11 Ų | 11 | 78 Ų | 78 | 4% | 0.043 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.3 | 178.4 | -179.6 | -98.9 | 0 | 0 | 0 | 111.1 | Q40 R43 L61 L67 V90 L92 | Q40-Y59 HydrophobicContact CB-CD2 4.28Å; Q40-Y59 HydrophobicContact CB-CE2 3.92Å; Q40-Y59 HydrophobicContact CG-CD2 4.38Å; Q40-Y59 HydrophobicContact CG-CE2 3.68Å; R43-Y59 HydrophobicContact CB-CD2 4.23Å; R43-Y59 HydrophobicContact CB-CE2 3.57Å; R43-Y59 PolarHBondContact NE-OH 2.02Å; R43-Y59 VanDerWaalsContact NE-OH 3.13Å; R43-Y59 PolarHBondContact NH1-OH 2.76Å; R43-Y59 WeakPolarHBondContact O-CD2 3.41Å; R43-Y59 WeakPolarHBondContact O-CE2 3.32Å; Y59-L61 HydrophobicContact CD1-CD2 3.98Å; Y59-L61 HydrophobicContact CD1-CG 4.35Å; Y59-L61 HydrophobicContact CE1-CD2 3.94Å; Y59-L67 PolarHBondContact N-O 3Å; Y59-L67 PolarHBondContact O-N 2.95Å; Y59-V90 HydrophobicContact CD2-CG2 3.63Å; Y59-V90 HydrophobicContact CG-CG2 4.38Å; Y59-L92 HydrophobicContact CD1-CD1 3.81Å; Y59-L92 HydrophobicContact CD1-CD2 4Å; Y59-L92 HydrophobicContact CD1-CG 4.03Å; Y59-L92 HydrophobicContact CD2-CG 4.45Å; Y59-L92 HydrophobicContact CE1-CD1 3.49Å; Y59-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L92 HydrophobicContact CE1-CG 4.11Å; Y59-L92 HydrophobicContact CG-CD1 4.43Å; Y59-L92 HydrophobicContact CG-CD2 4.14Å; Y59-L92 HydrophobicContact CG-CG 4.18Å |
| 60 | V | 92.9 | Very high | 91.1 | Very high | 39 Ų | 39 | 75.7 Ų | 75.7 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 112.1 | 176.3 | -171.6 | 0 | 0 | 0 | 0 | 110.1 | R43 Q45 | R43-V60 PolarHBondContact NE-O 2.97Å; R43-V60 VanDerWaalsContact NE-O 3.16Å; R43-V60 PolarHBondContact NH2-O 3.18Å; R43-V60 PolarHBondContact O-N 3.29Å; Q45-V60 HydrophobicContact CB-CG2 4.1Å |
| 61 | L | 90.6 | Very high | 91.4 | Very high | 13 Ų | 13 | 70.2 Ų | 70.2 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | trans | -68.6 | 166.1 | 179.4 | -66.4 | 170.6 | 0 | 0 | 0 | 112.2 | R43 Y59 S63 G64 E65 Y73 | R43-L61 PolarHBondContact NH2-O 3.46Å; Y59-L61 HydrophobicContact CD1-CD2 3.98Å; Y59-L61 HydrophobicContact CD1-CG 4.35Å; Y59-L61 HydrophobicContact CE1-CD2 3.94Å; L61-S63 PolarHBondContact O-N 3.43Å; L61-G64 PolarHBondContact O-N 2.87Å; L61-E65 HydrophobicContact CB-CB 4.47Å; L61-E65 WeakPolarHBondContact CB-O 3.45Å; L61-E65 HydrophobicContact CD1-CB 4.09Å; L61-E65 PolarHBondContact N-O 3.21Å; L61-Y73 HydrophobicContact CD1-CD2 3.48Å; L61-Y73 VanDerWaalsContact CD1-CD2 3.48Å; L61-Y73 HydrophobicContact CD1-CE2 3.66Å; L61-Y73 HydrophobicContact CD1-CG 4.02Å; L61-Y73 HydrophobicContact CD2-CD1 3.76Å; L61-Y73 HydrophobicContact CD2-CD2 4.07Å; L61-Y73 HydrophobicContact CD2-CE1 3.91Å; L61-Y73 HydrophobicContact CD2-CE2 4.23Å; L61-Y73 HydrophobicContact CD2-CG 3.83Å; L61-Y73 HydrophobicContact CG-CD2 4.47Å | ||
| 62 | D | 87.8 | Confident | 91.8 | Very high | 145 Ų | 145 | 65.5 Ų | 65.5 | 78% | 0.775 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -24.8 | -178.6 | -74.9 | -45.3 | 0 | 0 | 0 | 111.4 | R43 G64 | R43-D62 IonicContact CZ-OD1 3.97Å; R43-D62 IonicContact CZ-OD2 2.76Å; R43-D62 VanDerWaalsContact NH1-CG 3.31Å; R43-D62 IonicContact NH1-OD1 2.98Å; R43-D62 PolarHBondContact NH1-OD1 3.07Å; R43-D62 IonicContact NH1-OD2 3.72Å; R43-D62 PolarHBondContact NH1-OD2 3.25Å; R43-D62 VanDerWaalsContact NH2-CA 3.28Å; R43-D62 IonicContact NH2-OD1 3.82Å; R43-D62 PolarHBondContact NH2-OD1 3.32Å; R43-D62 IonicContact NH2-OD2 2.64Å; D62-G64 PolarHBondContact O-N 3.43Å |
| 63 | S | 89.6 | Confident | 92.1 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 54% | 0.538 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -12.9 | 170.7 | 53 | 0 | 0 | 0 | 0 | 113.5 | L61 E65 | L61-S63 PolarHBondContact O-N 3.43Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.11Å; S63-E65 WeakPolarHBondContact OG-CG 3.27Å; S63-E65 PolarHBondContact OG-N 2.84Å; S63-E65 PolarHBondContact OG-OE2 2.91Å |
| 64 | G | 90.1 | Very high | 92.6 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 83.1 | -1.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L61 D62 | L61-G64 PolarHBondContact O-N 2.87Å; D62-G64 PolarHBondContact O-N 3.43Å |
| 65 | E | 91.7 | Very high | 92.7 | Very high | 118 Ų | 118 | 61.7 Ų | 61.7 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | trans | -70 | 144.4 | 174.6 | -67 | 170.2 | 148 | 0 | 0 | 111.3 | L61 S63 | L61-E65 HydrophobicContact CB-CB 4.47Å; L61-E65 WeakPolarHBondContact CB-O 3.45Å; L61-E65 HydrophobicContact CD1-CB 4.09Å; L61-E65 PolarHBondContact N-O 3.21Å; S63-E65 VanDerWaalsContact C-N 3.26Å; S63-E65 WeakPolarHBondContact OG-CB 3.11Å; S63-E65 WeakPolarHBondContact OG-CG 3.27Å; S63-E65 PolarHBondContact OG-N 2.84Å; S63-E65 PolarHBondContact OG-OE2 2.91Å | ||
| 66 | N | 93.5 | Very high | 92.8 | Very high | 88 Ų | 88 | 64.9 Ų | 64.9 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.1 | 179.2 | -66.1 | -50 | 0 | 0 | 0 | 110.5 | Q45 | Q45-N66 HydrophobicContact CG-CB 4.46Å |
| 67 | L | 93.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.063 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109.5 | 177.2 | -167.3 | 72.3 | 0 | 0 | 0 | 109.1 | G58 Y59 Q71 C82 L92 | G58-L67 CarbonylContact C-O 3.54Å; G58-L67 WeakPolarHBondContact CA-O 3.37Å; Y59-L67 PolarHBondContact N-O 3Å; Y59-L67 PolarHBondContact O-N 2.95Å; L67-Q71 HydrophobicContact CD1-CB 3.45Å; L67-Q71 VanDerWaalsContact CD1-CB 3.45Å; L67-Q71 HydrophobicContact CG-CB 3.9Å; L67-C82 HydrophobicContact CD2-CB 3.67Å; L67-C82 HydrophobicContact CG-CB 3.9Å; L67-L92 HydrophobicContact CD2-CD2 3.82Å |
| 68 | S | 95.2 | Very high | 93.2 | Very high | 52 Ų | 52 | 65.7 Ų | 65.7 | 36% | 0.364 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 156.1 | 175.5 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | G70 Q71 C82 | S68-G70 PolarHBondContact O-N 3.04Å; S68-Q71 VanDerWaalsContact O-CB 3.26Å; S68-Q71 WeakPolarHBondContact O-CB 3.01Å; S68-Q71 PolarHBondContact O-N 2.87Å; S68-C82 WeakPolarHBondContact O-CB 3.3Å |
| 69 | F | 94.3 | Very high | 93.3 | Very high | 65 Ų | 65 | 66 Ų | 66 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 137.6 | 174.3 | -62.3 | -48.1 | 0 | 0 | 0 | 112.7 | A56 I57 Q71 C82 K84 V90 | A56-F69 HydrophobicContact CB-CZ 3.98Å; A56-F69 WeakPolarHBondContact O-CE2 3.2Å; I57-F69 VanDerWaalsContact C-CE2 3.41Å; I57-F69 VanDerWaalsContact CA-CE2 3.45Å; I57-F69 WeakPolarHBondContact O-CD2 3.37Å; F69-Q71 PolarHBondContact O-N 2.98Å; F69-C82 WeakPolarHBondContact CA-O 3.11Å; F69-K84 HydrophobicContact CD1-CB 3.88Å; F69-K84 HydrophobicContact CD2-CB 4.22Å; F69-K84 HydrophobicContact CD2-CD 4.35Å; F69-K84 HydrophobicContact CE1-CB 3.67Å; F69-K84 HydrophobicContact CE1-CG 4.14Å; F69-K84 HydrophobicContact CE2-CB 3.98Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.97Å; F69-K84 HydrophobicContact CG-CB 4.18Å; F69-K84 HydrophobicContact CZ-CB 3.72Å; F69-K84 HydrophobicContact CZ-CD 4Å; F69-K84 HydrophobicContact CZ-CG 3.71Å; F69-V90 HydrophobicContact CE1-CB 4.15Å; F69-V90 HydrophobicContact CE1-CG1 3.49Å; F69-V90 VanDerWaalsContact CE1-CG1 3.49Å; F69-V90 HydrophobicContact CZ-CG1 3.76Å |
| 70 | G | 92.7 | Very high | 93.3 | Very high | 49 Ų | 49 | 65.7 Ų | 65.7 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -15.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | S68 C82 | S68-G70 PolarHBondContact O-N 3.04Å; G70-C82 PolarHBondContact N-O 2.72Å |
| 71 | Q | 95.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | trans | -69.3 | 148.1 | 175.2 | -66.9 | -175.5 | -28.4 | 0 | 0 | 111.3 | L67 S68 F69 R81 C82 | L67-Q71 HydrophobicContact CD1-CB 3.45Å; L67-Q71 VanDerWaalsContact CD1-CB 3.45Å; L67-Q71 HydrophobicContact CG-CB 3.9Å; S68-Q71 VanDerWaalsContact O-CB 3.26Å; S68-Q71 WeakPolarHBondContact O-CB 3.01Å; S68-Q71 PolarHBondContact O-N 2.87Å; F69-Q71 PolarHBondContact O-N 2.98Å; Q71-R81 WeakPolarHBondContact O-CA 3.48Å; Q71-C82 PolarHBondContact O-N 2.78Å | ||
| 72 | I | 94.7 | Very high | 93.6 | Very high | 100 Ų | 100 | 68.5 Ų | 68.5 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 128.7 | -179.5 | -59.4 | 174.2 | 0 | 0 | 0 | 108.7 | L79 L80 | I72-L79 HydrophobicContact CG2-CB 4.29Å; I72-L79 HydrophobicContact CG2-CD2 4.18Å; I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.41Å |
| 73 | Y | 93.9 | Very high | 93.9 | Very high | 80 Ų | 80 | 63.2 Ų | 63.2 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.2 | 170.7 | 173.3 | -113.3 | 0 | 0 | 0 | 110.3 | L61 L80 | L61-Y73 HydrophobicContact CD1-CD2 3.48Å; L61-Y73 VanDerWaalsContact CD1-CD2 3.48Å; L61-Y73 HydrophobicContact CD1-CE2 3.66Å; L61-Y73 HydrophobicContact CD1-CG 4.02Å; L61-Y73 HydrophobicContact CD2-CD1 3.76Å; L61-Y73 HydrophobicContact CD2-CD2 4.07Å; L61-Y73 HydrophobicContact CD2-CE1 3.91Å; L61-Y73 HydrophobicContact CD2-CE2 4.23Å; L61-Y73 HydrophobicContact CD2-CG 3.83Å; L61-Y73 HydrophobicContact CG-CD2 4.47Å; Y73-L80 HydrophobicContact CD1-CD1 4.2Å; Y73-L80 PolarHBondContact N-O 2.86Å; Y73-L80 PolarHBondContact O-N 3.1Å |
| 74 | R | 94.4 | Very high | 94 | Very high | 169 Ų | 169 | 64 Ų | 64 | 64% | 0.638 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 105 | 176 | -56.8 | -159 | 155.6 | 153.5 | -11.1 | 109.4 | L79 L98 E103 | R74-L79 HydrophobicContact CB-CD2 4.05Å; R74-L79 HydrophobicContact CG-CD2 3.46Å; R74-L79 VanDerWaalsContact CG-CD2 3.46Å; R74-L98 HydrophobicContact CB-CD1 4.41Å; R74-E103 IonicContact CZ-OE1 2.72Å; R74-E103 IonicContact NE-OE1 3.02Å; R74-E103 IonicContact NH2-OE1 3.9Å; R74-E103 PolarHBondContact NH2-OE1 3.09Å |
| 75 | S | 92.5 | Very high | 94 | Very high | 30 Ų | 30 | 65.1 Ų | 65.1 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | trans | -83.8 | -177.1 | 169.6 | 73.9 | 0 | 0 | 0 | 0 | 111.1 | Y77 F78 L98 | S75-Y77 VanDerWaalsContact C-N 3.29Å; S75-Y77 PolarHBondContact O-N 3.4Å; S75-F78 WeakPolarHBondContact CB-O 3.46Å; S75-F78 PolarHBondContact N-O 2.97Å; S75-F78 WeakPolarHBondContact OG-CA 3.43Å; S75-F78 PolarHBondContact OG-N 3.47Å; S75-F78 PolarHBondContact OG-O 3.37Å; S75-L98 VanDerWaalsContact O-CD1 3.25Å; S75-L98 WeakPolarHBondContact O-CD1 3.5Å | ||
| 76 | T | 93.9 | Very high | 94 | Very high | 112 Ų | 112 | 63 Ų | 63 | 69% | 0.687 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -59.9 | -36.5 | 176.5 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 77 | Y | 96.4 | Very high | 93.9 | Very high | 74 Ų | 74 | 63.3 Ų | 63.3 | 29% | 0.29 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -127.7 | -6.3 | -171.1 | -56.5 | -66.9 | 0 | 0 | 0 | 114.6 | Y32 S75 C97 L98 L128 | Y32-Y77 HydrophobicContact CD1-CD1 4.41Å; Y32-Y77 AromaticContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CD2 3.77Å; Y32-Y77 HydrophobicContact CD1-CE1 4.08Å; Y32-Y77 AromaticContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CE2 3.39Å; Y32-Y77 HydrophobicContact CD1-CG 4.26Å; Y32-Y77 AromaticContact CD1-CZ 3.56Å; Y32-Y77 AromaticContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD1 3.77Å; Y32-Y77 HydrophobicContact CD2-CD2 4.47Å; Y32-Y77 AromaticContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE1 3.73Å; Y32-Y77 HydrophobicContact CD2-CE2 4.45Å; Y32-Y77 HydrophobicContact CD2-CG 4.14Å; Y32-Y77 HydrophobicContact CE1-CD2 4.38Å; Y32-Y77 AromaticContact CE1-CE1 3.93Å; Y32-Y77 HydrophobicContact CE1-CE1 3.93Å; Y32-Y77 AromaticContact CE1-CE2 3.59Å; Y32-Y77 HydrophobicContact CE1-CE2 3.59Å; Y32-Y77 AromaticContact CE1-CZ 3.31Å; Y32-Y77 VanDerWaalsContact CE1-OH 3.24Å; Y32-Y77 WeakPolarHBondContact CE1-OH 3.33Å; Y32-Y77 HydrophobicContact CE2-CD1 4.08Å; Y32-Y77 AromaticContact CE2-CE1 3.56Å; Y32-Y77 HydrophobicContact CE2-CE1 3.56Å; Y32-Y77 AromaticContact CE2-CZ 3.88Å; Y32-Y77 AromaticContact CG-CD1 3.94Å; Y32-Y77 HydrophobicContact CG-CD1 3.94Å; Y32-Y77 AromaticContact CG-CD2 3.81Å; Y32-Y77 HydrophobicContact CG-CD2 3.81Å; Y32-Y77 AromaticContact CG-CE1 3.97Å; Y32-Y77 HydrophobicContact CG-CE1 3.97Å; Y32-Y77 AromaticContact CG-CE2 3.86Å; Y32-Y77 HydrophobicContact CG-CE2 3.86Å; Y32-Y77 AromaticContact CG-CG 3.85Å; Y32-Y77 HydrophobicContact CG-CG 3.85Å; Y32-Y77 AromaticContact CG-CZ 3.93Å; Y32-Y77 AromaticContact CZ-CE1 3.67Å; Y32-Y77 AromaticContact CZ-CZ 3.48Å; Y32-Y77 VanDerWaalsContact CZ-CZ 3.48Å; Y32-Y77 PolarHBondContact OH-OH 2.86Å; S75-Y77 VanDerWaalsContact C-N 3.29Å; S75-Y77 PolarHBondContact O-N 3.4Å; Y77-C97 CarbonylContact O-C 3.54Å; Y77-C97 WeakPolarHBondContact O-CA 3.34Å; Y77-L98 PolarHBondContact O-N 2.83Å; Y77-L128 HydrophobicContact CD1-CD2 4.2Å |
| 78 | F | 96.7 | Very high | 93.6 | Very high | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.035 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 147 | -173.2 | -52.3 | -74.7 | 0 | 0 | 0 | 112.5 | Y34 S75 L80 K96 I126 L128 | Y34-F78 HydrophobicContact CG-CD2 4.39Å; S75-F78 WeakPolarHBondContact CB-O 3.46Å; S75-F78 PolarHBondContact N-O 2.97Å; S75-F78 WeakPolarHBondContact OG-CA 3.43Å; S75-F78 PolarHBondContact OG-N 3.47Å; S75-F78 PolarHBondContact OG-O 3.37Å; F78-L80 HydrophobicContact CB-CD2 3.89Å; F78-L80 HydrophobicContact CB-CG 4.39Å; F78-K96 WeakPolarHBondContact CA-O 3.42Å; F78-I126 HydrophobicContact CD1-CG2 3.61Å; F78-I126 HydrophobicContact CE1-CG2 3.73Å; F78-I126 HydrophobicContact CG-CG2 4.3Å; F78-I126 HydrophobicContact CZ-CG2 4.47Å; F78-L128 HydrophobicContact CE1-CB 4.31Å |
| 79 | L | 96.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 63.7 Ų | 63.7 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 122.8 | 162.9 | -65.3 | 179.2 | 0 | 0 | 0 | 109.3 | I72 R74 P94 S95 K96 L98 E103 | I72-L79 HydrophobicContact CG2-CB 4.29Å; I72-L79 HydrophobicContact CG2-CD2 4.18Å; R74-L79 HydrophobicContact CB-CD2 4.05Å; R74-L79 HydrophobicContact CG-CD2 3.46Å; R74-L79 VanDerWaalsContact CG-CD2 3.46Å; L79-P94 WeakPolarHBondContact O-CA 3.33Å; L79-S95 WeakPolarHBondContact CB-OG 3.44Å; L79-S95 PolarHBondContact O-N 3.29Å; L79-S95 PolarHBondContact O-OG 3.38Å; L79-K96 HydrophobicContact CB-CB 4.22Å; L79-K96 HydrophobicContact CD1-CB 3.89Å; L79-K96 HydrophobicContact CD1-CD 3.92Å; L79-K96 HydrophobicContact CD1-CG 4.17Å; L79-K96 HydrophobicContact CG-CB 4.27Å; L79-K96 PolarHBondContact N-O 2.03Å; L79-L98 HydrophobicContact CD1-CD2 4.33Å; L79-L98 HydrophobicContact CD2-CD1 3.8Å; L79-L98 HydrophobicContact CD2-CD2 4.02Å; L79-L98 HydrophobicContact CD2-CG 4.18Å; L79-L98 HydrophobicContact CG-CD1 4.15Å; L79-L98 HydrophobicContact CG-CD2 3.91Å; L79-L98 HydrophobicContact CG-CG 4.03Å; L79-E103 HydrophobicContact CD1-CB 4.5Å; L79-E103 HydrophobicContact CD1-CG 3.91Å; L79-E103 WeakPolarHBondContact CD1-OE1 2.99Å |
| 80 | L | 94.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.9 | -176.6 | -53.8 | -179.3 | 0 | 0 | 0 | 109.3 | Y34 I72 Y73 F78 L92 P94 | Y34-L80 HydrophobicContact CD1-CD2 3.75Å; Y34-L80 HydrophobicContact CD2-CD1 4.37Å; Y34-L80 HydrophobicContact CE1-CD1 4.16Å; Y34-L80 HydrophobicContact CE1-CD2 3.59Å; Y34-L80 HydrophobicContact CE2-CD1 3.74Å; Y34-L80 HydrophobicContact CE2-CD2 4.41Å; Y34-L80 HydrophobicContact CG-CD2 4.23Å; I72-L80 CarbonylContact C-O 3.57Å; I72-L80 WeakPolarHBondContact CA-O 3.41Å; Y73-L80 HydrophobicContact CD1-CD1 4.2Å; Y73-L80 PolarHBondContact N-O 2.86Å; Y73-L80 PolarHBondContact O-N 3.1Å; F78-L80 HydrophobicContact CB-CD2 3.89Å; F78-L80 HydrophobicContact CB-CG 4.39Å; L80-L92 HydrophobicContact CB-CB 4.39Å; L80-L92 HydrophobicContact CD1-CD1 4.12Å; L80-P94 HydrophobicContact CD2-CB 3.73Å |
| 81 | R | 94.6 | Very high | 93.3 | Very high | 111 Ų | 111 | 59.6 Ų | 59.6 | 42% | 0.419 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 135.5 | 175 | -170.1 | 179.6 | 67.1 | -162.2 | -4.9 | 110.2 | Q71 D83 L92 T93 | Q71-R81 WeakPolarHBondContact O-CA 3.48Å; R81-D83 IonicContact CZ-OD1 2.74Å; R81-D83 IonicContact CZ-OD2 3.45Å; R81-D83 IonicContact NE-OD1 3.24Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 2.95Å; R81-D83 PolarHBondContact NE-OD2 2.76Å; R81-D83 IonicContact NH2-OD1 2.69Å; R81-D83 PolarHBondContact NH2-OD1 3.49Å; R81-D83 IonicContact NH2-OD2 3.37Å; R81-D83 PolarHBondContact NH2-OD2 2.82Å; R81-D83 PolarHBondContact O-N 2.64Å; R81-L92 WeakPolarHBondContact O-CA 3.04Å; R81-T93 PolarHBondContact N-O 3.36Å; R81-T93 PolarHBondContact O-N 2.72Å |
| 82 | C | 93.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 111.2 | 173.1 | -168.1 | 0 | 0 | 0 | 0 | 110.5 | L67 S68 F69 G70 Q71 L92 | L67-C82 HydrophobicContact CD2-CB 3.67Å; L67-C82 HydrophobicContact CG-CB 3.9Å; S68-C82 WeakPolarHBondContact O-CB 3.3Å; F69-C82 WeakPolarHBondContact CA-O 3.11Å; G70-C82 PolarHBondContact N-O 2.72Å; Q71-C82 PolarHBondContact O-N 2.78Å; C82-L92 HydrophobicContact CB-CD2 4.34Å |
| 83 | D | 93.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 140.8 | 177.3 | -68.2 | -29.7 | 0 | 0 | 0 | 110.5 | R81 I91 T93 | R81-D83 IonicContact CZ-OD1 2.74Å; R81-D83 IonicContact CZ-OD2 3.45Å; R81-D83 IonicContact NE-OD1 3.24Å; R81-D83 PolarHBondContact NE-OD1 2.89Å; R81-D83 IonicContact NE-OD2 2.95Å; R81-D83 PolarHBondContact NE-OD2 2.76Å; R81-D83 IonicContact NH2-OD1 2.69Å; R81-D83 PolarHBondContact NH2-OD1 3.49Å; R81-D83 IonicContact NH2-OD2 3.37Å; R81-D83 PolarHBondContact NH2-OD2 2.82Å; R81-D83 PolarHBondContact O-N 2.64Å; D83-I91 HydrophobicContact CB-CG2 3.83Å; D83-I91 PolarHBondContact N-O 3.38Å; D83-I91 PolarHBondContact O-N 2.78Å; D83-T93 WeakPolarHBondContact OD2-CB 3.47Å; D83-T93 PolarHBondContact OD2-OG1 2.83Å |
| 84 | K | 93.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 126.5 | 173.2 | -172.6 | 177.3 | 179.7 | 179.8 | 0 | 108.9 | F69 N86 D87 | F69-K84 HydrophobicContact CD1-CB 3.88Å; F69-K84 HydrophobicContact CD2-CB 4.22Å; F69-K84 HydrophobicContact CD2-CD 4.35Å; F69-K84 HydrophobicContact CE1-CB 3.67Å; F69-K84 HydrophobicContact CE1-CG 4.14Å; F69-K84 HydrophobicContact CE2-CB 3.98Å; F69-K84 HydrophobicContact CE2-CD 3.74Å; F69-K84 HydrophobicContact CE2-CG 3.97Å; F69-K84 HydrophobicContact CG-CB 4.18Å; F69-K84 HydrophobicContact CZ-CB 3.72Å; F69-K84 HydrophobicContact CZ-CD 4Å; F69-K84 HydrophobicContact CZ-CG 3.71Å; K84-N86 VanDerWaalsContact CE-C 3.47Å; K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.27Å; K84-N86 WeakPolarHBondContact CG-O 3.4Å; K84-D87 VanDerWaalsContact CE-OD1 3.31Å; K84-D87 WeakPolarHBondContact CE-OD1 3.17Å; K84-D87 IonicContact NZ-OD1 3.63Å; K84-D87 PolarHBondContact NZ-OD1 2.96Å |
| 85 | I | 90.5 | Very high | 92.8 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 36% | 0.364 | 22% | 0.222 | S | C | . | . | trans | -87.3 | -52.2 | 171.2 | -69.4 | 170 | 0 | 0 | 0 | 109.5 | I39 A89 I91 | I39-I85 HydrophobicContact CB-CD1 4.08Å; I39-I85 HydrophobicContact CD1-CD1 3.99Å; I39-I85 HydrophobicContact CG1-CD1 3.62Å; I39-I85 HydrophobicContact CG2-CD1 3.67Å; I85-A89 HydrophobicContact CB-CB 4.31Å; I85-A89 PolarHBondContact N-O 3.02Å; I85-I91 HydrophobicContact CD1-CB 3.58Å; I85-I91 HydrophobicContact CD1-CD1 4.31Å; I85-I91 HydrophobicContact CD1-CG2 3.77Å; I85-I91 HydrophobicContact CG1-CB 4.02Å; I85-I91 HydrophobicContact CG1-CG2 3.63Å | ||
| 86 | N | 91.1 | Very high | 93.1 | Very high | 74 Ų | 74 | 43.3 Ų | 43.3 | 40% | 0.396 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -153.7 | -169.4 | 178.1 | 62.3 | 35.6 | 0 | 0 | 0 | 108.9 | K84 T88 A89 | K84-N86 VanDerWaalsContact CE-C 3.47Å; K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.27Å; K84-N86 WeakPolarHBondContact CG-O 3.4Å; N86-T88 PolarHBondContact O-N 2.9Å; N86-T88 PolarHBondContact OD1-N 3.05Å; N86-T88 PolarHBondContact OD1-OG1 3.36Å; N86-T88 VanDerWaalsContact OD1-OG1 3.11Å; N86-A89 PolarHBondContact N-O 2.82Å; N86-A89 VanDerWaalsContact OD1-CB 3.25Å; N86-A89 WeakPolarHBondContact OD1-CB 3.31Å; N86-A89 PolarHBondContact OD1-N 3.42Å |
| 87 | D | 90.3 | Very high | 93.3 | Very high | 94 Ų | 94 | 38 Ų | 38 | 50% | 0.503 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -68.3 | -14 | -176.6 | -67 | -31.7 | 0 | 0 | 0 | 114.8 | V55 A56 K84 | V55-D87 WeakPolarHBondContact CA-O 3.47Å; V55-D87 HydrophobicContact CG1-CB 4.35Å; A56-D87 WeakPolarHBondContact CB-O 3.45Å; A56-D87 PolarHBondContact N-O 3.18Å; K84-D87 VanDerWaalsContact CE-OD1 3.31Å; K84-D87 WeakPolarHBondContact CE-OD1 3.17Å; K84-D87 IonicContact NZ-OD1 3.63Å; K84-D87 PolarHBondContact NZ-OD1 2.96Å |
| 88 | T | 89 | Confident | 93.3 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 43% | 0.429 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -121.1 | -7.1 | -176.5 | 59.7 | 0 | 0 | 0 | 0 | 114 | W46 N86 | W46-T88 HydrophobicContact CH2-CG2 4.07Å; W46-T88 HydrophobicContact CZ3-CG2 4.39Å; N86-T88 PolarHBondContact O-N 2.9Å; N86-T88 PolarHBondContact OD1-N 3.05Å; N86-T88 PolarHBondContact OD1-OG1 3.36Å; N86-T88 VanDerWaalsContact OD1-OG1 3.11Å |
| 89 | A | 90.4 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | trans | -136.7 | 141.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I39 I41 I85 N86 | I39-A89 HydrophobicContact CG2-CB 3.55Å; I41-A89 HydrophobicContact CG1-CB 4.42Å; I85-A89 HydrophobicContact CB-CB 4.31Å; I85-A89 PolarHBondContact N-O 3.02Å; N86-A89 PolarHBondContact N-O 2.82Å; N86-A89 VanDerWaalsContact OD1-CB 3.25Å; N86-A89 WeakPolarHBondContact OD1-CB 3.31Å; N86-A89 PolarHBondContact OD1-N 3.42Å | ||
| 90 | V | 92.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.2 | -178.6 | -49 | 0 | 0 | 0 | 0 | 110.3 | Q40 V44 A56 Y59 F69 | Q40-V90 HydrophobicContact CB-CG2 3.96Å; Q40-V90 WeakPolarHBondContact CB-O 3.19Å; Q40-V90 PolarHBondContact N-O 2.91Å; Q40-V90 PolarHBondContact O-N 2.96Å; Q40-V90 VanDerWaalsContact O-N 3.09Å; V44-V90 HydrophobicContact CG1-CG1 4.09Å; V44-V90 HydrophobicContact CG2-CG1 4.2Å; V44-V90 HydrophobicContact CG2-CG2 3.92Å; A56-V90 HydrophobicContact CB-CG1 3.86Å; Y59-V90 HydrophobicContact CD2-CG2 3.63Å; Y59-V90 HydrophobicContact CG-CG2 4.38Å; F69-V90 HydrophobicContact CE1-CB 4.15Å; F69-V90 HydrophobicContact CE1-CG1 3.49Å; F69-V90 VanDerWaalsContact CE1-CG1 3.49Å; F69-V90 HydrophobicContact CZ-CG1 3.76Å |
| 91 | I | 91.7 | Very high | 93.1 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 14% | 0.144 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 141.1 | 176.9 | -172.4 | 167.5 | 0 | 0 | 0 | 110.2 | Y36 D83 I85 | Y36-I91 WeakPolarHBondContact O-CD1 3.35Å; D83-I91 HydrophobicContact CB-CG2 3.83Å; D83-I91 PolarHBondContact N-O 3.38Å; D83-I91 PolarHBondContact O-N 2.78Å; I85-I91 HydrophobicContact CD1-CB 3.58Å; I85-I91 HydrophobicContact CD1-CD1 4.31Å; I85-I91 HydrophobicContact CD1-CG2 3.77Å; I85-I91 HydrophobicContact CG1-CB 4.02Å; I85-I91 HydrophobicContact CG1-CG2 3.63Å |
| 92 | L | 91.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 100.6 | 167.6 | -72.9 | -175.2 | 0 | 0 | 0 | 108.4 | Y34 Y59 L67 L80 R81 C82 P94 | Y34-L92 VanDerWaalsContact OH-CB 3.27Å; Y34-L92 WeakPolarHBondContact OH-CB 3.24Å; Y59-L92 HydrophobicContact CD1-CD1 3.81Å; Y59-L92 HydrophobicContact CD1-CD2 4Å; Y59-L92 HydrophobicContact CD1-CG 4.03Å; Y59-L92 HydrophobicContact CD2-CG 4.45Å; Y59-L92 HydrophobicContact CE1-CD1 3.49Å; Y59-L92 VanDerWaalsContact CE1-CD1 3.49Å; Y59-L92 HydrophobicContact CE1-CG 4.11Å; Y59-L92 HydrophobicContact CG-CD1 4.43Å; Y59-L92 HydrophobicContact CG-CD2 4.14Å; Y59-L92 HydrophobicContact CG-CG 4.18Å; L67-L92 HydrophobicContact CD2-CD2 3.82Å; L80-L92 HydrophobicContact CB-CB 4.39Å; L80-L92 HydrophobicContact CD1-CD1 4.12Å; R81-L92 WeakPolarHBondContact O-CA 3.04Å; C82-L92 HydrophobicContact CB-CD2 4.34Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å |
| 93 | T | 91.8 | Very high | 93.4 | Very high | 30 Ų | 30 | 49.7 Ų | 49.7 | 18% | 0.184 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 120.8 | 178.7 | -53.8 | 0 | 0 | 0 | 0 | 109.3 | R81 D83 | R81-T93 PolarHBondContact N-O 3.36Å; R81-T93 PolarHBondContact O-N 2.72Å; D83-T93 WeakPolarHBondContact OD2-CB 3.47Å; D83-T93 PolarHBondContact OD2-OG1 2.83Å |
| 94 | P | 92.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.013 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 133.4 | 173.4 | 28.9 | -33.1 | 0 | 0 | 0 | 111.1 | Y34 Y36 L79 L80 L92 I126 | Y34-P94 HydrophobicContact CD1-CB 4.31Å; Y34-P94 HydrophobicContact CD1-CG 4.18Å; Y36-P94 HydrophobicContact CD1-CG 3.24Å; Y36-P94 HydrophobicContact CD2-CG 4.49Å; Y36-P94 HydrophobicContact CE1-CG 3.3Å; Y36-P94 VanDerWaalsContact CG-CD 3.41Å; Y36-P94 HydrophobicContact CG-CG 3.88Å; L79-P94 WeakPolarHBondContact O-CA 3.33Å; L80-P94 HydrophobicContact CD2-CB 3.73Å; L92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-I126 HydrophobicContact CB-CB 4.02Å; P94-I126 HydrophobicContact CB-CD1 3.92Å; P94-I126 HydrophobicContact CB-CG2 3.4Å; P94-I126 HydrophobicContact CG-CB 3.85Å; P94-I126 HydrophobicContact CG-CD1 4.41Å; P94-I126 HydrophobicContact CG-CG2 3.52Å |
| 95 | S | 93.5 | Very high | 93.8 | Very high | 41 Ų | 41 | 47.5 Ų | 47.5 | 29% | 0.287 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -41.4 | 176.9 | 57.5 | 0 | 0 | 0 | 0 | 112.5 | L79 | L79-S95 WeakPolarHBondContact CB-OG 3.44Å; L79-S95 PolarHBondContact O-N 3.29Å; L79-S95 PolarHBondContact O-OG 3.38Å |
| 96 | K | 97.2 | Very high | 94.1 | Very high | 46 Ų | 46 | 48 Ų | 48 | 20% | 0.2 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 162.4 | -174.6 | -57.1 | -168.8 | -165.8 | -173.5 | 0 | 112 | F78 L79 E103 L104 E105 | F78-K96 WeakPolarHBondContact CA-O 3.42Å; L79-K96 HydrophobicContact CB-CB 4.22Å; L79-K96 HydrophobicContact CD1-CB 3.89Å; L79-K96 HydrophobicContact CD1-CD 3.92Å; L79-K96 HydrophobicContact CD1-CG 4.17Å; L79-K96 HydrophobicContact CG-CB 4.27Å; L79-K96 PolarHBondContact N-O 2.03Å; K96-E103 HydrophobicContact CD-CB 4.02Å; K96-E103 IonicContact NZ-OE2 2.68Å; K96-E103 PolarHBondContact NZ-OE2 2.91Å; K96-L104 WeakPolarHBondContact CB-O 3.47Å; K96-E105 WeakPolarHBondContact CE-OE1 3.22Å; K96-E105 WeakPolarHBondContact CE-OE2 3.16Å; K96-E105 IonicContact NZ-OE1 3.66Å; K96-E105 PolarHBondContact NZ-OE1 2.81Å |
| 97 | C | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 157.4 | 166.4 | -54 | 0 | 0 | 0 | 0 | 110.9 | Y77 E103 L104 C119 L128 | Y77-C97 CarbonylContact O-C 3.54Å; Y77-C97 WeakPolarHBondContact O-CA 3.34Å; C97-E103 WeakPolarHBondContact O-CA 3.06Å; C97-L104 HydrophobicContact CB-CB 4.32Å; C97-L104 PolarHBondContact N-O 3.5Å; C97-L104 PolarHBondContact O-N 2.97Å; C97-C119 HydrophobicContact CB-CB 3.62Å; C97-C119 WeakPolarHBondContact CB-SG 3.3Å; C97-C119 PolarHBondContact N-SG 3.34Å; C97-C119 WeakPolarHBondContact SG-CA 3.45Å; C97-C119 WeakPolarHBondContact SG-CB 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.28Å; C97-L128 HydrophobicContact CB-CB 4.32Å; C97-L128 HydrophobicContact CB-CD1 3.95Å |
| 98 | L | 97.5 | Very high | 94.7 | Very high | 14 Ų | 14 | 46.3 Ų | 46.3 | 7% | 0.073 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 126.9 | 176.3 | -66.1 | 173.6 | 0 | 0 | 0 | 109.6 | R74 S75 Y77 L79 K102 E103 L128 | R74-L98 HydrophobicContact CB-CD1 4.41Å; S75-L98 VanDerWaalsContact O-CD1 3.25Å; S75-L98 WeakPolarHBondContact O-CD1 3.5Å; Y77-L98 PolarHBondContact O-N 2.83Å; L79-L98 HydrophobicContact CD1-CD2 4.33Å; L79-L98 HydrophobicContact CD2-CD1 3.8Å; L79-L98 HydrophobicContact CD2-CD2 4.02Å; L79-L98 HydrophobicContact CD2-CG 4.18Å; L79-L98 HydrophobicContact CG-CD1 4.15Å; L79-L98 HydrophobicContact CG-CD2 3.91Å; L79-L98 HydrophobicContact CG-CG 4.03Å; L98-K102 WeakPolarHBondContact CA-O 3.41Å; L98-E103 HydrophobicContact CD2-CB 4.34Å; L98-E103 HydrophobicContact CD2-CG 3.74Å; L98-L128 WeakPolarHBondContact O-CD2 3.23Å |
| 99 | L | 96.9 | Very high | 95.1 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 117 | 174.5 | -177.9 | 57.9 | 0 | 0 | 0 | 110 | G101 K102 L104 L110 Y117 L128 | L99-G101 PolarHBondContact O-N 3.46Å; L99-K102 PolarHBondContact N-O 3Å; L99-K102 WeakPolarHBondContact O-CB 3.33Å; L99-K102 PolarHBondContact O-N 3.18Å; L99-L104 HydrophobicContact CB-CD1 4.15Å; L99-L110 HydrophobicContact CB-CD2 4.18Å; L99-L110 HydrophobicContact CD2-CB 4.24Å; L99-L110 HydrophobicContact CD2-CD2 4.06Å; L99-L110 HydrophobicContact CD2-CG 4.36Å; L99-L110 HydrophobicContact CG-CD2 4.23Å; L99-Y117 HydrophobicContact CD2-CD1 4.46Å; L99-Y117 HydrophobicContact CD2-CD2 3.62Å; L99-Y117 HydrophobicContact CD2-CE2 4.44Å; L99-Y117 HydrophobicContact CD2-CG 3.62Å; L99-L128 HydrophobicContact CB-CD1 4.44Å; L99-L128 HydrophobicContact CB-CD2 4.13Å; L99-L128 HydrophobicContact CD1-CD2 4.16Å |
| 100 | K | 93.5 | Very high | 95.4 | Very high | 170 Ų | 170 | 50.1 Ų | 50.1 | 74% | 0.739 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40.6 | -177.1 | -67 | 177.8 | 165.7 | 166.9 | 0 | 113 | K102 S112 | K100-K102 VanDerWaalsContact C-N 3.26Å; K100-K102 PolarHBondContact O-N 3.17Å; K100-S112 WeakPolarHBondContact CE-OG 3.24Å; K100-S112 PolarHBondContact NZ-OG 2.05Å |
| 101 | G | 92.3 | Very high | 95.6 | Very high | 76 Ų | 76 | 54.8 Ų | 54.8 | 78% | 0.784 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | -5.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | L99 | L99-G101 PolarHBondContact O-N 3.46Š|
| 102 | K | 96.5 | Very high | 95.8 | Very high | 112 Ų | 112 | 54.3 Ų | 54.3 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.4 | 174.6 | -175.2 | 171.5 | 174.5 | -172.5 | 0 | 110.8 | L98 L99 K100 L110 | L98-K102 WeakPolarHBondContact CA-O 3.41Å; L99-K102 PolarHBondContact N-O 3Å; L99-K102 WeakPolarHBondContact O-CB 3.33Å; L99-K102 PolarHBondContact O-N 3.18Å; K100-K102 VanDerWaalsContact C-N 3.26Å; K100-K102 PolarHBondContact O-N 3.17Å; K102-L110 HydrophobicContact CB-CD2 4.12Å; K102-L110 HydrophobicContact CD-CD1 4.09Å; K102-L110 HydrophobicContact CD-CD2 3.85Å; K102-L110 HydrophobicContact CG-CD2 4.34Å |
| 103 | E | 97.1 | Very high | 96 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 136.6 | 171.5 | -53.2 | -171.3 | 176 | 0 | 0 | 110.2 | R74 L79 K96 C97 L98 | R74-E103 IonicContact CZ-OE1 2.72Å; R74-E103 IonicContact NE-OE1 3.02Å; R74-E103 IonicContact NH2-OE1 3.9Å; R74-E103 PolarHBondContact NH2-OE1 3.09Å; L79-E103 HydrophobicContact CD1-CB 4.5Å; L79-E103 HydrophobicContact CD1-CG 3.91Å; L79-E103 WeakPolarHBondContact CD1-OE1 2.99Å; K96-E103 HydrophobicContact CD-CB 4.02Å; K96-E103 IonicContact NZ-OE2 2.68Å; K96-E103 PolarHBondContact NZ-OE2 2.91Å; C97-E103 WeakPolarHBondContact O-CA 3.06Å; L98-E103 HydrophobicContact CD2-CB 4.34Å; L98-E103 HydrophobicContact CD2-CG 3.74Å |
| 104 | L | 98 | Very high | 96.2 | Very high | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123 | 176.3 | -62.4 | 171.3 | 0 | 0 | 0 | 109.5 | K96 C97 L99 E108 L110 C119 L128 | K96-L104 WeakPolarHBondContact CB-O 3.47Å; C97-L104 HydrophobicContact CB-CB 4.32Å; C97-L104 PolarHBondContact N-O 3.5Å; C97-L104 PolarHBondContact O-N 2.97Å; L99-L104 HydrophobicContact CB-CD1 4.15Å; L104-E108 WeakPolarHBondContact CA-OE2 3.41Å; L104-E108 HydrophobicContact CB-CB 4.32Å; L104-E108 HydrophobicContact CD2-CB 4.26Å; L104-L110 HydrophobicContact CD1-CB 3.92Å; L104-L110 HydrophobicContact CD2-CB 3.75Å; L104-L110 HydrophobicContact CD2-CD2 4.27Å; L104-L110 HydrophobicContact CG-CB 4.45Å; L104-C119 HydrophobicContact CB-CB 4.06Å; L104-L128 HydrophobicContact CD1-CD1 3.98Å |
| 105 | E | 97.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 58.8 Ų | 58.8 | 38% | 0.383 | 32% | 0.321 | S | S | . | . | trans | -66 | 157.8 | 169.5 | -57.1 | -61.3 | 160 | 0 | 0 | 110.4 | K96 G107 E108 C119 | K96-E105 WeakPolarHBondContact CE-OE1 3.22Å; K96-E105 WeakPolarHBondContact CE-OE2 3.16Å; K96-E105 IonicContact NZ-OE1 3.66Å; K96-E105 PolarHBondContact NZ-OE1 2.81Å; E105-G107 PolarHBondContact O-N 2.88Å; E105-E108 HydrophobicContact CB-CG 3.86Å; E105-E108 PolarHBondContact N-OE2 3.06Å; E105-E108 VanDerWaalsContact O-CB 3.3Å; E105-E108 WeakPolarHBondContact O-CB 3.01Å; E105-E108 PolarHBondContact O-N 3.37Å; E105-C119 WeakPolarHBondContact O-CB 3.46Å | ||
| 106 | I | 96.3 | Very high | 96.7 | Very high | 81 Ų | 81 | 57.7 Ų | 57.7 | 42% | 0.415 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 125.7 | 176.4 | -61.9 | 162.5 | 0 | 0 | 0 | 109 | K121 I126 | I106-K121 HydrophobicContact CD1-CB 4.15Å; I106-K121 HydrophobicContact CD1-CD 3.66Å; I106-K121 HydrophobicContact CG1-CB 4.4Å; I106-K121 HydrophobicContact CG2-CB 3.86Å; I106-I126 HydrophobicContact CG1-CD1 4.42Å |
| 107 | G | 96.6 | Very high | 96.8 | Very high | 46 Ų | 46 | 55.8 Ų | 55.8 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -15.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | E105 C119 | E105-G107 PolarHBondContact O-N 2.88Å; G107-C119 PolarHBondContact N-O 3.31Å |
| 108 | E | 98 | Very high | 96.8 | Very high | 88 Ų | 88 | 56 Ų | 56 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | trans | -73 | 150 | 176.9 | -71.6 | -174.4 | 162.1 | 0 | 0 | 112.3 | L104 E105 T118 C119 | L104-E108 WeakPolarHBondContact CA-OE2 3.41Å; L104-E108 HydrophobicContact CB-CB 4.32Å; L104-E108 HydrophobicContact CD2-CB 4.26Å; E105-E108 HydrophobicContact CB-CG 3.86Å; E105-E108 PolarHBondContact N-OE2 3.06Å; E105-E108 VanDerWaalsContact O-CB 3.3Å; E105-E108 WeakPolarHBondContact O-CB 3.01Å; E105-E108 PolarHBondContact O-N 3.37Å; E108-T118 WeakPolarHBondContact O-CA 3.48Å; E108-C119 PolarHBondContact O-N 3.09Å | ||
| 109 | Q | 97 | Very high | 96.8 | Very high | 113 Ų | 113 | 55.4 Ų | 55.4 | 53% | 0.528 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 146 | 179.8 | -50.1 | -169.8 | 16.6 | 0 | 0 | 111.2 | M116 Y117 T118 | Q109-M116 HydrophobicContact CB-CG 4.3Å; Q109-M116 HydrophobicContact CB-SD 3.85Å; Q109-Y117 CarbonylContact C-O 3.59Å; Q109-Y117 WeakPolarHBondContact CA-O 3.47Å; Q109-T118 HydrophobicContact CG-CG2 3.89Å; Q109-T118 WeakPolarHBondContact CG-OG1 3.49Å |
| 110 | L | 97.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 57.2 Ų | 57.2 | 20% | 0.199 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 127.6 | 174.4 | -173.5 | 66.7 | 0 | 0 | 0 | 110.7 | L99 K102 L104 Y117 | L99-L110 HydrophobicContact CB-CD2 4.18Å; L99-L110 HydrophobicContact CD2-CB 4.24Å; L99-L110 HydrophobicContact CD2-CD2 4.06Å; L99-L110 HydrophobicContact CD2-CG 4.36Å; L99-L110 HydrophobicContact CG-CD2 4.23Å; K102-L110 HydrophobicContact CB-CD2 4.12Å; K102-L110 HydrophobicContact CD-CD1 4.09Å; K102-L110 HydrophobicContact CD-CD2 3.85Å; K102-L110 HydrophobicContact CG-CD2 4.34Å; L104-L110 HydrophobicContact CD1-CB 3.92Å; L104-L110 HydrophobicContact CD2-CB 3.75Å; L104-L110 HydrophobicContact CD2-CD2 4.27Å; L104-L110 HydrophobicContact CG-CB 4.45Å; L110-Y117 PolarHBondContact N-O 3.03Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.86Å |
| 111 | Q | 96.5 | Very high | 96.9 | Very high | 98 Ų | 98 | 54 Ų | 54 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 130.7 | 170.5 | 178.5 | 179.8 | -13.3 | 0 | 0 | 110 | G113 M116 V134 | Q111-G113 PolarHBondContact NE2-O 2.84Å; Q111-M116 HydrophobicContact CB-CE 3.96Å; Q111-M116 HydrophobicContact CB-SD 4.26Å; Q111-M116 PolarHBondContact N-SD 3.15Å; Q111-M116 VanDerWaalsContact N-SD 3.43Å; Q111-V134 HydrophobicContact CG-CG2 4.08Å |
| 112 | S | 96.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 55 Ų | 55 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 106.3 | 169.7 | 179 | 0 | 0 | 0 | 0 | 109.8 | K100 W114 F115 | K100-S112 WeakPolarHBondContact CE-OG 3.24Å; K100-S112 PolarHBondContact NZ-OG 2.05Å; S112-W114 PolarHBondContact O-N 2.89Å; S112-F115 PolarHBondContact N-O 3.28Å; S112-F115 PolarHBondContact O-N 2.82Å |
| 113 | G | 95.2 | Very high | 96.3 | Very high | 43 Ų | 43 | 62 Ų | 62 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.8 | -117.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q111 | Q111-G113 PolarHBondContact NE2-O 2.84Š|
| 114 | W | 96.5 | Very high | 95.9 | Very high | 82 Ų | 82 | 60 Ų | 60 | 31% | 0.311 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 7.8 | -173.9 | -61.3 | 97.7 | 0 | 0 | 0 | 113.9 | K27 S112 V134 D136 H165 | K27-W114 HydrophobicContact CB-CB 4.23Å; K27-W114 HydrophobicContact CB-CG 4.28Å; K27-W114 HydrophobicContact CD-CG 4.28Å; K27-W114 HydrophobicContact CG-CB 4.28Å; K27-W114 HydrophobicContact CG-CD2 4.29Å; K27-W114 HydrophobicContact CG-CG 3.81Å; S112-W114 PolarHBondContact O-N 2.89Å; W114-V134 PolarHBondContact O-N 3.03Å; W114-D136 WeakPolarHBondContact CH2-OD1 3.45Å; W114-D136 WeakPolarHBondContact CZ3-OD1 3.5Å; W114-H165 PolarHBondContact O-NE2 2.95Å; W114-H165 VanDerWaalsContact O-NE2 3.14Å |
| 115 | F | 98.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 63.3 Ų | 63.3 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.6 | -172.3 | -60.8 | -81.2 | 0 | 0 | 0 | 111.1 | K27 S112 Y117 I130 G132 V163 H165 | K27-F115 HydrophobicContact CB-CE2 4.14Å; K27-F115 HydrophobicContact CB-CZ 4.06Å; S112-F115 PolarHBondContact N-O 3.28Å; S112-F115 PolarHBondContact O-N 2.82Å; F115-Y117 HydrophobicContact CB-CD2 4.36Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; F115-I130 HydrophobicContact CB-CG1 4.49Å; F115-I130 HydrophobicContact CB-CG2 4Å; F115-I130 HydrophobicContact CD1-CD1 4.36Å; F115-I130 HydrophobicContact CD1-CG2 3.82Å; F115-I130 HydrophobicContact CG-CD1 4.42Å; F115-I130 HydrophobicContact CG-CG2 4.31Å; F115-G132 WeakPolarHBondContact CA-O 3.43Å; F115-V163 HydrophobicContact CD1-CB 4.25Å; F115-V163 HydrophobicContact CD1-CG1 4.1Å; F115-V163 HydrophobicContact CE1-CB 4.06Å; F115-V163 HydrophobicContact CE1-CG1 3.89Å; F115-V163 WeakPolarHBondContact CE1-O 3.04Å; F115-H165 AromaticContact CE1-CD2 3.56Å; F115-H165 AromaticContact CE1-NE2 3.6Å; F115-H165 AromaticContact CZ-CD2 3.72Å; F115-H165 AromaticContact CZ-NE2 3.82Å |
| 116 | M | 98 | Very high | 95.5 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 120.3 | 170.2 | -173 | 57.4 | 76.8 | 0 | 0 | 109 | Q109 Q111 I130 T131 G132 I140 | Q109-M116 HydrophobicContact CB-CG 4.3Å; Q109-M116 HydrophobicContact CB-SD 3.85Å; Q111-M116 HydrophobicContact CB-CE 3.96Å; Q111-M116 HydrophobicContact CB-SD 4.26Å; Q111-M116 PolarHBondContact N-SD 3.15Å; Q111-M116 VanDerWaalsContact N-SD 3.43Å; M116-I130 CarbonylContact O-C 3.45Å; M116-I130 WeakPolarHBondContact O-CA 3.14Å; M116-T131 PolarHBondContact O-N 2.96Å; M116-T131 PolarHBondContact O-OG1 2.86Å; M116-G132 PolarHBondContact N-O 3.16Å; M116-I140 HydrophobicContact CB-CG2 4.14Å; M116-I140 HydrophobicContact CE-CD1 3.35Å; M116-I140 HydrophobicContact CE-CG1 4Å |
| 117 | Y | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 55.6 Ų | 55.6 | 3% | 0.027 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 141.4 | 176 | -76.4 | -91 | 0 | 0 | 0 | 110.2 | S29 T30 L99 Q109 L110 F115 L128 E129 I130 | S29-Y117 PolarHBondContact OG-OH 3.5Å; T30-Y117 WeakPolarHBondContact O-CE1 3.46Å; T30-Y117 PolarHBondContact O-OH 2.75Å; T30-Y117 VanDerWaalsContact O-OH 3.05Å; L99-Y117 HydrophobicContact CD2-CD1 4.46Å; L99-Y117 HydrophobicContact CD2-CD2 3.62Å; L99-Y117 HydrophobicContact CD2-CE2 4.44Å; L99-Y117 HydrophobicContact CD2-CG 3.62Å; Q109-Y117 CarbonylContact C-O 3.59Å; Q109-Y117 WeakPolarHBondContact CA-O 3.47Å; L110-Y117 PolarHBondContact N-O 3.03Å; L110-Y117 WeakPolarHBondContact O-CB 3.46Å; L110-Y117 PolarHBondContact O-N 2.86Å; F115-Y117 HydrophobicContact CB-CD2 4.36Å; F115-Y117 HydrophobicContact CB-CE2 3.92Å; Y117-L128 HydrophobicContact CD1-CD1 4.13Å; Y117-L128 HydrophobicContact CD1-CD2 4.45Å; Y117-L128 HydrophobicContact CD1-CG 3.78Å; Y117-L128 HydrophobicContact CE1-CG 4.43Å; Y117-L128 HydrophobicContact CG-CD1 4.41Å; Y117-L128 HydrophobicContact CG-CG 4.49Å; Y117-E129 CarbonylContact C-O 3.56Å; Y117-E129 WeakPolarHBondContact CA-O 3.44Å; Y117-I130 HydrophobicContact CD1-CG1 3.8Å; Y117-I130 HydrophobicContact CE1-CD1 4.03Å; Y117-I130 HydrophobicContact CE1-CG1 3.34Å; Y117-I130 HydrophobicContact CE2-CG1 4.19Å; Y117-I130 HydrophobicContact CG-CG1 4.43Å |
| 118 | T | 98.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.4 Ų | 53.4 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.7 | 175.4 | -53.1 | 0 | 0 | 0 | 0 | 109.8 | E108 Q109 L120 E129 T131 | E108-T118 WeakPolarHBondContact O-CA 3.48Å; Q109-T118 HydrophobicContact CG-CG2 3.89Å; Q109-T118 WeakPolarHBondContact CG-OG1 3.49Å; T118-L120 HydrophobicContact CG2-CD2 3.53Å; T118-L120 HydrophobicContact CG2-CG 3.81Å; T118-L120 PolarHBondContact O-N 2.78Å; T118-E129 PolarHBondContact N-O 2.85Å; T118-E129 PolarHBondContact O-N 3.26Å; T118-T131 HydrophobicContact CG2-CG2 4.47Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T118-T131 PolarHBondContact OG1-OG1 3.17Å |
| 119 | C | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 108.8 | 171.8 | -168.7 | 0 | 0 | 0 | 0 | 109.8 | C97 L104 E105 G107 E108 G127 | C97-C119 HydrophobicContact CB-CB 3.62Å; C97-C119 WeakPolarHBondContact CB-SG 3.3Å; C97-C119 PolarHBondContact N-SG 3.34Å; C97-C119 WeakPolarHBondContact SG-CA 3.45Å; C97-C119 WeakPolarHBondContact SG-CB 3.36Å; C97-C119 CovalentContact SG-SG 2.04Å; C97-C119 PolarHBondContact SG-SG 3.28Å; L104-C119 HydrophobicContact CB-CB 4.06Å; E105-C119 WeakPolarHBondContact O-CB 3.46Å; G107-C119 PolarHBondContact N-O 3.31Å; E108-C119 PolarHBondContact O-N 3.09Å; C119-G127 CarbonylContact C-O 3.55Å; C119-G127 WeakPolarHBondContact CA-O 3.37Å |
| 120 | L | 97.2 | Very high | 95.6 | Very high | 52 Ų | 52 | 45.9 Ų | 45.9 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.9 | -176.2 | -64.8 | 179 | 0 | 0 | 0 | 110.9 | T118 I126 G127 E129 T131 | T118-L120 HydrophobicContact CG2-CD2 3.53Å; T118-L120 HydrophobicContact CG2-CG 3.81Å; T118-L120 PolarHBondContact O-N 2.78Å; L120-I126 CarbonylContact O-C 3.54Å; L120-I126 WeakPolarHBondContact O-CA 3.28Å; L120-I126 WeakPolarHBondContact O-CG1 3.37Å; L120-G127 PolarHBondContact N-O 3.11Å; L120-G127 PolarHBondContact O-N 2.93Å; L120-E129 HydrophobicContact CD1-CB 4.09Å; L120-E129 HydrophobicContact CD1-CG 4.36Å; L120-E129 WeakPolarHBondContact CD1-OE2 3.3Å; L120-T131 HydrophobicContact CD1-CG2 4.35Å |
| 121 | K | 94.4 | Very high | 95.6 | Very high | 104 Ų | 104 | 46.3 Ų | 46.3 | 45% | 0.452 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 123.7 | 173.6 | -173.2 | 174.5 | 179.7 | 177 | 0 | 109.5 | Y36 I106 | Y36-K121 WeakPolarHBondContact OH-CE 3.49Å; I106-K121 HydrophobicContact CD1-CB 4.15Å; I106-K121 HydrophobicContact CD1-CD 3.66Å; I106-K121 HydrophobicContact CG1-CB 4.4Å; I106-K121 HydrophobicContact CG2-CB 3.86Å |
| 122 | Q | 90.4 | Very high | 95.7 | Very high | 97 Ų | 97 | 41.6 Ų | 41.6 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 166.3 | 172.8 | -62.8 | -178.8 | 7.8 | 0 | 0 | 108.9 | Y36 G124 R125 | Y36-Q122 PolarHBondContact OH-O 3.21Å; Q122-G124 PolarHBondContact O-N 2.86Å; Q122-R125 CarbonylContact C-O 3.54Å; Q122-R125 PolarHBondContact N-O 2.78Å; Q122-R125 PolarHBondContact O-N 3.37Å |
| 123 | R | 86.3 | Confident | 95.8 | Very high | 257 Ų | 257 | 40.7 Ų | 40.7 | 97% | 0.97 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 109.8 | -174.7 | -71.2 | -176.5 | 178.6 | 178.2 | -0.1 | 111 | R125 | R123-R125 VanDerWaalsContact C-N 3.3Å; R123-R125 PolarHBondContact O-N 3.21Å |
| 124 | G | 88.2 | Confident | 95.9 | Very high | 20 Ų | 20 | 38.7 Ų | 38.7 | 21% | 0.206 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.2 | 7.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y36 S37 Q122 | Y36-G124 WeakPolarHBondContact CD1-O 3.14Å; Y36-G124 PolarHBondContact N-O 2.62Å; S37-G124 PolarHBondContact N-O 2.98Å; Q122-G124 PolarHBondContact O-N 2.86Å |
| 125 | R | 92.7 | Very high | 95.8 | Very high | 71 Ų | 71 | 35.1 Ų | 35.1 | 27% | 0.268 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.8 | -178.8 | -167.5 | -179.6 | 79.9 | 178.7 | 9.4 | 112.1 | H33 Y34 E35 Y36 Q122 R123 E129 | H33-R125 HydrophobicContact CB-CG 4.42Å; Y34-R125 WeakPolarHBondContact O-CA 3.37Å; E35-R125 HydrophobicContact CG-CG 4.39Å; Y36-R125 VanDerWaalsContact CE1-CA 3.47Å; Y36-R125 VanDerWaalsContact CE1-N 3.26Å; Q122-R125 CarbonylContact C-O 3.54Å; Q122-R125 PolarHBondContact N-O 2.78Å; Q122-R125 PolarHBondContact O-N 3.37Å; R123-R125 VanDerWaalsContact C-N 3.3Å; R123-R125 PolarHBondContact O-N 3.21Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NH2-OE1 3.48Å; R125-E129 PolarHBondContact NH2-OE1 2.91Å |
| 126 | I | 95.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 143.4 | 164.3 | -165.3 | 169.5 | 0 | 0 | 0 | 107.6 | H33 Y34 Y36 F78 P94 I106 L120 | H33-I126 WeakPolarHBondContact CA-O 3.39Å; Y34-I126 HydrophobicContact CD1-CG2 4.41Å; Y34-I126 PolarHBondContact N-O 2.81Å; Y34-I126 PolarHBondContact O-N 2.85Å; Y36-I126 HydrophobicContact CE1-CB 4.36Å; F78-I126 HydrophobicContact CD1-CG2 3.61Å; F78-I126 HydrophobicContact CE1-CG2 3.73Å; F78-I126 HydrophobicContact CG-CG2 4.3Å; F78-I126 HydrophobicContact CZ-CG2 4.47Å; P94-I126 HydrophobicContact CB-CB 4.02Å; P94-I126 HydrophobicContact CB-CD1 3.92Å; P94-I126 HydrophobicContact CB-CG2 3.4Å; P94-I126 HydrophobicContact CG-CB 3.85Å; P94-I126 HydrophobicContact CG-CD1 4.41Å; P94-I126 HydrophobicContact CG-CG2 3.52Å; I106-I126 HydrophobicContact CG1-CD1 4.42Å; L120-I126 CarbonylContact O-C 3.54Å; L120-I126 WeakPolarHBondContact O-CA 3.28Å; L120-I126 WeakPolarHBondContact O-CG1 3.37Å |
| 127 | G | 97 | Very high | 95.3 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y32 C119 L120 E129 | Y32-G127 CarbonylContact O-C 3.4Å; Y32-G127 VanDerWaalsContact O-CA 3.26Å; Y32-G127 WeakPolarHBondContact O-CA 3.33Å; C119-G127 CarbonylContact C-O 3.55Å; C119-G127 WeakPolarHBondContact CA-O 3.37Å; L120-G127 PolarHBondContact N-O 3.11Å; L120-G127 PolarHBondContact O-N 2.93Å; G127-E129 PolarHBondContact O-N 2.9Å |
| 128 | L | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 83.3 | 160.1 | -178.3 | 61.6 | 0 | 0 | 0 | 106.4 | S31 Y32 Y77 F78 C97 L98 L99 L104 Y117 | S31-L128 WeakPolarHBondContact CA-O 3.25Å; Y32-L128 HydrophobicContact CD2-CD2 4.29Å; Y32-L128 PolarHBondContact N-O 2.83Å; Y32-L128 PolarHBondContact O-N 3.24Å; Y77-L128 HydrophobicContact CD1-CD2 4.2Å; F78-L128 HydrophobicContact CE1-CB 4.31Å; C97-L128 HydrophobicContact CB-CB 4.32Å; C97-L128 HydrophobicContact CB-CD1 3.95Å; L98-L128 WeakPolarHBondContact O-CD2 3.23Å; L99-L128 HydrophobicContact CB-CD1 4.44Å; L99-L128 HydrophobicContact CB-CD2 4.13Å; L99-L128 HydrophobicContact CD1-CD2 4.16Å; L104-L128 HydrophobicContact CD1-CD1 3.98Å; Y117-L128 HydrophobicContact CD1-CD1 4.13Å; Y117-L128 HydrophobicContact CD1-CD2 4.45Å; Y117-L128 HydrophobicContact CD1-CG 3.78Å; Y117-L128 HydrophobicContact CE1-CG 4.43Å; Y117-L128 HydrophobicContact CG-CD1 4.41Å; Y117-L128 HydrophobicContact CG-CG 4.49Å |
| 129 | E | 97.5 | Very high | 95 | Very high | 32 Ų | 32 | 49.7 Ų | 49.7 | 15% | 0.15 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 137 | -167.9 | -62.8 | -171.2 | -168 | 0 | 0 | 110.9 | H33 Y117 T118 L120 R125 G127 T131 | H33-E129 IonicContact CD2-OE1 3.75Å; H33-E129 IonicContact NE2-OE1 2.82Å; H33-E129 PolarHBondContact NE2-OE1 3.06Å; Y117-E129 CarbonylContact C-O 3.56Å; Y117-E129 WeakPolarHBondContact CA-O 3.44Å; T118-E129 PolarHBondContact N-O 2.85Å; T118-E129 PolarHBondContact O-N 3.26Å; L120-E129 HydrophobicContact CD1-CB 4.09Å; L120-E129 HydrophobicContact CD1-CG 4.36Å; L120-E129 WeakPolarHBondContact CD1-OE2 3.3Å; R125-E129 IonicContact CZ-OE1 3.9Å; R125-E129 IonicContact NH2-OE1 3.48Å; R125-E129 PolarHBondContact NH2-OE1 2.91Å; G127-E129 PolarHBondContact O-N 2.9Å; E129-T131 PolarHBondContact O-N 2.99Å |
| 130 | I | 98.2 | Very high | 94.9 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.6 | 170.5 | -60.1 | 168.2 | 0 | 0 | 0 | 108.5 | S31 F115 M116 Y117 V163 | S31-I130 PolarHBondContact OG-N 2.55Å; F115-I130 HydrophobicContact CB-CG1 4.49Å; F115-I130 HydrophobicContact CB-CG2 4Å; F115-I130 HydrophobicContact CD1-CD1 4.36Å; F115-I130 HydrophobicContact CD1-CG2 3.82Å; F115-I130 HydrophobicContact CG-CD1 4.42Å; F115-I130 HydrophobicContact CG-CG2 4.31Å; M116-I130 CarbonylContact O-C 3.45Å; M116-I130 WeakPolarHBondContact O-CA 3.14Å; Y117-I130 HydrophobicContact CD1-CG1 3.8Å; Y117-I130 HydrophobicContact CE1-CD1 4.03Å; Y117-I130 HydrophobicContact CE1-CG1 3.34Å; Y117-I130 HydrophobicContact CE2-CG1 4.19Å; Y117-I130 HydrophobicContact CG-CG1 4.43Å; I130-V163 HydrophobicContact CB-CB 4.19Å; I130-V163 HydrophobicContact CB-CG2 3.62Å; I130-V163 HydrophobicContact CD1-CB 3.97Å; I130-V163 HydrophobicContact CD1-CG2 4.05Å; I130-V163 HydrophobicContact CG1-CG2 4.44Å; I130-V163 HydrophobicContact CG2-CB 3.76Å; I130-V163 HydrophobicContact CG2-CG1 3.98Å; I130-V163 HydrophobicContact CG2-CG2 3.6Å |
| 131 | T | 97 | Very high | 95 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 29% | 0.288 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -10.9 | -178.4 | 52.8 | 0 | 0 | 0 | 0 | 113.4 | M116 T118 L120 E129 | M116-T131 PolarHBondContact O-N 2.96Å; M116-T131 PolarHBondContact O-OG1 2.86Å; T118-T131 HydrophobicContact CG2-CG2 4.47Å; T118-T131 WeakPolarHBondContact OG1-CG2 3.47Å; T118-T131 PolarHBondContact OG1-OG1 3.17Å; L120-T131 HydrophobicContact CD1-CG2 4.35Å; E129-T131 PolarHBondContact O-N 2.99Å |
| 132 | G | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 168.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | F115 M116 A141 | F115-G132 WeakPolarHBondContact CA-O 3.43Å; M116-G132 PolarHBondContact N-O 3.16Å; G132-A141 CarbonylContact C-O 3.56Å; G132-A141 WeakPolarHBondContact CA-O 3.26Å |
| 133 | C | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 142.6 | 175.2 | -63.4 | 0 | 0 | 0 | 0 | 109.7 | I140 A141 F147 C156 H165 | C133-I140 CarbonylContact O-C 3.5Å; C133-I140 WeakPolarHBondContact O-CA 3.04Å; C133-A141 PolarHBondContact N-O 2.85Å; C133-A141 PolarHBondContact O-N 3.19Å; C133-F147 HydrophobicContact CB-CD1 4.46Å; C133-F147 HydrophobicContact CB-CE1 3.6Å; C133-F147 HydrophobicContact CB-CE2 4.31Å; C133-F147 HydrophobicContact CB-CZ 3.5Å; C133-C156 HydrophobicContact CB-CB 3.61Å; C133-C156 WeakPolarHBondContact CB-SG 3.1Å; C133-C156 PolarHBondContact N-SG 2.98Å; C133-C156 WeakPolarHBondContact SG-CA 3.16Å; C133-C156 WeakPolarHBondContact SG-CB 3.24Å; C133-C156 CovalentContact SG-SG 2.03Å; C133-C156 PolarHBondContact SG-SG 3.1Å; C133-H165 WeakPolarHBondContact CB-NE2 3.29Å; C133-H165 PolarHBondContact SG-CD2 2.94Å |
| 134 | V | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 132.6 | -177.4 | -170.3 | 0 | 0 | 0 | 0 | 110.2 | Q111 W114 F139 I140 | Q111-V134 HydrophobicContact CG-CG2 4.08Å; W114-V134 PolarHBondContact O-N 3.03Å; V134-F139 WeakPolarHBondContact CA-O 3.01Å; V134-I140 HydrophobicContact CG2-CG1 4.42Å |
| 135 | S | 95.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -78.5 | 175.4 | 174.9 | 76.9 | 0 | 0 | 0 | 0 | 112.1 | T137 G138 F139 S148 | S135-T137 PolarHBondContact O-N 2.71Å; S135-T137 PolarHBondContact OG-N 3.08Å; S135-T137 VanDerWaalsContact OG-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.39Å; S135-G138 PolarHBondContact O-N 3.32Å; S135-G138 PolarHBondContact OG-N 3.28Å; S135-F139 PolarHBondContact N-O 2.94Å; S135-F139 WeakPolarHBondContact OG-CB 3.34Å; S135-F139 PolarHBondContact OG-N 3.39Å; S135-S148 WeakPolarHBondContact CB-O 3.45Å | ||
| 136 | D | 91.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.7 | 172.2 | -55.4 | -36.7 | 0 | 0 | 0 | 112.7 | W114 R149 K150 | W114-D136 WeakPolarHBondContact CH2-OD1 3.45Å; W114-D136 WeakPolarHBondContact CZ3-OD1 3.5Å; D136-R149 IonicContact OD1-NE 3.61Å; D136-R149 WeakPolarHBondContact OD2-CA 3.37Å; D136-R149 WeakPolarHBondContact OD2-CB 3.38Å; D136-K150 VanDerWaalsContact OD2-CG 3.28Å; D136-K150 WeakPolarHBondContact OD2-CG 3.33Å; D136-K150 PolarHBondContact OD2-N 2.54Å |
| 137 | T | 93.2 | Very high | 96.8 | Very high | 124 Ų | 124 | 46.4 Ų | 46.4 | 76% | 0.761 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -0.1 | 178.4 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | S135 F139 | S135-T137 PolarHBondContact O-N 2.71Å; S135-T137 PolarHBondContact OG-N 3.08Å; S135-T137 VanDerWaalsContact OG-N 3.08Å; S135-T137 PolarHBondContact OG-OG1 3.39Å; T137-F139 VanDerWaalsContact C-N 3.31Å |
| 138 | G | 94.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 49 Ų | 49 | 40% | 0.402 | 28% | 0.276 | S | S | . | . | trans | 81.9 | 3.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S135 | S135-G138 PolarHBondContact O-N 3.32Å; S135-G138 PolarHBondContact OG-N 3.28Å | ||
| 139 | F | 95.8 | Very high | 96.5 | Very high | 114 Ų | 114 | 49.6 Ų | 49.6 | 50% | 0.5 | 28% | 0.278 | S | S | . | . | trans | -64.1 | 135.2 | 171.4 | 172.6 | -97.9 | 0 | 0 | 0 | 110.3 | V134 S135 T137 A141 F147 | V134-F139 WeakPolarHBondContact CA-O 3.01Å; S135-F139 PolarHBondContact N-O 2.94Å; S135-F139 WeakPolarHBondContact OG-CB 3.34Å; S135-F139 PolarHBondContact OG-N 3.39Å; T137-F139 VanDerWaalsContact C-N 3.31Å; F139-A141 HydrophobicContact CD1-CB 4.44Å; F139-A141 HydrophobicContact CE1-CB 3.93Å; F139-F147 HydrophobicContact CD1-CB 4.15Å; F139-F147 HydrophobicContact CE1-CB 4.17Å | ||
| 140 | I | 97.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 39% | 0.39 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 106 | -179 | -55.8 | 158.5 | 0 | 0 | 0 | 108.6 | M116 C133 V134 | M116-I140 HydrophobicContact CB-CG2 4.14Å; M116-I140 HydrophobicContact CE-CD1 3.35Å; M116-I140 HydrophobicContact CE-CG1 4Å; C133-I140 CarbonylContact O-C 3.5Å; C133-I140 WeakPolarHBondContact O-CA 3.04Å; V134-I140 HydrophobicContact CG2-CG1 4.42Å |
| 141 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 131.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G132 C133 F139 D145 F147 C156 | G132-A141 CarbonylContact C-O 3.56Å; G132-A141 WeakPolarHBondContact CA-O 3.26Å; C133-A141 PolarHBondContact N-O 2.85Å; C133-A141 PolarHBondContact O-N 3.19Å; F139-A141 HydrophobicContact CD1-CB 4.44Å; F139-A141 HydrophobicContact CE1-CB 3.93Å; A141-D145 HydrophobicContact CB-CB 3.76Å; A141-F147 HydrophobicContact CB-CB 3.82Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.24Å; A141-F147 HydrophobicContact CB-CG 3.78Å; A141-C156 HydrophobicContact CB-CB 4.46Å |
| 142 | K | 98 | Very high | 96 | Very high | 149 Ų | 149 | 54 Ų | 54 | 65% | 0.648 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 166 | 171.4 | -59.5 | 177.4 | -179.2 | 175.1 | 0 | 109.8 | A144 D145 C156 | K142-A144 PolarHBondContact O-N 3.07Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.49Å; K142-D145 PolarHBondContact N-OD2 2.86Å; K142-D145 VanDerWaalsContact O-CB 3.3Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.84Å; K142-C156 WeakPolarHBondContact O-CB 3.28Å |
| 143 | I | 97.7 | Very high | 95.9 | Very high | 72 Ų | 72 | 54.7 Ų | 54.7 | 37% | 0.369 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 134.6 | 169.7 | -52.9 | -56.4 | 0 | 0 | 0 | 109.2 | D145 V163 | I143-D145 VanDerWaalsContact C-N 3.31Å; I143-V163 HydrophobicContact CD1-CG1 3.77Å; I143-V163 HydrophobicContact CD1-CG2 3.97Å |
| 144 | A | 97.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 56% | 0.562 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | -9.3 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K142 C156 | K142-A144 PolarHBondContact O-N 3.07Å; A144-C156 WeakPolarHBondContact CA-O 3.14Å; A144-C156 PolarHBondContact N-O 2.96Å |
| 145 | D | 98.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 57.3 Ų | 57.3 | 34% | 0.342 | 31% | 0.313 | S | S | . | . | trans | -72.9 | 147.7 | 176.4 | -68.7 | -14.3 | 0 | 0 | 0 | 111.7 | A141 K142 I143 M155 C156 | A141-D145 HydrophobicContact CB-CB 3.76Å; K142-D145 VanDerWaalsContact CB-OD2 3.26Å; K142-D145 WeakPolarHBondContact CB-OD2 3.49Å; K142-D145 PolarHBondContact N-OD2 2.86Å; K142-D145 VanDerWaalsContact O-CB 3.3Å; K142-D145 WeakPolarHBondContact O-CB 3.43Å; K142-D145 PolarHBondContact O-N 2.84Å; I143-D145 VanDerWaalsContact C-N 3.31Å; D145-M155 WeakPolarHBondContact O-CA 3.31Å; D145-C156 PolarHBondContact O-N 3.02Å | ||
| 146 | I | 97 | Very high | 95.8 | Very high | 94 Ų | 94 | 57 Ų | 57 | 48% | 0.482 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137 | 169.1 | -60.9 | 174.8 | 0 | 0 | 0 | 108.8 | L153 F154 M155 V168 | I146-L153 HydrophobicContact CG2-CB 4.39Å; I146-L153 HydrophobicContact CG2-CD2 4.43Å; I146-F154 CarbonylContact C-O 3.53Å; I146-F154 VanDerWaalsContact CA-O 3.27Å; I146-F154 WeakPolarHBondContact CA-O 3.49Å; I146-M155 HydrophobicContact CD1-CE 4.01Å; I146-M155 HydrophobicContact CG1-CB 4.36Å; I146-M155 HydrophobicContact CG1-CE 3.87Å; I146-M155 HydrophobicContact CG1-CG 4.48Å; I146-V168 HydrophobicContact CG2-CG2 4.32Å |
| 147 | F | 96.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 159.9 | 178 | 65.4 | -76 | 0 | 0 | 0 | 110.6 | C133 F139 A141 R149 F154 C156 H165 | C133-F147 HydrophobicContact CB-CD1 4.46Å; C133-F147 HydrophobicContact CB-CE1 3.6Å; C133-F147 HydrophobicContact CB-CE2 4.31Å; C133-F147 HydrophobicContact CB-CZ 3.5Å; F139-F147 HydrophobicContact CD1-CB 4.15Å; F139-F147 HydrophobicContact CE1-CB 4.17Å; A141-F147 HydrophobicContact CB-CB 3.82Å; A141-F147 HydrophobicContact CB-CD1 3.49Å; A141-F147 VanDerWaalsContact CB-CD1 3.49Å; A141-F147 HydrophobicContact CB-CE1 4.24Å; A141-F147 HydrophobicContact CB-CG 3.78Å; F147-R149 HydrophobicContact CD2-CG 4.15Å; F147-R149 HydrophobicContact CE2-CG 3.81Å; F147-F154 HydrophobicContact CD1-CB 4.33Å; F147-F154 VanDerWaalsContact CD1-O 3.28Å; F147-F154 WeakPolarHBondContact CD1-O 3.19Å; F147-F154 HydrophobicContact CE1-CB 3.82Å; F147-F154 HydrophobicContact CE2-CB 4.26Å; F147-F154 HydrophobicContact CZ-CB 3.79Å; F147-F154 PolarHBondContact N-O 3.1Å; F147-F154 PolarHBondContact O-N 2.83Å; F147-C156 HydrophobicContact CD1-CB 4.5Å; F147-C156 HydrophobicContact CE1-CB 4Å; F147-H165 AromaticContact CE2-CE1 3.94Å; F147-H165 AromaticContact CE2-ND1 3.99Å; F147-H165 HydrophobicContact CZ-CB 4.44Å; F147-H165 AromaticContact CZ-CE1 3.66Å; F147-H165 AromaticContact CZ-CG 3.81Å; F147-H165 AromaticContact CZ-ND1 3.6Å; F147-H165 AromaticContact CZ-NE2 3.96Å |
| 148 | S | 95.4 | Very high | 96.3 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 145.3 | 179.1 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | S135 F152 | S135-S148 WeakPolarHBondContact CB-O 3.45Å; S148-F152 CarbonylContact C-O 3.49Å; S148-F152 VanDerWaalsContact CA-O 3.26Å; S148-F152 WeakPolarHBondContact CA-O 3.48Å |
| 149 | R | 93.2 | Very high | 96.3 | Very high | 12 Ų | 12 | 59 Ų | 59 | 5% | 0.045 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 115.5 | 165.4 | -70.9 | 174.5 | 62.2 | -137.7 | 0.5 | 107.6 | L25 D136 F147 S151 F152 F154 | L25-R149 PolarHBondContact O-NH1 3.16Å; L25-R149 VanDerWaalsContact O-NH1 3.1Å; D136-R149 IonicContact OD1-NE 3.61Å; D136-R149 WeakPolarHBondContact OD2-CA 3.37Å; D136-R149 WeakPolarHBondContact OD2-CB 3.38Å; F147-R149 HydrophobicContact CD2-CG 4.15Å; F147-R149 HydrophobicContact CE2-CG 3.81Å; R149-S151 PolarHBondContact O-N 2.04Å; R149-F152 PolarHBondContact N-O 2.67Å; R149-F152 WeakPolarHBondContact O-CB 3.46Å; R149-F152 PolarHBondContact O-N 2.82Å; R149-F154 HydrophobicContact CB-CD2 3.91Å; R149-F154 HydrophobicContact CB-CE2 3.88Å; R149-F154 HydrophobicContact CG-CD2 4.16Å; R149-F154 HydrophobicContact CG-CE2 4.48Å |
| 150 | K | 91.3 | Very high | 96.2 | Very high | 151 Ų | 151 | 57.3 Ų | 57.3 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | -128.5 | -167.9 | -51.8 | -176.9 | 178 | -177.7 | 0 | 109.8 | D136 F152 | D136-K150 VanDerWaalsContact OD2-CG 3.28Å; D136-K150 WeakPolarHBondContact OD2-CG 3.33Å; D136-K150 PolarHBondContact OD2-N 2.54Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CD2 4.48Å; K150-F152 PolarHBondContact O-N 3.07Å |
| 151 | S | 94.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | 27.1 | 178.5 | -45.4 | 0 | 0 | 0 | 0 | 113.7 | E22 R149 I171 | E22-S151 WeakPolarHBondContact OE2-CB 3.48Å; E22-S151 PolarHBondContact OE2-OG 2.91Å; R149-S151 PolarHBondContact O-N 2.04Å; S151-I171 PolarHBondContact O-N 3.14Å |
| 152 | F | 96.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 149 | -173.4 | -57.7 | -79 | 0 | 0 | 0 | 112.9 | E22 C24 S148 R149 K150 F154 C170 V200 I202 | E22-F152 HydrophobicContact CB-CE2 3.96Å; E22-F152 HydrophobicContact CB-CZ 3.75Å; E22-F152 VanDerWaalsContact O-CZ 3.29Å; E22-F152 WeakPolarHBondContact O-CZ 3.17Å; C24-F152 HydrophobicContact CB-CB 4.41Å; C24-F152 HydrophobicContact CB-CD2 3.4Å; C24-F152 HydrophobicContact CB-CE2 3.78Å; C24-F152 HydrophobicContact CB-CG 3.9Å; S148-F152 CarbonylContact C-O 3.49Å; S148-F152 VanDerWaalsContact CA-O 3.26Å; S148-F152 WeakPolarHBondContact CA-O 3.48Å; R149-F152 PolarHBondContact N-O 2.67Å; R149-F152 WeakPolarHBondContact O-CB 3.46Å; R149-F152 PolarHBondContact O-N 2.82Å; K150-F152 VanDerWaalsContact C-N 3.27Å; K150-F152 HydrophobicContact CB-CD2 4.48Å; K150-F152 PolarHBondContact O-N 3.07Å; F152-F154 HydrophobicContact CB-CD2 4.28Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.37Å; F152-C170 HydrophobicContact CD1-CB 4.38Å; F152-V200 HydrophobicContact CB-CG1 3.96Å; F152-V200 HydrophobicContact CD1-CB 4.1Å; F152-V200 HydrophobicContact CD1-CG1 3.31Å; F152-V200 HydrophobicContact CD1-CG2 3.79Å; F152-V200 HydrophobicContact CE1-CB 4.44Å; F152-V200 HydrophobicContact CE1-CG1 3.97Å; F152-V200 HydrophobicContact CE1-CG2 4.08Å; F152-V200 HydrophobicContact CG-CG1 3.75Å; F152-I202 HydrophobicContact CE1-CD1 4.12Å; F152-I202 HydrophobicContact CE1-CG1 3.83Å; F152-I202 HydrophobicContact CZ-CD1 4.19Å; F152-I202 HydrophobicContact CZ-CG1 4.18Å |
| 153 | L | 96 | Very high | 96.2 | Very high | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.068 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.2 | 177.4 | -60.8 | 170.3 | 0 | 0 | 0 | 109.9 | I146 V168 G169 I171 E176 | I146-L153 HydrophobicContact CG2-CB 4.39Å; I146-L153 HydrophobicContact CG2-CD2 4.43Å; L153-V168 HydrophobicContact CB-CG2 3.84Å; L153-V168 WeakPolarHBondContact O-CG2 3.08Å; L153-V168 PolarHBondContact O-N 3.39Å; L153-G169 PolarHBondContact N-O 2.77Å; L153-G169 PolarHBondContact O-N 2.95Å; L153-I171 HydrophobicContact CD1-CG1 4.5Å; L153-I171 HydrophobicContact CD2-CD1 3.82Å; L153-I171 HydrophobicContact CD2-CG1 3.87Å; L153-I171 HydrophobicContact CG-CD1 4.37Å; L153-I171 HydrophobicContact CG-CG1 3.92Å; L153-E176 HydrophobicContact CD1-CB 3.84Å; L153-E176 HydrophobicContact CD1-CG 3.79Å |
| 154 | F | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 144.7 | 177.3 | -70.8 | -89.8 | 0 | 0 | 0 | 110.1 | C24 I146 F147 R149 F152 H165 K166 A167 V200 | C24-F154 HydrophobicContact CB-CE2 4.22Å; C24-F154 HydrophobicContact CB-CZ 3.93Å; C24-F154 VanDerWaalsContact SG-CZ 3.58Å; I146-F154 CarbonylContact C-O 3.53Å; I146-F154 VanDerWaalsContact CA-O 3.27Å; I146-F154 WeakPolarHBondContact CA-O 3.49Å; F147-F154 HydrophobicContact CD1-CB 4.33Å; F147-F154 VanDerWaalsContact CD1-O 3.28Å; F147-F154 WeakPolarHBondContact CD1-O 3.19Å; F147-F154 HydrophobicContact CE1-CB 3.82Å; F147-F154 HydrophobicContact CE2-CB 4.26Å; F147-F154 HydrophobicContact CZ-CB 3.79Å; F147-F154 PolarHBondContact N-O 3.1Å; F147-F154 PolarHBondContact O-N 2.83Å; R149-F154 HydrophobicContact CB-CD2 3.91Å; R149-F154 HydrophobicContact CB-CE2 3.88Å; R149-F154 HydrophobicContact CG-CD2 4.16Å; R149-F154 HydrophobicContact CG-CE2 4.48Å; F152-F154 HydrophobicContact CB-CD2 4.28Å; F152-F154 HydrophobicContact CB-CE2 3.64Å; F152-F154 HydrophobicContact CB-CZ 4.37Å; F154-H165 HydrophobicContact CB-CB 4.45Å; F154-H165 HydrophobicContact CD1-CB 3.75Å; F154-H165 WeakPolarHBondContact CD1-O 3.46Å; F154-H165 HydrophobicContact CE1-CB 4.36Å; F154-H165 HydrophobicContact CG-CB 4.3Å; F154-K166 CarbonylContact C-O 3.56Å; F154-K166 WeakPolarHBondContact CA-O 3.47Å; F154-A167 HydrophobicContact CD1-CB 4.12Å; F154-A167 HydrophobicContact CE1-CB 3.79Å; F154-A167 HydrophobicContact CZ-CB 4.44Å; F154-V200 HydrophobicContact CZ-CG1 4.12Å |
| 155 | M | 96.8 | Very high | 96 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 28% | 0.281 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 134.2 | 167.2 | -176 | 179.5 | -76.3 | 0 | 0 | 109 | D145 I146 V157 K166 V168 | D145-M155 WeakPolarHBondContact O-CA 3.31Å; I146-M155 HydrophobicContact CD1-CE 4.01Å; I146-M155 HydrophobicContact CG1-CB 4.36Å; I146-M155 HydrophobicContact CG1-CE 3.87Å; I146-M155 HydrophobicContact CG1-CG 4.48Å; M155-V157 HydrophobicContact CB-CG2 4.11Å; M155-V157 HydrophobicContact CG-CG2 3.79Å; M155-V157 PolarHBondContact O-N 2.8Å; M155-V157 HydrophobicContact SD-CG2 4.01Å; M155-K166 PolarHBondContact N-O 2.67Å; M155-K166 PolarHBondContact O-N 2.83Å; M155-V168 HydrophobicContact CB-CG1 3.77Å |
| 156 | C | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 99.2 | 175.2 | -168.3 | 0 | 0 | 0 | 0 | 109.9 | C133 A141 K142 A144 D145 F147 | C133-C156 HydrophobicContact CB-CB 3.61Å; C133-C156 WeakPolarHBondContact CB-SG 3.1Å; C133-C156 PolarHBondContact N-SG 2.98Å; C133-C156 WeakPolarHBondContact SG-CA 3.16Å; C133-C156 WeakPolarHBondContact SG-CB 3.24Å; C133-C156 CovalentContact SG-SG 2.03Å; C133-C156 PolarHBondContact SG-SG 3.1Å; A141-C156 HydrophobicContact CB-CB 4.46Å; K142-C156 WeakPolarHBondContact O-CB 3.28Å; A144-C156 WeakPolarHBondContact CA-O 3.14Å; A144-C156 PolarHBondContact N-O 2.96Å; D145-C156 PolarHBondContact O-N 3.02Å; F147-C156 HydrophobicContact CD1-CB 4.5Å; F147-C156 HydrophobicContact CE1-CB 4Å |
| 157 | V | 97.5 | Very high | 95.7 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 24% | 0.242 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 121.9 | -171.8 | 180 | 0 | 0 | 0 | 0 | 110.7 | M155 V163 I164 K166 | M155-V157 HydrophobicContact CB-CG2 4.11Å; M155-V157 HydrophobicContact CG-CG2 3.79Å; M155-V157 PolarHBondContact O-N 2.8Å; M155-V157 HydrophobicContact SD-CG2 4.01Å; V157-V163 CarbonylContact O-C 3.57Å; V157-V163 WeakPolarHBondContact O-CA 3.37Å; V157-I164 PolarHBondContact N-O 2.61Å; V157-I164 PolarHBondContact O-N 2.94Å; V157-K166 HydrophobicContact CB-CB 4.42Å; V157-K166 HydrophobicContact CG2-CB 3.73Å; V157-K166 HydrophobicContact CG2-CD 3.99Å |
| 158 | G | 97.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 134.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q162 | G158-Q162 CarbonylContact C-O 3.46Å; G158-Q162 WeakPolarHBondContact CA-O 3.29Å |
| 159 | R | 94.5 | Very high | 95.7 | Very high | 192 Ų | 192 | 47.6 Ų | 47.6 | 73% | 0.725 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 98.1 | 173.5 | -175.1 | -177.5 | -178.7 | 179.1 | 0.5 | 109.4 | D161 Q162 | R159-D161 PolarHBondContact O-N 3.02Å; R159-Q162 PolarHBondContact N-O 3.29Å; R159-Q162 PolarHBondContact O-N 3.04Å |
| 160 | G | 94.2 | Very high | 95.9 | Very high | 79 Ų | 79 | 47 Ų | 47 | 81% | 0.814 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | -130.4 | -170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q162 | G160-Q162 PolarHBondContact O-N 3.37Š|
| 161 | D | 95.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -6.4 | 177.3 | -62.1 | -25.9 | 0 | 0 | 0 | 113.5 | T30 S31 H33 R159 | T30-D161 CarbonylContact C-O 3.5Å; T30-D161 VanDerWaalsContact CA-O 3.31Å; T30-D161 WeakPolarHBondContact CA-O 3.45Å; T30-D161 HydrophobicContact CG2-CB 3.91Å; S31-D161 PolarHBondContact N-O 2.82Å; H33-D161 IonicContact CE1-OD1 3.33Å; H33-D161 PolarHBondContact CE1-OD1 3.26Å; H33-D161 IonicContact ND1-OD1 2.99Å; H33-D161 PolarHBondContact ND1-OD1 3.42Å; H33-D161 IonicContact ND1-OD2 3.62Å; R159-D161 PolarHBondContact O-N 3.02Å |
| 162 | Q | 97.7 | Very high | 96.2 | Very high | 87 Ų | 87 | 40.9 Ų | 40.9 | 41% | 0.407 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 142.1 | -178.3 | -66.6 | -176.1 | -28.4 | 0 | 0 | 112 | S29 T30 G158 R159 G160 | S29-Q162 CarbonylContact O-C 3.58Å; S29-Q162 WeakPolarHBondContact O-CA 3.39Å; T30-Q162 HydrophobicContact CG2-CG 4.34Å; G158-Q162 CarbonylContact C-O 3.46Å; G158-Q162 WeakPolarHBondContact CA-O 3.29Å; R159-Q162 PolarHBondContact N-O 3.29Å; R159-Q162 PolarHBondContact O-N 3.04Å; G160-Q162 PolarHBondContact O-N 3.37Å |
| 163 | V | 98.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 133.4 | 168.2 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | T28 S29 F115 I130 I143 V157 | T28-V163 WeakPolarHBondContact CA-O 3.24Å; S29-V163 PolarHBondContact N-O 3.29Å; S29-V163 PolarHBondContact O-N 3.13Å; F115-V163 HydrophobicContact CD1-CB 4.25Å; F115-V163 HydrophobicContact CD1-CG1 4.1Å; F115-V163 HydrophobicContact CE1-CB 4.06Å; F115-V163 HydrophobicContact CE1-CG1 3.89Å; F115-V163 WeakPolarHBondContact CE1-O 3.04Å; I130-V163 HydrophobicContact CB-CB 4.19Å; I130-V163 HydrophobicContact CB-CG2 3.62Å; I130-V163 HydrophobicContact CD1-CB 3.97Å; I130-V163 HydrophobicContact CD1-CG2 4.05Å; I130-V163 HydrophobicContact CG1-CG2 4.44Å; I130-V163 HydrophobicContact CG2-CB 3.76Å; I130-V163 HydrophobicContact CG2-CG1 3.98Å; I130-V163 HydrophobicContact CG2-CG2 3.6Å; I143-V163 HydrophobicContact CD1-CG1 3.77Å; I143-V163 HydrophobicContact CD1-CG2 3.97Å; V157-V163 CarbonylContact O-C 3.57Å; V157-V163 WeakPolarHBondContact O-CA 3.37Å |
| 164 | I | 96 | Very high | 95.9 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.1 | -170.8 | -51.4 | 174.9 | 0 | 0 | 0 | 109.4 | K27 T28 V157 K166 | K27-I164 CarbonylContact O-C 3.39Å; K27-I164 WeakPolarHBondContact O-CA 3.43Å; T28-I164 HydrophobicContact CG2-CG1 3.97Å; V157-I164 PolarHBondContact N-O 2.61Å; V157-I164 PolarHBondContact O-N 2.94Å; I164-K166 PolarHBondContact O-N 2.93Å; I164-K166 VanDerWaalsContact O-N 3.12Å |
| 165 | H | 95.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 90.6 | 163.2 | -65.8 | -157.5 | 0 | 0 | 0 | 107.5 | T26 K27 W114 F115 C133 F147 F154 A167 | T26-H165 WeakPolarHBondContact CB-O 3.38Å; T26-H165 VanDerWaalsContact CG2-O 3.24Å; T26-H165 WeakPolarHBondContact CG2-O 3.42Å; K27-H165 HydrophobicContact CB-CB 4.3Å; K27-H165 PolarHBondContact O-N 2.91Å; W114-H165 PolarHBondContact O-NE2 2.95Å; W114-H165 VanDerWaalsContact O-NE2 3.14Å; F115-H165 AromaticContact CE1-CD2 3.56Å; F115-H165 AromaticContact CE1-NE2 3.6Å; F115-H165 AromaticContact CZ-CD2 3.72Å; F115-H165 AromaticContact CZ-NE2 3.82Å; C133-H165 WeakPolarHBondContact CB-NE2 3.29Å; C133-H165 PolarHBondContact SG-CD2 2.94Å; F147-H165 AromaticContact CE2-CE1 3.94Å; F147-H165 AromaticContact CE2-ND1 3.99Å; F147-H165 HydrophobicContact CZ-CB 4.44Å; F147-H165 AromaticContact CZ-CE1 3.66Å; F147-H165 AromaticContact CZ-CG 3.81Å; F147-H165 AromaticContact CZ-ND1 3.6Å; F147-H165 AromaticContact CZ-NE2 3.96Å; F154-H165 HydrophobicContact CB-CB 4.45Å; F154-H165 HydrophobicContact CD1-CB 3.75Å; F154-H165 WeakPolarHBondContact CD1-O 3.46Å; F154-H165 HydrophobicContact CE1-CB 4.36Å; F154-H165 HydrophobicContact CG-CB 4.3Å; H165-A167 PolarHBondContact O-N 3.32Å |
| 166 | K | 94.6 | Very high | 95.9 | Very high | 112 Ų | 112 | 64 Ų | 64 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 117.1 | 179.4 | -176.2 | -178.5 | 178.4 | -174.7 | 0 | 108.9 | F154 M155 V157 I164 V168 | F154-K166 CarbonylContact C-O 3.56Å; F154-K166 WeakPolarHBondContact CA-O 3.47Å; M155-K166 PolarHBondContact N-O 2.67Å; M155-K166 PolarHBondContact O-N 2.83Å; V157-K166 HydrophobicContact CB-CB 4.42Å; V157-K166 HydrophobicContact CG2-CB 3.73Å; V157-K166 HydrophobicContact CG2-CD 3.99Å; I164-K166 PolarHBondContact O-N 2.93Å; I164-K166 VanDerWaalsContact O-N 3.12Å; K166-V168 PolarHBondContact O-N 3.03Å |
| 167 | A | 94.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 8% | 0.083 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 133.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | F154 H165 I179 V200 | F154-A167 HydrophobicContact CD1-CB 4.12Å; F154-A167 HydrophobicContact CE1-CB 3.79Å; F154-A167 HydrophobicContact CZ-CB 4.44Å; H165-A167 PolarHBondContact O-N 3.32Å; A167-I179 HydrophobicContact CB-CD1 4.2Å; A167-I179 VanDerWaalsContact O-CD1 3.29Å; A167-I179 WeakPolarHBondContact O-CD1 3.48Å; A167-V200 HydrophobicContact CB-CB 3.78Å; A167-V200 HydrophobicContact CB-CG1 3.65Å |
| 168 | V | 95.4 | Very high | 95.9 | Very high | 40 Ų | 40 | 67.5 Ų | 67.5 | 24% | 0.242 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | -18.5 | 179.4 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | I146 L153 M155 K166 I179 | I146-V168 HydrophobicContact CG2-CG2 4.32Å; L153-V168 HydrophobicContact CB-CG2 3.84Å; L153-V168 WeakPolarHBondContact O-CG2 3.08Å; L153-V168 PolarHBondContact O-N 3.39Å; M155-V168 HydrophobicContact CB-CG1 3.77Å; K166-V168 PolarHBondContact O-N 3.03Å; V168-I179 WeakPolarHBondContact O-CG1 3.01Å |
| 169 | G | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.5 | -174.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | L153 V177 C192 | L153-G169 PolarHBondContact N-O 2.77Å; L153-G169 PolarHBondContact O-N 2.95Å; G169-V177 CarbonylContact C-O 3.48Å; G169-V177 VanDerWaalsContact CA-O 3.28Å; G169-V177 WeakPolarHBondContact CA-O 3.21Å; G169-C192 VanDerWaalsContact C-SG 3.56Å |
| 170 | C | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 157.3 | 177 | -59.2 | 0 | 0 | 0 | 0 | 110.1 | F152 I172 E176 V177 C192 V200 I202 | F152-C170 HydrophobicContact CD1-CB 4.38Å; C170-I172 HydrophobicContact CB-CD1 4.21Å; C170-I172 HydrophobicContact CB-CG1 4.06Å; C170-E176 CarbonylContact O-C 3.51Å; C170-E176 WeakPolarHBondContact O-CA 3.06Å; C170-V177 PolarHBondContact N-O 3.29Å; C170-V177 PolarHBondContact O-N 2.83Å; C170-C192 HydrophobicContact CB-CB 3.65Å; C170-C192 WeakPolarHBondContact CB-SG 3.28Å; C170-C192 PolarHBondContact N-SG 2.04Å; C170-C192 WeakPolarHBondContact SG-CA 3.26Å; C170-C192 WeakPolarHBondContact SG-CB 3.46Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 3.24Å; C170-V200 WeakPolarHBondContact SG-CG2 3.48Å; C170-I202 HydrophobicContact CB-CD1 4.13Å; C170-I202 HydrophobicContact CB-CG1 3.75Å |
| 171 | I | 96.2 | Very high | 96 | Very high | 43 Ų | 43 | 64.8 Ų | 64.8 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 105 | 169.6 | -55.4 | 170.2 | 0 | 0 | 0 | 106.6 | S151 L153 Q175 | S151-I171 PolarHBondContact O-N 3.14Å; L153-I171 HydrophobicContact CD1-CG1 4.5Å; L153-I171 HydrophobicContact CD2-CD1 3.82Å; L153-I171 HydrophobicContact CD2-CG1 3.87Å; L153-I171 HydrophobicContact CG-CD1 4.37Å; L153-I171 HydrophobicContact CG-CG1 3.92Å; I171-Q175 CarbonylContact C-O 3.53Å; I171-Q175 WeakPolarHBondContact CA-O 3.38Å |
| 172 | I | 95.1 | Very high | 96.1 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 116.4 | -177.8 | -57.9 | 169.8 | 0 | 0 | 0 | 107.6 | C170 K174 Q175 V177 V183 I185 Y190 I202 | C170-I172 HydrophobicContact CB-CD1 4.21Å; C170-I172 HydrophobicContact CB-CG1 4.06Å; I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 2.93Å; I172-Q175 PolarHBondContact N-O 3.25Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 2.83Å; I172-V177 HydrophobicContact CB-CG2 4.34Å; I172-V177 HydrophobicContact CD1-CB 4.23Å; I172-V177 HydrophobicContact CD1-CG1 4.45Å; I172-V177 HydrophobicContact CD1-CG2 4.09Å; I172-V177 HydrophobicContact CG1-CG2 4.42Å; I172-V183 HydrophobicContact CB-CG1 4.09Å; I172-V183 HydrophobicContact CD1-CG1 3.99Å; I172-V183 HydrophobicContact CG2-CG1 3.9Å; I172-I185 HydrophobicContact CG2-CG1 3.95Å; I172-Y190 HydrophobicContact CG2-CD2 4.36Å; I172-Y190 HydrophobicContact CG2-CG 4.16Å; I172-I202 HydrophobicContact CD1-CG1 4.2Å; I172-I202 HydrophobicContact CD1-CG2 3.95Å; I172-I202 HydrophobicContact CG1-CD1 3.84Å; I172-I202 HydrophobicContact CG1-CG1 3.91Å; I172-I202 HydrophobicContact CG1-CG2 4Å |
| 173 | N | 93.8 | Very high | 96 | Very high | 117 Ų | 117 | 58.7 Ų | 58.7 | 63% | 0.626 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 47.2 | -175.4 | -168.3 | 42.7 | 0 | 0 | 0 | 113.2 | Q175 I185 | N173-Q175 PolarHBondContact O-N 2.87Å; N173-Q175 VanDerWaalsContact O-N 3.14Å; N173-I185 HydrophobicContact CB-CD1 3.69Å; N173-I185 HydrophobicContact CB-CG1 4.12Å; N173-I185 HydrophobicContact CB-CG2 3.95Å |
| 174 | K | 93.6 | Very high | 96 | Very high | 201 Ų | 201 | 61.2 Ų | 61.2 | 87% | 0.874 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 6.6 | -176.5 | -50.4 | 176.7 | 179.5 | 178 | 0 | 115.4 | I172 | I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 2.93Å |
| 175 | Q | 95.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.1 | 173.6 | -176.8 | 174.4 | -0.7 | 0 | 0 | 110.6 | I171 I172 N173 V177 V183 | I171-Q175 CarbonylContact C-O 3.53Å; I171-Q175 WeakPolarHBondContact CA-O 3.38Å; I172-Q175 PolarHBondContact N-O 3.25Å; I172-Q175 WeakPolarHBondContact O-CB 3.46Å; I172-Q175 PolarHBondContact O-N 2.83Å; N173-Q175 PolarHBondContact O-N 2.87Å; N173-Q175 VanDerWaalsContact O-N 3.14Å; Q175-V177 HydrophobicContact CG-CG2 4.41Å; Q175-V183 VanDerWaalsContact OE1-CG2 3.28Å |
| 176 | E | 96.9 | Very high | 95.9 | Very high | 136 Ų | 136 | 64.2 Ų | 64.2 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 130.5 | 171.2 | -58.3 | -168.6 | 173 | 0 | 0 | 110.4 | L153 C170 | L153-E176 HydrophobicContact CD1-CB 3.84Å; L153-E176 HydrophobicContact CD1-CG 3.79Å; C170-E176 CarbonylContact O-C 3.51Å; C170-E176 WeakPolarHBondContact O-CA 3.06Å |
| 177 | V | 97.6 | Very high | 96 | Very high | 9 Ų | 9 | 65.4 Ų | 65.4 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 117.1 | -177.1 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | G169 C170 I172 Q175 K181 V183 C192 | G169-V177 CarbonylContact C-O 3.48Å; G169-V177 VanDerWaalsContact CA-O 3.28Å; G169-V177 WeakPolarHBondContact CA-O 3.21Å; C170-V177 PolarHBondContact N-O 3.29Å; C170-V177 PolarHBondContact O-N 2.83Å; I172-V177 HydrophobicContact CB-CG2 4.34Å; I172-V177 HydrophobicContact CD1-CB 4.23Å; I172-V177 HydrophobicContact CD1-CG1 4.45Å; I172-V177 HydrophobicContact CD1-CG2 4.09Å; I172-V177 HydrophobicContact CG1-CG2 4.42Å; Q175-V177 HydrophobicContact CG-CG2 4.41Å; V177-K181 HydrophobicContact CG1-CB 3.89Å; V177-V183 HydrophobicContact CG2-CB 4.1Å; V177-V183 HydrophobicContact CG2-CG1 3.86Å; V177-C192 HydrophobicContact CB-CB 4.45Å; V177-C192 HydrophobicContact CG1-CB 4.03Å |
| 178 | D | 97.5 | Very high | 96.1 | Very high | 106 Ų | 106 | 67 Ų | 67 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 153.1 | 177.1 | -62.6 | -28.6 | 0 | 0 | 0 | 111.8 | H180 K181 | D178-H180 PolarHBondContact O-N 3.12Å; D178-K181 HydrophobicContact CB-CB 4.43Å; D178-K181 HydrophobicContact CB-CG 3.74Å; D178-K181 VanDerWaalsContact O-CB 3.29Å; D178-K181 WeakPolarHBondContact O-CB 3.15Å; D178-K181 PolarHBondContact O-N 2.7Å |
| 179 | I | 95.3 | Very high | 96.2 | Very high | 27 Ų | 27 | 65.9 Ų | 65.9 | 14% | 0.138 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 138.5 | 174 | -60.2 | 174.4 | 0 | 0 | 0 | 110.2 | A167 V168 K181 R194 V200 | A167-I179 HydrophobicContact CB-CD1 4.2Å; A167-I179 VanDerWaalsContact O-CD1 3.29Å; A167-I179 WeakPolarHBondContact O-CD1 3.48Å; V168-I179 WeakPolarHBondContact O-CG1 3.01Å; I179-K181 PolarHBondContact O-N 3.32Å; I179-R194 HydrophobicContact CG2-CG 3.64Å; I179-V200 HydrophobicContact CG1-CG2 4.44Å |
| 180 | H | 95.2 | Very high | 96.1 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 45% | 0.454 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | -2.4 | -173.6 | -53.2 | -61.4 | 0 | 0 | 0 | 115.9 | D178 R191 C192 | D178-H180 PolarHBondContact O-N 3.12Å; H180-R191 PolarHBondContact O-NE 3.01Å; H180-C192 VanDerWaalsContact CA-O 3.24Å; H180-C192 WeakPolarHBondContact CA-O 3.35Å; H180-C192 PolarHBondContact N-O 2.82Å |
| 181 | K | 97.8 | Very high | 96.1 | Very high | 128 Ų | 128 | 71.4 Ų | 71.4 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | trans | -87.6 | 162.3 | 173.9 | -57.8 | -61.1 | -175 | 175.3 | 0 | 111.8 | V177 D178 I179 R191 C192 | V177-K181 HydrophobicContact CG1-CB 3.89Å; D178-K181 HydrophobicContact CB-CB 4.43Å; D178-K181 HydrophobicContact CB-CG 3.74Å; D178-K181 VanDerWaalsContact O-CB 3.29Å; D178-K181 WeakPolarHBondContact O-CB 3.15Å; D178-K181 PolarHBondContact O-N 2.7Å; I179-K181 PolarHBondContact O-N 3.32Å; K181-R191 WeakPolarHBondContact O-CA 3.5Å; K181-R191 WeakPolarHBondContact O-CG 3.41Å; K181-C192 PolarHBondContact O-N 3Å | ||
| 182 | S | 96.6 | Very high | 96.1 | Very high | 31 Ų | 31 | 69.3 Ų | 69.3 | 22% | 0.217 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 145.1 | -175.4 | -67.4 | 0 | 0 | 0 | 0 | 112 | W189 Y190 R191 R214 | S182-W189 WeakPolarHBondContact OG-CZ3 3.45Å; S182-Y190 CarbonylContact C-O 3.52Å; S182-Y190 WeakPolarHBondContact CA-O 2.96Å; S182-Y190 WeakPolarHBondContact CB-O 3.24Å; S182-Y190 PolarHBondContact OG-O 3.41Å; S182-R191 WeakPolarHBondContact OG-CB 3.38Å; S182-R191 WeakPolarHBondContact OG-CG 3.43Å; S182-R214 PolarHBondContact O-NH2 3.43Å |
| 183 | V | 97.2 | Very high | 96.1 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.7 | -177.7 | 63.9 | 0 | 0 | 0 | 0 | 110.4 | I172 Q175 V177 I185 W189 Y190 | I172-V183 HydrophobicContact CB-CG1 4.09Å; I172-V183 HydrophobicContact CD1-CG1 3.99Å; I172-V183 HydrophobicContact CG2-CG1 3.9Å; Q175-V183 VanDerWaalsContact OE1-CG2 3.28Å; V177-V183 HydrophobicContact CG2-CB 4.1Å; V177-V183 HydrophobicContact CG2-CG1 3.86Å; V183-I185 HydrophobicContact CG1-CD1 4.34Å; V183-I185 HydrophobicContact CG1-CG1 4.13Å; V183-I185 HydrophobicContact CG2-CD1 3.88Å; V183-I185 HydrophobicContact CG2-CG1 4.4Å; V183-W189 CarbonylContact O-C 3.56Å; V183-W189 VanDerWaalsContact O-CA 3.24Å; V183-W189 WeakPolarHBondContact O-CA 3.29Å; V183-W189 WeakPolarHBondContact O-CB 3.28Å; V183-Y190 PolarHBondContact N-O 3.01Å; V183-Y190 PolarHBondContact O-N 2.82Å |
| 184 | N | 97 | Very high | 96.1 | Very high | 59 Ų | 59 | 71.1 Ų | 71.1 | 32% | 0.316 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.9 | 174.5 | -63.5 | 6.8 | 0 | 0 | 0 | 108.6 | V208 G212 R214 | N184-V208 HydrophobicContact CB-CG2 4.16Å; N184-G212 PolarHBondContact ND2-O 2.94Å; N184-R214 PolarHBondContact OD1-NE 2.81Å; N184-R214 PolarHBondContact OD1-NH2 2.83Å |
| 185 | I | 95.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.185 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 107.9 | 175.8 | -54.4 | -63.2 | 0 | 0 | 0 | 108.3 | I172 N173 V183 K187 F188 Y190 | I172-I185 HydrophobicContact CG2-CG1 3.95Å; N173-I185 HydrophobicContact CB-CD1 3.69Å; N173-I185 HydrophobicContact CB-CG1 4.12Å; N173-I185 HydrophobicContact CB-CG2 3.95Å; V183-I185 HydrophobicContact CG1-CD1 4.34Å; V183-I185 HydrophobicContact CG1-CG1 4.13Å; V183-I185 HydrophobicContact CG2-CD1 3.88Å; V183-I185 HydrophobicContact CG2-CG1 4.4Å; I185-K187 PolarHBondContact O-N 2.99Å; I185-F188 CarbonylContact C-O 3.52Å; I185-F188 PolarHBondContact N-O 2.88Å; I185-F188 PolarHBondContact O-N 2.82Å; I185-F188 VanDerWaalsContact O-O 3.05Å; I185-Y190 HydrophobicContact CB-CD2 4.01Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.01Å; I185-Y190 HydrophobicContact CG1-CE2 4.27Å |
| 186 | G | 94.8 | Very high | 95.5 | Very high | 69 Ų | 69 | 63.9 Ų | 63.9 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | -128.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | F188 | G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3Å |
| 187 | K | 96.2 | Very high | 94.7 | Very high | 136 Ų | 136 | 65.2 Ų | 65.2 | 59% | 0.591 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 8.8 | -177.9 | -60.5 | -173.3 | 178.2 | -176.7 | 0 | 114.2 | I185 C207 V208 I239 | I185-K187 PolarHBondContact O-N 2.99Å; K187-C207 CarbonylContact O-C 3.5Å; K187-C207 WeakPolarHBondContact O-CA 3.36Å; K187-V208 PolarHBondContact O-N 3.04Å; K187-I239 HydrophobicContact CB-CD1 3.78Å; K187-I239 HydrophobicContact CD-CD1 4.19Å |
| 188 | F | 96.9 | Very high | 93.9 | Very high | 45 Ų | 45 | 66.3 Ų | 66.3 | 20% | 0.197 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 157.9 | -175.4 | -55.7 | -74.8 | 0 | 0 | 0 | 110.6 | I185 G186 Y190 V204 G206 V208 L237 I239 | I185-F188 CarbonylContact C-O 3.52Å; I185-F188 PolarHBondContact N-O 2.88Å; I185-F188 PolarHBondContact O-N 2.82Å; I185-F188 VanDerWaalsContact O-O 3.05Å; G186-F188 VanDerWaalsContact C-N 3.27Å; G186-F188 PolarHBondContact O-N 3Å; F188-Y190 HydrophobicContact CB-CE2 3.83Å; F188-V204 HydrophobicContact CB-CG2 4.16Å; F188-G206 WeakPolarHBondContact CA-O 3.35Å; F188-V208 VanDerWaalsContact C-CG2 3.49Å; F188-L237 HydrophobicContact CD1-CB 4.01Å; F188-L237 HydrophobicContact CD1-CD1 4.45Å; F188-L237 HydrophobicContact CE1-CB 3.72Å; F188-I239 HydrophobicContact CE1-CG1 4.39Å |
| 189 | W | 96.9 | Very high | 93.5 | Very high | 15 Ų | 15 | 61.3 Ų | 61.3 | 6% | 0.057 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 144.8 | 171.9 | 67.5 | -80.4 | 0 | 0 | 0 | 110.5 | S182 V183 M205 G206 V208 R214 V215 H216 | S182-W189 WeakPolarHBondContact OG-CZ3 3.45Å; V183-W189 CarbonylContact O-C 3.56Å; V183-W189 VanDerWaalsContact O-CA 3.24Å; V183-W189 WeakPolarHBondContact O-CA 3.29Å; V183-W189 WeakPolarHBondContact O-CB 3.28Å; W189-M205 HydrophobicContact CD2-CB 3.69Å; W189-M205 HydrophobicContact CE3-CB 3.52Å; W189-M205 HydrophobicContact CE3-CG 3.87Å; W189-M205 HydrophobicContact CH2-CB 3.15Å; W189-M205 HydrophobicContact CH2-CE 4.35Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.29Å; W189-M205 HydrophobicContact CZ2-CG 4.32Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 2.88Å; W189-G206 PolarHBondContact N-O 3.31Å; W189-G206 VanDerWaalsContact NE1-CA 3.34Å; W189-V208 HydrophobicContact CB-CG2 3.76Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; W189-R214 HydrophobicContact CB-CG 4.17Å; W189-R214 HydrophobicContact CD2-CB 4.22Å; W189-R214 HydrophobicContact CD2-CG 4Å; W189-R214 HydrophobicContact CG-CB 4.18Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-R214 HydrophobicContact CZ2-CB 4.47Å; W189-V215 PolarHBondContact NE1-O 3.14Å; W189-H216 AromaticContact CH2-CE1 3.77Å; W189-H216 AromaticContact CZ2-CE1 3.67Å; W189-H216 AromaticContact CZ2-ND1 3.64Å |
| 190 | Y | 96.2 | Very high | 93.4 | Very high | 28 Ų | 28 | 60 Ų | 60 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 155.2 | -171.1 | -61.4 | -97.6 | 0 | 0 | 0 | 109.4 | I172 S182 V183 I185 F188 I202 E203 V204 | I172-Y190 HydrophobicContact CG2-CD2 4.36Å; I172-Y190 HydrophobicContact CG2-CG 4.16Å; S182-Y190 CarbonylContact C-O 3.52Å; S182-Y190 WeakPolarHBondContact CA-O 2.96Å; S182-Y190 WeakPolarHBondContact CB-O 3.24Å; S182-Y190 PolarHBondContact OG-O 3.41Å; V183-Y190 PolarHBondContact N-O 3.01Å; V183-Y190 PolarHBondContact O-N 2.82Å; I185-Y190 HydrophobicContact CB-CD2 4.01Å; I185-Y190 HydrophobicContact CB-CE2 3.79Å; I185-Y190 HydrophobicContact CG1-CD2 4.01Å; I185-Y190 HydrophobicContact CG1-CE2 4.27Å; F188-Y190 HydrophobicContact CB-CE2 3.83Å; Y190-I202 HydrophobicContact CD1-CG2 4.08Å; Y190-E203 CarbonylContact C-O 3.59Å; Y190-E203 WeakPolarHBondContact CA-O 3.28Å; Y190-V204 HydrophobicContact CD1-CB 3.96Å; Y190-V204 HydrophobicContact CD1-CG2 4.31Å; Y190-V204 HydrophobicContact CE1-CB 3.77Å; Y190-V204 HydrophobicContact CE1-CG2 3.93Å |
| 191 | R | 95.8 | Very high | 93.4 | Very high | 89 Ų | 89 | 56.2 Ų | 56.2 | 34% | 0.336 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.1 | 173.2 | -170.5 | 176.4 | -164.4 | -174.9 | 1.3 | 110 | H180 K181 S182 E203 M205 | H180-R191 PolarHBondContact O-NE 3.01Å; K181-R191 WeakPolarHBondContact O-CA 3.5Å; K181-R191 WeakPolarHBondContact O-CG 3.41Å; S182-R191 WeakPolarHBondContact OG-CB 3.38Å; S182-R191 WeakPolarHBondContact OG-CG 3.43Å; R191-E203 PolarHBondContact N-O 2.82Å; R191-E203 PolarHBondContact O-N 3.35Å; R191-M205 HydrophobicContact CB-CG 3.48Å; R191-M205 VanDerWaalsContact CB-CG 3.48Å; R191-M205 HydrophobicContact CB-SD 3.89Å |
| 192 | C | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 113.6 | 165 | -171.5 | 0 | 0 | 0 | 0 | 108 | G169 C170 V177 H180 K181 V200 | G169-C192 VanDerWaalsContact C-SG 3.56Å; C170-C192 HydrophobicContact CB-CB 3.65Å; C170-C192 WeakPolarHBondContact CB-SG 3.28Å; C170-C192 PolarHBondContact N-SG 2.04Å; C170-C192 WeakPolarHBondContact SG-CA 3.26Å; C170-C192 WeakPolarHBondContact SG-CB 3.46Å; C170-C192 CovalentContact SG-SG 2.04Å; C170-C192 PolarHBondContact SG-SG 3.24Å; V177-C192 HydrophobicContact CB-CB 4.45Å; V177-C192 HydrophobicContact CG1-CB 4.03Å; H180-C192 VanDerWaalsContact CA-O 3.24Å; H180-C192 WeakPolarHBondContact CA-O 3.35Å; H180-C192 PolarHBondContact N-O 2.82Å; K181-C192 PolarHBondContact O-N 3Å; C192-V200 VanDerWaalsContact SG-CG2 3.57Å |
| 193 | S | 95.2 | Very high | 93.1 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 7% | 0.07 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 153.3 | -172.6 | -70.2 | 0 | 0 | 0 | 0 | 111 | V200 Q201 E203 | S193-V200 CarbonylContact O-C 3.52Å; S193-V200 WeakPolarHBondContact O-CA 3.32Å; S193-Q201 PolarHBondContact N-O 3.48Å; S193-Q201 PolarHBondContact O-N 2.9Å; S193-E203 VanDerWaalsContact CB-OE2 3.31Å; S193-E203 WeakPolarHBondContact CB-OE2 3.27Å; S193-E203 PolarHBondContact OG-OE2 2.9Å |
| 194 | R | 93.7 | Very high | 93 | Very high | 156 Ų | 156 | 52 Ų | 52 | 59% | 0.589 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 144.6 | 168.8 | -71.1 | -167.9 | 176.4 | -170 | 1.2 | 110 | I179 G199 | I179-R194 HydrophobicContact CG2-CG 3.64Å; R194-G199 WeakPolarHBondContact CA-O 3.01Å |
| 195 | Y | 89.3 | Confident | 92.9 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 114.3 | 175.9 | 179.2 | -106.9 | 0 | 0 | 0 | 110.8 | K23 L25 G199 | K23-Y195 HydrophobicContact CB-CD1 4.33Å; K23-Y195 HydrophobicContact CD-CD1 3.89Å; K23-Y195 HydrophobicContact CD-CD2 3.95Å; K23-Y195 HydrophobicContact CD-CE1 3.68Å; K23-Y195 HydrophobicContact CD-CE2 3.76Å; K23-Y195 HydrophobicContact CD-CG 4Å; L25-Y195 HydrophobicContact CD2-CD1 4.21Å; L25-Y195 HydrophobicContact CD2-CE1 4.34Å; Y195-G199 PolarHBondContact N-O 3.32Å; Y195-G199 CarbonylContact O-C 3.55Å; Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.97Å |
| 196 | G | 86.3 | Confident | 93 | Very high | 60 Ų | 60 | 49.7 Ų | 49.7 | 62% | 0.619 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | -150 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G198 | G196-G198 VanDerWaalsContact C-N 3.29Å; G196-G198 PolarHBondContact O-N 2.85Å |
| 197 | N | 80.9 | Confident | 93.1 | Very high | 164 Ų | 164 | 46.4 Ų | 46.4 | 88% | 0.877 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 75.7 | -178 | -76.5 | -11.7 | 0 | 0 | 0 | 112.1 | ||
| 198 | G | 80.8 | Confident | 93.2 | Very high | 32 Ų | 32 | 40.5 Ų | 40.5 | 33% | 0.33 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -7.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T26 G196 | T26-G198 WeakPolarHBondContact CG2-O 3.43Å; G196-G198 VanDerWaalsContact C-N 3.29Å; G196-G198 PolarHBondContact O-N 2.85Å |
| 199 | G | 88.7 | Confident | 93.2 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 166.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C24 R194 Y195 | C24-G199 WeakPolarHBondContact O-CA 3.15Å; R194-G199 WeakPolarHBondContact CA-O 3.01Å; Y195-G199 PolarHBondContact N-O 3.32Å; Y195-G199 CarbonylContact O-C 3.55Å; Y195-G199 WeakPolarHBondContact O-CA 3Å; Y195-G199 PolarHBondContact O-N 2.97Å |
| 200 | V | 94.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 146.9 | 177.7 | 56.8 | 0 | 0 | 0 | 0 | 109.2 | K23 C24 F152 F154 A167 C170 I179 C192 S193 | K23-V200 WeakPolarHBondContact CA-O 2.89Å; C24-V200 HydrophobicContact CB-CG1 4.47Å; C24-V200 PolarHBondContact N-O 3.41Å; C24-V200 PolarHBondContact O-N 2.63Å; F152-V200 HydrophobicContact CB-CG1 3.96Å; F152-V200 HydrophobicContact CD1-CB 4.1Å; F152-V200 HydrophobicContact CD1-CG1 3.31Å; F152-V200 HydrophobicContact CD1-CG2 3.79Å; F152-V200 HydrophobicContact CE1-CB 4.44Å; F152-V200 HydrophobicContact CE1-CG1 3.97Å; F152-V200 HydrophobicContact CE1-CG2 4.08Å; F152-V200 HydrophobicContact CG-CG1 3.75Å; F154-V200 HydrophobicContact CZ-CG1 4.12Å; A167-V200 HydrophobicContact CB-CB 3.78Å; A167-V200 HydrophobicContact CB-CG1 3.65Å; C170-V200 WeakPolarHBondContact SG-CG2 3.48Å; I179-V200 HydrophobicContact CG1-CG2 4.44Å; C192-V200 VanDerWaalsContact SG-CG2 3.57Å; S193-V200 CarbonylContact O-C 3.52Å; S193-V200 WeakPolarHBondContact O-CA 3.32Å |
| 201 | Q | 95 | Very high | 93.1 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 9% | 0.089 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.5 | 178.1 | 68.1 | -173.8 | 7 | 0 | 0 | 112.1 | S21 E22 K23 S193 E203 | S21-Q201 PolarHBondContact OG-OE1 2.83Å; E22-Q201 WeakPolarHBondContact O-CA 3.39Å; E22-Q201 VanDerWaalsContact O-CB 3.28Å; E22-Q201 WeakPolarHBondContact O-CB 3.33Å; K23-Q201 HydrophobicContact CB-CB 4.41Å; K23-Q201 HydrophobicContact CG-CB 3.87Å; S193-Q201 PolarHBondContact N-O 3.48Å; S193-Q201 PolarHBondContact O-N 2.9Å; Q201-E203 HydrophobicContact CG-CG 4.11Å; Q201-E203 PolarHBondContact NE2-OE1 3.1Å |
| 202 | I | 95.1 | Very high | 93.1 | Very high | 20 Ų | 20 | 44 Ų | 44 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.5 | 170.3 | -64.7 | 162.1 | 0 | 0 | 0 | 107.1 | S21 E22 F152 C170 I172 Y190 | S21-I202 WeakPolarHBondContact CA-O 3.41Å; E22-I202 PolarHBondContact O-N 2.89Å; E22-I202 VanDerWaalsContact O-N 3.12Å; F152-I202 HydrophobicContact CE1-CD1 4.12Å; F152-I202 HydrophobicContact CE1-CG1 3.83Å; F152-I202 HydrophobicContact CZ-CD1 4.19Å; F152-I202 HydrophobicContact CZ-CG1 4.18Å; C170-I202 HydrophobicContact CB-CD1 4.13Å; C170-I202 HydrophobicContact CB-CG1 3.75Å; I172-I202 HydrophobicContact CD1-CG1 4.2Å; I172-I202 HydrophobicContact CD1-CG2 3.95Å; I172-I202 HydrophobicContact CG1-CD1 3.84Å; I172-I202 HydrophobicContact CG1-CG1 3.91Å; I172-I202 HydrophobicContact CG1-CG2 4Å; Y190-I202 HydrophobicContact CD1-CG2 4.08Å |
| 203 | E | 92.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 135.2 | 177 | -67.9 | 167.3 | 165.7 | 0 | 0 | 109.5 | Y190 R191 S193 Q201 M205 | Y190-E203 CarbonylContact C-O 3.59Å; Y190-E203 WeakPolarHBondContact CA-O 3.28Å; R191-E203 PolarHBondContact N-O 2.82Å; R191-E203 PolarHBondContact O-N 3.35Å; S193-E203 VanDerWaalsContact CB-OE2 3.31Å; S193-E203 WeakPolarHBondContact CB-OE2 3.27Å; S193-E203 PolarHBondContact OG-OE2 2.9Å; Q201-E203 HydrophobicContact CG-CG 4.11Å; Q201-E203 PolarHBondContact NE2-OE1 3.1Å; E203-M205 HydrophobicContact CB-SD 3.72Å |
| 204 | V | 94.6 | Very high | 93.2 | Very high | 12 Ų | 12 | 55.7 Ų | 55.7 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 117.1 | 162.2 | 63.9 | 0 | 0 | 0 | 0 | 107.7 | H20 F188 Y190 L237 | H20-V204 WeakPolarHBondContact ND1-CG1 2.99Å; F188-V204 HydrophobicContact CB-CG2 4.16Å; Y190-V204 HydrophobicContact CD1-CB 3.96Å; Y190-V204 HydrophobicContact CD1-CG2 4.31Å; Y190-V204 HydrophobicContact CE1-CB 3.77Å; Y190-V204 HydrophobicContact CE1-CG2 3.93Å; V204-L237 HydrophobicContact CG1-CD1 4.33Å; V204-L237 HydrophobicContact CG1-CG 4.09Å; V204-L237 HydrophobicContact CG2-CD1 3.67Å; V204-L237 HydrophobicContact CG2-CG 4.09Å |
| 205 | M | 95.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 22% | 0.222 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -19 | -171.5 | -62.7 | -60.7 | -55.6 | 0 | 0 | 113 | W189 R191 E203 A217 | W189-M205 HydrophobicContact CD2-CB 3.69Å; W189-M205 HydrophobicContact CE3-CB 3.52Å; W189-M205 HydrophobicContact CE3-CG 3.87Å; W189-M205 HydrophobicContact CH2-CB 3.15Å; W189-M205 HydrophobicContact CH2-CE 4.35Å; W189-M205 HydrophobicContact CH2-CG 3.7Å; W189-M205 HydrophobicContact CZ2-CB 3.29Å; W189-M205 HydrophobicContact CZ2-CG 4.32Å; W189-M205 HydrophobicContact CZ3-CB 3.27Å; W189-M205 HydrophobicContact CZ3-CG 3.43Å; W189-M205 VanDerWaalsContact CZ3-CG 3.43Å; W189-M205 PolarHBondContact O-N 2.88Å; R191-M205 HydrophobicContact CB-CG 3.48Å; R191-M205 VanDerWaalsContact CB-CG 3.48Å; R191-M205 HydrophobicContact CB-SD 3.89Å; E203-M205 HydrophobicContact CB-SD 3.72Å; M205-A217 PolarHBondContact O-N 3.07Å; M205-A217 VanDerWaalsContact O-N 3.08Å |
| 206 | G | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | -166.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | F188 W189 V215 | F188-G206 WeakPolarHBondContact CA-O 3.35Å; W189-G206 PolarHBondContact N-O 3.31Å; W189-G206 VanDerWaalsContact NE1-CA 3.34Å; G206-V215 CarbonylContact C-O 3.5Å; G206-V215 WeakPolarHBondContact CA-O 3.41Å |
| 207 | C | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 160.1 | -175 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | K187 V215 F221 C230 I239 | K187-C207 CarbonylContact O-C 3.5Å; K187-C207 WeakPolarHBondContact O-CA 3.36Å; C207-V215 PolarHBondContact N-O 3.21Å; C207-V215 PolarHBondContact O-N 2.85Å; C207-F221 HydrophobicContact CB-CE1 4.35Å; C207-F221 HydrophobicContact CB-CZ 4.48Å; C207-C230 HydrophobicContact CB-CB 3.72Å; C207-C230 WeakPolarHBondContact CB-SG 3.5Å; C207-C230 PolarHBondContact N-SG 3.27Å; C207-C230 WeakPolarHBondContact SG-CA 3.44Å; C207-C230 WeakPolarHBondContact SG-CB 3.1Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.92Å; C207-I239 HydrophobicContact CB-CD1 3.91Å; C207-I239 HydrophobicContact CB-CG1 3.89Å; C207-I239 WeakPolarHBondContact SG-CG1 3.39Å |
| 208 | V | 97.6 | Very high | 95 | Very high | 13 Ų | 13 | 43.1 Ų | 43.1 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125.1 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | N184 K187 F188 W189 R213 | N184-V208 HydrophobicContact CB-CG2 4.16Å; K187-V208 PolarHBondContact O-N 3.04Å; F188-V208 VanDerWaalsContact C-CG2 3.49Å; W189-V208 HydrophobicContact CB-CG2 3.76Å; W189-V208 HydrophobicContact CG-CG2 4.26Å; V208-R213 WeakPolarHBondContact CA-O 3.49Å |
| 209 | D | 96 | Very high | 95.8 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -78.7 | 175.6 | 177.8 | 75.5 | 3.9 | 0 | 0 | 0 | 112.4 | H211 G212 R213 F221 D223 | D209-H211 PolarHBondContact O-N 2.77Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CA 3.34Å; D209-H211 WeakPolarHBondContact OD1-CB 3.48Å; D209-H211 PolarHBondContact OD1-N 3.14Å; D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 PolarHBondContact OD1-N 2.73Å; D209-R213 PolarHBondContact N-O 3.25Å; D209-R213 VanDerWaalsContact N-O 3.1Å; D209-R213 WeakPolarHBondContact OD1-CB 3.34Å; D209-R213 PolarHBondContact OD1-N 3.12Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 IonicContact OD2-CZ 3.89Å; D209-R213 IonicContact OD2-NE 2.64Å; D209-R213 PolarHBondContact OD2-NE 2.82Å; D209-R213 IonicContact OD2-NH2 3.44Å; D209-R213 PolarHBondContact OD2-NH2 3Å; D209-F221 HydrophobicContact CB-CD2 3.88Å; D209-F221 HydrophobicContact CB-CE2 3.83Å; D209-D223 HydrophobicContact CB-CB 4.4Å | ||
| 210 | S | 95.6 | Very high | 96.2 | Very high | 66 Ų | 66 | 50.1 Ų | 50.1 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -18.3 | -179.4 | 74.1 | 0 | 0 | 0 | 0 | 114.3 | D223 | S210-D223 VanDerWaalsContact CB-OD1 3.26Å; S210-D223 WeakPolarHBondContact CB-OD1 3.47Å; S210-D223 WeakPolarHBondContact CB-OD2 3.49Å; S210-D223 PolarHBondContact N-OD2 2.77Å; S210-D223 PolarHBondContact OG-OD1 3.38Å |
| 211 | H | 95.5 | Very high | 96.3 | Very high | 137 Ų | 137 | 50.8 Ų | 50.8 | 63% | 0.634 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | 2.5 | 176.3 | -59.4 | -58.1 | 0 | 0 | 0 | 113.2 | D209 R213 | D209-H211 PolarHBondContact O-N 2.77Å; D209-H211 VanDerWaalsContact O-N 3.1Å; D209-H211 WeakPolarHBondContact OD1-CA 3.34Å; D209-H211 WeakPolarHBondContact OD1-CB 3.48Å; D209-H211 PolarHBondContact OD1-N 3.14Å; H211-R213 VanDerWaalsContact C-N 3.32Å; H211-R213 HydrophobicContact CB-CG 4.32Å |
| 212 | G | 96.1 | Very high | 96.3 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | trans | 80.8 | 7.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | N184 D209 | N184-G212 PolarHBondContact ND2-O 2.94Å; D209-G212 PolarHBondContact O-N 3.35Å; D209-G212 PolarHBondContact OD1-N 2.73Å | ||
| 213 | R | 97.2 | Very high | 96.2 | Very high | 138 Ų | 138 | 53.3 Ų | 53.3 | 52% | 0.521 | 28% | 0.275 | S | S | . | . | trans | -76.1 | 139.7 | 178.7 | -56.5 | 180 | -64.2 | -176.5 | 2.2 | 109.9 | V208 D209 H211 H222 | V208-R213 WeakPolarHBondContact CA-O 3.49Å; D209-R213 PolarHBondContact N-O 3.25Å; D209-R213 VanDerWaalsContact N-O 3.1Å; D209-R213 WeakPolarHBondContact OD1-CB 3.34Å; D209-R213 PolarHBondContact OD1-N 3.12Å; D209-R213 IonicContact OD1-NE 3.36Å; D209-R213 IonicContact OD2-CZ 3.89Å; D209-R213 IonicContact OD2-NE 2.64Å; D209-R213 PolarHBondContact OD2-NE 2.82Å; D209-R213 IonicContact OD2-NH2 3.44Å; D209-R213 PolarHBondContact OD2-NH2 3Å; H211-R213 VanDerWaalsContact C-N 3.32Å; H211-R213 HydrophobicContact CB-CG 4.32Å; R213-H222 PolarHBondContact NH2-O 3.25Å | ||
| 214 | R | 97.8 | Very high | 96 | Very high | 118 Ų | 118 | 57 Ų | 57 | 45% | 0.445 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 126.8 | -179.8 | -67.9 | 176.2 | 177.8 | 164.6 | -0.8 | 110.1 | S182 N184 W189 | S182-R214 PolarHBondContact O-NH2 3.43Å; N184-R214 PolarHBondContact OD1-NE 2.81Å; N184-R214 PolarHBondContact OD1-NH2 2.83Å; W189-R214 HydrophobicContact CB-CG 4.17Å; W189-R214 HydrophobicContact CD2-CB 4.22Å; W189-R214 HydrophobicContact CD2-CG 4Å; W189-R214 HydrophobicContact CG-CB 4.18Å; W189-R214 HydrophobicContact CG-CG 3.75Å; W189-R214 HydrophobicContact CZ2-CB 4.47Å |
| 215 | V | 97.8 | Very high | 95.6 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 130.3 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | W189 G206 C207 A219 F221 C230 | W189-V215 PolarHBondContact NE1-O 3.14Å; G206-V215 CarbonylContact C-O 3.5Å; G206-V215 WeakPolarHBondContact CA-O 3.41Å; C207-V215 PolarHBondContact N-O 3.21Å; C207-V215 PolarHBondContact O-N 2.85Å; V215-A219 HydrophobicContact CG1-CB 3.73Å; V215-F221 HydrophobicContact CB-CB 4.45Å; V215-F221 HydrophobicContact CB-CD1 4.2Å; V215-F221 HydrophobicContact CB-CG 4.34Å; V215-F221 HydrophobicContact CG1-CB 3.98Å; V215-F221 HydrophobicContact CG1-CD1 3.69Å; V215-F221 HydrophobicContact CG1-CE1 4.45Å; V215-F221 HydrophobicContact CG1-CG 4.06Å; V215-F221 HydrophobicContact CG2-CB 3.66Å; V215-F221 HydrophobicContact CG2-CD1 4.06Å; V215-F221 HydrophobicContact CG2-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CG 3.69Å; V215-C230 HydrophobicContact CG1-CB 4.28Å |
| 216 | H | 97.5 | Very high | 95.5 | Very high | 117 Ų | 117 | 60.4 Ų | 60.4 | 54% | 0.542 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 152.9 | 178.4 | -75.3 | -77.5 | 0 | 0 | 0 | 111.8 | W189 A219 | W189-H216 AromaticContact CH2-CE1 3.77Å; W189-H216 AromaticContact CZ2-CE1 3.67Å; W189-H216 AromaticContact CZ2-ND1 3.64Å; H216-A219 VanDerWaalsContact O-CB 3.28Å; H216-A219 WeakPolarHBondContact O-CB 3.01Å; H216-A219 PolarHBondContact O-N 3.01Å; H216-A219 VanDerWaalsContact O-N 3.11Å |
| 217 | A | 96.1 | Very high | 95.5 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 24% | 0.24 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 140.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | M205 A219 E232 L237 | M205-A217 PolarHBondContact O-N 3.07Å; M205-A217 VanDerWaalsContact O-N 3.08Å; A217-A219 PolarHBondContact O-N 3.29Å; A217-E232 HydrophobicContact CB-CG 3.81Å; A217-E232 VanDerWaalsContact CB-OE1 3.23Å; A217-E232 WeakPolarHBondContact CB-OE1 3.35Å; A217-L237 HydrophobicContact CB-CD1 4.09Å; A217-L237 HydrophobicContact CB-CD2 3.75Å |
| 218 | G | 96.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | -10.5 | -174 | 0 | 0 | 0 | 0 | 0 | 115.4 | H229 C230 | G218-H229 PolarHBondContact O-NE2 3.3Å; G218-C230 WeakPolarHBondContact CA-O 3.31Å; G218-C230 PolarHBondContact N-O 3.08Å |
| 219 | A | 97.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 63.4 Ų | 63.4 | 29% | 0.289 | 34% | 0.337 | S | S | . | . | trans | -85.2 | 146.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V215 H216 A217 C230 | V215-A219 HydrophobicContact CG1-CB 3.73Å; H216-A219 VanDerWaalsContact O-CB 3.28Å; H216-A219 WeakPolarHBondContact O-CB 3.01Å; H216-A219 PolarHBondContact O-N 3.01Å; H216-A219 VanDerWaalsContact O-N 3.11Å; A217-A219 PolarHBondContact O-N 3.29Å; A219-C230 PolarHBondContact O-N 2.8Å | ||
| 220 | R | 96.8 | Very high | 95.6 | Very high | 145 Ų | 145 | 62.9 Ų | 62.9 | 55% | 0.547 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 151.1 | 166.8 | -65.7 | 179.5 | 177.4 | 170.7 | -2.6 | 110.4 | L227 F228 H229 A242 | R220-L227 HydrophobicContact CB-CD1 4.09Å; R220-F228 CarbonylContact C-O 3.47Å; R220-F228 WeakPolarHBondContact CA-O 2.99Å; R220-F228 WeakPolarHBondContact CB-O 3.36Å; R220-H229 HydrophobicContact CG-CB 4.22Å; R220-A242 HydrophobicContact CG-CB 4.46Å |
| 221 | F | 96.9 | Very high | 95.6 | Very high | 13 Ų | 13 | 62.8 Ų | 62.8 | 6% | 0.057 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 152.7 | -179.6 | 64.7 | -79.1 | 0 | 0 | 0 | 112.1 | C207 D209 V215 D223 F228 C230 I239 | C207-F221 HydrophobicContact CB-CE1 4.35Å; C207-F221 HydrophobicContact CB-CZ 4.48Å; D209-F221 HydrophobicContact CB-CD2 3.88Å; D209-F221 HydrophobicContact CB-CE2 3.83Å; V215-F221 HydrophobicContact CB-CB 4.45Å; V215-F221 HydrophobicContact CB-CD1 4.2Å; V215-F221 HydrophobicContact CB-CG 4.34Å; V215-F221 HydrophobicContact CG1-CB 3.98Å; V215-F221 HydrophobicContact CG1-CD1 3.69Å; V215-F221 HydrophobicContact CG1-CE1 4.45Å; V215-F221 HydrophobicContact CG1-CG 4.06Å; V215-F221 HydrophobicContact CG2-CB 3.66Å; V215-F221 HydrophobicContact CG2-CD1 4.06Å; V215-F221 HydrophobicContact CG2-CD2 4.09Å; V215-F221 HydrophobicContact CG2-CG 3.69Å; F221-D223 HydrophobicContact CD2-CB 4.05Å; F221-D223 HydrophobicContact CE2-CB 3.93Å; F221-F228 HydrophobicContact CD1-CB 3.94Å; F221-F228 HydrophobicContact CD2-CB 4.26Å; F221-F228 HydrophobicContact CE1-CB 3.51Å; F221-F228 HydrophobicContact CE2-CB 3.86Å; F221-F228 HydrophobicContact CE2-CD2 4.32Å; F221-F228 HydrophobicContact CE2-CG 4.31Å; F221-F228 HydrophobicContact CG-CB 4.31Å; F221-F228 HydrophobicContact CZ-CB 3.47Å; F221-F228 VanDerWaalsContact CZ-CB 3.47Å; F221-F228 HydrophobicContact CZ-CG 4.15Å; F221-F228 PolarHBondContact N-O 2.87Å; F221-F228 PolarHBondContact O-N 2.75Å; F221-C230 HydrophobicContact CE1-CB 4.25Å; F221-I239 HydrophobicContact CE1-CG2 4.41Å; F221-I239 HydrophobicContact CZ-CD1 4.38Å; F221-I239 HydrophobicContact CZ-CG1 4.42Å; F221-I239 HydrophobicContact CZ-CG2 3.9Å |
| 222 | H | 94.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 61.8 Ų | 61.8 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 127.4 | 177.4 | -58.8 | 179 | 0 | 0 | 0 | 109 | R213 F226 L227 E254 | R213-H222 PolarHBondContact NH2-O 3.25Å; H222-F226 WeakPolarHBondContact CA-O 3.42Å; H222-L227 VanDerWaalsContact CD2-CD1 3.49Å; H222-L227 WeakPolarHBondContact CD2-CD1 3.24Å; H222-E254 IonicContact CD2-OE1 3.9Å; H222-E254 IonicContact CE1-OE1 3.71Å; H222-E254 WeakPolarHBondContact NE2-CG 3.44Å; H222-E254 IonicContact NE2-OE1 3.06Å; H222-E254 PolarHBondContact NE2-OE1 3Å |
| 223 | D | 93.4 | Very high | 95.3 | Very high | 19 Ų | 19 | 65.1 Ų | 65.1 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 137 | 174.3 | -160.9 | 10 | 0 | 0 | 0 | 109.8 | D209 S210 F221 G225 F226 F228 | D209-D223 HydrophobicContact CB-CB 4.4Å; S210-D223 VanDerWaalsContact CB-OD1 3.26Å; S210-D223 WeakPolarHBondContact CB-OD1 3.47Å; S210-D223 WeakPolarHBondContact CB-OD2 3.49Å; S210-D223 PolarHBondContact N-OD2 2.77Å; S210-D223 PolarHBondContact OG-OD1 3.38Å; F221-D223 HydrophobicContact CD2-CB 4.05Å; F221-D223 HydrophobicContact CE2-CB 3.93Å; D223-G225 PolarHBondContact O-N 3.06Å; D223-F226 PolarHBondContact N-O 2.84Å; D223-F226 PolarHBondContact O-N 3.39Å; D223-F228 HydrophobicContact CB-CD2 3.72Å; D223-F228 HydrophobicContact CB-CE2 3.83Å; D223-F228 WeakPolarHBondContact O-CE2 3.1Å |
| 224 | L | 88.1 | Confident | 94.6 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 68% | 0.681 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.9 | 34.1 | 177.7 | -56.9 | 176.4 | 0 | 0 | 0 | 115.1 | F226 | L224-F226 WeakPolarHBondContact O-CD2 3.4Š|
| 225 | G | 86.2 | Confident | 93.8 | Very high | 56 Ų | 56 | 66.2 Ų | 66.2 | 58% | 0.577 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | 2.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | D223 | D223-G225 PolarHBondContact O-N 3.06Š|
| 226 | F | 93.5 | Very high | 93.3 | Very high | 71 Ų | 71 | 65.4 Ų | 65.4 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 162.5 | 178.1 | -60.6 | -76.8 | 0 | 0 | 0 | 111.8 | H222 D223 L224 F228 F241 V282 | H222-F226 WeakPolarHBondContact CA-O 3.42Å; D223-F226 PolarHBondContact N-O 2.84Å; D223-F226 PolarHBondContact O-N 3.39Å; L224-F226 WeakPolarHBondContact O-CD2 3.4Å; F226-F228 HydrophobicContact CB-CD2 4.44Å; F226-F228 HydrophobicContact CB-CE2 3.89Å; F226-F228 HydrophobicContact CB-CZ 4.29Å; F226-F241 HydrophobicContact CB-CD1 4.23Å; F226-F241 HydrophobicContact CB-CE1 4.14Å; F226-F241 HydrophobicContact CD2-CE1 4.4Å; F226-F241 HydrophobicContact CG-CE1 4.15Å; F226-V282 HydrophobicContact CD1-CB 4.37Å; F226-V282 HydrophobicContact CD1-CG1 3.29Å; F226-V282 HydrophobicContact CD1-CG2 4.14Å; F226-V282 HydrophobicContact CE1-CG1 3.53Å; F226-V282 HydrophobicContact CE1-CG2 4.43Å; F226-V282 HydrophobicContact CG-CG1 3.94Å; F226-V282 HydrophobicContact CZ-CG1 4.33Å |
| 227 | L | 97.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.7 | 172.4 | -172.7 | 65.2 | 0 | 0 | 0 | 108.7 | R220 H222 A242 G243 V245 E254 | R220-L227 HydrophobicContact CB-CD1 4.09Å; H222-L227 VanDerWaalsContact CD2-CD1 3.49Å; H222-L227 WeakPolarHBondContact CD2-CD1 3.24Å; L227-A242 HydrophobicContact CD2-CB 4.26Å; L227-A242 HydrophobicContact CG-CB 4.08Å; L227-A242 PolarHBondContact O-N 2.91Å; L227-G243 WeakPolarHBondContact CB-O 3.26Å; L227-G243 PolarHBondContact N-O 2.88Å; L227-G243 VanDerWaalsContact N-O 3.09Å; L227-G243 PolarHBondContact O-N 2.74Å; L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-V245 HydrophobicContact CD1-CG2 4.48Å; L227-E254 VanDerWaalsContact CD1-CD 3.49Å; L227-E254 HydrophobicContact CD1-CG 3.86Å; L227-E254 HydrophobicContact CD2-CB 3.9Å; L227-E254 HydrophobicContact CD2-CG 4Å |
| 228 | F | 97.9 | Very high | 93.2 | Very high | 30 Ų | 30 | 60 Ų | 60 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 158.7 | 175.3 | -69.6 | -84.3 | 0 | 0 | 0 | 111 | R220 F221 D223 F226 I239 V240 F241 | R220-F228 CarbonylContact C-O 3.47Å; R220-F228 WeakPolarHBondContact CA-O 2.99Å; R220-F228 WeakPolarHBondContact CB-O 3.36Å; F221-F228 HydrophobicContact CD1-CB 3.94Å; F221-F228 HydrophobicContact CD2-CB 4.26Å; F221-F228 HydrophobicContact CE1-CB 3.51Å; F221-F228 HydrophobicContact CE2-CB 3.86Å; F221-F228 HydrophobicContact CE2-CD2 4.32Å; F221-F228 HydrophobicContact CE2-CG 4.31Å; F221-F228 HydrophobicContact CG-CB 4.31Å; F221-F228 HydrophobicContact CZ-CB 3.47Å; F221-F228 VanDerWaalsContact CZ-CB 3.47Å; F221-F228 HydrophobicContact CZ-CG 4.15Å; F221-F228 PolarHBondContact N-O 2.87Å; F221-F228 PolarHBondContact O-N 2.75Å; D223-F228 HydrophobicContact CB-CD2 3.72Å; D223-F228 HydrophobicContact CB-CE2 3.83Å; D223-F228 WeakPolarHBondContact O-CE2 3.1Å; F226-F228 HydrophobicContact CB-CD2 4.44Å; F226-F228 HydrophobicContact CB-CE2 3.89Å; F226-F228 HydrophobicContact CB-CZ 4.29Å; F228-I239 HydrophobicContact CB-CG2 4.1Å; F228-I239 HydrophobicContact CD1-CG2 3.56Å; F228-I239 HydrophobicContact CE1-CG2 4.29Å; F228-I239 HydrophobicContact CG-CG2 4.07Å; F228-V240 CarbonylContact C-O 3.45Å; F228-V240 VanDerWaalsContact CA-O 3.3Å; F228-V240 WeakPolarHBondContact CA-O 3.26Å; F228-F241 HydrophobicContact CD1-CD1 4.01Å; F228-F241 HydrophobicContact CD1-CE1 4.29Å; F228-F241 AromaticContact CE1-CD1 3.47Å; F228-F241 HydrophobicContact CE1-CD1 3.47Å; F228-F241 VanDerWaalsContact CE1-CD1 3.47Å; F228-F241 AromaticContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CG 4.22Å; F228-F241 AromaticContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE2-CE1 4.34Å; F228-F241 AromaticContact CZ-CD1 3.84Å; F228-F241 HydrophobicContact CZ-CD1 3.84Å; F228-F241 AromaticContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CZ 4.13Å |
| 229 | H | 97.7 | Very high | 93.2 | Very high | 46 Ų | 46 | 60.1 Ų | 60.1 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 124.4 | 171.5 | 179.5 | -161.7 | 0 | 0 | 0 | 109.2 | G218 R220 K231 V240 A242 | G218-H229 PolarHBondContact O-NE2 3.3Å; R220-H229 HydrophobicContact CG-CB 4.22Å; H229-K231 PolarHBondContact O-N 3.45Å; H229-V240 HydrophobicContact CB-CG2 4.06Å; H229-V240 PolarHBondContact N-O 2.82Å; H229-V240 PolarHBondContact O-N 2.03Å; H229-A242 HydrophobicContact CB-CB 3.79Å |
| 230 | C | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 76.9 | 170.5 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | C207 V215 G218 A219 F221 T238 | C207-C230 HydrophobicContact CB-CB 3.72Å; C207-C230 WeakPolarHBondContact CB-SG 3.5Å; C207-C230 PolarHBondContact N-SG 3.27Å; C207-C230 WeakPolarHBondContact SG-CA 3.44Å; C207-C230 WeakPolarHBondContact SG-CB 3.1Å; C207-C230 CovalentContact SG-SG 2.04Å; C207-C230 PolarHBondContact SG-SG 2.92Å; V215-C230 HydrophobicContact CG1-CB 4.28Å; G218-C230 WeakPolarHBondContact CA-O 3.31Å; G218-C230 PolarHBondContact N-O 3.08Å; A219-C230 PolarHBondContact O-N 2.8Å; F221-C230 HydrophobicContact CE1-CB 4.25Å; C230-T238 CarbonylContact C-O 3.58Å |
| 231 | K | 96.4 | Very high | 93.2 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 129.6 | -167 | -176.8 | 174.4 | 178.4 | 177.9 | 0 | 111.8 | H229 T238 V240 E279 | H229-K231 PolarHBondContact O-N 3.45Å; K231-T238 HydrophobicContact CB-CG2 3.97Å; K231-T238 HydrophobicContact CG-CG2 4.5Å; K231-T238 PolarHBondContact N-O 3.05Å; K231-T238 PolarHBondContact O-N 2.63Å; K231-V240 HydrophobicContact CB-CG2 3.97Å; K231-V240 HydrophobicContact CD-CG2 4.01Å; K231-E279 IonicContact NZ-OE1 3.96Å; K231-E279 PolarHBondContact NZ-OE1 2.87Å; K231-E279 IonicContact NZ-OE2 3.39Å; K231-E279 PolarHBondContact NZ-OE2 2.98Å |
| 232 | E | 93.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 54.4 Ų | 54.4 | 54% | 0.542 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 140 | 171.3 | -67.8 | 178.1 | -164.6 | 0 | 0 | 111.3 | A217 L237 | A217-E232 HydrophobicContact CB-CG 3.81Å; A217-E232 VanDerWaalsContact CB-OE1 3.23Å; A217-E232 WeakPolarHBondContact CB-OE1 3.35Å; E232-L237 HydrophobicContact CB-CD2 4.27Å; E232-L237 HydrophobicContact CG-CD2 3.66Å |
| 233 | K | 90.4 | Very high | 93.3 | Very high | 108 Ų | 108 | 50.9 Ų | 50.9 | 47% | 0.47 | 26% | 0.263 | S | S | . | . | trans | -122.5 | 168.6 | 172.6 | -73.2 | -174.3 | 169.2 | 173.5 | 0 | 109.5 | V235 G236 T238 | K233-V235 PolarHBondContact O-N 3.38Å; K233-G236 PolarHBondContact N-O 2.91Å; K233-T238 HydrophobicContact CD-CG2 4.12Å; K233-T238 VanDerWaalsContact CE-CG2 3.43Å; K233-T238 HydrophobicContact CG-CG2 4.29Å | ||
| 234 | E | 82.3 | Confident | 93.5 | Very high | 200 Ų | 200 | 50 Ų | 50 | 94% | 0.935 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -51.6 | -38.6 | 170.2 | -68.8 | -177.3 | 169.5 | 0 | 0 | 112.1 | ||
| 235 | V | 81.5 | Confident | 93.8 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 48% | 0.479 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -126 | 97.9 | 175.4 | -172.2 | 0 | 0 | 0 | 0 | 109.6 | K233 | K233-V235 PolarHBondContact O-N 3.38Š|
| 236 | G | 88 | Confident | 94.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 87.4 | -156.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K233 | K233-G236 PolarHBondContact N-O 2.91Š|
| 237 | L | 94.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 47 Ų | 47 | 8% | 0.084 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 156.3 | -178.2 | -62.1 | -177.7 | 0 | 0 | 0 | 111.2 | F188 V204 A217 E232 | F188-L237 HydrophobicContact CD1-CB 4.01Å; F188-L237 HydrophobicContact CD1-CD1 4.45Å; F188-L237 HydrophobicContact CE1-CB 3.72Å; V204-L237 HydrophobicContact CG1-CD1 4.33Å; V204-L237 HydrophobicContact CG1-CG 4.09Å; V204-L237 HydrophobicContact CG2-CD1 3.67Å; V204-L237 HydrophobicContact CG2-CG 4.09Å; A217-L237 HydrophobicContact CB-CD1 4.09Å; A217-L237 HydrophobicContact CB-CD2 3.75Å; E232-L237 HydrophobicContact CB-CD2 4.27Å; E232-L237 HydrophobicContact CG-CD2 3.66Å |
| 238 | T | 95.5 | Very high | 93.9 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 155.6 | 169.6 | -159 | 0 | 0 | 0 | 0 | 110.4 | C230 K231 K233 V240 | C230-T238 CarbonylContact C-O 3.58Å; K231-T238 HydrophobicContact CB-CG2 3.97Å; K231-T238 HydrophobicContact CG-CG2 4.5Å; K231-T238 PolarHBondContact N-O 3.05Å; K231-T238 PolarHBondContact O-N 2.63Å; K233-T238 HydrophobicContact CD-CG2 4.12Å; K233-T238 VanDerWaalsContact CE-CG2 3.43Å; K233-T238 HydrophobicContact CG-CG2 4.29Å; T238-V240 HydrophobicContact CG2-CG1 3.82Å |
| 239 | I | 96.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 23% | 0.226 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.5 | 171.1 | -63.1 | 170.3 | 0 | 0 | 0 | 106.7 | K187 F188 C207 F221 F228 | K187-I239 HydrophobicContact CB-CD1 3.78Å; K187-I239 HydrophobicContact CD-CD1 4.19Å; F188-I239 HydrophobicContact CE1-CG1 4.39Å; C207-I239 HydrophobicContact CB-CD1 3.91Å; C207-I239 HydrophobicContact CB-CG1 3.89Å; C207-I239 WeakPolarHBondContact SG-CG1 3.39Å; F221-I239 HydrophobicContact CE1-CG2 4.41Å; F221-I239 HydrophobicContact CZ-CD1 4.38Å; F221-I239 HydrophobicContact CZ-CG1 4.42Å; F221-I239 HydrophobicContact CZ-CG2 3.9Å; F228-I239 HydrophobicContact CB-CG2 4.1Å; F228-I239 HydrophobicContact CD1-CG2 3.56Å; F228-I239 HydrophobicContact CE1-CG2 4.29Å; F228-I239 HydrophobicContact CG-CG2 4.07Å |
| 240 | V | 97 | Very high | 93 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 10% | 0.097 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 155.4 | 177.7 | -67.9 | 0 | 0 | 0 | 0 | 110.3 | F228 H229 K231 T238 E279 | F228-V240 CarbonylContact C-O 3.45Å; F228-V240 VanDerWaalsContact CA-O 3.3Å; F228-V240 WeakPolarHBondContact CA-O 3.26Å; H229-V240 HydrophobicContact CB-CG2 4.06Å; H229-V240 PolarHBondContact N-O 2.82Å; H229-V240 PolarHBondContact O-N 2.03Å; K231-V240 HydrophobicContact CB-CG2 3.97Å; K231-V240 HydrophobicContact CD-CG2 4.01Å; T238-V240 HydrophobicContact CG2-CG1 3.82Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.13Å; V240-E279 HydrophobicContact CG1-CB 3.97Å; V240-E279 HydrophobicContact CG1-CG 4.5Å; V240-E279 HydrophobicContact CG2-CB 4.42Å; V240-E279 HydrophobicContact CG2-CG 4.18Å |
| 241 | F | 98 | Very high | 92.7 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 21% | 0.206 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 139.9 | 168.2 | -67.5 | -70.4 | 0 | 0 | 0 | 110.1 | F226 F228 F257 N278 E279 K280 V282 | F226-F241 HydrophobicContact CB-CD1 4.23Å; F226-F241 HydrophobicContact CB-CE1 4.14Å; F226-F241 HydrophobicContact CD2-CE1 4.4Å; F226-F241 HydrophobicContact CG-CE1 4.15Å; F228-F241 HydrophobicContact CD1-CD1 4.01Å; F228-F241 HydrophobicContact CD1-CE1 4.29Å; F228-F241 AromaticContact CE1-CD1 3.47Å; F228-F241 HydrophobicContact CE1-CD1 3.47Å; F228-F241 VanDerWaalsContact CE1-CD1 3.47Å; F228-F241 AromaticContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CE1 3.32Å; F228-F241 HydrophobicContact CE1-CG 4.22Å; F228-F241 AromaticContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE1-CZ 3.95Å; F228-F241 HydrophobicContact CE2-CE1 4.34Å; F228-F241 AromaticContact CZ-CD1 3.84Å; F228-F241 HydrophobicContact CZ-CD1 3.84Å; F228-F241 AromaticContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CE1 3.36Å; F228-F241 HydrophobicContact CZ-CZ 4.13Å; F241-F257 HydrophobicContact CB-CZ 3.95Å; F241-N278 WeakPolarHBondContact CB-O 3.3Å; F241-E279 PolarHBondContact N-O 2.85Å; F241-K280 WeakPolarHBondContact CE2-O 3.44Å; F241-V282 HydrophobicContact CB-CB 4.3Å; F241-V282 HydrophobicContact CB-CG1 4.41Å; F241-V282 HydrophobicContact CD1-CB 4.08Å; F241-V282 HydrophobicContact CD1-CG1 3.29Å; F241-V282 HydrophobicContact CD2-CG1 4.21Å; F241-V282 HydrophobicContact CE1-CG1 3.37Å; F241-V282 HydrophobicContact CE2-CG1 4.28Å; F241-V282 HydrophobicContact CG-CB 4.08Å; F241-V282 HydrophobicContact CG-CG1 3.73Å; F241-V282 HydrophobicContact CZ-CG1 3.89Å |
| 242 | A | 97.5 | Very high | 92.6 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 9% | 0.091 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | -10.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R220 L227 H229 | R220-A242 HydrophobicContact CG-CB 4.46Å; L227-A242 HydrophobicContact CD2-CB 4.26Å; L227-A242 HydrophobicContact CG-CB 4.08Å; L227-A242 PolarHBondContact O-N 2.91Å; H229-A242 HydrophobicContact CB-CB 3.79Å |
| 243 | G | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154 | -157.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L227 F255 | L227-G243 WeakPolarHBondContact CB-O 3.26Å; L227-G243 PolarHBondContact N-O 2.88Å; L227-G243 VanDerWaalsContact N-O 3.09Å; L227-G243 PolarHBondContact O-N 2.74Å; G243-F255 CarbonylContact C-O 3.59Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å |
| 244 | C | 95.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 152.8 | -175.9 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | F255 W261 C275 V282 V284 | C244-F255 PolarHBondContact N-O 2.84Å; C244-F255 PolarHBondContact O-N 2.94Å; C244-W261 HydrophobicContact CB-CH2 4.11Å; C244-W261 HydrophobicContact CB-CZ3 4.29Å; C244-C275 HydrophobicContact CB-CB 3.71Å; C244-C275 WeakPolarHBondContact CB-SG 3.19Å; C244-C275 PolarHBondContact N-SG 2.94Å; C244-C275 WeakPolarHBondContact SG-CA 3.27Å; C244-C275 WeakPolarHBondContact SG-CB 3.48Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.35Å; C244-V282 VanDerWaalsContact SG-CG2 3.52Å; C244-V284 HydrophobicContact CB-CG2 4.15Å |
| 245 | V | 95.5 | Very high | 93.6 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 20% | 0.2 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.2 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | L227 T252 | L227-V245 HydrophobicContact CB-CG2 3.93Å; L227-V245 HydrophobicContact CD1-CG2 4.48Å; V245-T252 HydrophobicContact CG1-CG2 3.41Å; V245-T252 VanDerWaalsContact CG1-CG2 3.41Å |
| 246 | A | 94 | Very high | 94.2 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 13% | 0.132 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R253 F255 W261 | A246-R253 PolarHBondContact N-O 3.39Å; A246-R253 PolarHBondContact O-N 2.82Å; A246-F255 HydrophobicContact CB-CD2 4.14Å; A246-F255 HydrophobicContact CB-CE2 3.92Å; A246-W261 HydrophobicContact CB-CD2 3.93Å; A246-W261 HydrophobicContact CB-CG 4.34Å; A246-W261 HydrophobicContact CB-CH2 4.25Å; A246-W261 HydrophobicContact CB-CZ2 3.47Å; A246-W261 VanDerWaalsContact CB-CZ2 3.47Å |
| 247 | K | 92.9 | Very high | 94.6 | Very high | 144 Ų | 144 | 51.7 Ų | 51.7 | 63% | 0.626 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 119.1 | 172.4 | -71.6 | -176.4 | 178.5 | -179.3 | 0 | 109.7 | V251 | K247-V251 CarbonylContact C-O 3.56Å; K247-V251 WeakPolarHBondContact CA-O 3.06Å |
| 248 | E | 91.5 | Very high | 94.7 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 124 | 171.6 | -166.1 | -175.2 | -135.8 | 0 | 0 | 108.3 | G250 V251 R253 F255 W261 Y262 | E248-G250 PolarHBondContact O-N 2.92Å; E248-G250 VanDerWaalsContact O-N 3.09Å; E248-V251 PolarHBondContact N-O 3Å; E248-V251 PolarHBondContact O-N 3.22Å; E248-R253 IonicContact OE2-CZ 3.88Å; E248-R253 IonicContact OE2-NE 2.67Å; E248-R253 IonicContact OE2-NH1 2.79Å; E248-R253 PolarHBondContact OE2-NH1 3.34Å; E248-F255 HydrophobicContact CB-CZ 4.14Å; E248-W261 HydrophobicContact CB-CB 4.4Å; E248-W261 HydrophobicContact CG-CB 4.18Å; E248-W261 WeakPolarHBondContact OE1-CA 3.34Å; E248-W261 WeakPolarHBondContact OE1-CB 3.38Å; E248-Y262 PolarHBondContact OE1-N 2.89Å |
| 249 | F | 87.9 | Confident | 94.8 | Very high | 176 Ų | 176 | 57.8 Ų | 57.8 | 77% | 0.772 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 33.1 | -173.9 | -52.6 | -68.2 | 0 | 0 | 0 | 114.4 | V251 | F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 3.36Å |
| 250 | G | 88.2 | Confident | 94.8 | Very high | 64 Ų | 64 | 57.4 Ų | 57.4 | 66% | 0.66 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | -8.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | E248 | E248-G250 PolarHBondContact O-N 2.92Å; E248-G250 VanDerWaalsContact O-N 3.09Å |
| 251 | V | 92.7 | Very high | 94.8 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 130.7 | 178.4 | -177.4 | 0 | 0 | 0 | 0 | 109.6 | K247 E248 F249 R253 | K247-V251 CarbonylContact C-O 3.56Å; K247-V251 WeakPolarHBondContact CA-O 3.06Å; E248-V251 PolarHBondContact N-O 3Å; E248-V251 PolarHBondContact O-N 3.22Å; F249-V251 VanDerWaalsContact C-N 3.3Å; F249-V251 PolarHBondContact O-N 3.36Å; V251-R253 HydrophobicContact CG1-CG 4.36Å; V251-R253 PolarHBondContact O-N 3.06Å |
| 252 | T | 93.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 58.6 Ų | 58.6 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 122.7 | 171.9 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | V245 | V245-T252 HydrophobicContact CG1-CG2 3.41Å; V245-T252 VanDerWaalsContact CG1-CG2 3.41Å |
| 253 | R | 95.1 | Very high | 94.4 | Very high | 129 Ų | 129 | 59.9 Ų | 59.9 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 154.3 | 179.1 | -64 | -175.3 | 71.9 | 174.9 | 5.1 | 110.7 | A246 E248 V251 F255 | A246-R253 PolarHBondContact N-O 3.39Å; A246-R253 PolarHBondContact O-N 2.82Å; E248-R253 IonicContact OE2-CZ 3.88Å; E248-R253 IonicContact OE2-NE 2.67Å; E248-R253 IonicContact OE2-NH1 2.79Å; E248-R253 PolarHBondContact OE2-NH1 3.34Å; V251-R253 HydrophobicContact CG1-CG 4.36Å; V251-R253 PolarHBondContact O-N 3.06Å; R253-F255 HydrophobicContact CB-CE2 3.64Å; R253-F255 HydrophobicContact CB-CZ 3.63Å |
| 254 | E | 96 | Very high | 94.2 | Very high | 86 Ų | 86 | 68.3 Ų | 68.3 | 40% | 0.402 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 138.1 | 173.2 | -68.2 | 178.4 | -166.2 | 0 | 0 | 109.5 | H222 L227 | H222-E254 IonicContact CD2-OE1 3.9Å; H222-E254 IonicContact CE1-OE1 3.71Å; H222-E254 WeakPolarHBondContact NE2-CG 3.44Å; H222-E254 IonicContact NE2-OE1 3.06Å; H222-E254 PolarHBondContact NE2-OE1 3Å; L227-E254 VanDerWaalsContact CD1-CD 3.49Å; L227-E254 HydrophobicContact CD1-CG 3.86Å; L227-E254 HydrophobicContact CD2-CB 3.9Å; L227-E254 HydrophobicContact CD2-CG 4Å |
| 255 | F | 95.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 72 Ų | 72 | 4% | 0.044 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 118.9 | 178.8 | -61.8 | -81.1 | 0 | 0 | 0 | 109.6 | G243 C244 A246 E248 R253 E259 W261 C275 | G243-F255 CarbonylContact C-O 3.59Å; G243-F255 WeakPolarHBondContact CA-O 3.46Å; C244-F255 PolarHBondContact N-O 2.84Å; C244-F255 PolarHBondContact O-N 2.94Å; A246-F255 HydrophobicContact CB-CD2 4.14Å; A246-F255 HydrophobicContact CB-CE2 3.92Å; E248-F255 HydrophobicContact CB-CZ 4.14Å; R253-F255 HydrophobicContact CB-CE2 3.64Å; R253-F255 HydrophobicContact CB-CZ 3.63Å; F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.4Å; F255-E259 HydrophobicContact CB-CB 4.18Å; F255-E259 HydrophobicContact CD1-CB 4.31Å; F255-W261 HydrophobicContact CB-CE3 4.14Å; F255-W261 HydrophobicContact CB-CZ3 4.18Å; F255-W261 HydrophobicContact CD1-CB 4.23Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.05Å; F255-W261 AromaticContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CG 4.48Å; F255-W261 HydrophobicContact CD2-CZ3 4.21Å; F255-W261 HydrophobicContact CE1-CB 3.53Å; F255-W261 HydrophobicContact CE1-CE3 4.39Å; F255-W261 HydrophobicContact CE1-CG 4.3Å; F255-W261 HydrophobicContact CE2-CB 4Å; F255-W261 HydrophobicContact CE2-CD2 4.02Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.36Å; F255-W261 AromaticContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.39Å; F255-W261 HydrophobicContact CZ-CD2 4.29Å; F255-W261 HydrophobicContact CZ-CE3 4.45Å; F255-W261 AromaticContact CZ-CG 3.88Å; F255-W261 HydrophobicContact CZ-CG 3.88Å; F255-C275 HydrophobicContact CB-CB 4.31Å |
| 256 | G | 95.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 76.2 Ų | 76.2 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | trans | -66 | 167.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G258 E259 C275 | G256-G258 PolarHBondContact O-N 2.96Å; G256-E259 PolarHBondContact N-OE2 3.3Å; G256-E259 WeakPolarHBondContact O-CB 3.25Å; G256-E259 PolarHBondContact O-N 3.32Å; G256-C275 WeakPolarHBondContact O-CB 3.5Å | ||
| 257 | F | 96.6 | Very high | 93.4 | Very high | 71 Ų | 71 | 79 Ų | 79 | 31% | 0.311 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 130.9 | 175.8 | -55.6 | -58.5 | 0 | 0 | 0 | 111.1 | F241 E259 N278 V282 | F241-F257 HydrophobicContact CB-CZ 3.95Å; F257-E259 VanDerWaalsContact C-N 3.28Å; F257-N278 WeakPolarHBondContact CZ-O 3.44Å; F257-V282 HydrophobicContact CE1-CB 4.24Å; F257-V282 HydrophobicContact CE1-CG2 4.04Å |
| 258 | G | 96.1 | Very high | 93.3 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 60% | 0.598 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -13.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G256 C275 | G256-G258 PolarHBondContact O-N 2.96Å; G258-C275 PolarHBondContact N-O 2.93Å |
| 259 | E | 97.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 74.2 Ų | 74.2 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | trans | -75 | 153.3 | 175 | -61.9 | -172.4 | 157 | 0 | 0 | 111.2 | F255 G256 F257 V274 C275 | F255-E259 VanDerWaalsContact CA-OE2 3.31Å; F255-E259 WeakPolarHBondContact CA-OE2 3.4Å; F255-E259 HydrophobicContact CB-CB 4.18Å; F255-E259 HydrophobicContact CD1-CB 4.31Å; G256-E259 PolarHBondContact N-OE2 3.3Å; G256-E259 WeakPolarHBondContact O-CB 3.25Å; G256-E259 PolarHBondContact O-N 3.32Å; F257-E259 VanDerWaalsContact C-N 3.28Å; E259-V274 WeakPolarHBondContact O-CA 3.33Å; E259-C275 PolarHBondContact O-N 2.95Å | ||
| 260 | S | 96.7 | Very high | 93.7 | Very high | 36 Ų | 36 | 66.6 Ų | 66.6 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.6 | -173.9 | 71.1 | 0 | 0 | 0 | 0 | 112 | R272 M273 | S260-R272 PolarHBondContact OG-NE 3.38Å; S260-R272 PolarHBondContact OG-NH2 3.33Å; S260-M273 CarbonylContact C-O 3.57Å; S260-M273 WeakPolarHBondContact CA-O 3.46Å; S260-M273 WeakPolarHBondContact CB-O 3.16Å |
| 261 | W | 96.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 66 Ų | 66 | 5% | 0.049 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 164 | 175.9 | 68.8 | 97.2 | 0 | 0 | 0 | 111.5 | C244 A246 E248 F255 R272 M273 C275 V284 | C244-W261 HydrophobicContact CB-CH2 4.11Å; C244-W261 HydrophobicContact CB-CZ3 4.29Å; A246-W261 HydrophobicContact CB-CD2 3.93Å; A246-W261 HydrophobicContact CB-CG 4.34Å; A246-W261 HydrophobicContact CB-CH2 4.25Å; A246-W261 HydrophobicContact CB-CZ2 3.47Å; A246-W261 VanDerWaalsContact CB-CZ2 3.47Å; E248-W261 HydrophobicContact CB-CB 4.4Å; E248-W261 HydrophobicContact CG-CB 4.18Å; E248-W261 WeakPolarHBondContact OE1-CA 3.34Å; E248-W261 WeakPolarHBondContact OE1-CB 3.38Å; F255-W261 HydrophobicContact CB-CE3 4.14Å; F255-W261 HydrophobicContact CB-CZ3 4.18Å; F255-W261 HydrophobicContact CD1-CB 4.23Å; F255-W261 HydrophobicContact CD1-CE3 4Å; F255-W261 HydrophobicContact CD2-CD2 4.05Å; F255-W261 AromaticContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CE3 3.73Å; F255-W261 HydrophobicContact CD2-CG 4.48Å; F255-W261 HydrophobicContact CD2-CZ3 4.21Å; F255-W261 HydrophobicContact CE1-CB 3.53Å; F255-W261 HydrophobicContact CE1-CE3 4.39Å; F255-W261 HydrophobicContact CE1-CG 4.3Å; F255-W261 HydrophobicContact CE2-CB 4Å; F255-W261 HydrophobicContact CE2-CD2 4.02Å; F255-W261 HydrophobicContact CE2-CE3 4.14Å; F255-W261 AromaticContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CE2-CG 3.98Å; F255-W261 HydrophobicContact CG-CD2 4.36Å; F255-W261 AromaticContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CE3 3.65Å; F255-W261 HydrophobicContact CG-CZ3 4.15Å; F255-W261 HydrophobicContact CZ-CB 3.39Å; F255-W261 HydrophobicContact CZ-CD2 4.29Å; F255-W261 HydrophobicContact CZ-CE3 4.45Å; F255-W261 AromaticContact CZ-CG 3.88Å; F255-W261 HydrophobicContact CZ-CG 3.88Å; W261-R272 CarbonylContact O-C 3.57Å; W261-R272 WeakPolarHBondContact O-CA 3.44Å; W261-M273 HydrophobicContact CD2-CB 3.77Å; W261-M273 HydrophobicContact CD2-CG 4.48Å; W261-M273 HydrophobicContact CE3-CB 4.14Å; W261-M273 HydrophobicContact CG-CB 4.38Å; W261-M273 HydrophobicContact CH2-CB 3.87Å; W261-M273 HydrophobicContact CZ2-CB 3.46Å; W261-M273 VanDerWaalsContact CZ2-CB 3.46Å; W261-M273 HydrophobicContact CZ2-CG 3.98Å; W261-M273 HydrophobicContact CZ3-CB 4.18Å; W261-M273 PolarHBondContact N-O 2.76Å; W261-M273 PolarHBondContact O-N 2.88Å; W261-C275 HydrophobicContact CZ3-CB 4.01Å; W261-V284 HydrophobicContact CH2-CB 4.26Å; W261-V284 HydrophobicContact CH2-CG1 3.47Å; W261-V284 VanDerWaalsContact CH2-CG1 3.47Å; W261-V284 HydrophobicContact CH2-CG2 3.84Å; W261-V284 HydrophobicContact CZ2-CG1 3.57Å; W261-V284 HydrophobicContact CZ2-CG2 4.39Å |
| 262 | Y | 94.8 | Very high | 94.3 | Very high | 75 Ų | 75 | 64.8 Ų | 64.8 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134 | 175.8 | -62.2 | -78.8 | 0 | 0 | 0 | 111.2 | E248 Y271 R272 I290 R297 | E248-Y262 PolarHBondContact OE1-N 2.89Å; Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; Y262-R272 HydrophobicContact CD1-CB 4.03Å; Y262-R272 HydrophobicContact CD1-CG 4.24Å; Y262-R272 HydrophobicContact CE1-CB 3.85Å; Y262-R272 HydrophobicContact CE1-CG 3.88Å; Y262-I290 HydrophobicContact CD1-CD1 3.3Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; Y262-R297 PolarHBondContact OH-NH2 3.13Å |
| 263 | T | 93.7 | Very high | 94.4 | Very high | 38 Ų | 38 | 62.5 Ų | 62.5 | 23% | 0.233 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 157.3 | 172.3 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | Y271 M273 | T263-Y271 PolarHBondContact N-O 2.64Å; T263-Y271 PolarHBondContact OG1-N 2.85Å; T263-M273 HydrophobicContact CG2-CG 3.5Å; T263-M273 HydrophobicContact CG2-SD 3.72Å |
| 264 | K | 91.4 | Very high | 94.5 | Very high | 177 Ų | 177 | 57.4 Ų | 57.4 | 77% | 0.77 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 134.4 | 165.6 | -173.4 | 178.3 | 177.2 | -178.6 | 0 | 109.1 | V266 | K264-V266 PolarHBondContact O-N 2.8Š|
| 265 | P | 90.6 | Very high | 94.5 | Very high | 79 Ų | 79 | 53.3 Ų | 53.3 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 136 | 174.3 | -23.9 | 33.8 | 0 | 0 | 0 | 112 | L269 | P265-L269 CarbonylContact C-O 3.59Å; P265-L269 WeakPolarHBondContact CA-O 3.41Å |
| 266 | V | 88.3 | Confident | 94.5 | Very high | 120 Ų | 120 | 56.7 Ų | 56.7 | 73% | 0.727 | 32% | 0.323 | S | S | * | . | B | Isolated β-bridge | trans | -108.4 | 103.9 | 167.1 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | K264 S268 L269 | K264-V266 PolarHBondContact O-N 2.8Å; V266-S268 PolarHBondContact O-N 3.41Å; V266-L269 PolarHBondContact N-O 3.48Å; V266-L269 PolarHBondContact O-N 2.94Å |
| 267 | G | 89.6 | Confident | 94.6 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 77% | 0.773 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | -121.7 | -165 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 268 | S | 90.7 | Very high | 94.6 | Very high | 31 Ų | 31 | 57 Ų | 57 | 22% | 0.217 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 3.4 | 179.2 | 57 | 0 | 0 | 0 | 0 | 115.2 | V266 A291 N292 L293 | V266-S268 PolarHBondContact O-N 3.41Å; S268-A291 WeakPolarHBondContact O-CA 3.49Å; S268-N292 WeakPolarHBondContact CB-O 3.35Å; S268-N292 PolarHBondContact O-N 2.85Å; S268-L293 WeakPolarHBondContact OG-CD2 3.39Å; S268-L293 WeakPolarHBondContact OG-CG 3.41Å |
| 269 | L | 94.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 58.1 Ų | 58.1 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 137.4 | -176.3 | -60.8 | 177.1 | 0 | 0 | 0 | 110.3 | P265 V266 I290 A291 F314 A326 L328 | P265-L269 CarbonylContact C-O 3.59Å; P265-L269 WeakPolarHBondContact CA-O 3.41Å; V266-L269 PolarHBondContact N-O 3.48Å; V266-L269 PolarHBondContact O-N 2.94Å; L269-I290 CarbonylContact C-O 3.5Å; L269-I290 WeakPolarHBondContact CA-O 3.47Å; L269-A291 HydrophobicContact CD2-CB 3.88Å; L269-F314 HydrophobicContact CD2-CD2 4.5Å; L269-F314 HydrophobicContact CD2-CE2 3.9Å; L269-A326 HydrophobicContact CB-CB 4.46Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.12Å; L269-A326 HydrophobicContact CD2-CB 4.34Å; L269-L328 HydrophobicContact CD2-CD1 3.93Å; L269-L328 HydrophobicContact CD2-CG 4.27Å |
| 270 | S | 94.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 62.1 Ų | 62.1 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 169.5 | 168.6 | 63.2 | 0 | 0 | 0 | 0 | 110.1 | I290 | S270-I290 PolarHBondContact N-O 3.29Å; S270-I290 PolarHBondContact O-N 3.07Å |
| 271 | Y | 95.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 20% | 0.204 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 144.9 | -180 | -57.8 | -86.4 | 0 | 0 | 0 | 109.6 | Y262 T263 V286 E288 C289 A326 | Y262-Y271 WeakPolarHBondContact CA-O 3.49Å; T263-Y271 PolarHBondContact N-O 2.64Å; T263-Y271 PolarHBondContact OG1-N 2.85Å; Y271-V286 HydrophobicContact CD1-CG1 3.72Å; Y271-V286 HydrophobicContact CD1-CG2 4.38Å; Y271-V286 HydrophobicContact CG-CG1 4.43Å; Y271-E288 WeakPolarHBondContact CA-O 3.04Å; Y271-C289 HydrophobicContact CD1-CB 4.43Å; Y271-C289 HydrophobicContact CE1-CB 4.49Å; Y271-A326 HydrophobicContact CE1-CB 3.61Å; Y271-A326 WeakPolarHBondContact OH-CB 3.5Å; Y271-A326 PolarHBondContact OH-N 3.4Å |
| 272 | R | 96.8 | Very high | 94.5 | Very high | 67 Ų | 67 | 65.9 Ų | 65.9 | 25% | 0.253 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.5 | 161 | -171 | -177.9 | 167.8 | -138 | -8.4 | 107.7 | S260 W261 Y262 A287 E288 I290 | S260-R272 PolarHBondContact OG-NE 3.38Å; S260-R272 PolarHBondContact OG-NH2 3.33Å; W261-R272 CarbonylContact O-C 3.57Å; W261-R272 WeakPolarHBondContact O-CA 3.44Å; Y262-R272 HydrophobicContact CD1-CB 4.03Å; Y262-R272 HydrophobicContact CD1-CG 4.24Å; Y262-R272 HydrophobicContact CE1-CB 3.85Å; Y262-R272 HydrophobicContact CE1-CG 3.88Å; R272-A287 PolarHBondContact O-N 2.8Å; R272-E288 HydrophobicContact CB-CB 3.94Å; R272-E288 WeakPolarHBondContact CD-OE2 3.42Å; R272-E288 IonicContact CZ-OE1 3.87Å; R272-E288 PolarHBondContact N-O 2.95Å; R272-E288 IonicContact NH1-OE1 2.71Å; R272-E288 PolarHBondContact NH1-OE1 2.04Å; R272-E288 IonicContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.91Å; R272-I290 HydrophobicContact CB-CD1 4.27Å |
| 273 | M | 96.2 | Very high | 94.5 | Very high | 27 Ų | 27 | 64.2 Ų | 64.2 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 149.1 | 176.3 | -49.7 | -55.4 | -64.8 | 0 | 0 | 109.7 | S260 W261 T263 V284 E285 V286 | S260-M273 CarbonylContact C-O 3.57Å; S260-M273 WeakPolarHBondContact CA-O 3.46Å; S260-M273 WeakPolarHBondContact CB-O 3.16Å; W261-M273 HydrophobicContact CD2-CB 3.77Å; W261-M273 HydrophobicContact CD2-CG 4.48Å; W261-M273 HydrophobicContact CE3-CB 4.14Å; W261-M273 HydrophobicContact CG-CB 4.38Å; W261-M273 HydrophobicContact CH2-CB 3.87Å; W261-M273 HydrophobicContact CZ2-CB 3.46Å; W261-M273 VanDerWaalsContact CZ2-CB 3.46Å; W261-M273 HydrophobicContact CZ2-CG 3.98Å; W261-M273 HydrophobicContact CZ3-CB 4.18Å; W261-M273 PolarHBondContact N-O 2.76Å; W261-M273 PolarHBondContact O-N 2.88Å; T263-M273 HydrophobicContact CG2-CG 3.5Å; T263-M273 HydrophobicContact CG2-SD 3.72Å; M273-V284 HydrophobicContact CB-CG1 4.18Å; M273-V284 HydrophobicContact CE-CG1 3.53Å; M273-E285 CarbonylContact C-O 3.5Å; M273-E285 VanDerWaalsContact CA-O 3.3Å; M273-E285 WeakPolarHBondContact CA-O 3.46Å; M273-V286 HydrophobicContact CE-CG2 3.71Å; M273-V286 HydrophobicContact SD-CG2 3.8Å |
| 274 | V | 96.8 | Very high | 94.6 | Very high | 21 Ų | 21 | 65.6 Ų | 65.6 | 13% | 0.127 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.3 | 173.2 | 176.8 | 0 | 0 | 0 | 0 | 109 | E259 Q276 E285 A287 | E259-V274 WeakPolarHBondContact O-CA 3.33Å; V274-Q276 HydrophobicContact CG1-CG 4.12Å; V274-Q276 PolarHBondContact O-N 3.44Å; V274-E285 PolarHBondContact N-O 2.78Å; V274-E285 PolarHBondContact O-N 2.96Å; V274-A287 HydrophobicContact CB-CB 4.49Å; V274-A287 HydrophobicContact CG2-CB 3.47Å; V274-A287 VanDerWaalsContact CG2-CB 3.47Å |
| 275 | C | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 109.6 | 169.7 | -170.3 | 0 | 0 | 0 | 0 | 109.3 | C244 F255 G256 G258 E259 W261 | C244-C275 HydrophobicContact CB-CB 3.71Å; C244-C275 WeakPolarHBondContact CB-SG 3.19Å; C244-C275 PolarHBondContact N-SG 2.94Å; C244-C275 WeakPolarHBondContact SG-CA 3.27Å; C244-C275 WeakPolarHBondContact SG-CB 3.48Å; C244-C275 CovalentContact SG-SG 2.05Å; C244-C275 PolarHBondContact SG-SG 3.35Å; F255-C275 HydrophobicContact CB-CB 4.31Å; G256-C275 WeakPolarHBondContact O-CB 3.5Å; G258-C275 PolarHBondContact N-O 2.93Å; E259-C275 PolarHBondContact O-N 2.95Å; W261-C275 HydrophobicContact CZ3-CB 4.01Å |
| 276 | Q | 96.5 | Very high | 95 | Very high | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 152.3 | 176.4 | -64.2 | -158.7 | 12.7 | 0 | 0 | 111.3 | V274 V282 S283 E285 | V274-Q276 HydrophobicContact CG1-CG 4.12Å; V274-Q276 PolarHBondContact O-N 3.44Å; Q276-V282 WeakPolarHBondContact O-CA 3.36Å; Q276-S283 PolarHBondContact N-O 2.71Å; Q276-S283 PolarHBondContact O-N 2.76Å; Q276-S283 VanDerWaalsContact O-O 3.13Å; Q276-E285 HydrophobicContact CG-CB 4.43Å; Q276-E285 HydrophobicContact CG-CG 4.27Å; Q276-E285 VanDerWaalsContact NE2-CD 3.31Å; Q276-E285 PolarHBondContact NE2-OE2 2.83Å; Q276-E285 PolarHBondContact OE1-OE1 2.97Å; Q276-E285 PolarHBondContact OE1-OE2 2.76Å |
| 277 | G | 96 | Very high | 95.3 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 131.4 | -156.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | H281 | G277-H281 CarbonylContact C-O 3.59Å; G277-H281 VanDerWaalsContact CA-O 3.24Å; G277-H281 WeakPolarHBondContact CA-O 3.03Å |
| 278 | N | 96.9 | Very high | 95.7 | Very high | 67 Ų | 67 | 53.4 Ų | 53.4 | 36% | 0.358 | 28% | 0.278 | S | S | . | . | trans | -158.2 | -167.9 | -178.2 | 63.6 | 36.3 | 0 | 0 | 0 | 110.7 | F241 F257 K280 H281 | F241-N278 WeakPolarHBondContact CB-O 3.3Å; F257-N278 WeakPolarHBondContact CZ-O 3.44Å; N278-K280 PolarHBondContact O-N 3.48Å; N278-K280 WeakPolarHBondContact OD1-CB 3.5Å; N278-K280 PolarHBondContact OD1-N 3.43Å; N278-H281 VanDerWaalsContact CG-CE1 3.45Å; N278-H281 PolarHBondContact N-O 2.96Å; N278-H281 PolarHBondContact ND2-CE1 3.32Å; N278-H281 PolarHBondContact ND2-ND1 3.13Å; N278-H281 PolarHBondContact O-N 3.16Å; N278-H281 PolarHBondContact OD1-N 2.96Å; N278-H281 PolarHBondContact OD1-ND1 3Å; N278-H281 VanDerWaalsContact OD1-ND1 3.16Å | ||
| 279 | E | 96.8 | Very high | 96 | Very high | 83 Ų | 83 | 52 Ų | 52 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -59.2 | -16.5 | -178.3 | -67.8 | -165.1 | 165.4 | 0 | 0 | 115.4 | K231 V240 F241 | K231-E279 IonicContact NZ-OE1 3.96Å; K231-E279 PolarHBondContact NZ-OE1 2.87Å; K231-E279 IonicContact NZ-OE2 3.39Å; K231-E279 PolarHBondContact NZ-OE2 2.98Å; V240-E279 HydrophobicContact CB-CB 3.81Å; V240-E279 HydrophobicContact CB-CG 4.13Å; V240-E279 HydrophobicContact CG1-CB 3.97Å; V240-E279 HydrophobicContact CG1-CG 4.5Å; V240-E279 HydrophobicContact CG2-CB 4.42Å; V240-E279 HydrophobicContact CG2-CG 4.18Å; F241-E279 PolarHBondContact N-O 2.85Å |
| 280 | K | 96.5 | Very high | 96.1 | Very high | 187 Ų | 187 | 50.7 Ų | 50.7 | 81% | 0.813 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -106.1 | -28.5 | -177.3 | -61.6 | -176.7 | -179.9 | 179.9 | 0 | 114.1 | F241 N278 | F241-K280 WeakPolarHBondContact CE2-O 3.44Å; N278-K280 PolarHBondContact O-N 3.48Å; N278-K280 WeakPolarHBondContact OD1-CB 3.5Å; N278-K280 PolarHBondContact OD1-N 3.43Å |
| 281 | H | 96.3 | Very high | 96.1 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 48% | 0.481 | 26% | 0.255 | S | S | . | . | trans | -144.6 | 146.7 | -178.7 | 64.3 | -92.6 | 0 | 0 | 0 | 110.4 | G277 N278 | G277-H281 CarbonylContact C-O 3.59Å; G277-H281 VanDerWaalsContact CA-O 3.24Å; G277-H281 WeakPolarHBondContact CA-O 3.03Å; N278-H281 VanDerWaalsContact CG-CE1 3.45Å; N278-H281 PolarHBondContact N-O 2.96Å; N278-H281 PolarHBondContact ND2-CE1 3.32Å; N278-H281 PolarHBondContact ND2-ND1 3.13Å; N278-H281 PolarHBondContact O-N 3.16Å; N278-H281 PolarHBondContact OD1-N 2.96Å; N278-H281 PolarHBondContact OD1-ND1 3Å; N278-H281 VanDerWaalsContact OD1-ND1 3.16Å | ||
| 282 | V | 96.3 | Very high | 95.9 | Very high | 23 Ų | 23 | 52.1 Ų | 52.1 | 14% | 0.139 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 138.1 | 176.2 | 61.1 | 0 | 0 | 0 | 0 | 109.1 | F226 F241 C244 F257 Q276 | F226-V282 HydrophobicContact CD1-CB 4.37Å; F226-V282 HydrophobicContact CD1-CG1 3.29Å; F226-V282 HydrophobicContact CD1-CG2 4.14Å; F226-V282 HydrophobicContact CE1-CG1 3.53Å; F226-V282 HydrophobicContact CE1-CG2 4.43Å; F226-V282 HydrophobicContact CG-CG1 3.94Å; F226-V282 HydrophobicContact CZ-CG1 4.33Å; F241-V282 HydrophobicContact CB-CB 4.3Å; F241-V282 HydrophobicContact CB-CG1 4.41Å; F241-V282 HydrophobicContact CD1-CB 4.08Å; F241-V282 HydrophobicContact CD1-CG1 3.29Å; F241-V282 HydrophobicContact CD2-CG1 4.21Å; F241-V282 HydrophobicContact CE1-CG1 3.37Å; F241-V282 HydrophobicContact CE2-CG1 4.28Å; F241-V282 HydrophobicContact CG-CB 4.08Å; F241-V282 HydrophobicContact CG-CG1 3.73Å; F241-V282 HydrophobicContact CZ-CG1 3.89Å; C244-V282 VanDerWaalsContact SG-CG2 3.52Å; F257-V282 HydrophobicContact CE1-CB 4.24Å; F257-V282 HydrophobicContact CE1-CG2 4.04Å; Q276-V282 WeakPolarHBondContact O-CA 3.36Å |
| 283 | S | 94.7 | Very high | 95.5 | Very high | 41 Ų | 41 | 51.6 Ų | 51.6 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 155.3 | 173.6 | 58 | 0 | 0 | 0 | 0 | 110.1 | Q276 | Q276-S283 PolarHBondContact N-O 2.71Å; Q276-S283 PolarHBondContact O-N 2.76Å; Q276-S283 VanDerWaalsContact O-O 3.13Å |
| 284 | V | 94.1 | Very high | 95 | Very high | 67 Ų | 67 | 56 Ų | 56 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 121.8 | 172.4 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | C244 W261 M273 | C244-V284 HydrophobicContact CB-CG2 4.15Å; W261-V284 HydrophobicContact CH2-CB 4.26Å; W261-V284 HydrophobicContact CH2-CG1 3.47Å; W261-V284 VanDerWaalsContact CH2-CG1 3.47Å; W261-V284 HydrophobicContact CH2-CG2 3.84Å; W261-V284 HydrophobicContact CZ2-CG1 3.57Å; W261-V284 HydrophobicContact CZ2-CG2 4.39Å; M273-V284 HydrophobicContact CB-CG1 4.18Å; M273-V284 HydrophobicContact CE-CG1 3.53Å |
| 285 | E | 94.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 59.3 Ų | 59.3 | 39% | 0.393 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 146.5 | -176.4 | -63.5 | -170.2 | -173.6 | 0 | 0 | 111.4 | M273 V274 Q276 A287 | M273-E285 CarbonylContact C-O 3.5Å; M273-E285 VanDerWaalsContact CA-O 3.3Å; M273-E285 WeakPolarHBondContact CA-O 3.46Å; V274-E285 PolarHBondContact N-O 2.78Å; V274-E285 PolarHBondContact O-N 2.96Å; Q276-E285 HydrophobicContact CG-CB 4.43Å; Q276-E285 HydrophobicContact CG-CG 4.27Å; Q276-E285 VanDerWaalsContact NE2-CD 3.31Å; Q276-E285 PolarHBondContact NE2-OE2 2.83Å; Q276-E285 PolarHBondContact OE1-OE1 2.97Å; Q276-E285 PolarHBondContact OE1-OE2 2.76Å; E285-A287 PolarHBondContact O-N 3.4Å |
| 286 | V | 96.4 | Very high | 94 | Very high | 34 Ų | 34 | 60.8 Ų | 60.8 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.9 | 169.8 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | Y271 M273 V302 I324 | Y271-V286 HydrophobicContact CD1-CG1 3.72Å; Y271-V286 HydrophobicContact CD1-CG2 4.38Å; Y271-V286 HydrophobicContact CG-CG1 4.43Å; M273-V286 HydrophobicContact CE-CG2 3.71Å; M273-V286 HydrophobicContact SD-CG2 3.8Å; V286-V302 HydrophobicContact CB-CG2 4.32Å; V286-V302 HydrophobicContact CG1-CG2 3.99Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; V286-I324 HydrophobicContact CB-CB 4.01Å; V286-I324 HydrophobicContact CB-CG1 3.97Å; V286-I324 HydrophobicContact CB-CG2 4.2Å; V286-I324 HydrophobicContact CG1-CB 4.22Å; V286-I324 HydrophobicContact CG1-CG2 3.88Å; V286-I324 HydrophobicContact CG2-CB 4.03Å; V286-I324 HydrophobicContact CG2-CG1 4.27Å |
| 287 | A | 95.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 63.6 Ų | 63.6 | 27% | 0.273 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -40.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R272 V274 E285 V302 | R272-A287 PolarHBondContact O-N 2.8Å; V274-A287 HydrophobicContact CB-CB 4.49Å; V274-A287 HydrophobicContact CG2-CB 3.47Å; V274-A287 VanDerWaalsContact CG2-CB 3.47Å; E285-A287 PolarHBondContact O-N 3.4Å; A287-V302 PolarHBondContact O-N 2.89Å |
| 288 | E | 97.3 | Very high | 93.7 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 145.3 | -177.8 | -60.7 | 158.3 | -169.6 | 0 | 0 | 111.2 | Y271 R272 V299 L300 | Y271-E288 WeakPolarHBondContact CA-O 3.04Å; R272-E288 HydrophobicContact CB-CB 3.94Å; R272-E288 WeakPolarHBondContact CD-OE2 3.42Å; R272-E288 IonicContact CZ-OE1 3.87Å; R272-E288 PolarHBondContact N-O 2.95Å; R272-E288 IonicContact NH1-OE1 2.71Å; R272-E288 PolarHBondContact NH1-OE1 2.04Å; R272-E288 IonicContact NH1-OE2 3.11Å; R272-E288 PolarHBondContact O-N 2.91Å; E288-V299 HydrophobicContact CB-CG1 3.72Å; E288-V299 HydrophobicContact CG-CG1 3.88Å; E288-V299 VanDerWaalsContact OE2-CG1 3.27Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.37Å; E288-L300 CarbonylContact C-O 3.58Å; E288-L300 WeakPolarHBondContact CA-O 3.46Å |
| 289 | C | 97 | Very high | 93.7 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.4 | 163.1 | -55.1 | 0 | 0 | 0 | 0 | 109.5 | Y271 V299 L300 F314 C316 A326 | Y271-C289 HydrophobicContact CD1-CB 4.43Å; Y271-C289 HydrophobicContact CE1-CB 4.49Å; C289-V299 WeakPolarHBondContact O-CA 3.5Å; C289-L300 PolarHBondContact N-O 3.46Å; C289-L300 PolarHBondContact O-N 3.47Å; C289-F314 HydrophobicContact CB-CE1 4.49Å; C289-F314 HydrophobicContact CB-CE2 4.21Å; C289-F314 HydrophobicContact CB-CZ 3.61Å; C289-C316 HydrophobicContact CB-CB 3.47Å; C289-C316 VanDerWaalsContact CB-CB 3.47Å; C289-C316 WeakPolarHBondContact CB-SG 3.48Å; C289-C316 PolarHBondContact N-SG 2.76Å; C289-C316 VanDerWaalsContact N-SG 3.38Å; C289-C316 WeakPolarHBondContact SG-CA 3.2Å; C289-C316 WeakPolarHBondContact SG-CB 3.29Å; C289-C316 CovalentContact SG-SG 2.03Å; C289-C316 PolarHBondContact SG-SG 3.22Å; C289-A326 HydrophobicContact CB-CB 3.75Å |
| 290 | I | 96.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 126.3 | -175.3 | -54.7 | 160 | 0 | 0 | 0 | 108.6 | Y262 L269 S270 R272 R297 K298 V299 | Y262-I290 HydrophobicContact CD1-CD1 3.3Å; Y262-I290 HydrophobicContact CE1-CD1 3.35Å; L269-I290 CarbonylContact C-O 3.5Å; L269-I290 WeakPolarHBondContact CA-O 3.47Å; S270-I290 PolarHBondContact N-O 3.29Å; S270-I290 PolarHBondContact O-N 3.07Å; R272-I290 HydrophobicContact CB-CD1 4.27Å; I290-R297 HydrophobicContact CG2-CG 3.97Å; I290-K298 WeakPolarHBondContact CA-O 3.04Å; I290-V299 HydrophobicContact CG1-CG1 4.29Å; I290-V299 HydrophobicContact CG1-CG2 4.24Å; I290-V299 HydrophobicContact CG2-CG2 4.35Å |
| 291 | A | 94.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 130.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | S268 L269 R297 K298 Y308 F314 L328 | S268-A291 WeakPolarHBondContact O-CA 3.49Å; L269-A291 HydrophobicContact CD2-CB 3.88Å; A291-R297 CarbonylContact O-C 3.53Å; A291-R297 WeakPolarHBondContact O-CA 3.45Å; A291-K298 PolarHBondContact N-O 3Å; A291-K298 PolarHBondContact O-N 3.46Å; A291-Y308 HydrophobicContact CB-CD2 4.03Å; A291-Y308 HydrophobicContact CB-CE2 3.67Å; A291-F314 HydrophobicContact CB-CD1 3.98Å; A291-F314 HydrophobicContact CB-CD2 4.04Å; A291-F314 HydrophobicContact CB-CE1 3.85Å; A291-F314 HydrophobicContact CB-CE2 3.94Å; A291-F314 HydrophobicContact CB-CG 4.09Å; A291-F314 HydrophobicContact CB-CZ 3.84Å; A291-L328 HydrophobicContact CB-CD1 4.29Å |
| 292 | N | 91.4 | Very high | 93.3 | Very high | 99 Ų | 99 | 51.2 Ų | 51.2 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 97.8 | 177.2 | -167.6 | 15.9 | 0 | 0 | 0 | 109.8 | S268 | S268-N292 WeakPolarHBondContact CB-O 3.35Å; S268-N292 PolarHBondContact O-N 2.85Å |
| 293 | L | 87.5 | Confident | 93.1 | Very high | 56 Ų | 56 | 51.6 Ų | 51.6 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | -166.9 | -179.9 | -71.1 | 169 | 0 | 0 | 0 | 111.1 | S268 Q295 G296 Y308 L328 | S268-L293 WeakPolarHBondContact OG-CD2 3.39Å; S268-L293 WeakPolarHBondContact OG-CG 3.41Å; L293-Q295 PolarHBondContact O-N 2.82Å; L293-Q295 VanDerWaalsContact O-N 3.13Å; L293-G296 PolarHBondContact O-N 3.02Å; L293-Y308 WeakPolarHBondContact CA-OH 3.39Å; L293-Y308 HydrophobicContact CB-CE1 3.89Å; L293-Y308 VanDerWaalsContact CB-OH 3.27Å; L293-Y308 WeakPolarHBondContact CB-OH 3.4Å; L293-Y308 HydrophobicContact CD1-CE1 4.01Å; L293-Y308 HydrophobicContact CG-CE1 4.48Å; L293-Y308 PolarHBondContact N-OH 2.86Å; L293-L328 HydrophobicContact CD1-CD1 3.32Å; L293-L328 HydrophobicContact CG-CD1 4.39Å |
| 294 | D | 86.1 | Confident | 92.9 | Very high | 120 Ų | 120 | 53.1 Ų | 53.1 | 64% | 0.642 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -42.8 | -36.5 | 175.1 | 55.3 | -23 | 0 | 0 | 0 | 115 | R312 | D294-R312 IonicContact OD1-NH1 2.62Š|
| 295 | Q | 83.4 | Confident | 92.7 | Very high | 89 Ų | 89 | 50 Ų | 50 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 9.1 | -179.2 | -64.3 | 163 | -7.1 | 0 | 0 | 113.9 | L293 Y308 G309 | L293-Q295 PolarHBondContact O-N 2.82Å; L293-Q295 VanDerWaalsContact O-N 3.13Å; Q295-Y308 HydrophobicContact CB-CE1 4.07Å; Q295-Y308 VanDerWaalsContact OE1-C 3.22Å; Q295-Y308 PolarHBondContact OE1-O 2.85Å; Q295-G309 VanDerWaalsContact CD-CA 3.4Å |
| 296 | G | 89.6 | Confident | 92.4 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 97 | -168.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L293 Y308 | L293-G296 PolarHBondContact O-N 3.02Å; G296-Y308 PolarHBondContact O-OH 2.83Å |
| 297 | R | 92.9 | Very high | 92 | Very high | 140 Ų | 140 | 48.9 Ų | 48.9 | 53% | 0.528 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.8 | -176 | -174.6 | -178.3 | 176.5 | -144.7 | -0.2 | 111.2 | Y262 I290 A291 V299 | Y262-R297 PolarHBondContact OH-NH2 3.13Å; I290-R297 HydrophobicContact CG2-CG 3.97Å; A291-R297 CarbonylContact O-C 3.53Å; A291-R297 WeakPolarHBondContact O-CA 3.45Å; R297-V299 HydrophobicContact CG-CG2 4.28Å |
| 298 | K | 93.8 | Very high | 91.6 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138.5 | 169.3 | -166.9 | 73.2 | 173.6 | -171.9 | 0 | 109.9 | I290 A291 D306 Y308 F314 | I290-K298 WeakPolarHBondContact CA-O 3.04Å; A291-K298 PolarHBondContact N-O 3Å; A291-K298 PolarHBondContact O-N 3.46Å; K298-D306 WeakPolarHBondContact CE-OD2 3.09Å; K298-D306 IonicContact NZ-OD2 2.86Å; K298-D306 PolarHBondContact NZ-OD2 3.4Å; K298-Y308 HydrophobicContact CB-CD2 3.59Å; K298-Y308 HydrophobicContact CB-CE2 3.53Å; K298-Y308 HydrophobicContact CG-CD2 4.14Å; K298-F314 HydrophobicContact CB-CD1 4.16Å; K298-F314 HydrophobicContact CG-CD1 3.88Å; K298-F314 HydrophobicContact CG-CE1 4.47Å |
| 299 | V | 95.1 | Very high | 91 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 32% | 0.315 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132 | 180 | -175.4 | 0 | 0 | 0 | 0 | 108.1 | E288 C289 I290 R297 | E288-V299 HydrophobicContact CB-CG1 3.72Å; E288-V299 HydrophobicContact CG-CG1 3.88Å; E288-V299 VanDerWaalsContact OE2-CG1 3.27Å; E288-V299 WeakPolarHBondContact OE2-CG1 3.37Å; C289-V299 WeakPolarHBondContact O-CA 3.5Å; I290-V299 HydrophobicContact CG1-CG1 4.29Å; I290-V299 HydrophobicContact CG1-CG2 4.24Å; I290-V299 HydrophobicContact CG2-CG2 4.35Å; R297-V299 HydrophobicContact CG-CG2 4.28Å |
| 300 | L | 94.7 | Very high | 90.3 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.2 | 177.1 | -66.6 | 179.6 | 0 | 0 | 0 | 109.8 | E288 C289 D306 F314 C316 | E288-L300 CarbonylContact C-O 3.58Å; E288-L300 WeakPolarHBondContact CA-O 3.46Å; C289-L300 PolarHBondContact N-O 3.46Å; C289-L300 PolarHBondContact O-N 3.47Å; L300-D306 HydrophobicContact CD2-CB 3.74Å; L300-F314 HydrophobicContact CB-CD1 4.41Å; L300-F314 HydrophobicContact CB-CE1 4.05Å; L300-F314 HydrophobicContact CD1-CB 4.08Å; L300-F314 HydrophobicContact CD1-CD1 3.23Å; L300-F314 HydrophobicContact CD1-CD2 4.45Å; L300-F314 HydrophobicContact CD1-CE1 3.68Å; L300-F314 HydrophobicContact CD1-CG 3.66Å; L300-F314 HydrophobicContact CD1-CZ 4.43Å; L300-F314 VanDerWaalsContact CD1-O 3.24Å; L300-F314 WeakPolarHBondContact CD1-O 3.45Å; L300-F314 HydrophobicContact CG-CD1 3.52Å; L300-F314 HydrophobicContact CG-CE1 3.63Å; L300-F314 HydrophobicContact CG-CG 4.43Å; L300-C316 HydrophobicContact CB-CB 3.91Å |
| 301 | A | 94.5 | Very high | 89.7 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 153.6 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G303 H304 | A301-G303 PolarHBondContact O-N 2.91Å; A301-H304 WeakPolarHBondContact O-CB 3.38Å; A301-H304 PolarHBondContact O-N 2.84Å; A301-H304 PolarHBondContact O-ND1 3.44Å |
| 302 | V | 93.3 | Very high | 89.4 | Confident | 47 Ų | 47 | 57.8 Ų | 57.8 | 29% | 0.285 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 136.7 | 173.4 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | V286 A287 H304 I324 | V286-V302 HydrophobicContact CB-CG2 4.32Å; V286-V302 HydrophobicContact CG1-CG2 3.99Å; V286-V302 WeakPolarHBondContact O-CG2 3.44Å; A287-V302 PolarHBondContact O-N 2.89Å; V302-H304 PolarHBondContact O-ND1 2.93Å; V302-I324 HydrophobicContact CG1-CD1 3.53Å; V302-I324 HydrophobicContact CG1-CG1 4.1Å; V302-I324 HydrophobicContact CG1-CG2 4.26Å; V302-I324 HydrophobicContact CG2-CG1 4.29Å; V302-I324 HydrophobicContact CG2-CG2 3.96Å |
| 303 | G | 91.2 | Very high | 89.3 | Confident | 31 Ų | 31 | 53 Ų | 53 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -2.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | A301 C316 | A301-G303 PolarHBondContact O-N 2.91Å; G303-C316 PolarHBondContact N-O 3.29Å |
| 304 | H | 91.2 | Very high | 89.5 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 157.3 | -175.4 | -61.8 | 73.9 | 0 | 0 | 0 | 112.6 | A301 V302 C316 | A301-H304 WeakPolarHBondContact O-CB 3.38Å; A301-H304 PolarHBondContact O-N 2.84Å; A301-H304 PolarHBondContact O-ND1 3.44Å; V302-H304 PolarHBondContact O-ND1 2.93Å; H304-C316 PolarHBondContact O-N 2.9Å |
| 305 | C | 89 | Confident | 89.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 155.6 | 167.2 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | M313 F314 T315 C349 P350 | C305-M313 HydrophobicContact CB-CE 4.24Å; C305-F314 CarbonylContact C-O 3.51Å; C305-F314 WeakPolarHBondContact CA-O 3.25Å; C305-F314 WeakPolarHBondContact CB-O 3.29Å; C305-T315 HydrophobicContact CB-CG2 3.77Å; C305-C349 HydrophobicContact CB-CB 3.99Å; C305-C349 WeakPolarHBondContact CB-SG 3.48Å; C305-C349 PolarHBondContact N-SG 3.18Å; C305-C349 VanDerWaalsContact SG-C 3.54Å; C305-C349 WeakPolarHBondContact SG-CB 3.31Å; C305-C349 CovalentContact SG-SG 2.02Å; C305-C349 PolarHBondContact SG-SG 2.83Å; C305-P350 PolarHBondContact SG-O 2.9Å |
| 306 | D | 89.1 | Confident | 90.3 | Very high | 26 Ų | 26 | 40.6 Ų | 40.6 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 160 | 174.8 | -161.7 | -6.8 | 0 | 0 | 0 | 109.4 | K298 L300 F314 | K298-D306 WeakPolarHBondContact CE-OD2 3.09Å; K298-D306 IonicContact NZ-OD2 2.86Å; K298-D306 PolarHBondContact NZ-OD2 3.4Å; L300-D306 HydrophobicContact CD2-CB 3.74Å; D306-F314 PolarHBondContact N-O 2.77Å; D306-F314 PolarHBondContact O-N 2.84Å |
| 307 | K | 86.9 | Confident | 90.4 | Very high | 69 Ų | 69 | 40.1 Ų | 40.1 | 30% | 0.3 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 137.3 | 173.5 | -153 | -169.4 | -177 | -158.2 | 0 | 109.6 | G309 D310 M313 | K307-G309 WeakPolarHBondContact CD-O 3.36Å; K307-G309 WeakPolarHBondContact CE-O 3.38Å; K307-G309 WeakPolarHBondContact CG-O 3.48Å; K307-G309 PolarHBondContact NZ-O 2.82Å; K307-D310 IonicContact NZ-OD1 2.75Å; K307-D310 PolarHBondContact NZ-OD1 2.91Å; K307-M313 HydrophobicContact CB-SD 4.14Å; K307-M313 HydrophobicContact CG-SD 4.21Å |
| 308 | Y | 87.6 | Confident | 90.3 | Very high | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 90.3 | 172.5 | -166.6 | -82.3 | 0 | 0 | 0 | 107.4 | A291 L293 Q295 G296 K298 R312 F314 L328 | A291-Y308 HydrophobicContact CB-CD2 4.03Å; A291-Y308 HydrophobicContact CB-CE2 3.67Å; L293-Y308 WeakPolarHBondContact CA-OH 3.39Å; L293-Y308 HydrophobicContact CB-CE1 3.89Å; L293-Y308 VanDerWaalsContact CB-OH 3.27Å; L293-Y308 WeakPolarHBondContact CB-OH 3.4Å; L293-Y308 HydrophobicContact CD1-CE1 4.01Å; L293-Y308 HydrophobicContact CG-CE1 4.48Å; L293-Y308 PolarHBondContact N-OH 2.86Å; Q295-Y308 HydrophobicContact CB-CE1 4.07Å; Q295-Y308 VanDerWaalsContact OE1-C 3.22Å; Q295-Y308 PolarHBondContact OE1-O 2.85Å; G296-Y308 PolarHBondContact O-OH 2.83Å; K298-Y308 HydrophobicContact CB-CD2 3.59Å; K298-Y308 HydrophobicContact CB-CE2 3.53Å; K298-Y308 HydrophobicContact CG-CD2 4.14Å; Y308-R312 PolarHBondContact N-O 3.07Å; Y308-R312 WeakPolarHBondContact O-CB 3.49Å; Y308-F314 HydrophobicContact CD2-CB 4.31Å; Y308-F314 HydrophobicContact CG-CB 4.49Å; Y308-L328 HydrophobicContact CD1-CD2 3.91Å; Y308-L328 HydrophobicContact CD2-CD2 4.18Å; Y308-L328 HydrophobicContact CG-CD2 3.67Å |
| 309 | G | 84.9 | Confident | 89.9 | Confident | 28 Ų | 28 | 40.5 Ų | 40.5 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -146.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q295 K307 | Q295-G309 VanDerWaalsContact CD-CA 3.4Å; K307-G309 WeakPolarHBondContact CD-O 3.36Å; K307-G309 WeakPolarHBondContact CE-O 3.38Å; K307-G309 WeakPolarHBondContact CG-O 3.48Å; K307-G309 PolarHBondContact NZ-O 2.82Å |
| 310 | D | 82.6 | Confident | 89.4 | Confident | 113 Ų | 113 | 46.7 Ų | 46.7 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -23.5 | -179.7 | -71 | -38.3 | 0 | 0 | 0 | 114.6 | K307 | K307-D310 IonicContact NZ-OD1 2.75Å; K307-D310 PolarHBondContact NZ-OD1 2.91Å |
| 311 | D | 85.1 | Confident | 89 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -4.8 | -169.1 | 66.4 | -41.3 | 0 | 0 | 0 | 113.3 | T330 I331 | D311-T330 CarbonylContact O-C 3.57Å; D311-T330 WeakPolarHBondContact O-CA 3.3Å; D311-T330 WeakPolarHBondContact O-CG2 3.49Å; D311-I331 PolarHBondContact O-N 3.06Å |
| 312 | R | 88.2 | Confident | 88.6 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 23% | 0.234 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152 | -174.5 | -57.6 | 169.2 | -158.1 | 163.1 | 5.4 | 113.7 | D294 Y308 L328 T329 | D294-R312 IonicContact OD1-NH1 2.62Å; Y308-R312 PolarHBondContact N-O 3.07Å; Y308-R312 WeakPolarHBondContact O-CB 3.49Å; R312-L328 HydrophobicContact CB-CD2 4.47Å; R312-T329 CarbonylContact C-O 3.46Å; R312-T329 VanDerWaalsContact CA-O 3.25Å; R312-T329 WeakPolarHBondContact CA-O 3.26Å |
| 313 | M | 87.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.9 | 166.1 | -72.9 | -62 | -62.8 | 0 | 0 | 109.8 | C305 K307 L328 T329 I331 L336 F341 M351 | C305-M313 HydrophobicContact CB-CE 4.24Å; K307-M313 HydrophobicContact CB-SD 4.14Å; K307-M313 HydrophobicContact CG-SD 4.21Å; M313-L328 WeakPolarHBondContact O-CA 3.49Å; M313-T329 PolarHBondContact N-O 3.44Å; M313-T329 PolarHBondContact O-N 3.33Å; M313-I331 HydrophobicContact CB-CG2 4.05Å; M313-I331 HydrophobicContact CG-CB 4.39Å; M313-I331 HydrophobicContact CG-CD1 3.89Å; M313-I331 HydrophobicContact CG-CG1 4.25Å; M313-I331 HydrophobicContact CG-CG2 3.35Å; M313-I331 HydrophobicContact SD-CD1 4.13Å; M313-L336 HydrophobicContact SD-CD2 4.44Å; M313-F341 HydrophobicContact CB-CD1 4.25Å; M313-F341 HydrophobicContact CB-CE1 3.89Å; M313-F341 HydrophobicContact CB-CE2 4.47Å; M313-F341 HydrophobicContact CB-CZ 4.01Å; M313-F341 HydrophobicContact CE-CB 4Å; M313-F341 HydrophobicContact CE-CD1 4.23Å; M313-F341 HydrophobicContact CE-CG 4.02Å; M313-F341 HydrophobicContact CG-CD1 4.19Å; M313-F341 HydrophobicContact CG-CD2 3.94Å; M313-F341 HydrophobicContact CG-CE1 4.07Å; M313-F341 HydrophobicContact CG-CE2 3.85Å; M313-F341 HydrophobicContact CG-CG 4.12Å; M313-F341 HydrophobicContact CG-CZ 3.9Å; M313-M351 HydrophobicContact CE-CG 4.4Å; M313-M351 HydrophobicContact CE-SD 3.87Å |
| 314 | F | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.1 | 170.2 | -179.2 | -144 | 0 | 0 | 0 | 109.2 | L269 C289 A291 K298 L300 C305 D306 Y308 A326 R327 L328 | L269-F314 HydrophobicContact CD2-CD2 4.5Å; L269-F314 HydrophobicContact CD2-CE2 3.9Å; C289-F314 HydrophobicContact CB-CE1 4.49Å; C289-F314 HydrophobicContact CB-CE2 4.21Å; C289-F314 HydrophobicContact CB-CZ 3.61Å; A291-F314 HydrophobicContact CB-CD1 3.98Å; A291-F314 HydrophobicContact CB-CD2 4.04Å; A291-F314 HydrophobicContact CB-CE1 3.85Å; A291-F314 HydrophobicContact CB-CE2 3.94Å; A291-F314 HydrophobicContact CB-CG 4.09Å; A291-F314 HydrophobicContact CB-CZ 3.84Å; K298-F314 HydrophobicContact CB-CD1 4.16Å; K298-F314 HydrophobicContact CG-CD1 3.88Å; K298-F314 HydrophobicContact CG-CE1 4.47Å; L300-F314 HydrophobicContact CB-CD1 4.41Å; L300-F314 HydrophobicContact CB-CE1 4.05Å; L300-F314 HydrophobicContact CD1-CB 4.08Å; L300-F314 HydrophobicContact CD1-CD1 3.23Å; L300-F314 HydrophobicContact CD1-CD2 4.45Å; L300-F314 HydrophobicContact CD1-CE1 3.68Å; L300-F314 HydrophobicContact CD1-CG 3.66Å; L300-F314 HydrophobicContact CD1-CZ 4.43Å; L300-F314 VanDerWaalsContact CD1-O 3.24Å; L300-F314 WeakPolarHBondContact CD1-O 3.45Å; L300-F314 HydrophobicContact CG-CD1 3.52Å; L300-F314 HydrophobicContact CG-CE1 3.63Å; L300-F314 HydrophobicContact CG-CG 4.43Å; C305-F314 CarbonylContact C-O 3.51Å; C305-F314 WeakPolarHBondContact CA-O 3.25Å; C305-F314 WeakPolarHBondContact CB-O 3.29Å; D306-F314 PolarHBondContact N-O 2.77Å; D306-F314 PolarHBondContact O-N 2.84Å; Y308-F314 HydrophobicContact CD2-CB 4.31Å; Y308-F314 HydrophobicContact CG-CB 4.49Å; F314-A326 HydrophobicContact CE2-CB 4.08Å; F314-R327 WeakPolarHBondContact CA-O 2.89Å; F314-R327 WeakPolarHBondContact CD2-O 3.46Å; F314-L328 HydrophobicContact CB-CD2 3.87Å; F314-L328 HydrophobicContact CD2-CD2 4.21Å; F314-L328 HydrophobicContact CD2-CG 4.25Å; F314-L328 HydrophobicContact CG-CD2 4.32Å |
| 315 | T | 92.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143 | 179.6 | 70.2 | 0 | 0 | 0 | 0 | 110.8 | C305 A326 R327 F341 T343 | C305-T315 HydrophobicContact CB-CG2 3.77Å; T315-A326 CarbonylContact O-C 3.58Å; T315-A326 VanDerWaalsContact O-CA 3.3Å; T315-A326 WeakPolarHBondContact O-CA 3.21Å; T315-R327 PolarHBondContact N-O 3.11Å; T315-R327 PolarHBondContact O-N 3.43Å; T315-F341 HydrophobicContact CG2-CD1 4.45Å; T315-F341 HydrophobicContact CG2-CE1 4.38Å; T315-T343 HydrophobicContact CG2-CG2 4.19Å |
| 316 | C | 94.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 82.3 | 174.6 | -172.5 | 0 | 0 | 0 | 0 | 109 | C289 L300 G303 H304 | C289-C316 HydrophobicContact CB-CB 3.47Å; C289-C316 VanDerWaalsContact CB-CB 3.47Å; C289-C316 WeakPolarHBondContact CB-SG 3.48Å; C289-C316 PolarHBondContact N-SG 2.76Å; C289-C316 VanDerWaalsContact N-SG 3.38Å; C289-C316 WeakPolarHBondContact SG-CA 3.2Å; C289-C316 WeakPolarHBondContact SG-CB 3.29Å; C289-C316 CovalentContact SG-SG 2.03Å; C289-C316 PolarHBondContact SG-SG 3.22Å; L300-C316 HydrophobicContact CB-CB 3.91Å; G303-C316 PolarHBondContact N-O 3.29Å; H304-C316 PolarHBondContact O-N 2.9Å |
| 317 | L | 92.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 52.6 Ų | 52.6 | 11% | 0.105 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 150 | -166.4 | -61.2 | 176.2 | 0 | 0 | 0 | 112.4 | L325 T343 C349 | L317-L325 PolarHBondContact N-O 2.92Å; L317-L325 VanDerWaalsContact N-O 3.1Å; L317-L325 PolarHBondContact O-N 3.39Å; L317-T343 HydrophobicContact CD1-CG2 4.19Å; L317-C349 HydrophobicContact CD1-CB 3.96Å; L317-C349 HydrophobicContact CD2-CB 4.39Å |
| 318 | K | 90.3 | Very high | 88.8 | Confident | 137 Ų | 137 | 51.4 Ų | 51.4 | 60% | 0.596 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 120.3 | 172.2 | -171.5 | 170.6 | -176.7 | 177.8 | 0 | 109.2 | G322 I324 | K318-G322 WeakPolarHBondContact CE-O 3.02Å; K318-I324 HydrophobicContact CB-CD1 3.59Å; K318-I324 HydrophobicContact CD-CD1 4.33Å; K318-I324 HydrophobicContact CG-CD1 3.82Å |
| 319 | H | 86.4 | Confident | 88.8 | Confident | 64 Ų | 64 | 52 Ų | 52 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | trans | -74.8 | 163.5 | 174.2 | -171.3 | -105.7 | 0 | 0 | 0 | 111.2 | S321 G322 A323 L325 | H319-S321 PolarHBondContact ND1-N 3.32Å; H319-S321 PolarHBondContact ND1-OG 3.41Å; H319-S321 PolarHBondContact O-N 3.04Å; H319-G322 WeakPolarHBondContact O-CA 3.44Å; H319-G322 PolarHBondContact O-N 2.68Å; H319-A323 WeakPolarHBondContact CB-O 3.24Å; H319-A323 PolarHBondContact N-O 2.95Å; H319-L325 HydrophobicContact CB-CD1 3.78Å; H319-L325 HydrophobicContact CB-CG 4.15Å | ||
| 320 | E | 83.1 | Confident | 88.8 | Confident | 182 Ų | 182 | 55.3 Ų | 55.3 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -32 | 178.3 | -64.1 | -172.8 | 164.1 | 0 | 0 | 113 | G322 | E320-G322 PolarHBondContact O-N 3.09Š|
| 321 | S | 86.8 | Confident | 88.4 | Confident | 90 Ų | 90 | 50.9 Ų | 50.9 | 63% | 0.629 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -6.3 | 174.3 | 60.8 | 0 | 0 | 0 | 0 | 114.1 | H319 A323 | H319-S321 PolarHBondContact ND1-N 3.32Å; H319-S321 PolarHBondContact ND1-OG 3.41Å; H319-S321 PolarHBondContact O-N 3.04Å; S321-A323 VanDerWaalsContact C-N 3.29Å; S321-A323 PolarHBondContact O-N 2.95Å |
| 322 | G | 85.9 | Confident | 87.6 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 86.2 | -9.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K318 H319 E320 | K318-G322 WeakPolarHBondContact CE-O 3.02Å; H319-G322 WeakPolarHBondContact O-CA 3.44Å; H319-G322 PolarHBondContact O-N 2.68Å; E320-G322 PolarHBondContact O-N 3.09Å |
| 323 | A | 89.5 | Confident | 86.1 | Confident | 47 Ų | 47 | 60 Ų | 60 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | trans | -70.6 | 143.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | H319 S321 | H319-A323 WeakPolarHBondContact CB-O 3.24Å; H319-A323 PolarHBondContact N-O 2.95Å; S321-A323 VanDerWaalsContact C-N 3.29Å; S321-A323 PolarHBondContact O-N 2.95Å | ||
| 324 | I | 92.8 | Very high | 84.6 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 128.4 | 170.4 | -55 | -48.3 | 0 | 0 | 0 | 108.8 | V286 V302 K318 | V286-I324 HydrophobicContact CB-CB 4.01Å; V286-I324 HydrophobicContact CB-CG1 3.97Å; V286-I324 HydrophobicContact CB-CG2 4.2Å; V286-I324 HydrophobicContact CG1-CB 4.22Å; V286-I324 HydrophobicContact CG1-CG2 3.88Å; V286-I324 HydrophobicContact CG2-CB 4.03Å; V286-I324 HydrophobicContact CG2-CG1 4.27Å; V302-I324 HydrophobicContact CG1-CD1 3.53Å; V302-I324 HydrophobicContact CG1-CG1 4.1Å; V302-I324 HydrophobicContact CG1-CG2 4.26Å; V302-I324 HydrophobicContact CG2-CG1 4.29Å; V302-I324 HydrophobicContact CG2-CG2 3.96Å; K318-I324 HydrophobicContact CB-CD1 3.59Å; K318-I324 HydrophobicContact CD-CD1 4.33Å; K318-I324 HydrophobicContact CG-CD1 3.82Å |
| 325 | L | 91.1 | Very high | 82.7 | Confident | 56 Ų | 56 | 74.4 Ų | 74.4 | 29% | 0.293 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.8 | 178.8 | -64.6 | 179.2 | 0 | 0 | 0 | 110.3 | L317 H319 | L317-L325 PolarHBondContact N-O 2.92Å; L317-L325 VanDerWaalsContact N-O 3.1Å; L317-L325 PolarHBondContact O-N 3.39Å; H319-L325 HydrophobicContact CB-CD1 3.78Å; H319-L325 HydrophobicContact CB-CG 4.15Å |
| 326 | A | 93.1 | Very high | 80.9 | Confident | 8 Ų | 8 | 77.2 Ų | 77.2 | 7% | 0.066 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 129.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | L269 Y271 C289 F314 T315 | L269-A326 HydrophobicContact CB-CB 4.46Å; L269-A326 HydrophobicContact CD1-CB 4.06Å; L269-A326 WeakPolarHBondContact CD1-O 3.12Å; L269-A326 HydrophobicContact CD2-CB 4.34Å; Y271-A326 HydrophobicContact CE1-CB 3.61Å; Y271-A326 WeakPolarHBondContact OH-CB 3.5Å; Y271-A326 PolarHBondContact OH-N 3.4Å; C289-A326 HydrophobicContact CB-CB 3.75Å; F314-A326 HydrophobicContact CE2-CB 4.08Å; T315-A326 CarbonylContact O-C 3.58Å; T315-A326 VanDerWaalsContact O-CA 3.3Å; T315-A326 WeakPolarHBondContact O-CA 3.21Å |
| 327 | R | 90.9 | Very high | 79.1 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 143.4 | 174.1 | -66.2 | -173.2 | -176.3 | 174.8 | 6 | 112.3 | F314 T315 D345 | F314-R327 WeakPolarHBondContact CA-O 2.89Å; F314-R327 WeakPolarHBondContact CD2-O 3.46Å; T315-R327 PolarHBondContact N-O 3.11Å; T315-R327 PolarHBondContact O-N 3.43Å; R327-D345 IonicContact CZ-OD2 2.78Å; R327-D345 IonicContact NH1-OD2 3.75Å; R327-D345 PolarHBondContact NH1-OD2 3.35Å; R327-D345 IonicContact NH2-OD2 2.63Å; R327-D345 PolarHBondContact NH2-OD2 2.96Å |
| 328 | L | 88.7 | Confident | 77.5 | Confident | 45 Ų | 45 | 88 Ų | 88 | 24% | 0.236 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.1 | 165.8 | -77.5 | 160.4 | 0 | 0 | 0 | 107.9 | L269 A291 L293 Y308 R312 M313 F314 | L269-L328 HydrophobicContact CD2-CD1 3.93Å; L269-L328 HydrophobicContact CD2-CG 4.27Å; A291-L328 HydrophobicContact CB-CD1 4.29Å; L293-L328 HydrophobicContact CD1-CD1 3.32Å; L293-L328 HydrophobicContact CG-CD1 4.39Å; Y308-L328 HydrophobicContact CD1-CD2 3.91Å; Y308-L328 HydrophobicContact CD2-CD2 4.18Å; Y308-L328 HydrophobicContact CG-CD2 3.67Å; R312-L328 HydrophobicContact CB-CD2 4.47Å; M313-L328 WeakPolarHBondContact O-CA 3.49Å; F314-L328 HydrophobicContact CB-CD2 3.87Å; F314-L328 HydrophobicContact CD2-CD2 4.21Å; F314-L328 HydrophobicContact CD2-CG 4.25Å; F314-L328 HydrophobicContact CG-CD2 4.32Å |
| 329 | T | 86.9 | Confident | 76.1 | Confident | 19 Ų | 19 | 89 Ų | 89 | 12% | 0.117 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.9 | -177.7 | -53.8 | 0 | 0 | 0 | 0 | 109.2 | R312 M313 I344 | R312-T329 CarbonylContact C-O 3.46Å; R312-T329 VanDerWaalsContact CA-O 3.25Å; R312-T329 WeakPolarHBondContact CA-O 3.26Å; M313-T329 PolarHBondContact N-O 3.44Å; M313-T329 PolarHBondContact O-N 3.33Å; T329-I344 HydrophobicContact CG2-CD1 3.57Å; T329-I344 HydrophobicContact CG2-CG1 3.97Å |
| 330 | T | 84.1 | Confident | 74.9 | Confident | 99 Ų | 99 | 92.9 Ų | 92.9 | 61% | 0.607 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 136 | 173.6 | -47.8 | 0 | 0 | 0 | 0 | 110.2 | D311 | D311-T330 CarbonylContact O-C 3.57Å; D311-T330 WeakPolarHBondContact O-CA 3.3Å; D311-T330 WeakPolarHBondContact O-CG2 3.49Å |
| 331 | I | 75.6 | Confident | 74.2 | Confident | 20 Ų | 20 | 84.8 Ų | 84.8 | 10% | 0.103 | 45% | 0.445 | C | S | . | . | trans | -116.8 | 141.3 | 178.2 | 51.6 | 162.7 | 0 | 0 | 0 | 111.6 | D311 M313 L336 F341 | D311-I331 PolarHBondContact O-N 3.06Å; M313-I331 HydrophobicContact CB-CG2 4.05Å; M313-I331 HydrophobicContact CG-CB 4.39Å; M313-I331 HydrophobicContact CG-CD1 3.89Å; M313-I331 HydrophobicContact CG-CG1 4.25Å; M313-I331 HydrophobicContact CG-CG2 3.35Å; M313-I331 HydrophobicContact SD-CD1 4.13Å; I331-L336 HydrophobicContact CD1-CD1 4.05Å; I331-L336 HydrophobicContact CD1-CD2 4.09Å; I331-L336 HydrophobicContact CD1-CG 4.22Å; I331-F341 HydrophobicContact CG2-CD2 4.32Å; I331-F341 HydrophobicContact CG2-CE2 3.39Å; I331-F341 HydrophobicContact CG2-CZ 3.72Å | ||
| 332 | H | 67.5 | Low | 73.1 | Confident | 151 Ų | 151 | 84 Ų | 84 | 70% | 0.699 | 44% | 0.436 | S | S | * | . | trans | -88.1 | 132.4 | 164.1 | -67.6 | -67.9 | 0 | 0 | 0 | 108.6 | E334 I335 | H332-E334 PolarHBondContact O-N 3.02Å; H332-I335 PolarHBondContact O-N 2.94Å | ||
| 333 | Q | 56.8 | Low | 72 | Confident | 158 Ų | 158 | 82.9 Ų | 82.9 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -52.3 | -24.1 | -172.2 | -89.1 | 176.4 | -31.5 | 0 | 0 | 114.6 | I335 | Q333-I335 VanDerWaalsContact C-N 3.26Å; Q333-I335 PolarHBondContact O-N 3.31Å |
| 334 | E | 55.1 | Low | 70.7 | Confident | 193 Ų | 193 | 87.6 Ų | 87.6 | 90% | 0.902 | 44% | 0.439 | S | S | * | . | G | 310 helix | trans | -70.1 | -12.3 | -175.4 | -65.3 | 178.8 | 173.4 | 0 | 0 | 114.8 | H332 | H332-E334 PolarHBondContact O-N 3.02Š|
| 335 | I | 54.1 | Low | 69.1 | Low | 111 Ų | 111 | 90.3 Ų | 90.3 | 57% | 0.569 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -104.9 | 3 | -171.7 | -53.6 | 175.3 | 0 | 0 | 0 | 113 | H332 Q333 D337 | H332-I335 PolarHBondContact O-N 2.94Å; Q333-I335 VanDerWaalsContact C-N 3.26Å; Q333-I335 PolarHBondContact O-N 3.31Å; I335-D337 VanDerWaalsContact C-N 3.28Å; I335-D337 PolarHBondContact O-N 3.07Å |
| 336 | L | 53.6 | Low | 67.9 | Low | 63 Ų | 63 | 90.2 Ų | 90.2 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | trans | -78.8 | 74.8 | 177.9 | -73.8 | 165.4 | 0 | 0 | 0 | 111.2 | M313 I331 V338 | M313-L336 HydrophobicContact SD-CD2 4.44Å; I331-L336 HydrophobicContact CD1-CD1 4.05Å; I331-L336 HydrophobicContact CD1-CD2 4.09Å; I331-L336 HydrophobicContact CD1-CG 4.22Å; L336-V338 PolarHBondContact O-N 3.17Å | ||
| 337 | D | 56.2 | Low | 66.6 | Low | 129 Ų | 129 | 92.7 Ų | 92.7 | 69% | 0.69 | 48% | 0.477 | S | S | * | . | trans | -72.4 | 124.3 | 159.6 | -160.3 | -4.8 | 0 | 0 | 0 | 108.1 | I335 K339 K340 | I335-D337 VanDerWaalsContact C-N 3.28Å; I335-D337 PolarHBondContact O-N 3.07Å; D337-K339 PolarHBondContact O-N 2.86Å; D337-K340 PolarHBondContact O-N 2.81Å | ||
| 338 | V | 59.1 | Low | 65.6 | Low | 118 Ų | 118 | 91.8 Ų | 91.8 | 72% | 0.715 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.8 | -152.5 | -174.8 | 0 | 0 | 0 | 0 | 114.3 | L336 M351 | L336-V338 PolarHBondContact O-N 3.17Å; V338-M351 VanDerWaalsContact O-CE 3.25Å; V338-M351 WeakPolarHBondContact O-CE 3.24Å |
| 339 | K | 61.2 | Low | 64.8 | Low | 157 Ų | 157 | 89.7 Ų | 89.7 | 68% | 0.683 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -19.3 | -174.4 | -66 | -173.2 | 175.9 | -175.7 | 0 | 115.6 | D337 | D337-K339 PolarHBondContact O-N 2.86Š|
| 340 | K | 61.6 | Low | 64 | Low | 145 Ų | 145 | 92.3 Ų | 92.3 | 63% | 0.63 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 130.3 | -173.6 | -67.4 | -175 | -178 | 178.7 | 0 | 111 | D337 | D337-K340 PolarHBondContact O-N 2.81Å |
| 341 | F | 66.7 | Low | 63.1 | Low | 13 Ų | 13 | 89.4 Ų | 89.4 | 6% | 0.057 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 134.3 | 170.2 | 175 | -107.5 | 0 | 0 | 0 | 109.4 | M313 T315 I331 T343 C349 | M313-F341 HydrophobicContact CB-CD1 4.25Å; M313-F341 HydrophobicContact CB-CE1 3.89Å; M313-F341 HydrophobicContact CB-CE2 4.47Å; M313-F341 HydrophobicContact CB-CZ 4.01Å; M313-F341 HydrophobicContact CE-CB 4Å; M313-F341 HydrophobicContact CE-CD1 4.23Å; M313-F341 HydrophobicContact CE-CG 4.02Å; M313-F341 HydrophobicContact CG-CD1 4.19Å; M313-F341 HydrophobicContact CG-CD2 3.94Å; M313-F341 HydrophobicContact CG-CE1 4.07Å; M313-F341 HydrophobicContact CG-CE2 3.85Å; M313-F341 HydrophobicContact CG-CG 4.12Å; M313-F341 HydrophobicContact CG-CZ 3.9Å; T315-F341 HydrophobicContact CG2-CD1 4.45Å; T315-F341 HydrophobicContact CG2-CE1 4.38Å; I331-F341 HydrophobicContact CG2-CD2 4.32Å; I331-F341 HydrophobicContact CG2-CE2 3.39Å; I331-F341 HydrophobicContact CG2-CZ 3.72Å; F341-T343 HydrophobicContact CD1-CG2 4.29Å; F341-T343 HydrophobicContact CE1-CG2 3.97Å; F341-C349 PolarHBondContact N-O 3.48Å; F341-C349 VanDerWaalsContact N-O 3.16Å; F341-C349 PolarHBondContact O-N 3Å |
| 342 | T | 65.3 | Low | 62.5 | Low | 74 Ų | 74 | 91.5 Ų | 91.5 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.5 | 171.7 | -54.5 | 0 | 0 | 0 | 0 | 108.4 | Q347 | T342-Q347 WeakPolarHBondContact CA-O 3.05Å |
| 343 | T | 63.2 | Low | 62.1 | Low | 12 Ų | 12 | 91.5 Ų | 91.5 | 7% | 0.074 | 50% | 0.496 | C | S | . | . | trans | -65.6 | 166.9 | 176.2 | 67.7 | 0 | 0 | 0 | 0 | 111.2 | T315 L317 F341 D345 G346 Q347 | T315-T343 HydrophobicContact CG2-CG2 4.19Å; L317-T343 HydrophobicContact CD1-CG2 4.19Å; F341-T343 HydrophobicContact CD1-CG2 4.29Å; F341-T343 HydrophobicContact CE1-CG2 3.97Å; T343-D345 PolarHBondContact O-N 2.67Å; T343-D345 VanDerWaalsContact O-N 3.07Å; T343-D345 PolarHBondContact OG1-N 2.86Å; T343-G346 PolarHBondContact O-N 3.45Å; T343-Q347 HydrophobicContact CG2-CB 4.34Å; T343-Q347 PolarHBondContact N-O 3.24Å; T343-Q347 WeakPolarHBondContact OG1-CB 3.27Å; T343-Q347 PolarHBondContact OG1-N 2.83Å | ||
| 344 | I | 60.9 | Low | 61.5 | Low | 146 Ų | 146 | 95.7 Ų | 95.7 | 75% | 0.749 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -28.3 | 174.1 | -64.1 | 171.1 | 0 | 0 | 0 | 111.8 | T329 G346 | T329-I344 HydrophobicContact CG2-CD1 3.57Å; T329-I344 HydrophobicContact CG2-CG1 3.97Å; I344-G346 VanDerWaalsContact C-N 3.28Å; I344-G346 PolarHBondContact O-N 2.95Å |
| 345 | D | 59.9 | Low | 61.8 | Low | 92 Ų | 92 | 90.9 Ų | 90.9 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 8.7 | 178.5 | -58 | -20.4 | 0 | 0 | 0 | 113.1 | R327 T343 Q347 | R327-D345 IonicContact CZ-OD2 2.78Å; R327-D345 IonicContact NH1-OD2 3.75Å; R327-D345 PolarHBondContact NH1-OD2 3.35Å; R327-D345 IonicContact NH2-OD2 2.63Å; R327-D345 PolarHBondContact NH2-OD2 2.96Å; T343-D345 PolarHBondContact O-N 2.67Å; T343-D345 VanDerWaalsContact O-N 3.07Å; T343-D345 PolarHBondContact OG1-N 2.86Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 2.74Å |
| 346 | G | 65.5 | Low | 62.2 | Low | 54 Ų | 54 | 89.8 Ų | 89.8 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | trans | 79 | 8.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | T343 I344 A348 | T343-G346 PolarHBondContact O-N 3.45Å; I344-G346 VanDerWaalsContact C-N 3.28Å; I344-G346 PolarHBondContact O-N 2.95Å; G346-A348 PolarHBondContact O-N 3.11Å | ||
| 347 | Q | 66 | Low | 62.7 | Low | 59 Ų | 59 | 91.3 Ų | 91.3 | 28% | 0.276 | 50% | 0.497 | S | S | . | . | trans | -78.5 | 114.8 | 178.1 | -66 | -172 | -22.2 | 0 | 0 | 110.6 | T342 T343 D345 C349 | T342-Q347 WeakPolarHBondContact CA-O 3.05Å; T343-Q347 HydrophobicContact CG2-CB 4.34Å; T343-Q347 PolarHBondContact N-O 3.24Å; T343-Q347 WeakPolarHBondContact OG1-CB 3.27Å; T343-Q347 PolarHBondContact OG1-N 2.83Å; D345-Q347 VanDerWaalsContact C-N 3.33Å; D345-Q347 PolarHBondContact O-N 2.74Å; Q347-C349 PolarHBondContact O-N 2.81Å | ||
| 348 | A | 70.1 | Confident | 63.1 | Low | 70 Ų | 70 | 89.1 Ų | 89.1 | 58% | 0.579 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 125.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G346 | G346-A348 PolarHBondContact O-N 3.11Å |
| 349 | C | 70.7 | Confident | 63.3 | Low | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.007 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 129.1 | 180 | 176.2 | 0 | 0 | 0 | 0 | 111 | C305 L317 F341 Q347 M351 | C305-C349 HydrophobicContact CB-CB 3.99Å; C305-C349 WeakPolarHBondContact CB-SG 3.48Å; C305-C349 PolarHBondContact N-SG 3.18Å; C305-C349 VanDerWaalsContact SG-C 3.54Å; C305-C349 WeakPolarHBondContact SG-CB 3.31Å; C305-C349 CovalentContact SG-SG 2.02Å; C305-C349 PolarHBondContact SG-SG 2.83Å; L317-C349 HydrophobicContact CD1-CB 3.96Å; L317-C349 HydrophobicContact CD2-CB 4.39Å; F341-C349 PolarHBondContact N-O 3.48Å; F341-C349 VanDerWaalsContact N-O 3.16Å; F341-C349 PolarHBondContact O-N 3Å; Q347-C349 PolarHBondContact O-N 2.81Å; C349-M351 PolarHBondContact O-N 3.21Å |
| 350 | P | 70.4 | Confident | 63.4 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 47% | 0.474 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 124.4 | 173.6 | 29.1 | -31.6 | 0 | 0 | 0 | 109.5 | C305 | C305-P350 PolarHBondContact SG-O 2.9Å |
| 351 | M | 66 | Low | 63.6 | Low | 39 Ų | 39 | 78.1 Ų | 78.1 | 19% | 0.192 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 137.9 | 167.8 | -63.5 | -156.2 | -68.7 | 0 | 0 | 108.4 | M313 V338 C349 D353 | M313-M351 HydrophobicContact CE-CG 4.4Å; M313-M351 HydrophobicContact CE-SD 3.87Å; V338-M351 VanDerWaalsContact O-CE 3.25Å; V338-M351 WeakPolarHBondContact O-CE 3.24Å; C349-M351 PolarHBondContact O-N 3.21Å; M351-D353 PolarHBondContact O-N 2.69Å |
| 352 | S | 61.9 | Low | 63.3 | Low | 63 Ų | 63 | 83.2 Ų | 83.2 | 44% | 0.441 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 126 | 174.5 | -169.2 | 0 | 0 | 0 | 0 | 109 | K354 | S352-K354 PolarHBondContact O-N 2.68Š|
| 353 | D | 59 | Low | 63.2 | Low | 151 Ų | 151 | 83.9 Ų | 83.9 | 81% | 0.807 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 124.8 | 166.6 | -74.5 | -30.7 | 0 | 0 | 0 | 107.3 | M351 | M351-D353 PolarHBondContact O-N 2.69Š|
| 354 | K | 44.6 | Very low | 63.2 | Low | 247 Ų | 247 | 90.5 Ų | 90.5 | 100% | 1.074 | 51% | 0.513 | S | S | * | . | trans | -87.6 | 0 | 169 | -91.9 | -170.2 | 179.9 | 178.4 | 0 | 110.5 | S352 | S352-K354 PolarHBondContact O-N 2.68Š|
Retrieved 354 of 354 residues in 483.8 ms
(Link to these results)