| 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 | 41.6 | Very low | 43.1 | Very low | 237 Ų | 237 | 161.8 Ų | 161.8 | 100% | 1.167 | 78% | 0.779 | S | S | * | * | 0 | 112.9 | 0 | -80.5 | 161.7 | 74.7 | 0 | 0 | 108.3 | |||||
| 2 | R | 40.5 | Very low | 43.5 | Very low | 221 Ų | 221 | 155.6 Ų | 155.6 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -87 | 114.1 | 174 | -84.6 | -178.6 | 173.5 | 175.7 | -2.4 | 108.1 | Y4 | R2-Y4 HydrophobicContact CB-CE2 4.32Å; R2-Y4 PolarHBondContact O-N 3.45Å | ||
| 3 | L | 38.3 | Very low | 43.8 | Very low | 138 Ų | 138 | 158.8 Ų | 158.8 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | trans | -82.9 | 106.7 | -178 | -152.1 | 75.4 | 0 | 0 | 0 | 108.3 | F5 | L3-F5 HydrophobicContact CD2-CE2 3.99Å; L3-F5 HydrophobicContact CD2-CZ 4.28Å; L3-F5 PolarHBondContact O-N 3.43Å | ||
| 4 | Y | 45 | Very low | 44.4 | Very low | 199 Ų | 199 | 159.6 Ų | 159.6 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -82 | 110 | 174.7 | -73.6 | -88.9 | 0 | 0 | 0 | 108.8 | R2 L6 | R2-Y4 HydrophobicContact CB-CE2 4.32Å; R2-Y4 PolarHBondContact O-N 3.45Å; Y4-L6 PolarHBondContact O-N 3.35Å | ||
| 5 | F | 41.9 | Very low | 44.5 | Very low | 180 Ų | 180 | 155.9 Ų | 155.9 | 79% | 0.789 | 76% | 0.764 | S | S | * | * | trans | -75.2 | 107.5 | 170.4 | -85.5 | -89 | 0 | 0 | 0 | 109.1 | L3 V7 | L3-F5 HydrophobicContact CD2-CE2 3.99Å; L3-F5 HydrophobicContact CD2-CZ 4.28Å; L3-F5 PolarHBondContact O-N 3.43Å; F5-V7 PolarHBondContact O-N 3.29Å | ||
| 6 | L | 38.4 | Very low | 44.6 | Very low | 153 Ų | 153 | 158.9 Ų | 158.9 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | trans | -86.6 | 96 | 176.7 | -145.3 | 153.5 | 0 | 0 | 0 | 107.6 | Y4 V8 | Y4-L6 PolarHBondContact O-N 3.35Å; L6-V8 HydrophobicContact CD2-CG2 3.77Å; L6-V8 PolarHBondContact O-N 3.23Å | ||
| 7 | V | 45.1 | Very low | 44.6 | Very low | 109 Ų | 109 | 156.2 Ų | 156.2 | 66% | 0.661 | 76% | 0.763 | S | S | * | * | trans | -79.6 | 100.2 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | F5 F9 | F5-V7 PolarHBondContact O-N 3.29Å; V7-F9 HydrophobicContact CG1-CD2 4.11Å; V7-F9 HydrophobicContact CG1-CE2 3.93Å; V7-F9 PolarHBondContact O-N 3.34Å | ||
| 8 | V | 44.1 | Very low | 44.9 | Very low | 94 Ų | 94 | 156.1 Ų | 156.1 | 57% | 0.57 | 76% | 0.76 | S | S | * | * | trans | -81.5 | 103.6 | 175.2 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | L6 F10 | L6-V8 HydrophobicContact CD2-CG2 3.77Å; L6-V8 PolarHBondContact O-N 3.23Å; V8-F10 HydrophobicContact CG1-CD2 3.88Å; V8-F10 HydrophobicContact CG1-CE2 3.83Å; V8-F10 PolarHBondContact O-N 2.97Å; V8-F10 VanDerWaalsContact O-N 3.11Å | ||
| 9 | F | 43.2 | Very low | 45.2 | Very low | 188 Ų | 188 | 153.8 Ų | 153.8 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -71.2 | 98.7 | 168.5 | -84.8 | -90.5 | 0 | 0 | 0 | 109.2 | V7 A11 | V7-F9 HydrophobicContact CG1-CD2 4.11Å; V7-F9 HydrophobicContact CG1-CE2 3.93Å; V7-F9 PolarHBondContact O-N 3.34Å; F9-A11 VanDerWaalsContact C-N 3.27Å; F9-A11 PolarHBondContact O-N 3.11Å | ||
| 10 | F | 46.5 | Very low | 46 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -70.3 | 90.2 | 161.4 | -88.2 | -91 | 0 | 0 | 0 | 107.9 | V8 S12 | V8-F10 HydrophobicContact CG1-CD2 3.88Å; V8-F10 HydrophobicContact CG1-CE2 3.83Å; V8-F10 PolarHBondContact O-N 2.97Å; V8-F10 VanDerWaalsContact O-N 3.11Å; F10-S12 PolarHBondContact O-N 2.88Å | ||
| 11 | A | 49.1 | Very low | 46.9 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | trans | -64.6 | 92.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | F9 F13 | F9-A11 VanDerWaalsContact C-N 3.27Å; F9-A11 PolarHBondContact O-N 3.11Å; A11-F13 VanDerWaalsContact C-N 3.33Å; A11-F13 VanDerWaalsContact O-CD2 3.3Å; A11-F13 WeakPolarHBondContact O-CD2 3.3Å; A11-F13 PolarHBondContact O-N 3.19Å | ||
| 12 | S | 48.4 | Very low | 48.9 | Very low | 87 Ų | 87 | 135.6 Ų | 135.6 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -59.8 | 99.7 | 169.6 | 44.9 | 0 | 0 | 0 | 0 | 107.5 | F10 F14 | F10-S12 PolarHBondContact O-N 2.88Å; S12-F14 PolarHBondContact O-N 3.09Å | ||
| 13 | F | 47.7 | Very low | 51.5 | Low | 197 Ų | 197 | 125.1 Ų | 125.1 | 86% | 0.864 | 64% | 0.639 | S | S | * | * | trans | -64.9 | 73 | 165.3 | -66.6 | -86.5 | 0 | 0 | 0 | 107.8 | A11 P15 | A11-F13 VanDerWaalsContact C-N 3.33Å; A11-F13 VanDerWaalsContact O-CD2 3.3Å; A11-F13 WeakPolarHBondContact O-CD2 3.3Å; A11-F13 PolarHBondContact O-N 3.19Å; F13-P15 WeakPolarHBondContact O-CD 3.36Å; F13-P15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | F | 51.8 | Low | 54.3 | Low | 171 Ų | 171 | 118.7 Ų | 118.7 | 75% | 0.75 | 61% | 0.606 | S | S | * | * | trans | -62.2 | 115.5 | 157.8 | -82.1 | -82.6 | 0 | 0 | 0 | 104.8 | S12 Y16 | S12-F14 PolarHBondContact O-N 3.09Å; F14-Y16 PolarHBondContact O-N 3.04Å | ||
| 15 | P | 46 | Very low | 56.8 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 67% | 0.669 | 57% | 0.569 | S | S | * | * | trans | -53.8 | 118.1 | 169.9 | 22.8 | -30 | 0 | 0 | 0 | 104.9 | F13 T17 | F13-P15 WeakPolarHBondContact O-CD 3.36Å; F13-P15 VanDerWaalsContact O-N 3.15Å; P15-T17 PolarHBondContact O-N 2.86Å | ||
| 16 | Y | 46.5 | Very low | 59.3 | Low | 204 Ų | 204 | 103.7 Ų | 103.7 | 80% | 0.8 | 54% | 0.542 | S | S | * | . | trans | -60.6 | 90 | 168 | -174.9 | -94.4 | 0 | 0 | 0 | 104.2 | F14 Q18 | F14-Y16 PolarHBondContact O-N 3.04Å; Y16-Q18 HydrophobicContact CD1-CB 4.22Å; Y16-Q18 HydrophobicContact CE1-CB 4.29Å; Y16-Q18 HydrophobicContact CE1-CG 4.42Å; Y16-Q18 PolarHBondContact O-N 3.27Å | ||
| 17 | T | 44.7 | Very low | 61.8 | Low | 114 Ų | 114 | 97.1 Ų | 97.1 | 70% | 0.699 | 51% | 0.509 | S | S | * | . | trans | -62.8 | 94.3 | 166.5 | 36.8 | 0 | 0 | 0 | 0 | 102.8 | P15 T19 | P15-T17 PolarHBondContact O-N 2.86Å; T17-T19 PolarHBondContact O-N 3.08Å | ||
| 18 | Q | 48.5 | Very low | 63.8 | Low | 154 Ų | 154 | 94.4 Ų | 94.4 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | trans | -52.3 | 101.5 | 169.5 | -170.6 | 171.1 | 35.2 | 0 | 0 | 103.6 | Y16 A20 | Y16-Q18 HydrophobicContact CD1-CB 4.22Å; Y16-Q18 HydrophobicContact CE1-CB 4.29Å; Y16-Q18 HydrophobicContact CE1-CG 4.42Å; Y16-Q18 PolarHBondContact O-N 3.27Å; Q18-A20 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 51.4 | Low | 65.7 | Low | 112 Ų | 112 | 96.9 Ų | 96.9 | 69% | 0.687 | 49% | 0.489 | S | S | * | . | trans | -57.7 | 110.4 | 179.8 | 46.2 | 0 | 0 | 0 | 0 | 104.1 | T17 V21 | T17-T19 PolarHBondContact O-N 3.08Å; T19-V21 PolarHBondContact O-N 3.46Å | ||
| 20 | A | 61.7 | Low | 67.6 | Low | 65 Ų | 65 | 90.8 Ų | 90.8 | 54% | 0.537 | 47% | 0.468 | S | S | . | . | trans | -52.8 | 119.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q18 E22 | Q18-A20 PolarHBondContact O-N 2.98Å; A20-E22 PolarHBondContact O-N 2.86Å | ||
| 21 | V | 64.3 | Low | 69.5 | Low | 39 Ų | 39 | 87.9 Ų | 87.9 | 24% | 0.236 | 46% | 0.457 | C | S | . | . | trans | -58.2 | 119.9 | -179.8 | 169.9 | 0 | 0 | 0 | 0 | 106.6 | T19 E96 Y128 | T19-V21 PolarHBondContact O-N 3.46Å; V21-E96 WeakPolarHBondContact CG2-OE1 3.27Å; V21-Y128 HydrophobicContact CB-CD1 3.67Å; V21-Y128 HydrophobicContact CB-CE1 3.82Å; V21-Y128 HydrophobicContact CG1-CD1 4.21Å; V21-Y128 HydrophobicContact CG2-CE1 4.43Å; V21-Y128 WeakPolarHBondContact O-CD1 3.44Å | ||
| 22 | E | 84.2 | Confident | 71.4 | Confident | 59 Ų | 59 | 86.8 Ų | 86.8 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | trans | -110.2 | 125.2 | -174.6 | -179.5 | 159.8 | -139.8 | 0 | 0 | 108.9 | A20 S24 K131 S132 | A20-E22 PolarHBondContact O-N 2.86Å; E22-S24 PolarHBondContact O-N 3.34Å; E22-K131 VanDerWaalsContact OE1-CA 3.29Å; E22-K131 WeakPolarHBondContact OE1-CA 3.46Å; E22-K131 VanDerWaalsContact OE1-CB 3.25Å; E22-K131 WeakPolarHBondContact OE1-CB 3.23Å; E22-K131 PolarHBondContact OE1-N 3.31Å; E22-S132 WeakPolarHBondContact CG-OG 3.33Å; E22-S132 PolarHBondContact OE1-N 3.19Å; E22-S132 PolarHBondContact OE1-OG 3.04Å | ||
| 23 | Y | 95.6 | Very high | 73.5 | Confident | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | trans | -85.3 | 100.5 | 179.3 | -74.7 | -53.2 | 0 | 0 | 0 | 110.2 | L88 Y89 S100 L126 A127 Y128 S132 A133 L134 | Y23-L88 HydrophobicContact CD1-CB 3.54Å; Y23-L88 HydrophobicContact CD1-CD1 4.04Å; Y23-L88 HydrophobicContact CD1-CG 4.37Å; Y23-L88 HydrophobicContact CE1-CB 3.56Å; Y23-Y89 WeakPolarHBondContact OH-CD2 3.4Å; Y23-S100 WeakPolarHBondContact OH-CB 3.34Å; Y23-S100 PolarHBondContact OH-OG 2.8Å; Y23-L126 HydrophobicContact CD1-CB 4.23Å; Y23-L126 HydrophobicContact CD2-CB 3.86Å; Y23-L126 HydrophobicContact CE1-CB 4.5Å; Y23-L126 HydrophobicContact CE2-CB 4.07Å; Y23-L126 HydrophobicContact CG-CB 3.95Å; Y23-A127 VanDerWaalsContact CD2-CA 3.46Å; Y23-Y128 VanDerWaalsContact CD2-N 3.35Å; Y23-Y128 HydrophobicContact CE2-CG 4.4Å; Y23-S132 PolarHBondContact O-OG 3.26Å; Y23-A133 CarbonylContact O-C 3.57Å; Y23-A133 WeakPolarHBondContact O-CA 3.45Å; Y23-L134 HydrophobicContact CD1-CD1 4.14Å; Y23-L134 HydrophobicContact CG-CD1 4.37Å; Y23-L134 PolarHBondContact O-N 3Å | ||
| 24 | S | 96.1 | Very high | 75.7 | Confident | 4 Ų | 4 | 78.4 Ų | 78.4 | 3% | 0.028 | 40% | 0.397 | C | S | . | . | trans | -131.9 | 159.8 | 173.6 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | E22 L88 S132 S165 | E22-S24 PolarHBondContact O-N 3.34Å; S24-L88 WeakPolarHBondContact O-CD1 3.46Å; S24-S132 WeakPolarHBondContact OG-CB 3.23Å; S24-S132 PolarHBondContact OG-OG 3.34Å; S24-S165 WeakPolarHBondContact CA-OG 3.28Å; S24-S165 WeakPolarHBondContact CB-OG 3.06Å | ||
| 25 | C | 97.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 141 | 170 | -59.5 | 0 | 0 | 0 | 0 | 109.3 | L34 F37 L134 C163 L164 S165 | C25-L34 HydrophobicContact CB-CB 4.08Å; C25-L34 PolarHBondContact O-N 2.71Å; C25-F37 HydrophobicContact CB-CD1 3.8Å; C25-F37 HydrophobicContact CB-CE1 3.85Å; C25-L134 HydrophobicContact CB-CD2 4.39Å; C25-L134 VanDerWaalsContact N-CD2 3.25Å; C25-C163 VanDerWaalsContact CA-SG 3.56Å; C25-C163 HydrophobicContact CB-CB 4.08Å; C25-C163 WeakPolarHBondContact CB-SG 3.26Å; C25-C163 WeakPolarHBondContact SG-CB 3.2Å; C25-C163 PolarHBondContact SG-O 3.24Å; C25-C163 CovalentContact SG-SG 2.04Å; C25-C163 PolarHBondContact SG-SG 3.48Å; C25-L164 PolarHBondContact SG-N 2.87Å; C25-S165 PolarHBondContact N-OG 3.21Å; C25-S165 PolarHBondContact SG-N 3.07Å |
| 26 | R | 94.6 | Very high | 80.1 | Confident | 63 Ų | 63 | 67.8 Ų | 67.8 | 24% | 0.238 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 146.2 | 179.3 | -71 | 178.2 | 170.8 | -154.2 | -1.5 | 110.1 | P30 D32 M81 T85 L88 | R26-P30 WeakPolarHBondContact CD-O 3.49Å; R26-P30 VanDerWaalsContact CZ-O 3.27Å; R26-P30 PolarHBondContact NE-O 3.3Å; R26-P30 PolarHBondContact NH1-O 3.41Å; R26-P30 VanDerWaalsContact NH1-O 3.12Å; R26-D32 WeakPolarHBondContact CA-O 3.01Å; R26-M81 WeakPolarHBondContact O-CB 3.31Å; R26-T85 PolarHBondContact N-OG1 3.33Å; R26-T85 PolarHBondContact O-OG1 2.8Å; R26-L88 HydrophobicContact CG-CD1 4.46Å |
| 27 | S | 91.5 | Very high | 82.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 11% | 0.105 | 30% | 0.301 | C | S | . | . | trans | -73.9 | -174.2 | 173.1 | 91.2 | 0 | 0 | 0 | 0 | 111.1 | R29 D32 T84 | S27-R29 PolarHBondContact O-N 3.44Å; S27-R29 PolarHBondContact OG-N 2.66Å; S27-R29 PolarHBondContact OG-O 3.48Å; S27-R29 VanDerWaalsContact OG-O 3.1Å; S27-D32 PolarHBondContact N-O 3.27Å; S27-D32 WeakPolarHBondContact OG-CB 3.19Å; S27-D32 PolarHBondContact OG-OD2 2.91Å; S27-T84 PolarHBondContact O-OG1 3.01Å | ||
| 28 | E | 85.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 53.7 Ų | 53.7 | 25% | 0.248 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -57 | -28.7 | 168.7 | -58.6 | -175.5 | 149.3 | 0 | 0 | 112 | P30 S71 D79 | E28-P30 WeakPolarHBondContact O-CD 3.17Å; E28-S71 VanDerWaalsContact OE1-CB 3.3Å; E28-S71 WeakPolarHBondContact OE1-CB 3.33Å; E28-S71 PolarHBondContact OE1-OG 3.22Å; E28-D79 WeakPolarHBondContact CB-O 2.96Å |
| 29 | R | 84.5 | Confident | 86.7 | Confident | 146 Ų | 146 | 46.4 Ų | 46.4 | 55% | 0.551 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -89.8 | 113.1 | 167.4 | -68.9 | -169.7 | -60.5 | 171.8 | 5 | 109.9 | S27 E31 D32 | S27-R29 PolarHBondContact O-N 3.44Å; S27-R29 PolarHBondContact OG-N 2.66Å; S27-R29 PolarHBondContact OG-O 3.48Å; S27-R29 VanDerWaalsContact OG-O 3.1Å; R29-E31 PolarHBondContact O-N 2.76Å; R29-E31 VanDerWaalsContact O-N 3.13Å; R29-D32 HydrophobicContact CB-CB 4.4Å; R29-D32 WeakPolarHBondContact CB-OD2 3.42Å; R29-D32 IonicContact CZ-OD1 3.9Å; R29-D32 IonicContact CZ-OD2 3.03Å; R29-D32 IonicContact NE-OD2 2.76Å; R29-D32 PolarHBondContact NE-OD2 2.88Å; R29-D32 IonicContact NH2-OD1 3.48Å; R29-D32 PolarHBondContact NH2-OD1 2.54Å; R29-D32 IonicContact NH2-OD2 2.66Å; R29-D32 PolarHBondContact NH2-OD2 3.45Å; R29-D32 WeakPolarHBondContact O-CB 3.4Å; R29-D32 PolarHBondContact O-N 2.78Å |
| 30 | P | 83.3 | Confident | 88.6 | Confident | 60 Ų | 60 | 41.1 Ų | 41.1 | 39% | 0.39 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -22.6 | -171.8 | -23.3 | 32.4 | 0 | 0 | 0 | 115.8 | R26 E28 D32 T84 | R26-P30 WeakPolarHBondContact CD-O 3.49Å; R26-P30 VanDerWaalsContact CZ-O 3.27Å; R26-P30 PolarHBondContact NE-O 3.3Å; R26-P30 PolarHBondContact NH1-O 3.41Å; R26-P30 VanDerWaalsContact NH1-O 3.12Å; E28-P30 WeakPolarHBondContact O-CD 3.17Å; P30-D32 VanDerWaalsContact C-N 3.35Å; P30-T84 HydrophobicContact CG-CG2 3.87Å |
| 31 | E | 85.6 | Confident | 90 | Very high | 127 Ų | 127 | 38 Ų | 38 | 59% | 0.593 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -21.8 | 176.2 | 67.2 | -81.4 | -168.6 | 0 | 0 | 113.3 | R29 I33 | R29-E31 PolarHBondContact O-N 2.76Å; R29-E31 VanDerWaalsContact O-N 3.13Å; E31-I33 PolarHBondContact O-N 3.38Å |
| 32 | D | 89.4 | Confident | 91.2 | Very high | 50 Ų | 50 | 36.1 Ų | 36.1 | 27% | 0.267 | 17% | 0.17 | S | C | . | . | trans | -83.6 | 105 | 178.2 | -67.5 | -20.8 | 0 | 0 | 0 | 109.5 | R26 S27 R29 P30 | R26-D32 WeakPolarHBondContact CA-O 3.01Å; S27-D32 PolarHBondContact N-O 3.27Å; S27-D32 WeakPolarHBondContact OG-CB 3.19Å; S27-D32 PolarHBondContact OG-OD2 2.91Å; R29-D32 HydrophobicContact CB-CB 4.4Å; R29-D32 WeakPolarHBondContact CB-OD2 3.42Å; R29-D32 IonicContact CZ-OD1 3.9Å; R29-D32 IonicContact CZ-OD2 3.03Å; R29-D32 IonicContact NE-OD2 2.76Å; R29-D32 PolarHBondContact NE-OD2 2.88Å; R29-D32 IonicContact NH2-OD1 3.48Å; R29-D32 PolarHBondContact NH2-OD1 2.54Å; R29-D32 IonicContact NH2-OD2 2.66Å; R29-D32 PolarHBondContact NH2-OD2 3.45Å; R29-D32 WeakPolarHBondContact O-CB 3.4Å; R29-D32 PolarHBondContact O-N 2.78Å; P30-D32 VanDerWaalsContact C-N 3.35Å | ||
| 33 | I | 92.9 | Very high | 91.3 | Very high | 101 Ų | 101 | 33.4 Ų | 33.4 | 52% | 0.518 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.9 | 174.6 | -59.9 | 174.6 | 0 | 0 | 0 | 109.2 | E31 | E31-I33 PolarHBondContact O-N 3.38Å |
| 34 | L | 94.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 145.7 | 179.2 | -60.6 | 174.3 | 0 | 0 | 0 | 110.4 | C25 F37 D60 S165 | C25-L34 HydrophobicContact CB-CB 4.08Å; C25-L34 PolarHBondContact O-N 2.71Å; L34-F37 HydrophobicContact CD1-CB 4.31Å; L34-F37 HydrophobicContact CD1-CD1 4.01Å; L34-D60 HydrophobicContact CD1-CB 3.87Å; L34-D60 HydrophobicContact CD2-CB 4.28Å; L34-S165 PolarHBondContact O-OG 3.14Å |
| 35 | D | 95 | Very high | 90.3 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -68.9 | -41.5 | 170.7 | -170.8 | 43.4 | 0 | 0 | 0 | 110.5 | S61 S165 T222 I223 D224 T226 | D35-S61 WeakPolarHBondContact CB-OG 3.48Å; D35-S61 PolarHBondContact N-OG 3.05Å; D35-S165 VanDerWaalsContact O-CB 3.28Å; D35-S165 WeakPolarHBondContact O-CB 3.44Å; D35-S165 PolarHBondContact O-N 3.22Å; D35-T222 VanDerWaalsContact CG-CB 3.48Å; D35-T222 WeakPolarHBondContact OD1-CB 3.41Å; D35-T222 PolarHBondContact OD1-OG1 2.8Å; D35-T222 WeakPolarHBondContact OD2-CB 3.09Å; D35-T222 PolarHBondContact OD2-OG1 3.42Å; D35-I223 WeakPolarHBondContact OD1-CG2 3.26Å; D35-I223 PolarHBondContact OD1-N 3.28Å; D35-D224 HydrophobicContact CB-CB 3.99Å; D35-D224 PolarHBondContact OD1-N 2.83Å; D35-T226 PolarHBondContact OD2-OG1 2.93Å |
| 36 | W | 95.1 | Very high | 89.6 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 162.5 | 173.8 | 53.6 | -94.6 | 0 | 0 | 0 | 111.2 | I38 I59 S61 C163 L164 T226 | W36-I38 HydrophobicContact CE3-CG1 4.43Å; W36-I38 HydrophobicContact CZ3-CD1 4.43Å; W36-I38 HydrophobicContact CZ3-CG1 4.49Å; W36-I59 HydrophobicContact CH2-CG2 4.07Å; W36-I59 HydrophobicContact CZ3-CG2 3.97Å; W36-S61 PolarHBondContact N-OG 3.16Å; W36-S61 PolarHBondContact O-N 2.54Å; W36-S61 PolarHBondContact O-OG 3.5Å; W36-C163 CarbonylContact C-O 3.56Å; W36-C163 WeakPolarHBondContact CA-O 3.16Å; W36-C163 WeakPolarHBondContact CB-O 3.45Å; W36-L164 HydrophobicContact CB-CD2 3.87Å; W36-T226 PolarHBondContact NE1-OG1 2.94Å; W36-T226 VanDerWaalsContact NE1-OG1 3.07Å |
| 37 | F | 94 | Very high | 89 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155.5 | 162.2 | 65.7 | -105.1 | 0 | 0 | 0 | 111 | C25 L34 L39 I59 D60 M81 C163 | C25-F37 HydrophobicContact CB-CD1 3.8Å; C25-F37 HydrophobicContact CB-CE1 3.85Å; L34-F37 HydrophobicContact CD1-CB 4.31Å; L34-F37 HydrophobicContact CD1-CD1 4.01Å; F37-L39 HydrophobicContact CD2-CB 4.17Å; F37-L39 HydrophobicContact CE2-CB 4.16Å; F37-I59 CarbonylContact C-O 3.56Å; F37-I59 VanDerWaalsContact CA-O 3.27Å; F37-I59 WeakPolarHBondContact CA-O 3.47Å; F37-I59 WeakPolarHBondContact CB-O 3.25Å; F37-D60 HydrophobicContact CB-CB 3.95Å; F37-M81 HydrophobicContact CB-SD 4.21Å; F37-M81 HydrophobicContact CD1-SD 4.27Å; F37-M81 HydrophobicContact CD2-CG 4.32Å; F37-M81 HydrophobicContact CD2-SD 3.43Å; F37-M81 WeakPolarHBondContact CD2-SD 3.18Å; F37-M81 HydrophobicContact CE1-CB 4.18Å; F37-M81 HydrophobicContact CE2-CG 4.05Å; F37-M81 HydrophobicContact CE2-SD 3.75Å; F37-M81 HydrophobicContact CG-SD 3.72Å; F37-M81 HydrophobicContact CZ-CB 4.21Å; F37-M81 HydrophobicContact CZ-CG 4.15Å; F37-M81 HydrophobicContact CZ-SD 4.29Å; F37-C163 HydrophobicContact CD1-CB 3.66Å; F37-C163 HydrophobicContact CD2-CB 3.9Å; F37-C163 HydrophobicContact CE1-CB 3.31Å; F37-C163 VanDerWaalsContact CE1-SG 3.57Å; F37-C163 HydrophobicContact CE2-CB 3.57Å; F37-C163 HydrophobicContact CG-CB 3.94Å; F37-C163 HydrophobicContact CZ-CB 3.26Å; F37-C163 PolarHBondContact N-O 3.02Å; F37-C163 PolarHBondContact O-N 3.25Å |
| 38 | I | 91.4 | Very high | 88.2 | Confident | 21 Ų | 21 | 54.3 Ų | 54.3 | 11% | 0.108 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 121.9 | 169.1 | -57.8 | 165.9 | 0 | 0 | 0 | 106.7 | W36 F58 I59 W68 M160 V162 W368 | W36-I38 HydrophobicContact CE3-CG1 4.43Å; W36-I38 HydrophobicContact CZ3-CD1 4.43Å; W36-I38 HydrophobicContact CZ3-CG1 4.49Å; I38-F58 CarbonylContact O-C 3.59Å; I38-F58 WeakPolarHBondContact O-CA 3.11Å; I38-F58 WeakPolarHBondContact O-CB 3.47Å; I38-I59 PolarHBondContact N-O 2.77Å; I38-I59 PolarHBondContact O-N 3.32Å; I38-W68 HydrophobicContact CG2-CH2 3.7Å; I38-W68 HydrophobicContact CG2-CZ3 4.17Å; I38-M160 HydrophobicContact CG2-CG 4.48Å; I38-M160 HydrophobicContact CG2-SD 4.43Å; I38-V162 HydrophobicContact CG1-CG1 4.32Å; I38-V162 HydrophobicContact CG1-CG2 4.33Å; I38-V162 HydrophobicContact CG2-CG2 4.39Å; I38-W368 HydrophobicContact CD1-CD2 4.3Å; I38-W368 HydrophobicContact CD1-CE3 3.69Å; I38-W368 HydrophobicContact CD1-CH2 3.86Å; I38-W368 HydrophobicContact CD1-CZ2 4.46Å; I38-W368 HydrophobicContact CD1-CZ3 3.44Å; I38-W368 VanDerWaalsContact CD1-CZ3 3.44Å; I38-W368 HydrophobicContact CG1-CH2 4.18Å; I38-W368 HydrophobicContact CG1-CZ3 3.95Å; I38-W368 HydrophobicContact CG2-CH2 3.56Å; I38-W368 HydrophobicContact CG2-CZ2 4.08Å; I38-W368 HydrophobicContact CG2-CZ3 4.21Å |
| 39 | L | 92.5 | Very high | 87.7 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.6 | 176.7 | -179.2 | 149.8 | 0 | 0 | 0 | 109.5 | F37 F56 I75 M81 L82 M160 A161 | F37-L39 HydrophobicContact CD2-CB 4.17Å; F37-L39 HydrophobicContact CE2-CB 4.16Å; L39-F56 HydrophobicContact CD1-CD2 3.46Å; L39-F56 VanDerWaalsContact CD1-CD2 3.46Å; L39-F56 HydrophobicContact CD1-CE2 3.35Å; L39-F56 HydrophobicContact CD1-CG 4.15Å; L39-F56 HydrophobicContact CD1-CZ 3.98Å; L39-F56 HydrophobicContact CD2-CB 4.34Å; L39-F56 HydrophobicContact CD2-CD2 4.16Å; L39-F56 HydrophobicContact CD2-CG 4.35Å; L39-F56 HydrophobicContact CG-CD2 3.49Å; L39-F56 VanDerWaalsContact CG-CD2 3.49Å; L39-F56 HydrophobicContact CG-CE2 3.89Å; L39-F56 HydrophobicContact CG-CG 4.17Å; L39-I75 HydrophobicContact CD1-CD1 3.54Å; L39-I75 HydrophobicContact CD2-CD1 3.74Å; L39-I75 HydrophobicContact CG-CD1 4.27Å; L39-M81 HydrophobicContact CB-SD 4.18Å; L39-M81 HydrophobicContact CD1-CG 3.65Å; L39-M81 HydrophobicContact CD1-SD 3.84Å; L39-M81 HydrophobicContact CG-SD 4.5Å; L39-L82 HydrophobicContact CD1-CB 4.42Å; L39-M160 VanDerWaalsContact O-CA 3.29Å; L39-M160 WeakPolarHBondContact O-CA 3.18Å; L39-M160 WeakPolarHBondContact O-CG 3.48Å; L39-A161 PolarHBondContact N-O 3.26Å; L39-A161 PolarHBondContact O-N 3.23Å |
| 40 | Y | 90.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 108.4 | 175.3 | -167.6 | -103.5 | 0 | 0 | 0 | 111.7 | L42 F56 V57 W68 A158 Q159 M160 I286 V349 G355 W358 | Y40-L42 HydrophobicContact CD1-CD2 4.04Å; Y40-L42 HydrophobicContact CE1-CD2 4.07Å; Y40-F56 CarbonylContact O-C 3.59Å; Y40-F56 VanDerWaalsContact O-CA 3.25Å; Y40-F56 WeakPolarHBondContact O-CA 3.48Å; Y40-F56 WeakPolarHBondContact O-CB 3.14Å; Y40-V57 HydrophobicContact CD1-CG2 4.34Å; Y40-V57 PolarHBondContact N-O 2.89Å; Y40-V57 PolarHBondContact O-N 2.84Å; Y40-W68 VanDerWaalsContact CB-CZ3 3.49Å; Y40-A158 HydrophobicContact CE1-CB 4.1Å; Y40-A158 HydrophobicContact CE2-CB 4.32Å; Y40-A158 WeakPolarHBondContact OH-CB 3.49Å; Y40-Q159 CarbonylContact C-O 3.51Å; Y40-Q159 WeakPolarHBondContact CA-O 3.47Å; Y40-M160 HydrophobicContact CD2-CB 4.13Å; Y40-M160 HydrophobicContact CD2-CE 3.33Å; Y40-M160 HydrophobicContact CD2-CG 4.48Å; Y40-M160 HydrophobicContact CE2-CE 3.81Å; Y40-M160 HydrophobicContact CG-CE 4.33Å; Y40-I286 HydrophobicContact CD1-CD1 3.71Å; Y40-I286 HydrophobicContact CE1-CD1 3.92Å; Y40-I286 HydrophobicContact CG-CD1 4.49Å; Y40-V349 HydrophobicContact CE1-CG1 3.86Å; Y40-V349 HydrophobicContact CE1-CG2 4.12Å; Y40-V349 VanDerWaalsContact OH-CG1 3.22Å; Y40-V349 WeakPolarHBondContact OH-CG1 3.35Å; Y40-G355 WeakPolarHBondContact CE2-O 3.13Å; Y40-W358 AromaticContact CD2-CZ2 3.75Å; Y40-W358 HydrophobicContact CD2-CZ2 3.75Å; Y40-W358 HydrophobicContact CE1-CZ2 4.46Å; Y40-W358 AromaticContact CE2-CZ2 3.49Å; Y40-W358 HydrophobicContact CE2-CZ2 3.49Å; Y40-W358 VanDerWaalsContact CE2-CZ2 3.49Å; Y40-W358 HydrophobicContact CG-CZ2 4.31Å; Y40-W358 AromaticContact CZ-CZ2 3.85Å |
| 41 | K | 92.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.9 | 171.5 | -170.3 | -154.5 | 77.7 | 81.5 | 0 | 110.2 | G53 G55 F56 I75 W150 A154 N155 D157 A158 Q159 | K41-G53 WeakPolarHBondContact CD-O 3.49Å; K41-G53 PolarHBondContact NZ-O 3.21Å; K41-G55 WeakPolarHBondContact CG-O 3.29Å; K41-F56 HydrophobicContact CB-CB 4.03Å; K41-F56 HydrophobicContact CG-CB 4.29Å; K41-I75 HydrophobicContact CD-CG2 3.85Å; K41-I75 HydrophobicContact CG-CG2 4.14Å; K41-W150 HydrophobicContact CD-CH2 3.79Å; K41-W150 HydrophobicContact CD-CZ2 3.24Å; K41-W150 HydrophobicContact CG-CZ2 4.49Å; K41-A154 WeakPolarHBondContact CE-O 3.18Å; K41-A154 PolarHBondContact NZ-O 3.22Å; K41-N155 PolarHBondContact NZ-O 3.06Å; K41-D157 WeakPolarHBondContact CE-O 3.18Å; K41-D157 PolarHBondContact NZ-O 3.22Å; K41-A158 CarbonylContact O-C 3.55Å; K41-A158 WeakPolarHBondContact O-CA 3.44Å; K41-A158 WeakPolarHBondContact O-CB 3.38Å; K41-Q159 HydrophobicContact CB-CB 4.26Å; K41-Q159 PolarHBondContact N-O 2.97Å; K41-Q159 PolarHBondContact O-N 3.03Å |
| 42 | L | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 152.6 | -179.7 | -64 | 163.1 | 0 | 0 | 0 | 111.2 | Y40 L50 Y51 G55 V57 L347 V349 | Y40-L42 HydrophobicContact CD1-CD2 4.04Å; Y40-L42 HydrophobicContact CE1-CD2 4.07Å; L42-L50 HydrophobicContact CD1-CB 3.67Å; L42-L50 HydrophobicContact CD1-CD2 3.53Å; L42-L50 HydrophobicContact CD1-CG 4.22Å; L42-L50 WeakPolarHBondContact CD1-O 3.07Å; L42-Y51 HydrophobicContact CB-CD1 4.04Å; L42-Y51 HydrophobicContact CB-CE1 4.25Å; L42-Y51 HydrophobicContact CD2-CE1 4.15Å; L42-G55 PolarHBondContact N-O 3.46Å; L42-V57 HydrophobicContact CD1-CG1 4.24Å; L42-L347 HydrophobicContact CD1-CD1 3.34Å; L42-L347 HydrophobicContact CD2-CD1 4.07Å; L42-L347 HydrophobicContact CG-CD1 4.34Å; L42-V349 HydrophobicContact CD2-CG2 4.18Å |
| 43 | P | 86.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 157.9 | 175.7 | 29.5 | -32 | 0 | 0 | 0 | 111.4 | R45 Y51 P156 A158 N353 | P43-R45 HydrophobicContact CG-CG 4.33Å; P43-R45 PolarHBondContact O-N 3.21Å; P43-Y51 HydrophobicContact CG-CD1 4.39Å; P43-Y51 HydrophobicContact CG-CE1 4.43Å; P43-Y51 WeakPolarHBondContact O-CD1 3.23Å; P43-P156 WeakPolarHBondContact CA-O 3.22Å; P43-P156 WeakPolarHBondContact CB-O 3.26Å; P43-A158 HydrophobicContact CB-CB 4.41Å; P43-A158 HydrophobicContact CG-CB 4.45Å; P43-N353 WeakPolarHBondContact CB-ND2 2.79Å |
| 44 | K | 87.5 | Confident | 87.5 | Confident | 95 Ų | 95 | 40.2 Ų | 40.2 | 41% | 0.413 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -74.5 | 116.7 | 172.4 | -170.3 | 170.3 | -179.8 | 176.6 | 0 | 109.8 | S46 D47 Y51 P156 | K44-S46 WeakPolarHBondContact CE-O 3.48Å; K44-D47 WeakPolarHBondContact CE-OD1 3.46Å; K44-D47 IonicContact NZ-OD1 3.74Å; K44-D47 PolarHBondContact NZ-OD1 3.25Å; K44-Y51 CarbonylContact C-O 3.58Å; K44-Y51 WeakPolarHBondContact CA-O 2.96Å; K44-P156 PolarHBondContact N-O 2.85Å |
| 45 | R | 83.4 | Confident | 87.3 | Confident | 134 Ų | 134 | 40.3 Ų | 40.3 | 51% | 0.506 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -131 | -18.4 | 174.6 | -58.1 | -66.9 | -175.3 | 172.1 | 1.3 | 113 | P43 Y51 E352 | P43-R45 HydrophobicContact CG-CG 4.33Å; P43-R45 PolarHBondContact O-N 3.21Å; R45-Y51 HydrophobicContact CB-CD1 4.3Å; R45-Y51 HydrophobicContact CB-CG 4.31Å; R45-Y51 HydrophobicContact CG-CD1 4.09Å; R45-Y51 PolarHBondContact N-O 3.46Å; R45-E352 IonicContact CZ-OE2 2.71Å; R45-E352 IonicContact NH1-OE2 3.74Å; R45-E352 IonicContact NH2-OE2 3.33Å; R45-E352 PolarHBondContact NH2-OE2 2.85Å |
| 46 | S | 82.3 | Confident | 87.1 | Confident | 47 Ų | 47 | 40.1 Ų | 40.1 | 33% | 0.329 | 21% | 0.212 | S | C | . | . | trans | -132.5 | 174.5 | 170.7 | -165.9 | 0 | 0 | 0 | 0 | 109.5 | K44 D48 Y51 N52 | K44-S46 WeakPolarHBondContact CE-O 3.48Å; S46-D48 WeakPolarHBondContact CB-OD1 3.46Å; S46-D48 PolarHBondContact OG-N 3.31Å; S46-D48 PolarHBondContact OG-OD1 2.7Å; S46-Y51 PolarHBondContact N-O 2.74Å; S46-N52 WeakPolarHBondContact O-CA 3.46Å | ||
| 47 | D | 82.8 | Confident | 86.7 | Confident | 132 Ų | 132 | 37.8 Ų | 37.8 | 71% | 0.706 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -90.7 | -13.3 | 166.9 | -72 | -43.7 | 0 | 0 | 0 | 112.3 | K44 N52 | K44-D47 WeakPolarHBondContact CE-OD1 3.46Å; K44-D47 IonicContact NZ-OD1 3.74Å; K44-D47 PolarHBondContact NZ-OD1 3.25Å; D47-N52 WeakPolarHBondContact O-CB 3.48Å |
| 48 | D | 75.3 | Confident | 86.5 | Confident | 113 Ų | 113 | 38.3 Ų | 38.3 | 60% | 0.604 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -120.8 | 172 | -179.6 | 69.6 | -18.2 | 0 | 0 | 0 | 113.2 | S46 | S46-D48 WeakPolarHBondContact CB-OD1 3.46Å; S46-D48 PolarHBondContact OG-N 3.31Å; S46-D48 PolarHBondContact OG-OD1 2.7Å |
| 49 | G | 75.7 | Confident | 86.3 | Confident | 57 Ų | 57 | 38 Ų | 38 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | 62.1 | -157.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y51 N52 | G49-Y51 VanDerWaalsContact C-N 3.27Å; G49-Y51 PolarHBondContact O-N 2.76Å; G49-N52 WeakPolarHBondContact O-CB 3.24Å; G49-N52 PolarHBondContact O-N 3.23Å; G49-N52 PolarHBondContact O-ND2 2.89Å |
| 50 | L | 82 | Confident | 86.1 | Confident | 50 Ų | 50 | 38.2 Ų | 38.2 | 26% | 0.262 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -69.6 | -21.4 | -177.6 | -97.3 | 133.5 | 0 | 0 | 0 | 113.7 | L42 N52 G55 V57 P70 L347 | L42-L50 HydrophobicContact CD1-CB 3.67Å; L42-L50 HydrophobicContact CD1-CD2 3.53Å; L42-L50 HydrophobicContact CD1-CG 4.22Å; L42-L50 WeakPolarHBondContact CD1-O 3.07Å; L50-N52 VanDerWaalsContact C-N 3.34Å; L50-G55 WeakPolarHBondContact O-CA 3.16Å; L50-V57 HydrophobicContact CD2-CG1 3.65Å; L50-P70 HydrophobicContact CD1-CB 3.79Å; L50-P70 HydrophobicContact CD2-CB 4.01Å; L50-P70 HydrophobicContact CG-CB 4.47Å; L50-L347 HydrophobicContact CB-CD1 4.32Å; L50-L347 HydrophobicContact CD2-CD1 4.39Å |
| 51 | Y | 83.7 | Confident | 86.1 | Confident | 48 Ų | 48 | 40 Ų | 40 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -94.6 | 21.4 | 178.1 | -69 | -77.9 | 0 | 0 | 0 | 113.6 | L42 P43 K44 R45 S46 G49 G53 L347 K348 | L42-Y51 HydrophobicContact CB-CD1 4.04Å; L42-Y51 HydrophobicContact CB-CE1 4.25Å; L42-Y51 HydrophobicContact CD2-CE1 4.15Å; P43-Y51 HydrophobicContact CG-CD1 4.39Å; P43-Y51 HydrophobicContact CG-CE1 4.43Å; P43-Y51 WeakPolarHBondContact O-CD1 3.23Å; K44-Y51 CarbonylContact C-O 3.58Å; K44-Y51 WeakPolarHBondContact CA-O 2.96Å; R45-Y51 HydrophobicContact CB-CD1 4.3Å; R45-Y51 HydrophobicContact CB-CG 4.31Å; R45-Y51 HydrophobicContact CG-CD1 4.09Å; R45-Y51 PolarHBondContact N-O 3.46Å; S46-Y51 PolarHBondContact N-O 2.74Å; G49-Y51 VanDerWaalsContact C-N 3.27Å; G49-Y51 PolarHBondContact O-N 2.76Å; Y51-G53 PolarHBondContact O-N 3.26Å; Y51-L347 HydrophobicContact CE2-CD1 4.49Å; Y51-L347 HydrophobicContact CE2-CD2 3.76Å; Y51-L347 WeakPolarHBondContact OH-CA 3.43Å; Y51-L347 WeakPolarHBondContact OH-CB 3.35Å; Y51-K348 PolarHBondContact OH-N 2.94Å; Y51-K348 PolarHBondContact OH-O 3.26Å |
| 52 | N | 84.4 | Confident | 85.7 | Confident | 56 Ų | 56 | 44 Ų | 44 | 30% | 0.299 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.2 | -3.5 | 177.4 | 68.7 | 5.3 | 0 | 0 | 0 | 114.5 | S46 D47 G49 L50 N54 G55 | S46-N52 WeakPolarHBondContact O-CA 3.46Å; D47-N52 WeakPolarHBondContact O-CB 3.48Å; G49-N52 WeakPolarHBondContact O-CB 3.24Å; G49-N52 PolarHBondContact O-N 3.23Å; G49-N52 PolarHBondContact O-ND2 2.89Å; L50-N52 VanDerWaalsContact C-N 3.34Å; N52-N54 WeakPolarHBondContact OD1-CA 3.41Å; N52-N54 PolarHBondContact OD1-N 3.13Å; N52-G55 PolarHBondContact OD1-N 2.7Å |
| 53 | G | 88.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 95.7 | -12.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | K41 Y51 | K41-G53 WeakPolarHBondContact CD-O 3.49Å; K41-G53 PolarHBondContact NZ-O 3.21Å; Y51-G53 PolarHBondContact O-N 3.26Å |
| 54 | N | 92 | Very high | 83.4 | Confident | 29 Ų | 29 | 51.2 Ų | 51.2 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -116.7 | -17.6 | 175.9 | -65.7 | -10.9 | 0 | 0 | 0 | 112.9 | N52 I75 D76 | N52-N54 WeakPolarHBondContact OD1-CA 3.41Å; N52-N54 PolarHBondContact OD1-N 3.13Å; N54-I75 HydrophobicContact CB-CG2 4.28Å; N54-I75 WeakPolarHBondContact O-CB 3.47Å; N54-I75 WeakPolarHBondContact O-CG2 3.12Å; N54-I75 PolarHBondContact O-N 2.81Å; N54-D76 PolarHBondContact ND2-OD1 2.91Å; N54-D76 PolarHBondContact ND2-OD2 3.49Å |
| 55 | G | 90 | Very high | 81.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | trans | -63.1 | 138.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K41 L42 L50 N52 | K41-G55 WeakPolarHBondContact CG-O 3.29Å; L42-G55 PolarHBondContact N-O 3.46Å; L50-G55 WeakPolarHBondContact O-CA 3.16Å; N52-G55 PolarHBondContact OD1-N 2.7Å | ||
| 56 | F | 90.4 | Very high | 81 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 162.4 | 180 | 75.6 | -90 | 0 | 0 | 0 | 111.1 | L39 Y40 K41 F58 S71 V73 I75 Q80 M81 | L39-F56 HydrophobicContact CD1-CD2 3.46Å; L39-F56 VanDerWaalsContact CD1-CD2 3.46Å; L39-F56 HydrophobicContact CD1-CE2 3.35Å; L39-F56 HydrophobicContact CD1-CG 4.15Å; L39-F56 HydrophobicContact CD1-CZ 3.98Å; L39-F56 HydrophobicContact CD2-CB 4.34Å; L39-F56 HydrophobicContact CD2-CD2 4.16Å; L39-F56 HydrophobicContact CD2-CG 4.35Å; L39-F56 HydrophobicContact CG-CD2 3.49Å; L39-F56 VanDerWaalsContact CG-CD2 3.49Å; L39-F56 HydrophobicContact CG-CE2 3.89Å; L39-F56 HydrophobicContact CG-CG 4.17Å; Y40-F56 CarbonylContact O-C 3.59Å; Y40-F56 VanDerWaalsContact O-CA 3.25Å; Y40-F56 WeakPolarHBondContact O-CA 3.48Å; Y40-F56 WeakPolarHBondContact O-CB 3.14Å; K41-F56 HydrophobicContact CB-CB 4.03Å; K41-F56 HydrophobicContact CG-CB 4.29Å; F56-F58 HydrophobicContact CD2-CD1 4.28Å; F56-F58 HydrophobicContact CE2-CB 4.46Å; F56-F58 AromaticContact CE2-CD1 3.73Å; F56-F58 HydrophobicContact CE2-CD1 3.73Å; F56-F58 HydrophobicContact CE2-CE1 4.46Å; F56-S71 VanDerWaalsContact CE1-CB 3.41Å; F56-S71 WeakPolarHBondContact CE1-OG 3.17Å; F56-S71 VanDerWaalsContact CE2-CB 3.47Å; F56-S71 WeakPolarHBondContact CZ-OG 3.44Å; F56-S71 PolarHBondContact O-N 3.01Å; F56-V73 WeakPolarHBondContact CE1-O 3.33Å; F56-I75 HydrophobicContact CD1-CB 3.81Å; F56-I75 HydrophobicContact CD1-CD1 3.88Å; F56-I75 HydrophobicContact CD1-CG1 4.4Å; F56-I75 HydrophobicContact CE1-CB 4.33Å; F56-I75 HydrophobicContact CE1-CD1 4.03Å; F56-I75 HydrophobicContact CG-CD1 4.21Å; F56-I75 HydrophobicContact CZ-CD1 4.49Å; F56-Q80 HydrophobicContact CE1-CB 3.86Å; F56-Q80 HydrophobicContact CE1-CG 4.22Å; F56-Q80 HydrophobicContact CZ-CB 3.68Å; F56-Q80 HydrophobicContact CZ-CG 4.42Å; F56-M81 HydrophobicContact CE2-CG 4.41Å; F56-M81 HydrophobicContact CE2-SD 4.47Å |
| 57 | V | 88 | Confident | 80.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.5 | 178.8 | -58.3 | 0 | 0 | 0 | 0 | 108.2 | Y40 L42 L50 W68 T69 P70 I286 I288 L347 | Y40-V57 HydrophobicContact CD1-CG2 4.34Å; Y40-V57 PolarHBondContact N-O 2.89Å; Y40-V57 PolarHBondContact O-N 2.84Å; L42-V57 HydrophobicContact CD1-CG1 4.24Å; L50-V57 HydrophobicContact CD2-CG1 3.65Å; V57-W68 HydrophobicContact CB-CB 4.23Å; V57-W68 HydrophobicContact CB-CE3 4.1Å; V57-W68 HydrophobicContact CG2-CB 4.28Å; V57-W68 HydrophobicContact CG2-CD2 4.02Å; V57-W68 HydrophobicContact CG2-CE3 3.48Å; V57-W68 VanDerWaalsContact CG2-CE3 3.48Å; V57-W68 HydrophobicContact CG2-CG 4.41Å; V57-W68 HydrophobicContact CG2-CZ3 4.08Å; V57-T69 CarbonylContact C-O 3.55Å; V57-T69 WeakPolarHBondContact CA-O 3.29Å; V57-P70 HydrophobicContact CG1-CB 4.38Å; V57-I286 HydrophobicContact CG2-CD1 4.47Å; V57-I286 HydrophobicContact CG2-CG2 4.38Å; V57-I288 HydrophobicContact CB-CD1 4.21Å; V57-I288 HydrophobicContact CG1-CD1 3.3Å; V57-L347 HydrophobicContact CG1-CD1 4.35Å |
| 58 | F | 88.4 | Confident | 80.1 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.5 | -177.5 | 62.9 | -95.1 | 0 | 0 | 0 | 113 | I38 F56 D60 T69 M81 | I38-F58 CarbonylContact O-C 3.59Å; I38-F58 WeakPolarHBondContact O-CA 3.11Å; I38-F58 WeakPolarHBondContact O-CB 3.47Å; F56-F58 HydrophobicContact CD2-CD1 4.28Å; F56-F58 HydrophobicContact CE2-CB 4.46Å; F56-F58 AromaticContact CE2-CD1 3.73Å; F56-F58 HydrophobicContact CE2-CD1 3.73Å; F56-F58 HydrophobicContact CE2-CE1 4.46Å; F58-D60 VanDerWaalsContact CE2-OD2 3.31Å; F58-D60 WeakPolarHBondContact CE2-OD2 3.5Å; F58-T69 WeakPolarHBondContact CD1-O 3.3Å; F58-T69 HydrophobicContact CE1-CG2 4.02Å; F58-T69 HydrophobicContact CE2-CG2 4.04Å; F58-T69 HydrophobicContact CZ-CG2 3.66Å; F58-T69 PolarHBondContact N-O 3.31Å; F58-T69 PolarHBondContact O-N 2.96Å; F58-M81 HydrophobicContact CB-CE 3.58Å; F58-M81 HydrophobicContact CB-SD 3.75Å; F58-M81 HydrophobicContact CD1-CE 3.5Å; F58-M81 HydrophobicContact CD1-SD 4.5Å; F58-M81 HydrophobicContact CD2-CE 3.21Å; F58-M81 HydrophobicContact CD2-SD 4.43Å; F58-M81 HydrophobicContact CE1-CE 3.84Å; F58-M81 HydrophobicContact CE2-CE 3.57Å; F58-M81 HydrophobicContact CG-CE 3.14Å; F58-M81 HydrophobicContact CG-SD 4.02Å; F58-M81 HydrophobicContact CZ-CE 3.85Å |
| 59 | I | 87 | Confident | 80.3 | Confident | 15 Ų | 15 | 37.5 Ų | 37.5 | 8% | 0.077 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 139.3 | 165 | -59.4 | 165.6 | 0 | 0 | 0 | 106.1 | W36 F37 I38 T66 W68 | W36-I59 HydrophobicContact CH2-CG2 4.07Å; W36-I59 HydrophobicContact CZ3-CG2 3.97Å; F37-I59 CarbonylContact C-O 3.56Å; F37-I59 VanDerWaalsContact CA-O 3.27Å; F37-I59 WeakPolarHBondContact CA-O 3.47Å; F37-I59 WeakPolarHBondContact CB-O 3.25Å; I38-I59 PolarHBondContact N-O 2.77Å; I38-I59 PolarHBondContact O-N 3.32Å; I59-T66 WeakPolarHBondContact CD1-O 3.38Å; I59-T66 HydrophobicContact CG2-CG2 4.43Å; I59-W68 HydrophobicContact CD1-CD2 3.66Å; I59-W68 HydrophobicContact CD1-CE3 4.12Å; I59-W68 HydrophobicContact CD1-CG 3.97Å; I59-W68 HydrophobicContact CD1-CH2 4.48Å; I59-W68 HydrophobicContact CD1-CZ2 4.02Å; I59-W68 HydrophobicContact CG1-CD2 3.8Å; I59-W68 HydrophobicContact CG1-CE3 3.89Å; I59-W68 HydrophobicContact CG1-CG 4.09Å; I59-W68 HydrophobicContact CG1-CZ3 4.42Å |
| 60 | D | 89.9 | Confident | 80.6 | Confident | 6 Ų | 6 | 35.8 Ų | 35.8 | 3% | 0.032 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 166.7 | 178.6 | 63.7 | 55.7 | 0 | 0 | 0 | 111.2 | L34 F37 F58 S62 K63 | L34-D60 HydrophobicContact CD1-CB 3.87Å; L34-D60 HydrophobicContact CD2-CB 4.28Å; F37-D60 HydrophobicContact CB-CB 3.95Å; F58-D60 VanDerWaalsContact CE2-OD2 3.31Å; F58-D60 WeakPolarHBondContact CE2-OD2 3.5Å; D60-S62 PolarHBondContact O-N 2.83Å; D60-S62 WeakPolarHBondContact OD1-CA 3.18Å; D60-S62 VanDerWaalsContact OD1-CB 3.25Å; D60-S62 WeakPolarHBondContact OD1-CB 3.31Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 2.97Å; D60-K63 PolarHBondContact OD1-N 3.1Å |
| 61 | S | 89.8 | Confident | 80.7 | Confident | 38 Ų | 38 | 34.1 Ų | 34.1 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -7.4 | 179.9 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | D35 W36 | D35-S61 WeakPolarHBondContact CB-OG 3.48Å; D35-S61 PolarHBondContact N-OG 3.05Å; W36-S61 PolarHBondContact N-OG 3.16Å; W36-S61 PolarHBondContact O-N 2.54Å; W36-S61 PolarHBondContact O-OG 3.5Å |
| 62 | S | 83.1 | Confident | 80.6 | Confident | 82 Ų | 82 | 40.5 Ų | 40.5 | 57% | 0.573 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -22.3 | -178.1 | 78.9 | 0 | 0 | 0 | 0 | 112.5 | D60 | D60-S62 PolarHBondContact O-N 2.83Å; D60-S62 WeakPolarHBondContact OD1-CA 3.18Å; D60-S62 VanDerWaalsContact OD1-CB 3.25Å; D60-S62 WeakPolarHBondContact OD1-CB 3.31Å; D60-S62 PolarHBondContact OD1-N 3.41Å; D60-S62 PolarHBondContact OD1-OG 2.97Å |
| 63 | K | 70.2 | Confident | 80.7 | Confident | 79 Ų | 79 | 39.5 Ų | 39.5 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -99.5 | 133.2 | -176.5 | -60.5 | -177.2 | -169.8 | -177.2 | 0 | 110.1 | D60 N65 T69 | D60-K63 PolarHBondContact OD1-N 3.1Å; K63-N65 PolarHBondContact O-N 3.01Å; K63-T69 PolarHBondContact NZ-OG1 3.06Å |
| 64 | P | 57.1 | Low | 80.8 | Confident | 76 Ų | 76 | 40.2 Ų | 40.2 | 49% | 0.494 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -67.3 | -25.1 | 178.3 | 27.7 | -34.4 | 0 | 0 | 0 | 112.3 | W295 S324 | P64-W295 HydrophobicContact CG-CZ2 4.37Å; P64-S324 WeakPolarHBondContact CB-OG 3.44Å |
| 65 | N | 57 | Low | 80.9 | Confident | 27 Ų | 27 | 38.9 Ų | 38.9 | 14% | 0.144 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -106.1 | 141.3 | 178.1 | -53.7 | -36 | 0 | 0 | 0 | 112.1 | K63 F67 Q321 I322 | K63-N65 PolarHBondContact O-N 3.01Å; N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 HydrophobicContact CB-CD2 3.49Å; N65-F67 VanDerWaalsContact CB-CD2 3.49Å; N65-F67 HydrophobicContact CB-CE2 3.67Å; N65-F67 PolarHBondContact O-N 3.13Å; N65-F67 VanDerWaalsContact O-N 3.12Å; N65-Q321 PolarHBondContact OD1-O 2.92Å; N65-I322 PolarHBondContact ND2-O 3.46Å; N65-I322 PolarHBondContact OD1-O 3.37Å |
| 66 | T | 63.7 | Low | 81.2 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | trans | -87.9 | 40 | -174.9 | 52.4 | 0 | 0 | 0 | 0 | 113.7 | I59 | I59-T66 WeakPolarHBondContact CD1-O 3.38Å; I59-T66 HydrophobicContact CG2-CG2 4.43Å | ||
| 67 | F | 68.7 | Low | 81.3 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 28% | 0.276 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -84.1 | 139 | 176 | -66.1 | -91.7 | 0 | 0 | 0 | 111.1 | N65 T69 W341 | N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 HydrophobicContact CB-CD2 3.49Å; N65-F67 VanDerWaalsContact CB-CD2 3.49Å; N65-F67 HydrophobicContact CB-CE2 3.67Å; N65-F67 PolarHBondContact O-N 3.13Å; N65-F67 VanDerWaalsContact O-N 3.12Å; F67-T69 PolarHBondContact O-N 3.27Å; F67-W341 HydrophobicContact CB-CH2 3.95Å; F67-W341 HydrophobicContact CB-CZ2 3.66Å; F67-W341 HydrophobicContact CD1-CD2 4.34Å; F67-W341 HydrophobicContact CD1-CE3 4.09Å; F67-W341 AromaticContact CD1-CH2 3.49Å; F67-W341 HydrophobicContact CD1-CH2 3.49Å; F67-W341 VanDerWaalsContact CD1-CH2 3.49Å; F67-W341 AromaticContact CD1-CZ2 3.61Å; F67-W341 HydrophobicContact CD1-CZ2 3.61Å; F67-W341 AromaticContact CD1-CZ3 3.69Å; F67-W341 HydrophobicContact CD1-CZ3 3.69Å; F67-W341 AromaticContact CD2-CH2 2.87Å; F67-W341 HydrophobicContact CD2-CH2 2.87Å; F67-W341 AromaticContact CD2-CZ2 3.55Å; F67-W341 HydrophobicContact CD2-CZ2 3.55Å; F67-W341 AromaticContact CD2-CZ3 3.5Å; F67-W341 HydrophobicContact CD2-CZ3 3.5Å; F67-W341 HydrophobicContact CE1-CD2 4.28Å; F67-W341 AromaticContact CE1-CE3 3.63Å; F67-W341 HydrophobicContact CE1-CE3 3.63Å; F67-W341 AromaticContact CE1-CH2 3.61Å; F67-W341 HydrophobicContact CE1-CH2 3.61Å; F67-W341 HydrophobicContact CE1-CZ2 4.12Å; F67-W341 AromaticContact CE1-CZ3 3.29Å; F67-W341 HydrophobicContact CE1-CZ3 3.29Å; F67-W341 HydrophobicContact CE2-CE3 4.19Å; F67-W341 AromaticContact CE2-CH2 3Å; F67-W341 HydrophobicContact CE2-CH2 3Å; F67-W341 HydrophobicContact CE2-CZ2 4.05Å; F67-W341 AromaticContact CE2-CZ3 3.05Å; F67-W341 HydrophobicContact CE2-CZ3 3.05Å; F67-W341 AromaticContact CG-CH2 3.12Å; F67-W341 HydrophobicContact CG-CH2 3.12Å; F67-W341 AromaticContact CG-CZ2 3.28Å; F67-W341 HydrophobicContact CG-CZ2 3.28Å; F67-W341 AromaticContact CG-CZ3 3.78Å; F67-W341 HydrophobicContact CG-CZ3 3.78Å; F67-W341 AromaticContact CZ-CE3 3.69Å; F67-W341 HydrophobicContact CZ-CE3 3.69Å; F67-W341 AromaticContact CZ-CH2 3.38Å; F67-W341 HydrophobicContact CZ-CH2 3.38Å; F67-W341 HydrophobicContact CZ-CZ2 4.32Å; F67-W341 AromaticContact CZ-CZ3 2.94Å; F67-W341 HydrophobicContact CZ-CZ3 2.94Å |
| 68 | W | 78 | Confident | 81.4 | Confident | 29 Ų | 29 | 53 Ų | 53 | 11% | 0.11 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 122.3 | 175.3 | -68.2 | 94.9 | 0 | 0 | 0 | 109.8 | I38 Y40 V57 I59 I286 I288 P289 W358 | I38-W68 HydrophobicContact CG2-CH2 3.7Å; I38-W68 HydrophobicContact CG2-CZ3 4.17Å; Y40-W68 VanDerWaalsContact CB-CZ3 3.49Å; V57-W68 HydrophobicContact CB-CB 4.23Å; V57-W68 HydrophobicContact CB-CE3 4.1Å; V57-W68 HydrophobicContact CG2-CB 4.28Å; V57-W68 HydrophobicContact CG2-CD2 4.02Å; V57-W68 HydrophobicContact CG2-CE3 3.48Å; V57-W68 VanDerWaalsContact CG2-CE3 3.48Å; V57-W68 HydrophobicContact CG2-CG 4.41Å; V57-W68 HydrophobicContact CG2-CZ3 4.08Å; I59-W68 HydrophobicContact CD1-CD2 3.66Å; I59-W68 HydrophobicContact CD1-CE3 4.12Å; I59-W68 HydrophobicContact CD1-CG 3.97Å; I59-W68 HydrophobicContact CD1-CH2 4.48Å; I59-W68 HydrophobicContact CD1-CZ2 4.02Å; I59-W68 HydrophobicContact CG1-CD2 3.8Å; I59-W68 HydrophobicContact CG1-CE3 3.89Å; I59-W68 HydrophobicContact CG1-CG 4.09Å; I59-W68 HydrophobicContact CG1-CZ3 4.42Å; W68-I286 HydrophobicContact CB-CG2 3.65Å; W68-I286 VanDerWaalsContact CD1-CG2 3.46Å; W68-I286 HydrophobicContact CD2-CG2 4.11Å; W68-I286 HydrophobicContact CG-CG2 3.45Å; W68-I286 VanDerWaalsContact CG-CG2 3.45Å; W68-I288 HydrophobicContact CB-CG1 4.45Å; W68-P289 VanDerWaalsContact O-CD 3.25Å; W68-P289 WeakPolarHBondContact O-CD 3.32Å; W68-W358 HydrophobicContact CZ2-CH2 4.27Å |
| 69 | T | 79.8 | Confident | 81.4 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.5 | 177.3 | -57.9 | 0 | 0 | 0 | 0 | 108.4 | V57 F58 K63 F67 S71 T292 | V57-T69 CarbonylContact C-O 3.55Å; V57-T69 WeakPolarHBondContact CA-O 3.29Å; F58-T69 WeakPolarHBondContact CD1-O 3.3Å; F58-T69 HydrophobicContact CE1-CG2 4.02Å; F58-T69 HydrophobicContact CE2-CG2 4.04Å; F58-T69 HydrophobicContact CZ-CG2 3.66Å; F58-T69 PolarHBondContact N-O 3.31Å; F58-T69 PolarHBondContact O-N 2.96Å; K63-T69 PolarHBondContact NZ-OG1 3.06Å; F67-T69 PolarHBondContact O-N 3.27Å; T69-S71 PolarHBondContact O-N 2.86Å; T69-T292 HydrophobicContact CG2-CG2 4.17Å |
| 70 | P | 80.7 | Confident | 81.7 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 132.1 | 173.3 | 29.4 | -28.1 | 0 | 0 | 0 | 109.3 | L50 V57 I288 | L50-P70 HydrophobicContact CD1-CB 3.79Å; L50-P70 HydrophobicContact CD2-CB 4.01Å; L50-P70 HydrophobicContact CG-CB 4.47Å; V57-P70 HydrophobicContact CG1-CB 4.38Å; P70-I288 HydrophobicContact CB-CG2 4.19Å; P70-I288 HydrophobicContact CG-CG2 3.76Å |
| 71 | S | 85.2 | Confident | 81.9 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 145 | 171.5 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | E28 F56 T69 V73 | E28-S71 VanDerWaalsContact OE1-CB 3.3Å; E28-S71 WeakPolarHBondContact OE1-CB 3.33Å; E28-S71 PolarHBondContact OE1-OG 3.22Å; F56-S71 VanDerWaalsContact CE1-CB 3.41Å; F56-S71 WeakPolarHBondContact CE1-OG 3.17Å; F56-S71 VanDerWaalsContact CE2-CB 3.47Å; F56-S71 WeakPolarHBondContact CZ-OG 3.44Å; F56-S71 PolarHBondContact O-N 3.01Å; T69-S71 PolarHBondContact O-N 2.86Å; S71-V73 VanDerWaalsContact C-N 3.29Å; S71-V73 VanDerWaalsContact OG-CG2 3.29Å; S71-V73 WeakPolarHBondContact OG-CG2 3.47Å; S71-V73 PolarHBondContact OG-N 2.98Å; S71-V73 VanDerWaalsContact OG-N 3.16Å; S71-V73 PolarHBondContact OG-O 2.83Å; S71-V73 VanDerWaalsContact OG-O 3.05Å |
| 72 | K | 80.7 | Confident | 82.2 | Confident | 181 Ų | 181 | 53.6 Ų | 53.6 | 79% | 0.787 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -82.1 | -11.7 | 173.7 | -65.2 | -178 | 179.3 | 179.1 | 0 | 112.6 | ||
| 73 | V | 85.8 | Confident | 82.9 | Confident | 35 Ų | 35 | 51.7 Ų | 51.7 | 21% | 0.212 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -122.6 | 147.4 | -174.4 | -68.8 | 0 | 0 | 0 | 0 | 109.9 | F56 S71 D79 Q80 | F56-V73 WeakPolarHBondContact CE1-O 3.33Å; S71-V73 VanDerWaalsContact C-N 3.29Å; S71-V73 VanDerWaalsContact OG-CG2 3.29Å; S71-V73 WeakPolarHBondContact OG-CG2 3.47Å; S71-V73 PolarHBondContact OG-N 2.98Å; S71-V73 VanDerWaalsContact OG-N 3.16Å; S71-V73 PolarHBondContact OG-O 2.83Å; S71-V73 VanDerWaalsContact OG-O 3.05Å; V73-D79 WeakPolarHBondContact CG1-OD2 3.33Å; V73-Q80 HydrophobicContact CG2-CB 3.75Å |
| 74 | G | 91.1 | Very high | 84.1 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | trans | -69.5 | 150.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D76 Q77 | G74-D76 PolarHBondContact O-N 3Å; G74-D76 VanDerWaalsContact O-N 3.07Å; G74-Q77 WeakPolarHBondContact O-CB 3.41Å; G74-Q77 PolarHBondContact O-N 3.47Å | ||
| 75 | I | 95.3 | Very high | 86 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20.5 | 176.1 | -163.4 | 60 | 0 | 0 | 0 | 112.9 | L39 K41 N54 F56 Q77 Q80 Y148 W150 | L39-I75 HydrophobicContact CD1-CD1 3.54Å; L39-I75 HydrophobicContact CD2-CD1 3.74Å; L39-I75 HydrophobicContact CG-CD1 4.27Å; K41-I75 HydrophobicContact CD-CG2 3.85Å; K41-I75 HydrophobicContact CG-CG2 4.14Å; N54-I75 HydrophobicContact CB-CG2 4.28Å; N54-I75 WeakPolarHBondContact O-CB 3.47Å; N54-I75 WeakPolarHBondContact O-CG2 3.12Å; N54-I75 PolarHBondContact O-N 2.81Å; F56-I75 HydrophobicContact CD1-CB 3.81Å; F56-I75 HydrophobicContact CD1-CD1 3.88Å; F56-I75 HydrophobicContact CD1-CG1 4.4Å; F56-I75 HydrophobicContact CE1-CB 4.33Å; F56-I75 HydrophobicContact CE1-CD1 4.03Å; F56-I75 HydrophobicContact CG-CD1 4.21Å; F56-I75 HydrophobicContact CZ-CD1 4.49Å; I75-Q77 VanDerWaalsContact C-N 3.35Å; I75-Q80 PolarHBondContact O-NE2 2.9Å; I75-Y148 WeakPolarHBondContact O-CE1 3.36Å; I75-Y148 PolarHBondContact O-OH 3.19Å; I75-W150 HydrophobicContact CB-CD2 4.44Å; I75-W150 HydrophobicContact CB-CE3 4.27Å; I75-W150 HydrophobicContact CB-CZ3 4.39Å; I75-W150 HydrophobicContact CD1-CZ3 4.32Å; I75-W150 HydrophobicContact CG1-CD2 4.11Å; I75-W150 HydrophobicContact CG1-CE3 3.48Å; I75-W150 VanDerWaalsContact CG1-CE3 3.48Å; I75-W150 HydrophobicContact CG1-CH2 3.89Å; I75-W150 HydrophobicContact CG1-CZ2 4.5Å; I75-W150 HydrophobicContact CG1-CZ3 3.32Å; I75-W150 HydrophobicContact CG2-CD2 3.53Å; I75-W150 HydrophobicContact CG2-CE3 3.84Å; I75-W150 HydrophobicContact CG2-CG 3.98Å; I75-W150 HydrophobicContact CG2-CH2 4.23Å; I75-W150 HydrophobicContact CG2-CZ2 4Å; I75-W150 HydrophobicContact CG2-CZ3 4.15Å |
| 76 | D | 94.7 | Very high | 87.9 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 34% | 0.337 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.7 | 177.5 | 63.5 | -36.3 | 0 | 0 | 0 | 113.9 | N54 G74 W150 | N54-D76 PolarHBondContact ND2-OD1 2.91Å; N54-D76 PolarHBondContact ND2-OD2 3.49Å; G74-D76 PolarHBondContact O-N 3Å; G74-D76 VanDerWaalsContact O-N 3.07Å; D76-W150 HydrophobicContact CB-CB 3.84Å; D76-W150 HydrophobicContact CB-CG 4.27Å |
| 77 | Q | 93.8 | Very high | 89.4 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 43% | 0.425 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -88.6 | 166.3 | -178.7 | -54.8 | -56.4 | -45.7 | 0 | 0 | 113 | G74 I75 D79 Q80 | G74-Q77 WeakPolarHBondContact O-CB 3.41Å; G74-Q77 PolarHBondContact O-N 3.47Å; I75-Q77 VanDerWaalsContact C-N 3.35Å; Q77-D79 VanDerWaalsContact CB-OD1 3.26Å; Q77-D79 WeakPolarHBondContact CB-OD1 3.21Å; Q77-Q80 WeakPolarHBondContact O-CG 3.47Å; Q77-Q80 PolarHBondContact O-NE2 2.75Å |
| 78 | K | 89.3 | Confident | 90.7 | Very high | 151 Ų | 151 | 39.2 Ų | 39.2 | 66% | 0.657 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 3 | -172.6 | -64.6 | -173.5 | 177.5 | 177.3 | 0 | 114.6 | Y83 | K78-Y83 VanDerWaalsContact C-CD1 3.42Å; K78-Y83 HydrophobicContact CB-CD1 4.1Å; K78-Y83 HydrophobicContact CB-CD2 4.19Å; K78-Y83 HydrophobicContact CB-CE1 3.78Å; K78-Y83 HydrophobicContact CB-CE2 3.95Å; K78-Y83 HydrophobicContact CB-CG 4.3Å; K78-Y83 HydrophobicContact CD-CE2 4.2Å; K78-Y83 HydrophobicContact CG-CD2 4.11Å; K78-Y83 HydrophobicContact CG-CE1 4.34Å; K78-Y83 HydrophobicContact CG-CE2 3.64Å; K78-Y83 WeakPolarHBondContact O-CD1 3.41Å; K78-Y83 WeakPolarHBondContact O-CE1 3.47Å |
| 79 | D | 87.6 | Confident | 91.6 | Very high | 82 Ų | 82 | 38.6 Ų | 38.6 | 44% | 0.439 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 15.7 | -172.1 | 51 | -6.2 | 0 | 0 | 0 | 112.6 | E28 V73 Q77 | E28-D79 WeakPolarHBondContact CB-O 2.96Å; V73-D79 WeakPolarHBondContact CG1-OD2 3.33Å; Q77-D79 VanDerWaalsContact CB-OD1 3.26Å; Q77-D79 WeakPolarHBondContact CB-OD1 3.21Å |
| 80 | Q | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -105.1 | 157.1 | 174 | 55.9 | 73.4 | 26 | 0 | 0 | 113 | F56 V73 I75 Q77 L82 Y83 T84 Y148 | F56-Q80 HydrophobicContact CE1-CB 3.86Å; F56-Q80 HydrophobicContact CE1-CG 4.22Å; F56-Q80 HydrophobicContact CZ-CB 3.68Å; F56-Q80 HydrophobicContact CZ-CG 4.42Å; V73-Q80 HydrophobicContact CG2-CB 3.75Å; I75-Q80 PolarHBondContact O-NE2 2.9Å; Q77-Q80 WeakPolarHBondContact O-CG 3.47Å; Q77-Q80 PolarHBondContact O-NE2 2.75Å; Q80-L82 PolarHBondContact O-N 2.69Å; Q80-L82 VanDerWaalsContact OE1-CB 3.23Å; Q80-Y83 WeakPolarHBondContact O-CA 3.46Å; Q80-Y83 WeakPolarHBondContact O-CB 3.45Å; Q80-Y83 PolarHBondContact O-N 3.06Å; Q80-T84 WeakPolarHBondContact O-CG2 3.49Å; Q80-T84 PolarHBondContact O-N 3.12Å; Q80-T84 PolarHBondContact O-OG1 3.28Å; Q80-Y148 PolarHBondContact NE2-OH 2.69Å |
| 81 | M | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -53.5 | -37.4 | -169.7 | 56.6 | 178.1 | 60.6 | 0 | 0 | 116.7 | R26 F37 L39 F56 F58 T84 T85 | R26-M81 WeakPolarHBondContact O-CB 3.31Å; F37-M81 HydrophobicContact CB-SD 4.21Å; F37-M81 HydrophobicContact CD1-SD 4.27Å; F37-M81 HydrophobicContact CD2-CG 4.32Å; F37-M81 HydrophobicContact CD2-SD 3.43Å; F37-M81 WeakPolarHBondContact CD2-SD 3.18Å; F37-M81 HydrophobicContact CE1-CB 4.18Å; F37-M81 HydrophobicContact CE2-CG 4.05Å; F37-M81 HydrophobicContact CE2-SD 3.75Å; F37-M81 HydrophobicContact CG-SD 3.72Å; F37-M81 HydrophobicContact CZ-CB 4.21Å; F37-M81 HydrophobicContact CZ-CG 4.15Å; F37-M81 HydrophobicContact CZ-SD 4.29Å; L39-M81 HydrophobicContact CB-SD 4.18Å; L39-M81 HydrophobicContact CD1-CG 3.65Å; L39-M81 HydrophobicContact CD1-SD 3.84Å; L39-M81 HydrophobicContact CG-SD 4.5Å; F56-M81 HydrophobicContact CE2-CG 4.41Å; F56-M81 HydrophobicContact CE2-SD 4.47Å; F58-M81 HydrophobicContact CB-CE 3.58Å; F58-M81 HydrophobicContact CB-SD 3.75Å; F58-M81 HydrophobicContact CD1-CE 3.5Å; F58-M81 HydrophobicContact CD1-SD 4.5Å; F58-M81 HydrophobicContact CD2-CE 3.21Å; F58-M81 HydrophobicContact CD2-SD 4.43Å; F58-M81 HydrophobicContact CE1-CE 3.84Å; F58-M81 HydrophobicContact CE2-CE 3.57Å; F58-M81 HydrophobicContact CG-CE 3.14Å; F58-M81 HydrophobicContact CG-SD 4.02Å; F58-M81 HydrophobicContact CZ-CE 3.85Å; M81-T84 VanDerWaalsContact CA-OG1 3.31Å; M81-T84 WeakPolarHBondContact CA-OG1 3.4Å; M81-T84 PolarHBondContact O-OG1 2.97Å; M81-T84 VanDerWaalsContact O-OG1 3.06Å; M81-T85 WeakPolarHBondContact O-CB 3.49Å; M81-T85 PolarHBondContact O-N 3.07Å; M81-T85 PolarHBondContact O-OG1 2.78Å |
| 82 | L | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -37.2 | 178.3 | -169.4 | 64.9 | 0 | 0 | 0 | 111 | L39 Q80 L86 I136 I140 F143 Y148 A161 | L39-L82 HydrophobicContact CD1-CB 4.42Å; Q80-L82 PolarHBondContact O-N 2.69Å; Q80-L82 VanDerWaalsContact OE1-CB 3.23Å; L82-L86 HydrophobicContact CD1-CD1 4.14Å; L82-L86 HydrophobicContact CG-CD1 4.1Å; L82-L86 WeakPolarHBondContact O-CB 3.34Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 2.76Å; L82-I136 HydrophobicContact CD1-CD1 4.31Å; L82-I136 HydrophobicContact CD1-CG2 4.45Å; L82-I140 HydrophobicContact CD2-CD1 3.86Å; L82-F143 HydrophobicContact CD2-CE1 4.15Å; L82-F143 HydrophobicContact CD2-CZ 3.75Å; L82-F143 HydrophobicContact CG-CZ 4.18Å; L82-Y148 HydrophobicContact CB-CE2 4.15Å; L82-Y148 HydrophobicContact CD2-CE2 4.04Å; L82-Y148 HydrophobicContact CG-CE2 3.88Å; L82-A161 HydrophobicContact CD1-CB 4.26Å; L82-A161 HydrophobicContact CD2-CB 4.47Å |
| 83 | Y | 97 | Very high | 94.1 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.6 | -53.3 | 172.1 | 176.3 | -82.6 | 0 | 0 | 0 | 110.4 | K78 Q80 T85 L86 N87 Y148 | K78-Y83 VanDerWaalsContact C-CD1 3.42Å; K78-Y83 HydrophobicContact CB-CD1 4.1Å; K78-Y83 HydrophobicContact CB-CD2 4.19Å; K78-Y83 HydrophobicContact CB-CE1 3.78Å; K78-Y83 HydrophobicContact CB-CE2 3.95Å; K78-Y83 HydrophobicContact CB-CG 4.3Å; K78-Y83 HydrophobicContact CD-CE2 4.2Å; K78-Y83 HydrophobicContact CG-CD2 4.11Å; K78-Y83 HydrophobicContact CG-CE1 4.34Å; K78-Y83 HydrophobicContact CG-CE2 3.64Å; K78-Y83 WeakPolarHBondContact O-CD1 3.41Å; K78-Y83 WeakPolarHBondContact O-CE1 3.47Å; Q80-Y83 WeakPolarHBondContact O-CA 3.46Å; Q80-Y83 WeakPolarHBondContact O-CB 3.45Å; Q80-Y83 PolarHBondContact O-N 3.06Å; Y83-T85 PolarHBondContact O-N 2.6Å; Y83-L86 PolarHBondContact O-N 2.8Å; Y83-N87 HydrophobicContact CD1-CB 4.15Å; Y83-N87 HydrophobicContact CE1-CB 3.9Å; Y83-N87 WeakPolarHBondContact O-CB 3.18Å; Y83-N87 PolarHBondContact O-N 2.87Å; Y83-Y148 AromaticContact CD2-CD1 3.51Å; Y83-Y148 HydrophobicContact CD2-CD1 3.51Å; Y83-Y148 HydrophobicContact CD2-CD2 4.26Å; Y83-Y148 HydrophobicContact CD2-CE1 4.29Å; Y83-Y148 AromaticContact CD2-CG 3.48Å; Y83-Y148 HydrophobicContact CD2-CG 3.48Å; Y83-Y148 VanDerWaalsContact CD2-CG 3.48Å; Y83-Y148 HydrophobicContact CE2-CD1 4.4Å; Y83-Y148 HydrophobicContact CE2-CG 4.34Å; Y83-Y148 HydrophobicContact CG-CD1 4.34Å; Y83-Y148 HydrophobicContact CG-CG 4.23Å |
| 84 | T | 95.5 | Very high | 94.5 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.049 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59 | -38 | -175.8 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | S27 P30 Q80 M81 | S27-T84 PolarHBondContact O-OG1 3.01Å; P30-T84 HydrophobicContact CG-CG2 3.87Å; Q80-T84 WeakPolarHBondContact O-CG2 3.49Å; Q80-T84 PolarHBondContact O-N 3.12Å; Q80-T84 PolarHBondContact O-OG1 3.28Å; M81-T84 VanDerWaalsContact CA-OG1 3.31Å; M81-T84 WeakPolarHBondContact CA-OG1 3.4Å; M81-T84 PolarHBondContact O-OG1 2.97Å; M81-T84 VanDerWaalsContact O-OG1 3.06Å |
| 85 | T | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -54.3 | 174.2 | -61.3 | 0 | 0 | 0 | 0 | 112 | R26 M81 Y83 N87 L88 L134 I136 | R26-T85 PolarHBondContact N-OG1 3.33Å; R26-T85 PolarHBondContact O-OG1 2.8Å; M81-T85 WeakPolarHBondContact O-CB 3.49Å; M81-T85 PolarHBondContact O-N 3.07Å; M81-T85 PolarHBondContact O-OG1 2.78Å; Y83-T85 PolarHBondContact O-N 2.6Å; T85-N87 VanDerWaalsContact C-N 3.28Å; T85-N87 PolarHBondContact O-N 3.47Å; T85-L88 VanDerWaalsContact O-CB 3.22Å; T85-L88 WeakPolarHBondContact O-CB 3.5Å; T85-L88 WeakPolarHBondContact O-CD1 3.46Å; T85-L88 WeakPolarHBondContact O-CG 3.13Å; T85-L88 PolarHBondContact O-N 3.26Å; T85-L134 HydrophobicContact CG2-CD1 3.57Å; T85-L134 HydrophobicContact CG2-CD2 3.58Å; T85-L134 HydrophobicContact CG2-CG 4.23Å; T85-I136 HydrophobicContact CG2-CD1 4.14Å |
| 86 | L | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.3 | -23.4 | -176.2 | -70.8 | 175.5 | 0 | 0 | 0 | 113.4 | L82 Y83 L88 Y89 F90 I124 L126 I136 F143 Y148 | L82-L86 HydrophobicContact CD1-CD1 4.14Å; L82-L86 HydrophobicContact CG-CD1 4.1Å; L82-L86 WeakPolarHBondContact O-CB 3.34Å; L82-L86 WeakPolarHBondContact O-CG 3.33Å; L82-L86 PolarHBondContact O-N 2.76Å; Y83-L86 PolarHBondContact O-N 2.8Å; L86-L88 PolarHBondContact O-N 2.88Å; L86-Y89 PolarHBondContact O-N 2.72Å; L86-F90 HydrophobicContact CB-CD2 3.88Å; L86-F90 HydrophobicContact CB-CE2 3.93Å; L86-F90 HydrophobicContact CD1-CE2 4.42Å; L86-F90 WeakPolarHBondContact O-CD2 3.32Å; L86-F90 PolarHBondContact O-N 3.18Å; L86-I124 HydrophobicContact CD1-CD1 4Å; L86-I124 HydrophobicContact CD2-CD1 3.6Å; L86-I124 HydrophobicContact CD2-CG2 4.13Å; L86-I124 HydrophobicContact CG-CD1 4.47Å; L86-L126 HydrophobicContact CD2-CD1 4.2Å; L86-I136 HydrophobicContact CD2-CD1 3.68Å; L86-I136 HydrophobicContact CG-CD1 4.2Å; L86-F143 HydrophobicContact CD1-CE1 3.8Å; L86-F143 HydrophobicContact CD1-CE2 4.4Å; L86-F143 HydrophobicContact CD1-CZ 3.35Å; L86-Y148 HydrophobicContact CD1-CD2 4.04Å; L86-Y148 HydrophobicContact CD1-CE2 4.38Å |
| 87 | N | 95.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.7 | -17.1 | 175.2 | -166.7 | 59 | 0 | 0 | 0 | 112.3 | Y83 T85 Y89 G91 | Y83-N87 HydrophobicContact CD1-CB 4.15Å; Y83-N87 HydrophobicContact CE1-CB 3.9Å; Y83-N87 WeakPolarHBondContact O-CB 3.18Å; Y83-N87 PolarHBondContact O-N 2.87Å; T85-N87 VanDerWaalsContact C-N 3.28Å; T85-N87 PolarHBondContact O-N 3.47Å; N87-Y89 PolarHBondContact O-N 3.1Å; N87-G91 VanDerWaalsContact O-CA 3.27Å; N87-G91 WeakPolarHBondContact O-CA 3.28Å; N87-G91 PolarHBondContact O-N 3.39Å; N87-G91 PolarHBondContact OD1-N 2.91Å |
| 88 | L | 94.9 | Very high | 94.8 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.089 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.4 | -40.4 | 166.9 | -74.6 | 172.8 | 0 | 0 | 0 | 111.9 | Y23 S24 R26 T85 L86 A92 L134 | Y23-L88 HydrophobicContact CD1-CB 3.54Å; Y23-L88 HydrophobicContact CD1-CD1 4.04Å; Y23-L88 HydrophobicContact CD1-CG 4.37Å; Y23-L88 HydrophobicContact CE1-CB 3.56Å; S24-L88 WeakPolarHBondContact O-CD1 3.46Å; R26-L88 HydrophobicContact CG-CD1 4.46Å; T85-L88 VanDerWaalsContact O-CB 3.22Å; T85-L88 WeakPolarHBondContact O-CB 3.5Å; T85-L88 WeakPolarHBondContact O-CD1 3.46Å; T85-L88 WeakPolarHBondContact O-CG 3.13Å; T85-L88 PolarHBondContact O-N 3.26Å; L86-L88 PolarHBondContact O-N 2.88Å; L88-A92 VanDerWaalsContact O-CB 3.31Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; L88-L134 HydrophobicContact CD1-CD1 4.11Å |
| 89 | Y | 96.6 | Very high | 95.1 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 6% | 0.059 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -92.6 | -48.9 | 177.9 | 175.2 | -100.7 | 0 | 0 | 0 | 111.3 | Y23 L86 N87 G91 A92 K97 A102 F104 L126 F187 | Y23-Y89 WeakPolarHBondContact OH-CD2 3.4Å; L86-Y89 PolarHBondContact O-N 2.72Å; N87-Y89 PolarHBondContact O-N 3.1Å; Y89-G91 VanDerWaalsContact C-N 3.33Å; Y89-G91 PolarHBondContact O-N 3.27Å; Y89-A92 WeakPolarHBondContact O-CB 3.11Å; Y89-A92 PolarHBondContact O-N 3.09Å; Y89-K97 HydrophobicContact CD2-CG 4.31Å; Y89-K97 HydrophobicContact CE2-CB 4.09Å; Y89-K97 HydrophobicContact CE2-CG 4.03Å; Y89-K97 WeakPolarHBondContact O-CE 3.39Å; Y89-K97 WeakPolarHBondContact O-CG 3.21Å; Y89-A102 HydrophobicContact CD2-CB 4.43Å; Y89-A102 HydrophobicContact CE1-CB 4.34Å; Y89-A102 HydrophobicContact CE2-CB 3.81Å; Y89-F104 AromaticContact CD1-CZ 3.96Å; Y89-F104 HydrophobicContact CD1-CZ 3.96Å; Y89-F104 HydrophobicContact CE1-CE2 4.41Å; Y89-F104 AromaticContact CE1-CZ 3.83Å; Y89-F104 HydrophobicContact CE1-CZ 3.83Å; Y89-L126 HydrophobicContact CD1-CD2 4.1Å; Y89-L126 HydrophobicContact CD2-CD2 3.78Å; Y89-L126 HydrophobicContact CE2-CD2 4.41Å; Y89-L126 HydrophobicContact CG-CD1 4.42Å; Y89-L126 HydrophobicContact CG-CD2 3.61Å; Y89-F187 HydrophobicContact CE1-CE1 4.32Å; Y89-F187 WeakPolarHBondContact OH-CE1 3.25Å; Y89-F187 WeakPolarHBondContact OH-CZ 3.03Å |
| 90 | F | 96 | Very high | 95.5 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -33.1 | -174.6 | -66.9 | -53.8 | 0 | 0 | 0 | 113.3 | L86 K97 F104 P144 Y146 | L86-F90 HydrophobicContact CB-CD2 3.88Å; L86-F90 HydrophobicContact CB-CE2 3.93Å; L86-F90 HydrophobicContact CD1-CE2 4.42Å; L86-F90 WeakPolarHBondContact O-CD2 3.32Å; L86-F90 PolarHBondContact O-N 3.18Å; F90-K97 WeakPolarHBondContact O-CE 3.38Å; F90-K97 PolarHBondContact O-NZ 2.93Å; F90-F104 AromaticContact CE1-CE2 3.94Å; F90-F104 HydrophobicContact CE1-CE2 3.94Å; F90-F104 HydrophobicContact CE1-CZ 4.06Å; F90-F104 AromaticContact CZ-CE2 3.86Å; F90-F104 HydrophobicContact CZ-CE2 3.86Å; F90-F104 AromaticContact CZ-CZ 3.89Å; F90-F104 HydrophobicContact CZ-CZ 3.89Å; F90-P144 HydrophobicContact CE2-CB 4.08Å; F90-P144 HydrophobicContact CZ-CB 3.83Å; F90-P144 HydrophobicContact CZ-CG 4.04Å; F90-Y146 WeakPolarHBondContact CD1-O 3.41Å; F90-Y146 VanDerWaalsContact CE1-O 3.25Å; F90-Y146 WeakPolarHBondContact CE1-O 3.45Å |
| 91 | G | 94.1 | Very high | 95.7 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 53% | 0.526 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | N87 Y89 | N87-G91 VanDerWaalsContact O-CA 3.27Å; N87-G91 WeakPolarHBondContact O-CA 3.28Å; N87-G91 PolarHBondContact O-N 3.39Å; N87-G91 PolarHBondContact OD1-N 2.91Å; Y89-G91 VanDerWaalsContact C-N 3.33Å; Y89-G91 PolarHBondContact O-N 3.27Å |
| 92 | A | 94.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -68.5 | 159.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L88 Y89 E96 K97 | L88-A92 VanDerWaalsContact O-CB 3.31Å; L88-A92 WeakPolarHBondContact O-CB 3.37Å; Y89-A92 WeakPolarHBondContact O-CB 3.11Å; Y89-A92 PolarHBondContact O-N 3.09Å; A92-E96 HydrophobicContact CB-CB 3.94Å; A92-K97 HydrophobicContact CB-CG 4.14Å; A92-K97 WeakPolarHBondContact O-CE 3.23Å |
| 93 | S | 95.2 | Very high | 95.9 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 39% | 0.385 | 21% | 0.206 | S | C | . | . | trans | -63.2 | 155.6 | 173.1 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | K95 E96 K97 | S93-K95 PolarHBondContact O-N 3.43Å; S93-K95 VanDerWaalsContact O-N 3.14Å; S93-E96 VanDerWaalsContact CB-OE2 3.28Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å; S93-E96 PolarHBondContact N-OE2 3.47Å; S93-E96 PolarHBondContact O-N 3.12Å; S93-E96 VanDerWaalsContact OG-CD 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.2Å; S93-E96 PolarHBondContact OG-N 3.32Å; S93-E96 PolarHBondContact OG-OE2 2.83Å; S93-K97 PolarHBondContact O-N 3.28Å | ||
| 94 | E | 95.4 | Very high | 95.9 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.5 | -28.5 | 176.5 | -67.9 | -55.6 | 122.7 | 0 | 0 | 112.8 | K97 R98 | E94-K97 IonicContact OE1-NZ 3.79Å; E94-K97 PolarHBondContact OE1-NZ 3.4Å; E94-R98 VanDerWaalsContact O-CB 3.26Å; E94-R98 WeakPolarHBondContact O-CB 3.37Å; E94-R98 VanDerWaalsContact O-CG 3.22Å; E94-R98 WeakPolarHBondContact O-CG 3.28Å; E94-R98 PolarHBondContact O-N 2.98Å; E94-R98 PolarHBondContact O-NE 3.19Å |
| 95 | K | 94.6 | Very high | 95.9 | Very high | 144 Ų | 144 | 38.3 Ų | 38.3 | 63% | 0.626 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -68.4 | -43.9 | 174.1 | -175.7 | -177.9 | 176 | -173.7 | 0 | 111.3 | S93 N99 | S93-K95 PolarHBondContact O-N 3.43Å; S93-K95 VanDerWaalsContact O-N 3.14Å; K95-N99 WeakPolarHBondContact O-CB 3.28Å; K95-N99 PolarHBondContact O-N 3.21Å; K95-N99 PolarHBondContact O-ND2 3.38Å |
| 96 | E | 94 | Very high | 95.7 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69 | -45.8 | 178.5 | -72.5 | 158.4 | 150.1 | 0 | 0 | 111 | V21 A92 S93 R98 N99 S100 Y128 | V21-E96 WeakPolarHBondContact CG2-OE1 3.27Å; A92-E96 HydrophobicContact CB-CB 3.94Å; S93-E96 VanDerWaalsContact CB-OE2 3.28Å; S93-E96 WeakPolarHBondContact CB-OE2 3.18Å; S93-E96 PolarHBondContact N-OE2 3.47Å; S93-E96 PolarHBondContact O-N 3.12Å; S93-E96 VanDerWaalsContact OG-CD 3.25Å; S93-E96 WeakPolarHBondContact OG-CG 3.2Å; S93-E96 PolarHBondContact OG-N 3.32Å; S93-E96 PolarHBondContact OG-OE2 2.83Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.11Å; E96-N99 CarbonylContact O-C 3.56Å; E96-N99 PolarHBondContact O-N 2.1Å; E96-S100 WeakPolarHBondContact O-CB 3.41Å; E96-S100 PolarHBondContact O-N 3.26Å; E96-S100 PolarHBondContact O-OG 2.99Å; E96-Y128 HydrophobicContact CG-CE1 4.12Å |
| 97 | K | 95.4 | Very high | 95.4 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.8 | -48.3 | 174.9 | -73.3 | 177.2 | -179.4 | 165.5 | 0 | 111.6 | Y89 F90 A92 S93 E94 N99 S100 N189 | Y89-K97 HydrophobicContact CD2-CG 4.31Å; Y89-K97 HydrophobicContact CE2-CB 4.09Å; Y89-K97 HydrophobicContact CE2-CG 4.03Å; Y89-K97 WeakPolarHBondContact O-CE 3.39Å; Y89-K97 WeakPolarHBondContact O-CG 3.21Å; F90-K97 WeakPolarHBondContact O-CE 3.38Å; F90-K97 PolarHBondContact O-NZ 2.93Å; A92-K97 HydrophobicContact CB-CG 4.14Å; A92-K97 WeakPolarHBondContact O-CE 3.23Å; S93-K97 PolarHBondContact O-N 3.28Å; E94-K97 IonicContact OE1-NZ 3.79Å; E94-K97 PolarHBondContact OE1-NZ 3.4Å; K97-N99 PolarHBondContact O-N 3.12Å; K97-S100 PolarHBondContact O-N 2.91Å; K97-S100 VanDerWaalsContact O-N 3.15Å; K97-N189 PolarHBondContact O-ND2 3.12Å |
| 98 | R | 95.6 | Very high | 95.3 | Very high | 156 Ų | 156 | 36.4 Ų | 36.4 | 59% | 0.589 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -60.4 | -29.8 | 177.7 | -81.6 | -172.9 | -78 | -111.4 | 4.6 | 113.5 | E94 E96 N189 P191 | E94-R98 VanDerWaalsContact O-CB 3.26Å; E94-R98 WeakPolarHBondContact O-CB 3.37Å; E94-R98 VanDerWaalsContact O-CG 3.22Å; E94-R98 WeakPolarHBondContact O-CG 3.28Å; E94-R98 PolarHBondContact O-N 2.98Å; E94-R98 PolarHBondContact O-NE 3.19Å; E96-R98 VanDerWaalsContact C-N 3.33Å; E96-R98 PolarHBondContact O-N 3.11Å; R98-N189 PolarHBondContact O-ND2 2.94Å; R98-P191 WeakPolarHBondContact O-CG 3.42Å |
| 99 | N | 95.4 | Very high | 95.3 | Very high | 75 Ų | 75 | 35.7 Ų | 35.7 | 40% | 0.401 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -97.5 | -2.4 | -179.9 | -69.7 | -45.4 | 0 | 0 | 0 | 113.6 | K95 E96 K97 Y128 P191 | K95-N99 WeakPolarHBondContact O-CB 3.28Å; K95-N99 PolarHBondContact O-N 3.21Å; K95-N99 PolarHBondContact O-ND2 3.38Å; E96-N99 CarbonylContact O-C 3.56Å; E96-N99 PolarHBondContact O-N 2.1Å; K97-N99 PolarHBondContact O-N 3.12Å; N99-Y128 HydrophobicContact CB-CD2 4.12Å; N99-Y128 HydrophobicContact CB-CE2 3.57Å; N99-P191 VanDerWaalsContact C-CG 3.43Å; N99-P191 WeakPolarHBondContact O-CG 3.46Å |
| 100 | S | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -87.9 | 136.4 | 176.8 | -62.3 | 0 | 0 | 0 | 0 | 110.7 | Y23 E96 K97 A102 A127 N189 P191 | Y23-S100 WeakPolarHBondContact OH-CB 3.34Å; Y23-S100 PolarHBondContact OH-OG 2.8Å; E96-S100 WeakPolarHBondContact O-CB 3.41Å; E96-S100 PolarHBondContact O-N 3.26Å; E96-S100 PolarHBondContact O-OG 2.99Å; K97-S100 PolarHBondContact O-N 2.91Å; K97-S100 VanDerWaalsContact O-N 3.15Å; S100-A102 PolarHBondContact O-N 3.48Å; S100-A127 CarbonylContact C-O 3.17Å; S100-A127 WeakPolarHBondContact CA-O 3.01Å; S100-N189 PolarHBondContact O-ND2 3.43Å; S100-P191 WeakPolarHBondContact O-CD 3.4Å |
| 101 | L | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 128.8 | 157.7 | 178.1 | 61.1 | 0 | 0 | 0 | 108.2 | L103 I125 L126 A127 V171 N189 V190 W194 | L101-L103 HydrophobicContact CD1-CD1 4.25Å; L101-L103 HydrophobicContact CD1-CD2 4.26Å; L101-L103 HydrophobicContact CD1-CG 3.94Å; L101-L103 HydrophobicContact CG-CG 4.44Å; L101-I125 HydrophobicContact CD2-CG2 4.27Å; L101-L126 VanDerWaalsContact O-CA 3.31Å; L101-L126 WeakPolarHBondContact O-CA 3.4Å; L101-A127 HydrophobicContact CB-CB 4.03Å; L101-A127 HydrophobicContact CD2-CB 4.24Å; L101-A127 PolarHBondContact N-O 2.83Å; L101-A127 PolarHBondContact O-N 2.94Å; L101-V171 HydrophobicContact CD2-CG1 3.66Å; L101-N189 WeakPolarHBondContact CA-O 3.39Å; L101-V190 HydrophobicContact CD1-CB 4.41Å; L101-V190 HydrophobicContact CD1-CG1 4.2Å; L101-V190 HydrophobicContact CD1-CG2 3.91Å; L101-W194 HydrophobicContact CB-CB 4.25Å; L101-W194 HydrophobicContact CB-CD2 3.8Å; L101-W194 HydrophobicContact CB-CE3 4.46Å; L101-W194 HydrophobicContact CB-CG 3.68Å; L101-W194 HydrophobicContact CD1-CB 4.07Å; L101-W194 HydrophobicContact CD1-CG 4.41Å; L101-W194 HydrophobicContact CD2-CB 4.49Å; L101-W194 HydrophobicContact CD2-CD2 4.11Å; L101-W194 HydrophobicContact CD2-CE3 3.96Å; L101-W194 HydrophobicContact CD2-CG 4.36Å; L101-W194 HydrophobicContact CG-CG 4.37Å |
| 102 | A | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y89 S100 F104 I125 L126 F187 Q188 N189 | Y89-A102 HydrophobicContact CD2-CB 4.43Å; Y89-A102 HydrophobicContact CE1-CB 4.34Å; Y89-A102 HydrophobicContact CE2-CB 3.81Å; S100-A102 PolarHBondContact O-N 3.48Å; A102-F104 HydrophobicContact CB-CE1 4.21Å; A102-F104 HydrophobicContact CB-CZ 4.35Å; A102-I125 CarbonylContact C-O 3.53Å; A102-I125 WeakPolarHBondContact CA-O 3.36Å; A102-L126 HydrophobicContact CB-CD2 3.69Å; A102-F187 HydrophobicContact CB-CD1 4.45Å; A102-F187 HydrophobicContact CB-CE1 3.88Å; A102-Q188 CarbonylContact O-C 3.44Å; A102-Q188 VanDerWaalsContact O-CA 3.25Å; A102-Q188 WeakPolarHBondContact O-CA 3.45Å; A102-N189 HydrophobicContact CB-CB 4.2Å; A102-N189 PolarHBondContact N-O 2.95Å; A102-N189 PolarHBondContact O-N 2.74Å |
| 103 | L | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 113.8 | 174.1 | -59 | 174.1 | 0 | 0 | 0 | 108 | L101 I124 I125 T175 Q188 V190 L202 L203 | L101-L103 HydrophobicContact CD1-CD1 4.25Å; L101-L103 HydrophobicContact CD1-CD2 4.26Å; L101-L103 HydrophobicContact CD1-CG 3.94Å; L101-L103 HydrophobicContact CG-CG 4.44Å; L103-I124 CarbonylContact O-C 3.53Å; L103-I124 WeakPolarHBondContact O-CA 3.5Å; L103-I125 HydrophobicContact CB-CB 4.28Å; L103-I125 PolarHBondContact N-O 2.74Å; L103-I125 PolarHBondContact O-N 3.21Å; L103-T175 HydrophobicContact CD1-CG2 4.17Å; L103-Q188 HydrophobicContact CD2-CB 3.9Å; L103-V190 HydrophobicContact CD2-CG2 3.96Å; L103-L202 HydrophobicContact CD1-CD2 4.18Å; L103-L203 HydrophobicContact CD2-CD2 4.16Å |
| 104 | F | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.8 | 173.3 | -48.4 | -26 | 0 | 0 | 0 | 108.8 | Y89 F90 A102 I124 L126 P144 I185 F186 F187 | Y89-F104 AromaticContact CD1-CZ 3.96Å; Y89-F104 HydrophobicContact CD1-CZ 3.96Å; Y89-F104 HydrophobicContact CE1-CE2 4.41Å; Y89-F104 AromaticContact CE1-CZ 3.83Å; Y89-F104 HydrophobicContact CE1-CZ 3.83Å; F90-F104 AromaticContact CE1-CE2 3.94Å; F90-F104 HydrophobicContact CE1-CE2 3.94Å; F90-F104 HydrophobicContact CE1-CZ 4.06Å; F90-F104 AromaticContact CZ-CE2 3.86Å; F90-F104 HydrophobicContact CZ-CE2 3.86Å; F90-F104 AromaticContact CZ-CZ 3.89Å; F90-F104 HydrophobicContact CZ-CZ 3.89Å; A102-F104 HydrophobicContact CB-CE1 4.21Å; A102-F104 HydrophobicContact CB-CZ 4.35Å; F104-I124 HydrophobicContact CD1-CB 4.11Å; F104-I124 HydrophobicContact CD1-CG1 3.91Å; F104-I124 HydrophobicContact CD1-CG2 3.64Å; F104-I124 HydrophobicContact CE1-CB 4.48Å; F104-I124 HydrophobicContact CE1-CG1 4.45Å; F104-I124 HydrophobicContact CE1-CG2 3.56Å; F104-I124 HydrophobicContact CG-CG1 4.5Å; F104-L126 HydrophobicContact CE1-CD2 3.82Å; F104-L126 HydrophobicContact CE1-CG 4.49Å; F104-L126 HydrophobicContact CZ-CD2 4.28Å; F104-P144 HydrophobicContact CD2-CG 3.83Å; F104-P144 HydrophobicContact CE2-CG 4.12Å; F104-P144 HydrophobicContact CG-CG 4.09Å; F104-I185 WeakPolarHBondContact O-CA 3.49Å; F104-F186 HydrophobicContact CB-CD1 4.22Å; F104-F186 HydrophobicContact CB-CE1 3.51Å; F104-F186 HydrophobicContact CB-CE2 4.07Å; F104-F186 HydrophobicContact CB-CZ 3.43Å; F104-F186 VanDerWaalsContact CB-CZ 3.43Å; F104-F186 HydrophobicContact CD2-CE2 4.39Å; F104-F186 HydrophobicContact CD2-CZ 4.25Å; F104-F186 HydrophobicContact CG-CZ 4.3Å; F104-F186 VanDerWaalsContact O-CD1 3.3Å; F104-F186 WeakPolarHBondContact O-CD1 3.5Å; F104-F186 PolarHBondContact O-N 2.68Å; F104-F187 HydrophobicContact CB-CB 4.11Å; F104-F187 HydrophobicContact CD1-CD1 4.48Å; F104-F187 HydrophobicContact CD2-CB 3.75Å; F104-F187 AromaticContact CD2-CD1 3.33Å; F104-F187 HydrophobicContact CD2-CD1 3.33Å; F104-F187 HydrophobicContact CD2-CE1 4.19Å; F104-F187 AromaticContact CD2-CG 3.82Å; F104-F187 HydrophobicContact CD2-CG 3.82Å; F104-F187 HydrophobicContact CE1-CD1 4.5Å; F104-F187 AromaticContact CE2-CD1 3.38Å; F104-F187 HydrophobicContact CE2-CD1 3.38Å; F104-F187 AromaticContact CE2-CE1 3.76Å; F104-F187 HydrophobicContact CE2-CE1 3.76Å; F104-F187 HydrophobicContact CE2-CG 4.15Å; F104-F187 HydrophobicContact CG-CB 4.21Å; F104-F187 AromaticContact CG-CD1 3.91Å; F104-F187 HydrophobicContact CG-CD1 3.91Å; F104-F187 AromaticContact CZ-CD1 3.99Å; F104-F187 HydrophobicContact CZ-CD1 3.99Å; F104-F187 HydrophobicContact CZ-CE1 4.11Å; F104-F187 PolarHBondContact N-O 3.21Å; F104-F187 PolarHBondContact O-N 3.12Å |
| 105 | Y | 94.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142.6 | -178.7 | 61.4 | -88.7 | 0 | 0 | 0 | 111.1 | K122 G123 W135 L178 P183 V184 | Y105-K122 CarbonylContact O-C 3.57Å; Y105-K122 VanDerWaalsContact O-CA 3.24Å; Y105-K122 WeakPolarHBondContact O-CA 3.49Å; Y105-G123 VanDerWaalsContact CD1-O 3.29Å; Y105-G123 WeakPolarHBondContact CD1-O 3.35Å; Y105-G123 PolarHBondContact N-O 3.32Å; Y105-G123 PolarHBondContact O-N 2.86Å; Y105-W135 PolarHBondContact OH-NE1 3.13Å; Y105-L178 HydrophobicContact CD1-CD1 4.38Å; Y105-L178 HydrophobicContact CE1-CD1 3.79Å; Y105-L178 HydrophobicContact CE1-CD2 4.41Å; Y105-L178 HydrophobicContact CE2-CD2 4.22Å; Y105-P183 HydrophobicContact CD2-CB 3.52Å; Y105-P183 HydrophobicContact CD2-CG 4.19Å; Y105-P183 HydrophobicContact CE2-CB 4.29Å; Y105-P183 HydrophobicContact CG-CB 3.91Å; Y105-P183 HydrophobicContact CG-CG 4.28Å; Y105-V184 CarbonylContact C-O 3.54Å; Y105-V184 WeakPolarHBondContact CA-O 3.25Å; Y105-V184 WeakPolarHBondContact CB-O 3.4Å |
| 106 | S | 93.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 136.3 | -178.2 | -174 | 0 | 0 | 0 | 0 | 110.2 | F108 P109 G121 V184 | S106-F108 PolarHBondContact O-N 3.17Å; S106-F108 PolarHBondContact OG-N 3.13Å; S106-F108 PolarHBondContact OG-O 2.9Å; S106-P109 WeakPolarHBondContact O-CD 3.4Å; S106-G121 CarbonylContact C-O 3.41Å; S106-G121 WeakPolarHBondContact CA-O 3.19Å; S106-V184 PolarHBondContact N-O 3.23Å |
| 107 | D | 91 | Very high | 93.1 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -67 | -15.8 | 162.5 | 68.8 | -35.9 | 0 | 0 | 0 | 112.4 | K115 I116 Q119 G121 K122 | D107-K115 CarbonylContact O-C 3.59Å; D107-K115 WeakPolarHBondContact O-CA 3.47Å; D107-I116 WeakPolarHBondContact O-CB 3.41Å; D107-I116 WeakPolarHBondContact O-CG1 3.14Å; D107-I116 PolarHBondContact O-N 3.4Å; D107-Q119 HydrophobicContact CB-CB 3.88Å; D107-Q119 WeakPolarHBondContact CB-O 3.45Å; D107-G121 PolarHBondContact N-O 3.26Å; D107-G121 VanDerWaalsContact N-O 3.14Å; D107-K122 VanDerWaalsContact CG-NZ 3.35Å; D107-K122 WeakPolarHBondContact OD1-CE 3.15Å; D107-K122 VanDerWaalsContact OD1-CG 3.25Å; D107-K122 WeakPolarHBondContact OD1-CG 3.32Å; D107-K122 IonicContact OD1-NZ 2.67Å; D107-K122 PolarHBondContact OD1-NZ 2.76Å; D107-K122 IonicContact OD2-NZ 2.98Å; D107-K122 PolarHBondContact OD2-NZ 2.88Å |
| 108 | F | 93.2 | Very high | 92 | Very high | 17 Ų | 17 | 60 Ų | 60 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -135.9 | 69.5 | 177.1 | -156.1 | 179.8 | 0 | 0 | 0 | 111.2 | S106 F112 T114 K115 P141 R142 L153 | S106-F108 PolarHBondContact O-N 3.17Å; S106-F108 PolarHBondContact OG-N 3.13Å; S106-F108 PolarHBondContact OG-O 2.9Å; F108-F112 HydrophobicContact CD2-CB 3.95Å; F108-F112 HydrophobicContact CE2-CB 4.07Å; F108-F112 VanDerWaalsContact CE2-O 3.27Å; F108-F112 WeakPolarHBondContact CE2-O 3.43Å; F108-T114 VanDerWaalsContact CE2-C 3.42Å; F108-K115 HydrophobicContact CB-CG 4Å; F108-K115 HydrophobicContact CD1-CD 4.39Å; F108-K115 HydrophobicContact CD1-CG 3.49Å; F108-K115 VanDerWaalsContact CD1-CG 3.49Å; F108-K115 HydrophobicContact CE1-CG 4Å; F108-K115 HydrophobicContact CG-CG 3.82Å; F108-P141 HydrophobicContact CD1-CB 3.67Å; F108-P141 HydrophobicContact CE1-CB 4.23Å; F108-P141 HydrophobicContact CG-CB 4.37Å; F108-R142 HydrophobicContact CD2-CG 4.36Å; F108-R142 HydrophobicContact CE2-CG 4.4Å; F108-R142 VanDerWaalsContact O-CA 3.25Å; F108-R142 WeakPolarHBondContact O-CA 3.32Å; F108-R142 PolarHBondContact O-N 3.24Å; F108-L153 HydrophobicContact CD1-CD2 4.48Å; F108-L153 HydrophobicContact CE1-CD2 3.62Å; F108-L153 HydrophobicContact CZ-CD2 3.94Å |
| 109 | P | 95.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.013 | 25% | 0.25 | C | C | . | . | trans | -70.7 | 168.6 | -176.5 | 30.4 | -33.9 | 0 | 0 | 0 | 111.6 | S106 F112 F186 | S106-P109 WeakPolarHBondContact O-CD 3.4Å; P109-F112 HydrophobicContact CG-CB 4.35Å; P109-F112 HydrophobicContact CG-CD1 3.88Å; P109-F112 HydrophobicContact CG-CD2 3.54Å; P109-F112 HydrophobicContact CG-CE1 4Å; P109-F112 HydrophobicContact CG-CE2 3.65Å; P109-F112 HydrophobicContact CG-CG 3.65Å; P109-F112 HydrophobicContact CG-CZ 3.88Å; P109-F112 PolarHBondContact O-N 2.91Å; P109-F186 HydrophobicContact CB-CB 3.69Å; P109-F186 HydrophobicContact CB-CD1 3.63Å; P109-F186 HydrophobicContact CB-CD2 4Å; P109-F186 HydrophobicContact CB-CE1 4.21Å; P109-F186 HydrophobicContact CB-CG 3.5Å; P109-F186 VanDerWaalsContact CB-CG 3.5Å; P109-F186 HydrophobicContact CG-CB 4.22Å | ||
| 110 | P | 95.1 | Very high | 89.9 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.058 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | 148.5 | 174.4 | -24.6 | 32.2 | 0 | 0 | 0 | 112.6 | F112 P144 N145 F186 | P110-F112 PolarHBondContact O-N 3.12Å; P110-P144 WeakPolarHBondContact CG-O 3.15Å; P110-N145 HydrophobicContact CB-CB 4.18Å; P110-N145 HydrophobicContact CG-CB 4Å; P110-F186 HydrophobicContact CG-CE2 4.1Å; P110-F186 HydrophobicContact CG-CZ 4.46Å |
| 111 | Y | 92.4 | Very high | 89.2 | Confident | 170 Ų | 170 | 52.6 Ų | 52.6 | 67% | 0.667 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | -7.7 | 179.4 | -46.3 | -76.5 | 0 | 0 | 0 | 116.8 | N145 Y146 | Y111-N145 WeakPolarHBondContact CE2-OD1 2.95Å; Y111-N145 PolarHBondContact OH-ND2 2.95Å; Y111-N145 VanDerWaalsContact OH-ND2 3.15Å; Y111-N145 PolarHBondContact OH-OD1 2.84Å; Y111-Y146 HydrophobicContact CE2-CE2 4.1Å |
| 112 | F | 93.3 | Very high | 89 | Confident | 93 Ų | 93 | 53.2 Ų | 53.2 | 41% | 0.408 | 25% | 0.247 | S | C | . | . | trans | -70.8 | 143.1 | 174 | -84.5 | -134.4 | 0 | 0 | 0 | 110.6 | F108 P109 P110 I116 R142 | F108-F112 HydrophobicContact CD2-CB 3.95Å; F108-F112 HydrophobicContact CE2-CB 4.07Å; F108-F112 VanDerWaalsContact CE2-O 3.27Å; F108-F112 WeakPolarHBondContact CE2-O 3.43Å; P109-F112 HydrophobicContact CG-CB 4.35Å; P109-F112 HydrophobicContact CG-CD1 3.88Å; P109-F112 HydrophobicContact CG-CD2 3.54Å; P109-F112 HydrophobicContact CG-CE1 4Å; P109-F112 HydrophobicContact CG-CE2 3.65Å; P109-F112 HydrophobicContact CG-CG 3.65Å; P109-F112 HydrophobicContact CG-CZ 3.88Å; P109-F112 PolarHBondContact O-N 2.91Å; P110-F112 PolarHBondContact O-N 3.12Å; F112-I116 HydrophobicContact CD1-CD1 4.3Å; F112-I116 HydrophobicContact CD1-CG1 4.16Å; F112-I116 HydrophobicContact CE1-CD1 3.8Å; F112-I116 HydrophobicContact CE1-CG1 3.99Å; F112-R142 PolarHBondContact O-NE 3.3Å; F112-R142 VanDerWaalsContact O-NE 3.07Å; F112-R142 PolarHBondContact O-NH2 3.07Å | ||
| 113 | R | 91.3 | Very high | 88.9 | Confident | 229 Ų | 229 | 53.2 Ų | 53.2 | 86% | 0.864 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -79.7 | -36.1 | 177.5 | -66.9 | -174.6 | -177 | 177.2 | 1.1 | 112.4 | ||
| 114 | T | 89.9 | Confident | 88.9 | Confident | 100 Ų | 100 | 53.1 Ų | 53.1 | 61% | 0.613 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -138.2 | 159.9 | -177.2 | 61.2 | 0 | 0 | 0 | 0 | 111 | F108 | F108-T114 VanDerWaalsContact CE2-C 3.42Š|
| 115 | K | 87.4 | Confident | 88.9 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 35% | 0.352 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -60.8 | 147.7 | 170.5 | -60 | -173.4 | 176.6 | 177.6 | 0 | 110.5 | D107 F108 P117 D354 | D107-K115 CarbonylContact O-C 3.59Å; D107-K115 WeakPolarHBondContact O-CA 3.47Å; F108-K115 HydrophobicContact CB-CG 4Å; F108-K115 HydrophobicContact CD1-CD 4.39Å; F108-K115 HydrophobicContact CD1-CG 3.49Å; F108-K115 VanDerWaalsContact CD1-CG 3.49Å; F108-K115 HydrophobicContact CE1-CG 4Å; F108-K115 HydrophobicContact CG-CG 3.82Å; K115-P117 WeakPolarHBondContact O-CD 3.32Å; K115-D354 IonicContact NZ-OD1 2.63Å; K115-D354 IonicContact NZ-OD2 3.22Å; K115-D354 PolarHBondContact NZ-OD2 3.15Å |
| 116 | I | 85.9 | Confident | 89.1 | Confident | 39 Ų | 39 | 53.2 Ų | 53.2 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 122 | 173.5 | -63.8 | 170.9 | 0 | 0 | 0 | 107.6 | D107 F112 Q119 V184 | D107-I116 WeakPolarHBondContact O-CB 3.41Å; D107-I116 WeakPolarHBondContact O-CG1 3.14Å; D107-I116 PolarHBondContact O-N 3.4Å; F112-I116 HydrophobicContact CD1-CD1 4.3Å; F112-I116 HydrophobicContact CD1-CG1 4.16Å; F112-I116 HydrophobicContact CE1-CD1 3.8Å; F112-I116 HydrophobicContact CE1-CG1 3.99Å; I116-Q119 HydrophobicContact CG2-CB 4.32Å; I116-Q119 HydrophobicContact CG2-CG 4.05Å; I116-Q119 PolarHBondContact O-N 2.81Å; I116-V184 HydrophobicContact CD1-CB 3.83Å; I116-V184 HydrophobicContact CD1-CG1 3.62Å; I116-V184 HydrophobicContact CD1-CG2 3.61Å; I116-V184 HydrophobicContact CG2-CG2 4.27Å |
| 117 | P | 78.1 | Confident | 89.2 | Confident | 108 Ų | 108 | 53.2 Ų | 53.2 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 144.9 | -176.8 | -24.4 | 34 | 0 | 0 | 0 | 112.6 | K115 Q119 | K115-P117 WeakPolarHBondContact O-CD 3.32Å; P117-Q119 PolarHBondContact O-N 2.84Å |
| 118 | K | 72 | Confident | 89.4 | Confident | 175 Ų | 175 | 55.6 Ų | 55.6 | 76% | 0.761 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 16.6 | 176.1 | -50.1 | 177.2 | -179.3 | 176.9 | 0 | 114.5 | A235 | K118-A235 HydrophobicContact CB-CB 4.26Å; K118-A235 WeakPolarHBondContact O-CB 3.25Å |
| 119 | Q | 73.3 | Confident | 88.9 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 10% | 0.103 | 27% | 0.271 | C | S | . | . | trans | -127.9 | 137.3 | 173.3 | -62.8 | -63.1 | -9 | 0 | 0 | 108.1 | D107 I116 P117 Q181 D182 V184 | D107-Q119 HydrophobicContact CB-CB 3.88Å; D107-Q119 WeakPolarHBondContact CB-O 3.45Å; I116-Q119 HydrophobicContact CG2-CB 4.32Å; I116-Q119 HydrophobicContact CG2-CG 4.05Å; I116-Q119 PolarHBondContact O-N 2.81Å; P117-Q119 PolarHBondContact O-N 2.84Å; Q119-Q181 PolarHBondContact OE1-O 3.32Å; Q119-D182 VanDerWaalsContact CD-O 3.3Å; Q119-D182 PolarHBondContact NE2-O 3.38Å; Q119-D182 PolarHBondContact NE2-OD2 3.18Å; Q119-D182 PolarHBondContact OE1-O 3.34Å; Q119-D182 VanDerWaalsContact OE1-O 3.12Å; Q119-V184 HydrophobicContact CG-CG2 4.45Å | ||
| 120 | N | 75 | Confident | 88.6 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.273 | 29% | 0.289 | S | S | . | . | trans | -127.4 | -13.8 | 179.1 | -60.6 | -7 | 0 | 0 | 0 | 113 | K122 D372 | N120-K122 PolarHBondContact O-NZ 2.55Å; N120-D372 HydrophobicContact CB-CB 3.68Å; N120-D372 WeakPolarHBondContact CB-O 3.41Å; N120-D372 VanDerWaalsContact CG-O 3.3Å; N120-D372 PolarHBondContact ND2-O 3.28Å | ||
| 121 | G | 82.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | trans | -70.2 | 133.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | S106 D107 D372 | S106-G121 CarbonylContact C-O 3.41Å; S106-G121 WeakPolarHBondContact CA-O 3.19Å; D107-G121 PolarHBondContact N-O 3.26Å; D107-G121 VanDerWaalsContact N-O 3.14Å; G121-D372 VanDerWaalsContact CA-OD2 3.26Å; G121-D372 WeakPolarHBondContact CA-OD2 3.42Å; G121-D372 PolarHBondContact N-OD2 2.63Å; G121-D372 VanDerWaalsContact N-OD2 3.15Å | ||
| 122 | K | 92.5 | Very high | 88.6 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.057 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 144.9 | 169.5 | -39.2 | 174.4 | -179.8 | 48.1 | 0 | 111.2 | Y105 D107 N120 H138 S139 I140 | Y105-K122 CarbonylContact O-C 3.57Å; Y105-K122 VanDerWaalsContact O-CA 3.24Å; Y105-K122 WeakPolarHBondContact O-CA 3.49Å; D107-K122 VanDerWaalsContact CG-NZ 3.35Å; D107-K122 WeakPolarHBondContact OD1-CE 3.15Å; D107-K122 VanDerWaalsContact OD1-CG 3.25Å; D107-K122 WeakPolarHBondContact OD1-CG 3.32Å; D107-K122 IonicContact OD1-NZ 2.67Å; D107-K122 PolarHBondContact OD1-NZ 2.76Å; D107-K122 IonicContact OD2-NZ 2.98Å; D107-K122 PolarHBondContact OD2-NZ 2.88Å; N120-K122 PolarHBondContact O-NZ 2.55Å; K122-H138 VanDerWaalsContact CB-CE1 3.44Å; K122-H138 WeakPolarHBondContact CB-CE1 3.48Å; K122-H138 WeakPolarHBondContact CB-O 3.46Å; K122-H138 PolarHBondContact O-N 2.78Å; K122-S139 VanDerWaalsContact CE-O 3.3Å; K122-S139 WeakPolarHBondContact CE-O 3.24Å; K122-I140 WeakPolarHBondContact CD-O 2.99Å |
| 123 | G | 95.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y105 I136 | Y105-G123 VanDerWaalsContact CD1-O 3.29Å; Y105-G123 WeakPolarHBondContact CD1-O 3.35Å; Y105-G123 PolarHBondContact N-O 3.32Å; Y105-G123 PolarHBondContact O-N 2.86Å; G123-I136 CarbonylContact C-O 3.51Å; G123-I136 WeakPolarHBondContact CA-O 3.27Å |
| 124 | I | 98 | Very high | 89.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 132.4 | -172.5 | -62.5 | 164.9 | 0 | 0 | 0 | 107.6 | L86 L103 F104 L126 W135 I136 F143 P144 | L86-I124 HydrophobicContact CD1-CD1 4Å; L86-I124 HydrophobicContact CD2-CD1 3.6Å; L86-I124 HydrophobicContact CD2-CG2 4.13Å; L86-I124 HydrophobicContact CG-CD1 4.47Å; L103-I124 CarbonylContact O-C 3.53Å; L103-I124 WeakPolarHBondContact O-CA 3.5Å; F104-I124 HydrophobicContact CD1-CB 4.11Å; F104-I124 HydrophobicContact CD1-CG1 3.91Å; F104-I124 HydrophobicContact CD1-CG2 3.64Å; F104-I124 HydrophobicContact CE1-CB 4.48Å; F104-I124 HydrophobicContact CE1-CG1 4.45Å; F104-I124 HydrophobicContact CE1-CG2 3.56Å; F104-I124 HydrophobicContact CG-CG1 4.5Å; I124-L126 HydrophobicContact CG2-CD1 4.05Å; I124-L126 HydrophobicContact CG2-CD2 4.45Å; I124-L126 HydrophobicContact CG2-CG 3.81Å; I124-W135 WeakPolarHBondContact O-CA 3.31Å; I124-I136 HydrophobicContact CB-CB 4.23Å; I124-I136 PolarHBondContact N-O 2.98Å; I124-I136 PolarHBondContact O-N 3.32Å; I124-F143 HydrophobicContact CD1-CE1 4.04Å; I124-P144 HydrophobicContact CD1-CB 4.49Å; I124-P144 HydrophobicContact CD1-CG 3.77Å; I124-P144 HydrophobicContact CG1-CG 4.18Å |
| 125 | I | 98 | Very high | 89.4 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.5 | 166.5 | -62 | 172.8 | 0 | 0 | 0 | 108.4 | L101 A102 L103 L134 W135 V171 V174 T175 L178 | L101-I125 HydrophobicContact CD2-CG2 4.27Å; A102-I125 CarbonylContact C-O 3.53Å; A102-I125 WeakPolarHBondContact CA-O 3.36Å; L103-I125 HydrophobicContact CB-CB 4.28Å; L103-I125 PolarHBondContact N-O 2.74Å; L103-I125 PolarHBondContact O-N 3.21Å; I125-L134 CarbonylContact C-O 3.57Å; I125-L134 VanDerWaalsContact CA-O 3.27Å; I125-L134 WeakPolarHBondContact CA-O 3.34Å; I125-W135 HydrophobicContact CG1-CG 4.4Å; I125-V171 HydrophobicContact CG2-CG1 4.45Å; I125-V174 HydrophobicContact CD1-CG1 3.94Å; I125-T175 HydrophobicContact CD1-CG2 4.09Å; I125-L178 HydrophobicContact CD1-CD1 3.55Å |
| 126 | L | 98.1 | Very high | 89.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.6 | 174.4 | -60.5 | 165.8 | 0 | 0 | 0 | 110.1 | Y23 L86 Y89 L101 A102 F104 I124 A133 L134 | Y23-L126 HydrophobicContact CD1-CB 4.23Å; Y23-L126 HydrophobicContact CD2-CB 3.86Å; Y23-L126 HydrophobicContact CE1-CB 4.5Å; Y23-L126 HydrophobicContact CE2-CB 4.07Å; Y23-L126 HydrophobicContact CG-CB 3.95Å; L86-L126 HydrophobicContact CD2-CD1 4.2Å; Y89-L126 HydrophobicContact CD1-CD2 4.1Å; Y89-L126 HydrophobicContact CD2-CD2 3.78Å; Y89-L126 HydrophobicContact CE2-CD2 4.41Å; Y89-L126 HydrophobicContact CG-CD1 4.42Å; Y89-L126 HydrophobicContact CG-CD2 3.61Å; L101-L126 VanDerWaalsContact O-CA 3.31Å; L101-L126 WeakPolarHBondContact O-CA 3.4Å; A102-L126 HydrophobicContact CB-CD2 3.69Å; F104-L126 HydrophobicContact CE1-CD2 3.82Å; F104-L126 HydrophobicContact CE1-CG 4.49Å; F104-L126 HydrophobicContact CZ-CD2 4.28Å; I124-L126 HydrophobicContact CG2-CD1 4.05Å; I124-L126 HydrophobicContact CG2-CD2 4.45Å; I124-L126 HydrophobicContact CG2-CG 3.81Å; L126-A133 CarbonylContact O-C 3.58Å; L126-A133 WeakPolarHBondContact O-CA 3.34Å; L126-A133 WeakPolarHBondContact O-CB 3.36Å; L126-L134 HydrophobicContact CB-CB 4.08Å; L126-L134 HydrophobicContact CD1-CD1 4.11Å; L126-L134 PolarHBondContact N-O 2.82Å; L126-L134 PolarHBondContact O-N 3.05Å |
| 127 | A | 96.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | Y23 S100 L101 A133 V171 W194 | Y23-A127 VanDerWaalsContact CD2-CA 3.46Å; S100-A127 CarbonylContact C-O 3.17Å; S100-A127 WeakPolarHBondContact CA-O 3.01Å; L101-A127 HydrophobicContact CB-CB 4.03Å; L101-A127 HydrophobicContact CD2-CB 4.24Å; L101-A127 PolarHBondContact N-O 2.83Å; L101-A127 PolarHBondContact O-N 2.94Å; A127-A133 HydrophobicContact CB-CB 3.71Å; A127-V171 HydrophobicContact CB-CG2 4.29Å; A127-W194 HydrophobicContact CB-CH2 3.38Å; A127-W194 HydrophobicContact CB-CZ2 3.46Å; A127-W194 VanDerWaalsContact CB-CZ2 3.46Å; A127-W194 HydrophobicContact CB-CZ3 4Å |
| 128 | Y | 93.8 | Very high | 91 | Very high | 54 Ų | 54 | 28.3 Ų | 28.3 | 21% | 0.212 | 15% | 0.148 | C | C | . | . | trans | -151.4 | 79.3 | -179 | 177.4 | -111.5 | 0 | 0 | 0 | 111.3 | V21 Y23 E96 N99 | V21-Y128 HydrophobicContact CB-CD1 3.67Å; V21-Y128 HydrophobicContact CB-CE1 3.82Å; V21-Y128 HydrophobicContact CG1-CD1 4.21Å; V21-Y128 HydrophobicContact CG2-CE1 4.43Å; V21-Y128 WeakPolarHBondContact O-CD1 3.44Å; Y23-Y128 VanDerWaalsContact CD2-N 3.35Å; Y23-Y128 HydrophobicContact CE2-CG 4.4Å; E96-Y128 HydrophobicContact CG-CE1 4.12Å; N99-Y128 HydrophobicContact CB-CD2 4.12Å; N99-Y128 HydrophobicContact CB-CE2 3.57Å | ||
| 129 | G | 84.3 | Confident | 91.9 | Very high | 37 Ų | 37 | 20.1 Ų | 20.1 | 38% | 0.381 | 11% | 0.113 | S | C | . | . | S | Bend | trans | 51.1 | -158.9 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I168 | G129-I168 VanDerWaalsContact C-CD1 3.44Å; G129-I168 WeakPolarHBondContact O-CD1 3.25Å |
| 130 | G | 87.7 | Confident | 92.9 | Very high | 38 Ų | 38 | 19.1 Ų | 19.1 | 39% | 0.392 | 11% | 0.109 | S | C | . | . | S | Bend | trans | 72.2 | -156.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 131 | K | 91.8 | Very high | 93.7 | Very high | 159 Ų | 159 | 17 Ų | 17 | 69% | 0.691 | 10% | 0.097 | S | C | * | . | S | Bend | trans | -108.2 | -20.3 | -177.3 | -57.2 | 177.4 | 178.7 | 177 | 0 | 112.8 | E22 I168 I223 | E22-K131 VanDerWaalsContact OE1-CA 3.29Å; E22-K131 WeakPolarHBondContact OE1-CA 3.46Å; E22-K131 VanDerWaalsContact OE1-CB 3.25Å; E22-K131 WeakPolarHBondContact OE1-CB 3.23Å; E22-K131 PolarHBondContact OE1-N 3.31Å; K131-I168 WeakPolarHBondContact O-CB 3.09Å; K131-I168 PolarHBondContact O-N 2.76Å; K131-I223 HydrophobicContact CB-CD1 4.08Å |
| 132 | S | 95.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 161.4 | -179.2 | 70.8 | 0 | 0 | 0 | 0 | 114.6 | E22 Y23 S24 I166 | E22-S132 WeakPolarHBondContact CG-OG 3.33Å; E22-S132 PolarHBondContact OE1-N 3.19Å; E22-S132 PolarHBondContact OE1-OG 3.04Å; Y23-S132 PolarHBondContact O-OG 3.26Å; S24-S132 WeakPolarHBondContact OG-CB 3.23Å; S24-S132 PolarHBondContact OG-OG 3.34Å; S132-I166 CarbonylContact C-O 3.56Å; S132-I166 WeakPolarHBondContact CA-O 3.39Å |
| 133 | A | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 153.9 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y23 L126 A127 I166 V171 | Y23-A133 CarbonylContact O-C 3.57Å; Y23-A133 WeakPolarHBondContact O-CA 3.45Å; L126-A133 CarbonylContact O-C 3.58Å; L126-A133 WeakPolarHBondContact O-CA 3.34Å; L126-A133 WeakPolarHBondContact O-CB 3.36Å; A127-A133 HydrophobicContact CB-CB 3.71Å; A133-I166 HydrophobicContact CB-CG1 4.06Å; A133-I166 PolarHBondContact N-O 3.4Å; A133-I166 WeakPolarHBondContact O-CG1 3.22Å; A133-I166 PolarHBondContact O-N 2.96Å; A133-V171 HydrophobicContact CB-CG2 3.37Å |
| 134 | L | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 130.2 | 173.3 | -86.7 | 169.8 | 0 | 0 | 0 | 110.1 | Y23 C25 T85 L88 I125 L126 C163 | Y23-L134 HydrophobicContact CD1-CD1 4.14Å; Y23-L134 HydrophobicContact CG-CD1 4.37Å; Y23-L134 PolarHBondContact O-N 3Å; C25-L134 HydrophobicContact CB-CD2 4.39Å; C25-L134 VanDerWaalsContact N-CD2 3.25Å; T85-L134 HydrophobicContact CG2-CD1 3.57Å; T85-L134 HydrophobicContact CG2-CD2 3.58Å; T85-L134 HydrophobicContact CG2-CG 4.23Å; L88-L134 HydrophobicContact CD1-CD1 4.11Å; I125-L134 CarbonylContact C-O 3.57Å; I125-L134 VanDerWaalsContact CA-O 3.27Å; I125-L134 WeakPolarHBondContact CA-O 3.34Å; L126-L134 HydrophobicContact CB-CB 4.08Å; L126-L134 HydrophobicContact CD1-CD1 4.11Å; L126-L134 PolarHBondContact N-O 2.82Å; L126-L134 PolarHBondContact O-N 3.05Å; L134-C163 WeakPolarHBondContact CD2-SG 3.27Å |
| 135 | W | 97.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 22.5 Ų | 22.5 | 6% | 0.057 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.2 | 164.3 | -179.5 | 28 | 0 | 0 | 0 | 109.8 | Y105 I124 I125 V137 L164 I166 V174 V230 | Y105-W135 PolarHBondContact OH-NE1 3.13Å; I124-W135 WeakPolarHBondContact O-CA 3.31Å; I125-W135 HydrophobicContact CG1-CG 4.4Å; W135-V137 HydrophobicContact CZ2-CG2 3.9Å; W135-L164 HydrophobicContact CD2-CD1 4.29Å; W135-L164 HydrophobicContact CE3-CD1 3.65Å; W135-L164 HydrophobicContact CZ3-CD1 3.97Å; W135-L164 PolarHBondContact N-O 3.33Å; W135-L164 PolarHBondContact O-N 2.77Å; W135-I166 HydrophobicContact CB-CD1 4.15Å; W135-V174 HydrophobicContact CD2-CG1 3.56Å; W135-V174 HydrophobicContact CD2-CG2 4.34Å; W135-V174 HydrophobicContact CE3-CB 4.5Å; W135-V174 HydrophobicContact CE3-CG1 3.83Å; W135-V174 HydrophobicContact CE3-CG2 3.79Å; W135-V174 HydrophobicContact CG-CG1 4.03Å; W135-V174 HydrophobicContact CH2-CG1 4.17Å; W135-V174 HydrophobicContact CZ2-CG1 3.9Å; W135-V174 HydrophobicContact CZ3-CG1 4.12Å; W135-V174 HydrophobicContact CZ3-CG2 3.96Å; W135-V230 HydrophobicContact CH2-CG1 4Å; W135-V230 HydrophobicContact CH2-CG2 3.94Å; W135-V230 HydrophobicContact CZ3-CG2 4.1Å |
| 136 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131.1 | 178.1 | -59.5 | 167.6 | 0 | 0 | 0 | 108.6 | L82 T85 L86 G123 I124 V162 C163 | L82-I136 HydrophobicContact CD1-CD1 4.31Å; L82-I136 HydrophobicContact CD1-CG2 4.45Å; T85-I136 HydrophobicContact CG2-CD1 4.14Å; L86-I136 HydrophobicContact CD2-CD1 3.68Å; L86-I136 HydrophobicContact CG-CD1 4.2Å; G123-I136 CarbonylContact C-O 3.51Å; G123-I136 WeakPolarHBondContact CA-O 3.27Å; I124-I136 HydrophobicContact CB-CB 4.23Å; I124-I136 PolarHBondContact N-O 2.98Å; I124-I136 PolarHBondContact O-N 3.32Å; I136-V162 CarbonylContact C-O 3.6Å; I136-V162 VanDerWaalsContact CA-O 3.24Å; I136-V162 WeakPolarHBondContact CA-O 3.28Å; I136-C163 HydrophobicContact CG1-CB 4.1Å |
| 137 | V | 93.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 133.8 | 169.9 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | W135 A161 V162 Y370 | W135-V137 HydrophobicContact CZ2-CG2 3.9Å; V137-A161 CarbonylContact O-C 3.57Å; V137-A161 WeakPolarHBondContact O-CA 3.1Å; V137-V162 PolarHBondContact N-O 2.67Å; V137-V162 PolarHBondContact O-N 2.89Å; V137-Y370 HydrophobicContact CG1-CD1 3.83Å; V137-Y370 HydrophobicContact CG1-CE1 3.61Å |
| 138 | H | 93.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 168.2 | -175.6 | 67.9 | 84.5 | 0 | 0 | 0 | 113.9 | K122 I140 F143 M160 A161 Y370 | K122-H138 VanDerWaalsContact CB-CE1 3.44Å; K122-H138 WeakPolarHBondContact CB-CE1 3.48Å; K122-H138 WeakPolarHBondContact CB-O 3.46Å; K122-H138 PolarHBondContact O-N 2.78Å; H138-I140 HydrophobicContact CB-CD1 4.2Å; H138-I140 HydrophobicContact CB-CG1 4.28Å; H138-I140 PolarHBondContact CE1-O 2.92Å; H138-I140 PolarHBondContact ND1-N 3.3Å; H138-I140 VanDerWaalsContact ND1-N 3.16Å; H138-I140 PolarHBondContact ND1-O 2.69Å; H138-F143 AromaticContact CE1-CD1 3.79Å; H138-F143 PolarHBondContact CE1-O 2.87Å; H138-F143 AromaticContact NE2-CD1 3.82Å; H138-M160 CarbonylContact C-O 3.5Å; H138-M160 WeakPolarHBondContact CA-O 3.44Å; H138-M160 WeakPolarHBondContact CB-O 3.25Å; H138-A161 HydrophobicContact CB-CB 4.02Å; H138-Y370 VanDerWaalsContact C-OH 3.27Å; H138-Y370 PolarHBondContact O-OH 3.48Å |
| 139 | S | 90.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -102.1 | -11.1 | 173.4 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | K122 Q159 M160 Y370 | K122-S139 VanDerWaalsContact CE-O 3.3Å; K122-S139 WeakPolarHBondContact CE-O 3.24Å; S139-Q159 PolarHBondContact O-OE1 2.81Å; S139-Q159 VanDerWaalsContact O-OE1 3.12Å; S139-Q159 WeakPolarHBondContact OG-CA 3.47Å; S139-Q159 PolarHBondContact OG-OE1 2.98Å; S139-M160 PolarHBondContact N-O 3.01Å; S139-M160 PolarHBondContact OG-N 3.2Å; S139-Y370 WeakPolarHBondContact CA-OH 3.39Å; S139-Y370 VanDerWaalsContact CB-OH 3.25Å; S139-Y370 WeakPolarHBondContact CB-OH 3.47Å; S139-Y370 PolarHBondContact N-OH 3.29Å | ||
| 140 | I | 93.2 | Very high | 94 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | trans | -61.1 | 120.6 | -167.3 | -49.6 | 159.9 | 0 | 0 | 0 | 112 | L82 K122 H138 F143 W150 P151 A154 Q159 | L82-I140 HydrophobicContact CD2-CD1 3.86Å; K122-I140 WeakPolarHBondContact CD-O 2.99Å; H138-I140 HydrophobicContact CB-CD1 4.2Å; H138-I140 HydrophobicContact CB-CG1 4.28Å; H138-I140 PolarHBondContact CE1-O 2.92Å; H138-I140 PolarHBondContact ND1-N 3.3Å; H138-I140 VanDerWaalsContact ND1-N 3.16Å; H138-I140 PolarHBondContact ND1-O 2.69Å; I140-F143 HydrophobicContact CB-CB 3.86Å; I140-F143 HydrophobicContact CB-CD1 4.29Å; I140-F143 HydrophobicContact CB-CG 4.16Å; I140-F143 HydrophobicContact CD1-CD1 3.92Å; I140-F143 HydrophobicContact CD1-CE1 4.04Å; I140-F143 HydrophobicContact CD1-CG 4.25Å; I140-F143 HydrophobicContact CD1-CZ 4.46Å; I140-F143 HydrophobicContact CG2-CB 3.49Å; I140-F143 VanDerWaalsContact CG2-CB 3.49Å; I140-F143 HydrophobicContact CG2-CD2 4.37Å; I140-F143 HydrophobicContact CG2-CG 3.9Å; I140-W150 HydrophobicContact CD1-CH2 3.99Å; I140-W150 HydrophobicContact CD1-CZ3 3.63Å; I140-W150 HydrophobicContact CG1-CH2 3.86Å; I140-W150 HydrophobicContact CG1-CZ3 4.02Å; I140-W150 HydrophobicContact CG2-CH2 3.99Å; I140-W150 HydrophobicContact CG2-CZ2 4.46Å; I140-W150 HydrophobicContact CG2-CZ3 4.09Å; I140-P151 HydrophobicContact CG2-CG 3.6Å; I140-A154 HydrophobicContact CG2-CB 4.05Å; I140-Q159 HydrophobicContact CG1-CB 4.13Å | ||
| 141 | P | 93.1 | Very high | 94.3 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.032 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 144.6 | 176.9 | 30.6 | -36.4 | 0 | 0 | 0 | 111.7 | F108 F143 P151 L153 A154 | F108-P141 HydrophobicContact CD1-CB 3.67Å; F108-P141 HydrophobicContact CE1-CB 4.23Å; F108-P141 HydrophobicContact CG-CB 4.37Å; P141-F143 VanDerWaalsContact C-N 3.28Å; P141-F143 PolarHBondContact O-N 3.01Å; P141-P151 WeakPolarHBondContact O-CB 3.25Å; P141-P151 WeakPolarHBondContact O-CG 3.45Å; P141-L153 HydrophobicContact CB-CD2 4.14Å; P141-L153 HydrophobicContact CB-CG 4.49Å; P141-L153 HydrophobicContact CG-CB 4.36Å; P141-L153 HydrophobicContact CG-CD2 4.33Å; P141-L153 HydrophobicContact CG-CG 4.14Å; P141-A154 HydrophobicContact CG-CB 4.05Å |
| 142 | R | 94.9 | Very high | 94.3 | Very high | 90 Ų | 90 | 31.9 Ų | 31.9 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 35 | 177.9 | -59.8 | -178.3 | 172.3 | 168.4 | 2.1 | 114.3 | F108 F112 P151 | F108-R142 HydrophobicContact CD2-CG 4.36Å; F108-R142 HydrophobicContact CE2-CG 4.4Å; F108-R142 VanDerWaalsContact O-CA 3.25Å; F108-R142 WeakPolarHBondContact O-CA 3.32Å; F108-R142 PolarHBondContact O-N 3.24Å; F112-R142 PolarHBondContact O-NE 3.3Å; F112-R142 VanDerWaalsContact O-NE 3.07Å; F112-R142 PolarHBondContact O-NH2 3.07Å; R142-P151 HydrophobicContact CB-CB 4.32Å |
| 143 | F | 96 | Very high | 94.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | trans | -130.8 | 147.1 | -176.5 | -179.3 | -92.7 | 0 | 0 | 0 | 112 | L82 L86 I124 H138 I140 P141 Y148 P151 | L82-F143 HydrophobicContact CD2-CE1 4.15Å; L82-F143 HydrophobicContact CD2-CZ 3.75Å; L82-F143 HydrophobicContact CG-CZ 4.18Å; L86-F143 HydrophobicContact CD1-CE1 3.8Å; L86-F143 HydrophobicContact CD1-CE2 4.4Å; L86-F143 HydrophobicContact CD1-CZ 3.35Å; I124-F143 HydrophobicContact CD1-CE1 4.04Å; H138-F143 AromaticContact CE1-CD1 3.79Å; H138-F143 PolarHBondContact CE1-O 2.87Å; H138-F143 AromaticContact NE2-CD1 3.82Å; I140-F143 HydrophobicContact CB-CB 3.86Å; I140-F143 HydrophobicContact CB-CD1 4.29Å; I140-F143 HydrophobicContact CB-CG 4.16Å; I140-F143 HydrophobicContact CD1-CD1 3.92Å; I140-F143 HydrophobicContact CD1-CE1 4.04Å; I140-F143 HydrophobicContact CD1-CG 4.25Å; I140-F143 HydrophobicContact CD1-CZ 4.46Å; I140-F143 HydrophobicContact CG2-CB 3.49Å; I140-F143 VanDerWaalsContact CG2-CB 3.49Å; I140-F143 HydrophobicContact CG2-CD2 4.37Å; I140-F143 HydrophobicContact CG2-CG 3.9Å; P141-F143 VanDerWaalsContact C-N 3.28Å; P141-F143 PolarHBondContact O-N 3.01Å; F143-Y148 HydrophobicContact CE2-CD2 4.04Å; F143-Y148 AromaticContact CE2-CE2 3.82Å; F143-Y148 HydrophobicContact CE2-CE2 3.82Å; F143-Y148 HydrophobicContact CZ-CD2 4.14Å; F143-Y148 AromaticContact CZ-CE2 3.87Å; F143-Y148 HydrophobicContact CZ-CE2 3.87Å; F143-P151 HydrophobicContact CB-CG 4.32Å | ||
| 144 | P | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | cis | -76.5 | 160.6 | -15.2 | 33.1 | -36.3 | 0 | 0 | 0 | 111.3 | F90 F104 P110 I124 | F90-P144 HydrophobicContact CE2-CB 4.08Å; F90-P144 HydrophobicContact CZ-CB 3.83Å; F90-P144 HydrophobicContact CZ-CG 4.04Å; F104-P144 HydrophobicContact CD2-CG 3.83Å; F104-P144 HydrophobicContact CE2-CG 4.12Å; F104-P144 HydrophobicContact CG-CG 4.09Å; P110-P144 WeakPolarHBondContact CG-O 3.15Å; I124-P144 HydrophobicContact CD1-CB 4.49Å; I124-P144 HydrophobicContact CD1-CG 3.77Å; I124-P144 HydrophobicContact CG1-CG 4.18Å | ||
| 145 | N | 93.7 | Very high | 93.5 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 23% | 0.225 | 18% | 0.183 | C | C | . | . | trans | -107.4 | 61.5 | 179.8 | -174.1 | 20.1 | 0 | 0 | 0 | 112.2 | P110 Y111 Q147 | P110-N145 HydrophobicContact CB-CB 4.18Å; P110-N145 HydrophobicContact CG-CB 4Å; Y111-N145 WeakPolarHBondContact CE2-OD1 2.95Å; Y111-N145 PolarHBondContact OH-ND2 2.95Å; Y111-N145 VanDerWaalsContact OH-ND2 3.15Å; Y111-N145 PolarHBondContact OH-OD1 2.84Å; N145-Q147 PolarHBondContact N-O 3.4Å; N145-Q147 PolarHBondContact O-N 3Å | ||
| 146 | Y | 87.6 | Confident | 93.1 | Very high | 120 Ų | 120 | 40.2 Ų | 40.2 | 47% | 0.471 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 57.2 | -3.2 | -178.1 | -52 | -72.1 | 0 | 0 | 0 | 116.6 | F90 Y111 F187 | F90-Y146 WeakPolarHBondContact CD1-O 3.41Å; F90-Y146 VanDerWaalsContact CE1-O 3.25Å; F90-Y146 WeakPolarHBondContact CE1-O 3.45Å; Y111-Y146 HydrophobicContact CE2-CE2 4.1Å; Y146-F187 AromaticContact CD1-CD2 4Å; Y146-F187 HydrophobicContact CD1-CD2 4Å; Y146-F187 HydrophobicContact CD1-CE2 4.29Å; Y146-F187 HydrophobicContact CD1-CG 4.48Å; Y146-F187 HydrophobicContact CE1-CB 4.18Å; Y146-F187 AromaticContact CE1-CD2 3.57Å; Y146-F187 HydrophobicContact CE1-CD2 3.57Å; Y146-F187 HydrophobicContact CE1-CE2 4.23Å; Y146-F187 HydrophobicContact CE1-CG 4.1Å |
| 147 | Q | 92.9 | Very high | 92.6 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 57% | 0.57 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -149.9 | 169 | 169.1 | 63.8 | -177 | 22.1 | 0 | 0 | 107.2 | N145 S149 | N145-Q147 PolarHBondContact N-O 3.4Å; N145-Q147 PolarHBondContact O-N 3Å; Q147-S149 PolarHBondContact O-N 2.89Å |
| 148 | Y | 94.5 | Very high | 92.3 | Very high | 25 Ų | 25 | 41.3 Ų | 41.3 | 10% | 0.098 | 21% | 0.208 | C | C | . | . | trans | -70 | 116.2 | 167.6 | -168.3 | -85.1 | 0 | 0 | 0 | 109.9 | I75 Q80 L82 Y83 L86 F143 | I75-Y148 WeakPolarHBondContact O-CE1 3.36Å; I75-Y148 PolarHBondContact O-OH 3.19Å; Q80-Y148 PolarHBondContact NE2-OH 2.69Å; L82-Y148 HydrophobicContact CB-CE2 4.15Å; L82-Y148 HydrophobicContact CD2-CE2 4.04Å; L82-Y148 HydrophobicContact CG-CE2 3.88Å; Y83-Y148 AromaticContact CD2-CD1 3.51Å; Y83-Y148 HydrophobicContact CD2-CD1 3.51Å; Y83-Y148 HydrophobicContact CD2-CD2 4.26Å; Y83-Y148 HydrophobicContact CD2-CE1 4.29Å; Y83-Y148 AromaticContact CD2-CG 3.48Å; Y83-Y148 HydrophobicContact CD2-CG 3.48Å; Y83-Y148 VanDerWaalsContact CD2-CG 3.48Å; Y83-Y148 HydrophobicContact CE2-CD1 4.4Å; Y83-Y148 HydrophobicContact CE2-CG 4.34Å; Y83-Y148 HydrophobicContact CG-CD1 4.34Å; Y83-Y148 HydrophobicContact CG-CG 4.23Å; L86-Y148 HydrophobicContact CD1-CD2 4.04Å; L86-Y148 HydrophobicContact CD1-CE2 4.38Å; F143-Y148 HydrophobicContact CE2-CD2 4.04Å; F143-Y148 AromaticContact CE2-CE2 3.82Å; F143-Y148 HydrophobicContact CE2-CE2 3.82Å; F143-Y148 HydrophobicContact CZ-CD2 4.14Å; F143-Y148 AromaticContact CZ-CE2 3.87Å; F143-Y148 HydrophobicContact CZ-CE2 3.87Å | ||
| 149 | S | 94 | Very high | 92.2 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | trans | -148.8 | 122.6 | 171.6 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | Q147 | Q147-S149 PolarHBondContact O-N 2.89Š| ||
| 150 | W | 95 | Very high | 92.2 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | trans | -72.2 | 125.9 | 176.7 | -172.5 | -101.6 | 0 | 0 | 0 | 110.2 | K41 I75 D76 I140 A154 N155 Q159 | K41-W150 HydrophobicContact CD-CH2 3.79Å; K41-W150 HydrophobicContact CD-CZ2 3.24Å; K41-W150 HydrophobicContact CG-CZ2 4.49Å; I75-W150 HydrophobicContact CB-CD2 4.44Å; I75-W150 HydrophobicContact CB-CE3 4.27Å; I75-W150 HydrophobicContact CB-CZ3 4.39Å; I75-W150 HydrophobicContact CD1-CZ3 4.32Å; I75-W150 HydrophobicContact CG1-CD2 4.11Å; I75-W150 HydrophobicContact CG1-CE3 3.48Å; I75-W150 VanDerWaalsContact CG1-CE3 3.48Å; I75-W150 HydrophobicContact CG1-CH2 3.89Å; I75-W150 HydrophobicContact CG1-CZ2 4.5Å; I75-W150 HydrophobicContact CG1-CZ3 3.32Å; I75-W150 HydrophobicContact CG2-CD2 3.53Å; I75-W150 HydrophobicContact CG2-CE3 3.84Å; I75-W150 HydrophobicContact CG2-CG 3.98Å; I75-W150 HydrophobicContact CG2-CH2 4.23Å; I75-W150 HydrophobicContact CG2-CZ2 4Å; I75-W150 HydrophobicContact CG2-CZ3 4.15Å; D76-W150 HydrophobicContact CB-CB 3.84Å; D76-W150 HydrophobicContact CB-CG 4.27Å; I140-W150 HydrophobicContact CD1-CH2 3.99Å; I140-W150 HydrophobicContact CD1-CZ3 3.63Å; I140-W150 HydrophobicContact CG1-CH2 3.86Å; I140-W150 HydrophobicContact CG1-CZ3 4.02Å; I140-W150 HydrophobicContact CG2-CH2 3.99Å; I140-W150 HydrophobicContact CG2-CZ2 4.46Å; I140-W150 HydrophobicContact CG2-CZ3 4.09Å; W150-A154 HydrophobicContact CH2-CB 4.29Å; W150-A154 HydrophobicContact CZ2-CB 3.45Å; W150-A154 VanDerWaalsContact CZ2-CB 3.45Å; W150-N155 PolarHBondContact NE1-OD1 3.26Å; W150-Q159 HydrophobicContact CH2-CB 4.14Å; W150-Q159 HydrophobicContact CH2-CG 4.22Å; W150-Q159 HydrophobicContact CZ2-CG 4.21Å | ||
| 151 | P | 94.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | trans | -83.3 | 125.7 | -176 | 27 | -25.7 | 0 | 0 | 0 | 111 | I140 P141 R142 F143 L153 A154 | I140-P151 HydrophobicContact CG2-CG 3.6Å; P141-P151 WeakPolarHBondContact O-CB 3.25Å; P141-P151 WeakPolarHBondContact O-CG 3.45Å; R142-P151 HydrophobicContact CB-CB 4.32Å; F143-P151 HydrophobicContact CB-CG 4.32Å; P151-L153 PolarHBondContact O-N 3.21Å; P151-A154 HydrophobicContact CG-CB 3.92Å; P151-A154 VanDerWaalsContact O-CB 3.24Å; P151-A154 WeakPolarHBondContact O-CB 3.46Å; P151-A154 PolarHBondContact O-N 3.37Å | ||
| 152 | N | 92.3 | Very high | 92.2 | Very high | 135 Ų | 135 | 41.8 Ų | 41.8 | 72% | 0.722 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -52.4 | -30 | 178.7 | -68.1 | -12.4 | 0 | 0 | 0 | 114 | A154 N155 | N152-A154 PolarHBondContact O-N 3.06Å; N152-N155 WeakPolarHBondContact O-CB 3.34Å; N152-N155 PolarHBondContact O-N 3.29Å; N152-N155 VanDerWaalsContact O-N 3.13Å |
| 153 | L | 91.4 | Very high | 92.3 | Very high | 79 Ų | 79 | 37.5 Ų | 37.5 | 41% | 0.414 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -62.6 | -21.8 | 176.7 | -173.8 | 59.7 | 0 | 0 | 0 | 112.9 | F108 P141 P151 | F108-L153 HydrophobicContact CD1-CD2 4.48Å; F108-L153 HydrophobicContact CE1-CD2 3.62Å; F108-L153 HydrophobicContact CZ-CD2 3.94Å; P141-L153 HydrophobicContact CB-CD2 4.14Å; P141-L153 HydrophobicContact CB-CG 4.49Å; P141-L153 HydrophobicContact CG-CB 4.36Å; P141-L153 HydrophobicContact CG-CD2 4.33Å; P141-L153 HydrophobicContact CG-CG 4.14Å; P151-L153 PolarHBondContact O-N 3.21Å |
| 154 | A | 92.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -88.2 | -11 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K41 I140 P141 W150 P151 N152 Q159 | K41-A154 WeakPolarHBondContact CE-O 3.18Å; K41-A154 PolarHBondContact NZ-O 3.22Å; I140-A154 HydrophobicContact CG2-CB 4.05Å; P141-A154 HydrophobicContact CG-CB 4.05Å; W150-A154 HydrophobicContact CH2-CB 4.29Å; W150-A154 HydrophobicContact CZ2-CB 3.45Å; W150-A154 VanDerWaalsContact CZ2-CB 3.45Å; P151-A154 HydrophobicContact CG-CB 3.92Å; P151-A154 VanDerWaalsContact O-CB 3.24Å; P151-A154 WeakPolarHBondContact O-CB 3.46Å; P151-A154 PolarHBondContact O-N 3.37Å; N152-A154 PolarHBondContact O-N 3.06Å; A154-Q159 HydrophobicContact CB-CG 4.02Å |
| 155 | N | 90.6 | Very high | 92.5 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 20% | 0.203 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -66 | -46.5 | -175.1 | -65.4 | 13.6 | 0 | 0 | 0 | 113.5 | K41 W150 N152 D157 | K41-N155 PolarHBondContact NZ-O 3.06Å; W150-N155 PolarHBondContact NE1-OD1 3.26Å; N152-N155 WeakPolarHBondContact O-CB 3.34Å; N152-N155 PolarHBondContact O-N 3.29Å; N152-N155 VanDerWaalsContact O-N 3.13Å; N155-D157 VanDerWaalsContact C-N 3.31Å; N155-D157 PolarHBondContact O-N 3.13Å |
| 156 | P | 89.1 | Confident | 92.6 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 47% | 0.468 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -63.2 | -40.5 | -176.1 | -22.4 | 34.9 | 0 | 0 | 0 | 112.2 | P43 K44 | P43-P156 WeakPolarHBondContact CA-O 3.22Å; P43-P156 WeakPolarHBondContact CB-O 3.26Å; K44-P156 PolarHBondContact N-O 2.85Å |
| 157 | D | 86.8 | Confident | 93 | Very high | 48 Ų | 48 | 32.5 Ų | 32.5 | 26% | 0.257 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -94.5 | 155.1 | -171.5 | -64 | -19.2 | 0 | 0 | 0 | 111.9 | K41 N155 N353 | K41-D157 WeakPolarHBondContact CE-O 3.18Å; K41-D157 PolarHBondContact NZ-O 3.22Å; N155-D157 VanDerWaalsContact C-N 3.31Å; N155-D157 PolarHBondContact O-N 3.13Å; D157-N353 HydrophobicContact CB-CB 4.14Å; D157-N353 PolarHBondContact OD1-OD1 2.93Å |
| 158 | A | 87.5 | Confident | 93.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -67.6 | 146.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y40 K41 P43 N353 G355 | Y40-A158 HydrophobicContact CE1-CB 4.1Å; Y40-A158 HydrophobicContact CE2-CB 4.32Å; Y40-A158 WeakPolarHBondContact OH-CB 3.49Å; K41-A158 CarbonylContact O-C 3.55Å; K41-A158 WeakPolarHBondContact O-CA 3.44Å; K41-A158 WeakPolarHBondContact O-CB 3.38Å; P43-A158 HydrophobicContact CB-CB 4.41Å; P43-A158 HydrophobicContact CG-CB 4.45Å; A158-N353 HydrophobicContact CB-CB 4Å; A158-N353 PolarHBondContact N-ND2 3.3Å; A158-G355 WeakPolarHBondContact O-CA 3.3Å; A158-G355 PolarHBondContact O-N 2.77Å | ||
| 159 | Q | 91.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.6 | 179.1 | -59.1 | -61.3 | -34.6 | 0 | 0 | 111.3 | Y40 K41 S139 I140 W150 A154 | Y40-Q159 CarbonylContact C-O 3.51Å; Y40-Q159 WeakPolarHBondContact CA-O 3.47Å; K41-Q159 HydrophobicContact CB-CB 4.26Å; K41-Q159 PolarHBondContact N-O 2.97Å; K41-Q159 PolarHBondContact O-N 3.03Å; S139-Q159 PolarHBondContact O-OE1 2.81Å; S139-Q159 VanDerWaalsContact O-OE1 3.12Å; S139-Q159 WeakPolarHBondContact OG-CA 3.47Å; S139-Q159 PolarHBondContact OG-OE1 2.98Å; I140-Q159 HydrophobicContact CG1-CB 4.13Å; W150-Q159 HydrophobicContact CH2-CB 4.14Å; W150-Q159 HydrophobicContact CH2-CG 4.22Å; W150-Q159 HydrophobicContact CZ2-CG 4.21Å; A154-Q159 HydrophobicContact CB-CG 4.02Å |
| 160 | M | 90 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 147 | 178.6 | -174.2 | 170.6 | -75.8 | 0 | 0 | 111.2 | I38 L39 Y40 H138 S139 W358 W368 Y370 | I38-M160 HydrophobicContact CG2-CG 4.48Å; I38-M160 HydrophobicContact CG2-SD 4.43Å; L39-M160 VanDerWaalsContact O-CA 3.29Å; L39-M160 WeakPolarHBondContact O-CA 3.18Å; L39-M160 WeakPolarHBondContact O-CG 3.48Å; Y40-M160 HydrophobicContact CD2-CB 4.13Å; Y40-M160 HydrophobicContact CD2-CE 3.33Å; Y40-M160 HydrophobicContact CD2-CG 4.48Å; Y40-M160 HydrophobicContact CE2-CE 3.81Å; Y40-M160 HydrophobicContact CG-CE 4.33Å; H138-M160 CarbonylContact C-O 3.5Å; H138-M160 WeakPolarHBondContact CA-O 3.44Å; H138-M160 WeakPolarHBondContact CB-O 3.25Å; S139-M160 PolarHBondContact N-O 3.01Å; S139-M160 PolarHBondContact OG-N 3.2Å; M160-W358 HydrophobicContact CE-CD2 4.37Å; M160-W358 HydrophobicContact CE-CH2 4.48Å; M160-W358 HydrophobicContact CE-CZ2 3.43Å; M160-W358 VanDerWaalsContact CE-CZ2 3.43Å; M160-W368 HydrophobicContact CE-CH2 4.1Å; M160-W368 HydrophobicContact CE-CZ2 3.67Å; M160-W368 HydrophobicContact SD-CH2 3.39Å; M160-W368 WeakPolarHBondContact SD-CH2 3.43Å; M160-W368 HydrophobicContact SD-CZ2 3.53Å; M160-W368 VanDerWaalsContact SD-CZ2 3.53Å; M160-Y370 HydrophobicContact CB-CD2 4.36Å; M160-Y370 HydrophobicContact CB-CE2 4.11Å; M160-Y370 HydrophobicContact CG-CD2 4.19Å; M160-Y370 HydrophobicContact CG-CE2 4.4Å; M160-Y370 HydrophobicContact SD-CD2 3.4Å; M160-Y370 WeakPolarHBondContact SD-CD2 3.34Å; M160-Y370 HydrophobicContact SD-CE2 4.09Å; M160-Y370 HydrophobicContact SD-CG 4.06Å |
| 161 | A | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 131.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | L39 L82 V137 H138 | L39-A161 PolarHBondContact N-O 3.26Å; L39-A161 PolarHBondContact O-N 3.23Å; L82-A161 HydrophobicContact CD1-CB 4.26Å; L82-A161 HydrophobicContact CD2-CB 4.47Å; V137-A161 CarbonylContact O-C 3.57Å; V137-A161 WeakPolarHBondContact O-CA 3.1Å; H138-A161 HydrophobicContact CB-CB 4.02Å |
| 162 | V | 93.8 | Very high | 93.1 | Very high | 19 Ų | 19 | 31 Ų | 31 | 12% | 0.115 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.9 | 170.7 | -177.4 | 0 | 0 | 0 | 0 | 106.8 | I38 I136 V137 L164 W368 | I38-V162 HydrophobicContact CG1-CG1 4.32Å; I38-V162 HydrophobicContact CG1-CG2 4.33Å; I38-V162 HydrophobicContact CG2-CG2 4.39Å; I136-V162 CarbonylContact C-O 3.6Å; I136-V162 VanDerWaalsContact CA-O 3.24Å; I136-V162 WeakPolarHBondContact CA-O 3.28Å; V137-V162 PolarHBondContact N-O 2.67Å; V137-V162 PolarHBondContact O-N 2.89Å; V162-L164 HydrophobicContact CG1-CD2 4.15Å; V162-L164 HydrophobicContact CG1-CG 4.21Å; V162-W368 HydrophobicContact CG2-CH2 3.86Å; V162-W368 HydrophobicContact CG2-CZ3 3.83Å |
| 163 | C | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.4 | 174.3 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | C25 W36 F37 L134 I136 | C25-C163 VanDerWaalsContact CA-SG 3.56Å; C25-C163 HydrophobicContact CB-CB 4.08Å; C25-C163 WeakPolarHBondContact CB-SG 3.26Å; C25-C163 WeakPolarHBondContact SG-CB 3.2Å; C25-C163 PolarHBondContact SG-O 3.24Å; C25-C163 CovalentContact SG-SG 2.04Å; C25-C163 PolarHBondContact SG-SG 3.48Å; W36-C163 CarbonylContact C-O 3.56Å; W36-C163 WeakPolarHBondContact CA-O 3.16Å; W36-C163 WeakPolarHBondContact CB-O 3.45Å; F37-C163 HydrophobicContact CD1-CB 3.66Å; F37-C163 HydrophobicContact CD2-CB 3.9Å; F37-C163 HydrophobicContact CE1-CB 3.31Å; F37-C163 VanDerWaalsContact CE1-SG 3.57Å; F37-C163 HydrophobicContact CE2-CB 3.57Å; F37-C163 HydrophobicContact CG-CB 3.94Å; F37-C163 HydrophobicContact CZ-CB 3.26Å; F37-C163 PolarHBondContact N-O 3.02Å; F37-C163 PolarHBondContact O-N 3.25Å; L134-C163 WeakPolarHBondContact CD2-SG 3.27Å; I136-C163 HydrophobicContact CG1-CB 4.1Å |
| 164 | L | 96.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 23.6 Ų | 23.6 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 123.8 | 177.7 | -56.9 | 167.7 | 0 | 0 | 0 | 109.6 | C25 W36 W135 V162 I166 T222 L228 | C25-L164 PolarHBondContact SG-N 2.87Å; W36-L164 HydrophobicContact CB-CD2 3.87Å; W135-L164 HydrophobicContact CD2-CD1 4.29Å; W135-L164 HydrophobicContact CE3-CD1 3.65Å; W135-L164 HydrophobicContact CZ3-CD1 3.97Å; W135-L164 PolarHBondContact N-O 3.33Å; W135-L164 PolarHBondContact O-N 2.77Å; V162-L164 HydrophobicContact CG1-CD2 4.15Å; V162-L164 HydrophobicContact CG1-CG 4.21Å; L164-I166 HydrophobicContact CB-CG2 3.99Å; L164-I166 PolarHBondContact O-N 3.15Å; L164-T222 HydrophobicContact CD2-CG2 4.07Å; L164-L228 HydrophobicContact CD1-CD1 3.84Å; L164-L228 HydrophobicContact CD2-CD1 4.44Å; L164-L228 HydrophobicContact CD2-CD2 4.06Å |
| 165 | S | 97.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 103.9 | 163.6 | -60.5 | 0 | 0 | 0 | 0 | 107.4 | S24 C25 L34 D35 T222 I223 | S24-S165 WeakPolarHBondContact CA-OG 3.28Å; S24-S165 WeakPolarHBondContact CB-OG 3.06Å; C25-S165 PolarHBondContact N-OG 3.21Å; C25-S165 PolarHBondContact SG-N 3.07Å; L34-S165 PolarHBondContact O-OG 3.14Å; D35-S165 VanDerWaalsContact O-CB 3.28Å; D35-S165 WeakPolarHBondContact O-CB 3.44Å; D35-S165 PolarHBondContact O-N 3.22Å; S165-T222 CarbonylContact O-C 3.56Å; S165-T222 VanDerWaalsContact O-CA 3.28Å; S165-T222 WeakPolarHBondContact O-CA 3.45Å; S165-T222 WeakPolarHBondContact O-CB 3.19Å; S165-I223 PolarHBondContact O-N 3.49Å |
| 166 | I | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 153.3 | -179.1 | 62 | 172.8 | 0 | 0 | 0 | 110.4 | S132 A133 W135 L164 I168 V171 V174 L228 | S132-I166 CarbonylContact C-O 3.56Å; S132-I166 WeakPolarHBondContact CA-O 3.39Å; A133-I166 HydrophobicContact CB-CG1 4.06Å; A133-I166 PolarHBondContact N-O 3.4Å; A133-I166 WeakPolarHBondContact O-CG1 3.22Å; A133-I166 PolarHBondContact O-N 2.96Å; W135-I166 HydrophobicContact CB-CD1 4.15Å; L164-I166 HydrophobicContact CB-CG2 3.99Å; L164-I166 PolarHBondContact O-N 3.15Å; I166-I168 PolarHBondContact O-N 3.48Å; I166-V171 HydrophobicContact CD1-CG2 4.43Å; I166-V174 HydrophobicContact CD1-CB 4.45Å; I166-V174 HydrophobicContact CD1-CG2 3.69Å; I166-L228 HydrophobicContact CG2-CD1 4.29Å |
| 167 | P | 96.4 | Very high | 93.3 | Very high | 36 Ų | 36 | 23.5 Ų | 23.5 | 23% | 0.234 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 137.8 | 168.4 | -24.9 | 34.7 | 0 | 0 | 0 | 110.9 | D169 D170 S221 | P167-D169 PolarHBondContact O-N 3.23Å; P167-D170 HydrophobicContact CB-CB 4.44Å; P167-D170 WeakPolarHBondContact O-CB 3.29Å; P167-D170 PolarHBondContact O-N 3.27Å; P167-S221 WeakPolarHBondContact CD-O 3.37Å |
| 168 | I | 94.7 | Very high | 93.4 | Very high | 25 Ų | 25 | 21.3 Ų | 21.3 | 13% | 0.128 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -58.1 | -34.3 | -176.9 | -164.2 | 172.2 | 0 | 0 | 0 | 112.7 | G129 K131 I166 D170 V171 W194 | G129-I168 VanDerWaalsContact C-CD1 3.44Å; G129-I168 WeakPolarHBondContact O-CD1 3.25Å; K131-I168 WeakPolarHBondContact O-CB 3.09Å; K131-I168 PolarHBondContact O-N 2.76Å; I166-I168 PolarHBondContact O-N 3.48Å; I168-D170 PolarHBondContact O-N 3.45Å; I168-V171 WeakPolarHBondContact O-CB 3.41Å; I168-V171 VanDerWaalsContact O-CG2 3.22Å; I168-V171 WeakPolarHBondContact O-CG2 3.45Å; I168-V171 PolarHBondContact O-N 2.81Å; I168-W194 HydrophobicContact CD1-CH2 3.63Å; I168-W194 HydrophobicContact CD1-CZ2 4.13Å; I168-W194 HydrophobicContact CG1-CH2 3.48Å; I168-W194 VanDerWaalsContact CG1-CH2 3.48Å; I168-W194 HydrophobicContact CG1-CZ2 4.41Å; I168-W194 HydrophobicContact CG1-CZ3 4.25Å |
| 169 | D | 93.3 | Very high | 93.5 | Very high | 143 Ų | 143 | 22.9 Ų | 22.9 | 77% | 0.765 | 12% | 0.118 | S | C | * | . | G | 310 helix | trans | -69.8 | -19.3 | 178.4 | -65.9 | -28.8 | 0 | 0 | 0 | 112.7 | P167 | P167-D169 PolarHBondContact O-N 3.23Š|
| 170 | D | 95.2 | Very high | 93.2 | Very high | 18 Ų | 18 | 25 Ų | 25 | 10% | 0.096 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -85.7 | -6.4 | 179.4 | -79.7 | -5.3 | 0 | 0 | 0 | 113.3 | P167 I168 G172 K173 V174 V220 | P167-D170 HydrophobicContact CB-CB 4.44Å; P167-D170 WeakPolarHBondContact O-CB 3.29Å; P167-D170 PolarHBondContact O-N 3.27Å; I168-D170 PolarHBondContact O-N 3.45Å; D170-G172 PolarHBondContact O-N 3.3Å; D170-K173 HydrophobicContact CB-CD 4.39Å; D170-K173 WeakPolarHBondContact O-CA 3.29Å; D170-K173 WeakPolarHBondContact O-CB 3.47Å; D170-K173 PolarHBondContact O-N 2.95Å; D170-K173 VanDerWaalsContact OD1-CD 3.29Å; D170-K173 WeakPolarHBondContact OD1-CD 3.4Å; D170-K173 WeakPolarHBondContact OD1-CE 3.45Å; D170-K173 IonicContact OD1-NZ 2.62Å; D170-K173 PolarHBondContact OD1-NZ 2.86Å; D170-K173 IonicContact OD2-NZ 3.69Å; D170-V174 PolarHBondContact O-N 2.8Å; D170-V220 HydrophobicContact CB-CG1 4.29Å; D170-V220 HydrophobicContact CB-CG2 4.37Å |
| 171 | V | 95.1 | Very high | 93 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -53.6 | -39.3 | 172.9 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | L101 I125 A127 A133 I166 I168 K173 V174 T175 W194 | L101-V171 HydrophobicContact CD2-CG1 3.66Å; I125-V171 HydrophobicContact CG2-CG1 4.45Å; A127-V171 HydrophobicContact CB-CG2 4.29Å; A133-V171 HydrophobicContact CB-CG2 3.37Å; I166-V171 HydrophobicContact CD1-CG2 4.43Å; I168-V171 WeakPolarHBondContact O-CB 3.41Å; I168-V171 VanDerWaalsContact O-CG2 3.22Å; I168-V171 WeakPolarHBondContact O-CG2 3.45Å; I168-V171 PolarHBondContact O-N 2.81Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 3.44Å; V171-V174 PolarHBondContact O-N 3.03Å; V171-T175 HydrophobicContact CG1-CG2 4.35Å; V171-T175 WeakPolarHBondContact O-CB 3.46Å; V171-T175 WeakPolarHBondContact O-CG2 3.46Å; V171-T175 PolarHBondContact O-N 2.86Å; V171-T175 PolarHBondContact O-OG1 2.82Å; V171-W194 HydrophobicContact CB-CZ3 4.49Å; V171-W194 HydrophobicContact CG1-CZ3 4.45Å; V171-W194 HydrophobicContact CG2-CZ3 4.49Å |
| 172 | G | 93.8 | Very high | 92.5 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D170 T175 R176 D198 | D170-G172 PolarHBondContact O-N 3.3Å; G172-T175 WeakPolarHBondContact CA-OG1 2.95Å; G172-T175 PolarHBondContact O-OG1 2.7Å; G172-T175 VanDerWaalsContact O-OG1 3.07Å; G172-R176 VanDerWaalsContact O-CB 3.32Å; G172-R176 WeakPolarHBondContact O-CB 3.22Å; G172-R176 PolarHBondContact O-N 2.89Å; G172-R176 VanDerWaalsContact O-N 3.1Å; G172-R176 PolarHBondContact O-NE 3Å; G172-D198 WeakPolarHBondContact O-CB 3.15Å |
| 173 | K | 94.1 | Very high | 92.2 | Very high | 58 Ų | 58 | 27.4 Ų | 27.4 | 25% | 0.252 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69.9 | -44.6 | 177.4 | -62.6 | 177.7 | -174.5 | 162.3 | 0 | 111 | D170 V171 R176 Q177 L217 S219 V220 | D170-K173 HydrophobicContact CB-CD 4.39Å; D170-K173 WeakPolarHBondContact O-CA 3.29Å; D170-K173 WeakPolarHBondContact O-CB 3.47Å; D170-K173 PolarHBondContact O-N 2.95Å; D170-K173 VanDerWaalsContact OD1-CD 3.29Å; D170-K173 WeakPolarHBondContact OD1-CD 3.4Å; D170-K173 WeakPolarHBondContact OD1-CE 3.45Å; D170-K173 IonicContact OD1-NZ 2.62Å; D170-K173 PolarHBondContact OD1-NZ 2.86Å; D170-K173 IonicContact OD2-NZ 3.69Å; V171-K173 VanDerWaalsContact C-N 3.33Å; V171-K173 PolarHBondContact O-N 3.44Å; K173-R176 WeakPolarHBondContact O-CB 3.4Å; K173-R176 PolarHBondContact O-N 3.48Å; K173-Q177 PolarHBondContact O-N 2.82Å; K173-L217 HydrophobicContact CB-CD1 4.25Å; K173-L217 HydrophobicContact CB-CD2 4.22Å; K173-S219 PolarHBondContact NZ-O 2.84Å; K173-V220 HydrophobicContact CB-CG2 3.88Å; K173-V220 HydrophobicContact CD-CG2 3.59Å; K173-V220 HydrophobicContact CG-CG2 4.43Å |
| 174 | V | 93.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 177.6 | 175 | 0 | 0 | 0 | 0 | 111.2 | I125 W135 I166 D170 V171 R176 Q177 L178 | I125-V174 HydrophobicContact CD1-CG1 3.94Å; W135-V174 HydrophobicContact CD2-CG1 3.56Å; W135-V174 HydrophobicContact CD2-CG2 4.34Å; W135-V174 HydrophobicContact CE3-CB 4.5Å; W135-V174 HydrophobicContact CE3-CG1 3.83Å; W135-V174 HydrophobicContact CE3-CG2 3.79Å; W135-V174 HydrophobicContact CG-CG1 4.03Å; W135-V174 HydrophobicContact CH2-CG1 4.17Å; W135-V174 HydrophobicContact CZ2-CG1 3.9Å; W135-V174 HydrophobicContact CZ3-CG1 4.12Å; W135-V174 HydrophobicContact CZ3-CG2 3.96Å; I166-V174 HydrophobicContact CD1-CB 4.45Å; I166-V174 HydrophobicContact CD1-CG2 3.69Å; D170-V174 PolarHBondContact O-N 2.8Å; V171-V174 PolarHBondContact O-N 3.03Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.46Å; V174-Q177 WeakPolarHBondContact O-CA 3.07Å; V174-Q177 VanDerWaalsContact O-CB 3.23Å; V174-Q177 WeakPolarHBondContact O-CB 3.33Å; V174-Q177 PolarHBondContact O-N 2.78Å; V174-L178 PolarHBondContact O-N 2.76Å |
| 175 | T | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.6 | -37.1 | 177.6 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | L103 I125 V171 G172 Q177 L178 V179 V199 L202 | L103-T175 HydrophobicContact CD1-CG2 4.17Å; I125-T175 HydrophobicContact CD1-CG2 4.09Å; V171-T175 HydrophobicContact CG1-CG2 4.35Å; V171-T175 WeakPolarHBondContact O-CB 3.46Å; V171-T175 WeakPolarHBondContact O-CG2 3.46Å; V171-T175 PolarHBondContact O-N 2.86Å; V171-T175 PolarHBondContact O-OG1 2.82Å; G172-T175 WeakPolarHBondContact CA-OG1 2.95Å; G172-T175 PolarHBondContact O-OG1 2.7Å; G172-T175 VanDerWaalsContact O-OG1 3.07Å; T175-Q177 PolarHBondContact O-N 2.86Å; T175-L178 PolarHBondContact O-N 2.9Å; T175-V179 PolarHBondContact O-N 2.67Å; T175-V199 HydrophobicContact CG2-CG2 4.15Å; T175-L202 HydrophobicContact CG2-CD2 4.01Å |
| 176 | R | 90 | Very high | 91.6 | Very high | 106 Ų | 106 | 32.5 Ų | 32.5 | 40% | 0.4 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.3 | -27.2 | 170.2 | -99.6 | -175.5 | -78.1 | 150.1 | -10.7 | 114.2 | G172 K173 V174 D198 K215 | G172-R176 VanDerWaalsContact O-CB 3.32Å; G172-R176 WeakPolarHBondContact O-CB 3.22Å; G172-R176 PolarHBondContact O-N 2.89Å; G172-R176 VanDerWaalsContact O-N 3.1Å; G172-R176 PolarHBondContact O-NE 3Å; K173-R176 WeakPolarHBondContact O-CB 3.4Å; K173-R176 PolarHBondContact O-N 3.48Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.46Å; R176-D198 WeakPolarHBondContact CD-OD1 3.28Å; R176-D198 HydrophobicContact CG-CB 3.99Å; R176-D198 VanDerWaalsContact CG-OD1 3.3Å; R176-D198 WeakPolarHBondContact CG-OD1 3.39Å; R176-D198 IonicContact CZ-OD2 2.96Å; R176-D198 VanDerWaalsContact CZ-OD2 3.29Å; R176-D198 IonicContact NE-OD1 2.87Å; R176-D198 PolarHBondContact NE-OD1 3.26Å; R176-D198 VanDerWaalsContact NE-OD1 3.09Å; R176-D198 IonicContact NE-OD2 3.76Å; R176-D198 PolarHBondContact NE-OD2 3.36Å; R176-D198 IonicContact NH2-OD2 2.94Å; R176-D198 PolarHBondContact NH2-OD2 2.88Å; R176-K215 PolarHBondContact O-NZ 3.48Å |
| 177 | Q | 89.7 | Confident | 91.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -77.9 | -43.4 | 176.7 | -173.2 | 63.3 | 15.4 | 0 | 0 | 110.3 | K173 V174 T175 V179 Y180 K215 L217 V230 S232 | K173-Q177 PolarHBondContact O-N 2.82Å; V174-Q177 WeakPolarHBondContact O-CA 3.07Å; V174-Q177 VanDerWaalsContact O-CB 3.23Å; V174-Q177 WeakPolarHBondContact O-CB 3.33Å; V174-Q177 PolarHBondContact O-N 2.78Å; T175-Q177 PolarHBondContact O-N 2.86Å; Q177-V179 PolarHBondContact O-N 2.92Å; Q177-Y180 PolarHBondContact O-N 2.95Å; Q177-K215 PolarHBondContact NE2-O 2.77Å; Q177-L217 HydrophobicContact CB-CD2 3.97Å; Q177-L217 HydrophobicContact CG-CB 4.36Å; Q177-L217 HydrophobicContact CG-CD2 4.22Å; Q177-V230 HydrophobicContact CG-CB 4.46Å; Q177-V230 HydrophobicContact CG-CG1 3.71Å; Q177-V230 PolarHBondContact NE2-O 3.18Å; Q177-S232 WeakPolarHBondContact CG-OG 3.27Å; Q177-S232 PolarHBondContact NE2-OG 2.84Å |
| 178 | L | 90 | Very high | 91.6 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.9 | -27.7 | 177.2 | -68.4 | -178.6 | 0 | 0 | 0 | 113.7 | Y105 I125 V174 T175 Y180 Q181 D182 P183 L202 | Y105-L178 HydrophobicContact CD1-CD1 4.38Å; Y105-L178 HydrophobicContact CE1-CD1 3.79Å; Y105-L178 HydrophobicContact CE1-CD2 4.41Å; Y105-L178 HydrophobicContact CE2-CD2 4.22Å; I125-L178 HydrophobicContact CD1-CD1 3.55Å; V174-L178 PolarHBondContact O-N 2.76Å; T175-L178 PolarHBondContact O-N 2.9Å; L178-Y180 PolarHBondContact O-N 2.04Å; L178-Y180 VanDerWaalsContact O-N 3.11Å; L178-Q181 WeakPolarHBondContact O-CA 3.43Å; L178-Q181 WeakPolarHBondContact O-CB 3.33Å; L178-Q181 PolarHBondContact O-N 3.27Å; L178-D182 PolarHBondContact O-N 2.86Å; L178-P183 HydrophobicContact CB-CG 4.3Å; L178-P183 WeakPolarHBondContact O-CD 3.45Å; L178-L202 HydrophobicContact CB-CD1 3.7Å; L178-L202 HydrophobicContact CB-CD2 4.16Å; L178-L202 HydrophobicContact CD1-CD2 4.05Å |
| 179 | V | 88 | Confident | 91.7 | Very high | 34 Ų | 34 | 39.2 Ų | 39.2 | 21% | 0.206 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -53.7 | -33.2 | 172.6 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | T175 Q177 D182 V201 L202 | T175-V179 PolarHBondContact O-N 2.67Å; Q177-V179 PolarHBondContact O-N 2.92Å; V179-D182 PolarHBondContact O-N 3.48Å; V179-V201 HydrophobicContact CG1-CG1 4.34Å; V179-V201 HydrophobicContact CG2-CG1 3.87Å; V179-L202 HydrophobicContact CG2-CB 4.23Å; V179-L202 HydrophobicContact CG2-CD1 4.26Å |
| 180 | Y | 86.2 | Confident | 91.9 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 18% | 0.184 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -83.6 | -16.5 | 177.2 | -76.5 | -104.9 | 0 | 0 | 0 | 112.9 | Q177 L178 P212 F214 K215 R233 L234 | Q177-Y180 PolarHBondContact O-N 2.95Å; L178-Y180 PolarHBondContact O-N 2.04Å; L178-Y180 VanDerWaalsContact O-N 3.11Å; Y180-P212 WeakPolarHBondContact CE1-O 3.4Å; Y180-F214 VanDerWaalsContact CD1-C 3.49Å; Y180-F214 WeakPolarHBondContact CE1-O 3.45Å; Y180-K215 HydrophobicContact CD1-CB 3.71Å; Y180-K215 HydrophobicContact CD2-CB 3.67Å; Y180-K215 HydrophobicContact CD2-CD 3.41Å; Y180-K215 VanDerWaalsContact CD2-CD 3.41Å; Y180-K215 HydrophobicContact CD2-CG 4.22Å; Y180-K215 HydrophobicContact CE1-CB 4Å; Y180-K215 HydrophobicContact CE2-CB 4.02Å; Y180-K215 HydrophobicContact CE2-CD 3.39Å; Y180-K215 HydrophobicContact CE2-CG 4.3Å; Y180-K215 HydrophobicContact CG-CB 3.51Å; Y180-K215 HydrophobicContact CG-CD 4.16Å; Y180-R233 CarbonylContact O-C 2.76Å; Y180-L234 HydrophobicContact CD1-CD1 4.41Å; Y180-L234 HydrophobicContact CD1-CG 4.4Å; Y180-L234 VanDerWaalsContact O-CA 3.22Å; Y180-L234 WeakPolarHBondContact O-CA 3.37Å; Y180-L234 WeakPolarHBondContact O-CD2 3.34Å; Y180-L234 WeakPolarHBondContact O-CG 3.21Å; Y180-L234 PolarHBondContact O-N 2.96Å |
| 181 | Q | 84.3 | Confident | 91.9 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 9% | 0.093 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -81.1 | -21.9 | 168.2 | -173 | 172.2 | 19.6 | 0 | 0 | 111.7 | Q119 L178 D372 | Q119-Q181 PolarHBondContact OE1-O 3.32Å; L178-Q181 WeakPolarHBondContact O-CA 3.43Å; L178-Q181 WeakPolarHBondContact O-CB 3.33Å; L178-Q181 PolarHBondContact O-N 3.27Å; Q181-D372 PolarHBondContact NE2-OD2 2.98Å |
| 182 | D | 83.5 | Confident | 91.9 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 19% | 0.187 | 20% | 0.197 | C | C | . | . | trans | 52.7 | 49.1 | -177.5 | -179.9 | 51.4 | 0 | 0 | 0 | 113.1 | Q119 L178 V179 K206 L234 | Q119-D182 VanDerWaalsContact CD-O 3.3Å; Q119-D182 PolarHBondContact NE2-O 3.38Å; Q119-D182 PolarHBondContact NE2-OD2 3.18Å; Q119-D182 PolarHBondContact OE1-O 3.34Å; Q119-D182 VanDerWaalsContact OE1-O 3.12Å; L178-D182 PolarHBondContact O-N 2.86Å; V179-D182 PolarHBondContact O-N 3.48Å; D182-K206 WeakPolarHBondContact OD1-CE 3.42Å; D182-K206 IonicContact OD1-NZ 2.94Å; D182-K206 WeakPolarHBondContact OD2-CE 3.45Å; D182-K206 IonicContact OD2-NZ 3.29Å; D182-K206 PolarHBondContact OD2-NZ 2.83Å; D182-L234 HydrophobicContact CB-CD2 3.82Å | ||
| 183 | P | 88.5 | Confident | 91.9 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | trans | -75.7 | 152.6 | -170.6 | 36.2 | -39.4 | 0 | 0 | 0 | 111.2 | Y105 L178 I185 L202 | Y105-P183 HydrophobicContact CD2-CB 3.52Å; Y105-P183 HydrophobicContact CD2-CG 4.19Å; Y105-P183 HydrophobicContact CE2-CB 4.29Å; Y105-P183 HydrophobicContact CG-CB 3.91Å; Y105-P183 HydrophobicContact CG-CG 4.28Å; L178-P183 HydrophobicContact CB-CG 4.3Å; L178-P183 WeakPolarHBondContact O-CD 3.45Å; P183-I185 PolarHBondContact O-N 3Å; P183-L202 HydrophobicContact CG-CD1 4.21Å | ||
| 184 | V | 91 | Very high | 91.9 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 22% | 0.216 | S | C | . | . | trans | -83.8 | 105.4 | 175 | 174.7 | 0 | 0 | 0 | 0 | 109 | Y105 S106 I116 Q119 F186 | Y105-V184 CarbonylContact C-O 3.54Å; Y105-V184 WeakPolarHBondContact CA-O 3.25Å; Y105-V184 WeakPolarHBondContact CB-O 3.4Å; S106-V184 PolarHBondContact N-O 3.23Å; I116-V184 HydrophobicContact CD1-CB 3.83Å; I116-V184 HydrophobicContact CD1-CG1 3.62Å; I116-V184 HydrophobicContact CD1-CG2 3.61Å; I116-V184 HydrophobicContact CG2-CG2 4.27Å; Q119-V184 HydrophobicContact CG-CG2 4.45Å; V184-F186 PolarHBondContact O-N 2.62Å | ||
| 185 | I | 93.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 21% | 0.205 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 106.1 | 176.5 | -63.9 | 170.6 | 0 | 0 | 0 | 108.4 | F104 P183 F187 Q188 L202 L203 | F104-I185 WeakPolarHBondContact O-CA 3.49Å; P183-I185 PolarHBondContact O-N 3Å; I185-F187 WeakPolarHBondContact CG2-O 3.5Å; I185-Q188 HydrophobicContact CG2-CB 4.12Å; I185-L202 HydrophobicContact CD1-CD1 4.19Å; I185-L202 HydrophobicContact CD1-CD2 3.87Å; I185-L202 HydrophobicContact CD1-CG 3.6Å; I185-L203 HydrophobicContact CD1-CD2 3.51Å; I185-L203 HydrophobicContact CG2-CD2 4.24Å |
| 186 | F | 94.3 | Very high | 92 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 18% | 0.18 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -17.7 | -176.8 | 73.2 | -92 | 0 | 0 | 0 | 112.8 | F104 P109 P110 V184 | F104-F186 HydrophobicContact CB-CD1 4.22Å; F104-F186 HydrophobicContact CB-CE1 3.51Å; F104-F186 HydrophobicContact CB-CE2 4.07Å; F104-F186 HydrophobicContact CB-CZ 3.43Å; F104-F186 VanDerWaalsContact CB-CZ 3.43Å; F104-F186 HydrophobicContact CD2-CE2 4.39Å; F104-F186 HydrophobicContact CD2-CZ 4.25Å; F104-F186 HydrophobicContact CG-CZ 4.3Å; F104-F186 VanDerWaalsContact O-CD1 3.3Å; F104-F186 WeakPolarHBondContact O-CD1 3.5Å; F104-F186 PolarHBondContact O-N 2.68Å; P109-F186 HydrophobicContact CB-CB 3.69Å; P109-F186 HydrophobicContact CB-CD1 3.63Å; P109-F186 HydrophobicContact CB-CD2 4Å; P109-F186 HydrophobicContact CB-CE1 4.21Å; P109-F186 HydrophobicContact CB-CG 3.5Å; P109-F186 VanDerWaalsContact CB-CG 3.5Å; P109-F186 HydrophobicContact CG-CB 4.22Å; P110-F186 HydrophobicContact CG-CE2 4.1Å; P110-F186 HydrophobicContact CG-CZ 4.46Å; V184-F186 PolarHBondContact O-N 2.62Å |
| 187 | F | 96.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 22% | 0.219 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 137.1 | 171.9 | 176.5 | -98.1 | 0 | 0 | 0 | 110.3 | Y89 A102 F104 Y146 I185 | Y89-F187 HydrophobicContact CE1-CE1 4.32Å; Y89-F187 WeakPolarHBondContact OH-CE1 3.25Å; Y89-F187 WeakPolarHBondContact OH-CZ 3.03Å; A102-F187 HydrophobicContact CB-CD1 4.45Å; A102-F187 HydrophobicContact CB-CE1 3.88Å; F104-F187 HydrophobicContact CB-CB 4.11Å; F104-F187 HydrophobicContact CD1-CD1 4.48Å; F104-F187 HydrophobicContact CD2-CB 3.75Å; F104-F187 AromaticContact CD2-CD1 3.33Å; F104-F187 HydrophobicContact CD2-CD1 3.33Å; F104-F187 HydrophobicContact CD2-CE1 4.19Å; F104-F187 AromaticContact CD2-CG 3.82Å; F104-F187 HydrophobicContact CD2-CG 3.82Å; F104-F187 HydrophobicContact CE1-CD1 4.5Å; F104-F187 AromaticContact CE2-CD1 3.38Å; F104-F187 HydrophobicContact CE2-CD1 3.38Å; F104-F187 AromaticContact CE2-CE1 3.76Å; F104-F187 HydrophobicContact CE2-CE1 3.76Å; F104-F187 HydrophobicContact CE2-CG 4.15Å; F104-F187 HydrophobicContact CG-CB 4.21Å; F104-F187 AromaticContact CG-CD1 3.91Å; F104-F187 HydrophobicContact CG-CD1 3.91Å; F104-F187 AromaticContact CZ-CD1 3.99Å; F104-F187 HydrophobicContact CZ-CD1 3.99Å; F104-F187 HydrophobicContact CZ-CE1 4.11Å; F104-F187 PolarHBondContact N-O 3.21Å; F104-F187 PolarHBondContact O-N 3.12Å; Y146-F187 AromaticContact CD1-CD2 4Å; Y146-F187 HydrophobicContact CD1-CD2 4Å; Y146-F187 HydrophobicContact CD1-CE2 4.29Å; Y146-F187 HydrophobicContact CD1-CG 4.48Å; Y146-F187 HydrophobicContact CE1-CB 4.18Å; Y146-F187 AromaticContact CE1-CD2 3.57Å; Y146-F187 HydrophobicContact CE1-CD2 3.57Å; Y146-F187 HydrophobicContact CE1-CE2 4.23Å; Y146-F187 HydrophobicContact CE1-CG 4.1Å; I185-F187 WeakPolarHBondContact CG2-O 3.5Å |
| 188 | Q | 95.8 | Very high | 92.1 | Very high | 107 Ų | 107 | 56.8 Ų | 56.8 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 137 | 176.1 | 57.6 | 174.3 | -6.6 | 0 | 0 | 111.4 | A102 L103 I185 V190 | A102-Q188 CarbonylContact O-C 3.44Å; A102-Q188 VanDerWaalsContact O-CA 3.25Å; A102-Q188 WeakPolarHBondContact O-CA 3.45Å; L103-Q188 HydrophobicContact CD2-CB 3.9Å; I185-Q188 HydrophobicContact CG2-CB 4.12Å; Q188-V190 HydrophobicContact CB-CG2 4.47Å |
| 189 | N | 97.2 | Very high | 92.2 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116 | 159.4 | -175.1 | 52.9 | 0 | 0 | 0 | 108.1 | K97 R98 S100 L101 A102 | K97-N189 PolarHBondContact O-ND2 3.12Å; R98-N189 PolarHBondContact O-ND2 2.94Å; S100-N189 PolarHBondContact O-ND2 3.43Å; L101-N189 WeakPolarHBondContact CA-O 3.39Å; A102-N189 HydrophobicContact CB-CB 4.2Å; A102-N189 PolarHBondContact N-O 2.95Å; A102-N189 PolarHBondContact O-N 2.74Å |
| 190 | V | 97.2 | Very high | 92.4 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 13% | 0.127 | 29% | 0.288 | C | S | . | . | trans | -127.6 | 89.8 | -177.5 | -168.5 | 0 | 0 | 0 | 0 | 110.1 | L101 L103 Q188 W194 R195 V199 L203 | L101-V190 HydrophobicContact CD1-CB 4.41Å; L101-V190 HydrophobicContact CD1-CG1 4.2Å; L101-V190 HydrophobicContact CD1-CG2 3.91Å; L103-V190 HydrophobicContact CD2-CG2 3.96Å; Q188-V190 HydrophobicContact CB-CG2 4.47Å; V190-W194 HydrophobicContact CG1-CB 3.89Å; V190-R195 HydrophobicContact CG1-CG 3.72Å; V190-R195 PolarHBondContact O-NE 3.16Å; V190-R195 PolarHBondContact O-NH2 3.36Å; V190-V199 HydrophobicContact CG1-CG1 3.9Å; V190-V199 HydrophobicContact CG2-CG1 4.31Å; V190-L203 HydrophobicContact CG2-CD1 3.84Å | ||
| 191 | P | 95.9 | Very high | 92.5 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | trans | -58.6 | 160.3 | 170.7 | -17.2 | 26.5 | 0 | 0 | 0 | 111.7 | R98 N99 S100 V193 W194 R195 | R98-P191 WeakPolarHBondContact O-CG 3.42Å; N99-P191 VanDerWaalsContact C-CG 3.43Å; N99-P191 WeakPolarHBondContact O-CG 3.46Å; S100-P191 WeakPolarHBondContact O-CD 3.4Å; P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 3.37Å; P191-W194 PolarHBondContact O-N 3.48Å; P191-R195 PolarHBondContact O-N 2.87Å | ||
| 192 | E | 95.5 | Very high | 92.7 | Very high | 156 Ų | 156 | 60.2 Ų | 60.2 | 73% | 0.729 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -54.9 | -42.9 | -172.9 | -172 | 169.4 | -177.4 | 0 | 0 | 114.1 | W194 R195 | E192-W194 PolarHBondContact O-N 2.72Å; E192-W194 VanDerWaalsContact O-N 3.12Å; E192-R195 WeakPolarHBondContact O-CB 3.1Å; E192-R195 PolarHBondContact O-N 3.15Å |
| 193 | V | 93 | Very high | 93 | Very high | 114 Ų | 114 | 61.2 Ų | 61.2 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -58.5 | -26.2 | 177.9 | 67.4 | 0 | 0 | 0 | 0 | 113.2 | P191 | P191-V193 VanDerWaalsContact C-N 3.31Å; P191-V193 PolarHBondContact O-N 3.37Å |
| 194 | W | 94.3 | Very high | 92.7 | Very high | 29 Ų | 29 | 67.9 Ų | 67.9 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -95.6 | -1.8 | -179.3 | -62 | 111.9 | 0 | 0 | 0 | 114 | L101 A127 I168 V171 V190 P191 E192 T196 V199 | L101-W194 HydrophobicContact CB-CB 4.25Å; L101-W194 HydrophobicContact CB-CD2 3.8Å; L101-W194 HydrophobicContact CB-CE3 4.46Å; L101-W194 HydrophobicContact CB-CG 3.68Å; L101-W194 HydrophobicContact CD1-CB 4.07Å; L101-W194 HydrophobicContact CD1-CG 4.41Å; L101-W194 HydrophobicContact CD2-CB 4.49Å; L101-W194 HydrophobicContact CD2-CD2 4.11Å; L101-W194 HydrophobicContact CD2-CE3 3.96Å; L101-W194 HydrophobicContact CD2-CG 4.36Å; L101-W194 HydrophobicContact CG-CG 4.37Å; A127-W194 HydrophobicContact CB-CH2 3.38Å; A127-W194 HydrophobicContact CB-CZ2 3.46Å; A127-W194 VanDerWaalsContact CB-CZ2 3.46Å; A127-W194 HydrophobicContact CB-CZ3 4Å; I168-W194 HydrophobicContact CD1-CH2 3.63Å; I168-W194 HydrophobicContact CD1-CZ2 4.13Å; I168-W194 HydrophobicContact CG1-CH2 3.48Å; I168-W194 VanDerWaalsContact CG1-CH2 3.48Å; I168-W194 HydrophobicContact CG1-CZ2 4.41Å; I168-W194 HydrophobicContact CG1-CZ3 4.25Å; V171-W194 HydrophobicContact CB-CZ3 4.49Å; V171-W194 HydrophobicContact CG1-CZ3 4.45Å; V171-W194 HydrophobicContact CG2-CZ3 4.49Å; V190-W194 HydrophobicContact CG1-CB 3.89Å; P191-W194 PolarHBondContact O-N 3.48Å; E192-W194 PolarHBondContact O-N 2.72Å; E192-W194 VanDerWaalsContact O-N 3.12Å; W194-T196 PolarHBondContact O-N 2.75Å; W194-V199 WeakPolarHBondContact O-CB 3.39Å; W194-V199 WeakPolarHBondContact O-CG2 3.34Å |
| 195 | R | 94.4 | Very high | 91.6 | Very high | 118 Ų | 118 | 73.1 Ų | 73.1 | 45% | 0.445 | 35% | 0.352 | S | S | . | . | trans | -78.6 | 42.7 | -179 | -70.6 | -175.3 | -163.2 | 128.6 | 4.9 | 113 | V190 P191 E192 K200 | V190-R195 HydrophobicContact CG1-CG 3.72Å; V190-R195 PolarHBondContact O-NE 3.16Å; V190-R195 PolarHBondContact O-NH2 3.36Å; P191-R195 PolarHBondContact O-N 2.87Å; E192-R195 WeakPolarHBondContact O-CB 3.1Å; E192-R195 PolarHBondContact O-N 3.15Å; R195-K200 WeakPolarHBondContact O-CD 3.35Å; R195-K200 WeakPolarHBondContact O-CE 3.01Å; R195-K200 PolarHBondContact O-NZ 3.37Å | ||
| 196 | T | 93.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 78.5 Ų | 78.5 | 37% | 0.368 | 37% | 0.374 | S | S | . | . | trans | -65.7 | 164.9 | 177.7 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | W194 D198 V199 K200 | W194-T196 PolarHBondContact O-N 2.75Å; T196-D198 PolarHBondContact O-N 3.03Å; T196-V199 WeakPolarHBondContact OG1-CG2 3.41Å; T196-V199 PolarHBondContact OG1-N 2.83Å; T196-K200 WeakPolarHBondContact O-CB 3.48Å; T196-K200 VanDerWaalsContact O-CG 3.3Å; T196-K200 WeakPolarHBondContact O-CG 3.46Å; T196-K200 PolarHBondContact O-N 3Å | ||
| 197 | K | 91.7 | Very high | 88.6 | Confident | 168 Ų | 168 | 84.7 Ų | 84.7 | 73% | 0.73 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -57 | -40 | 176.1 | -177 | -178.1 | 175.2 | -175.7 | 0 | 111.5 | K200 V201 | K197-K200 PolarHBondContact O-N 3.43Å; K197-V201 HydrophobicContact CG-CG2 4.49Å; K197-V201 VanDerWaalsContact O-CG2 3.23Å; K197-V201 WeakPolarHBondContact O-CG2 3.33Å; K197-V201 PolarHBondContact O-N 2.84Å |
| 198 | D | 90.7 | Very high | 86.8 | Confident | 33 Ų | 33 | 92 Ų | 92 | 18% | 0.176 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.9 | -48.8 | -175.7 | -65.1 | -24 | 0 | 0 | 0 | 111.7 | G172 R176 T196 K200 V201 L202 | G172-D198 WeakPolarHBondContact O-CB 3.15Å; R176-D198 WeakPolarHBondContact CD-OD1 3.28Å; R176-D198 HydrophobicContact CG-CB 3.99Å; R176-D198 VanDerWaalsContact CG-OD1 3.3Å; R176-D198 WeakPolarHBondContact CG-OD1 3.39Å; R176-D198 IonicContact CZ-OD2 2.96Å; R176-D198 VanDerWaalsContact CZ-OD2 3.29Å; R176-D198 IonicContact NE-OD1 2.87Å; R176-D198 PolarHBondContact NE-OD1 3.26Å; R176-D198 VanDerWaalsContact NE-OD1 3.09Å; R176-D198 IonicContact NE-OD2 3.76Å; R176-D198 PolarHBondContact NE-OD2 3.36Å; R176-D198 IonicContact NH2-OD2 2.94Å; R176-D198 PolarHBondContact NH2-OD2 2.88Å; T196-D198 PolarHBondContact O-N 3.03Å; D198-K200 PolarHBondContact O-N 3.07Å; D198-V201 PolarHBondContact O-N 2.77Å; D198-L202 PolarHBondContact O-N 2.91Å |
| 199 | V | 92.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 89.5 Ų | 89.5 | 1% | 0.006 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 175 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | T175 V190 W194 T196 V201 L202 L203 | T175-V199 HydrophobicContact CG2-CG2 4.15Å; V190-V199 HydrophobicContact CG1-CG1 3.9Å; V190-V199 HydrophobicContact CG2-CG1 4.31Å; W194-V199 WeakPolarHBondContact O-CB 3.39Å; W194-V199 WeakPolarHBondContact O-CG2 3.34Å; T196-V199 WeakPolarHBondContact OG1-CG2 3.41Å; T196-V199 PolarHBondContact OG1-N 2.83Å; V199-V201 VanDerWaalsContact C-N 3.3Å; V199-V201 PolarHBondContact O-N 3.25Å; V199-L202 WeakPolarHBondContact O-CB 3.42Å; V199-L202 PolarHBondContact O-N 2.82Å; V199-L203 HydrophobicContact CG1-CD1 4.01Å; V199-L203 WeakPolarHBondContact O-CG 3.21Å; V199-L203 PolarHBondContact O-N 3.07Å |
| 200 | K | 91.9 | Very high | 83.7 | Confident | 93 Ų | 93 | 93.8 Ų | 93.8 | 40% | 0.404 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 178.2 | -78.9 | 174.7 | 173.4 | 152.5 | 0 | 113.2 | R195 T196 K197 D198 L202 L203 R204 | R195-K200 WeakPolarHBondContact O-CD 3.35Å; R195-K200 WeakPolarHBondContact O-CE 3.01Å; R195-K200 PolarHBondContact O-NZ 3.37Å; T196-K200 WeakPolarHBondContact O-CB 3.48Å; T196-K200 VanDerWaalsContact O-CG 3.3Å; T196-K200 WeakPolarHBondContact O-CG 3.46Å; T196-K200 PolarHBondContact O-N 3Å; K197-K200 PolarHBondContact O-N 3.43Å; D198-K200 PolarHBondContact O-N 3.07Å; K200-L202 VanDerWaalsContact C-N 3.33Å; K200-L203 PolarHBondContact O-N 2.56Å; K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.12Å; K200-R204 PolarHBondContact O-N 2.9Å |
| 201 | V | 88 | Confident | 82.3 | Confident | 60 Ų | 60 | 100 Ų | 100 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.7 | -37.3 | 179.4 | 168.6 | 0 | 0 | 0 | 0 | 110.9 | V179 K197 D198 V199 L203 R204 | V179-V201 HydrophobicContact CG1-CG1 4.34Å; V179-V201 HydrophobicContact CG2-CG1 3.87Å; K197-V201 HydrophobicContact CG-CG2 4.49Å; K197-V201 VanDerWaalsContact O-CG2 3.23Å; K197-V201 WeakPolarHBondContact O-CG2 3.33Å; K197-V201 PolarHBondContact O-N 2.84Å; D198-V201 PolarHBondContact O-N 2.77Å; V199-V201 VanDerWaalsContact C-N 3.3Å; V199-V201 PolarHBondContact O-N 3.25Å; V201-L203 PolarHBondContact O-N 3.42Å; V201-R204 PolarHBondContact O-N 2.9Å |
| 202 | L | 89.1 | Confident | 81.5 | Confident | 20 Ų | 20 | 102.6 Ų | 102.6 | 11% | 0.105 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 175.6 | -179.2 | 63.6 | 0 | 0 | 0 | 112.8 | L103 T175 L178 V179 P183 I185 D198 V199 K200 | L103-L202 HydrophobicContact CD1-CD2 4.18Å; T175-L202 HydrophobicContact CG2-CD2 4.01Å; L178-L202 HydrophobicContact CB-CD1 3.7Å; L178-L202 HydrophobicContact CB-CD2 4.16Å; L178-L202 HydrophobicContact CD1-CD2 4.05Å; V179-L202 HydrophobicContact CG2-CB 4.23Å; V179-L202 HydrophobicContact CG2-CD1 4.26Å; P183-L202 HydrophobicContact CG-CD1 4.21Å; I185-L202 HydrophobicContact CD1-CD1 4.19Å; I185-L202 HydrophobicContact CD1-CD2 3.87Å; I185-L202 HydrophobicContact CD1-CG 3.6Å; D198-L202 PolarHBondContact O-N 2.91Å; V199-L202 WeakPolarHBondContact O-CB 3.42Å; V199-L202 PolarHBondContact O-N 2.82Å; K200-L202 VanDerWaalsContact C-N 3.33Å |
| 203 | L | 90.1 | Very high | 80.8 | Confident | 56 Ų | 56 | 97.7 Ų | 97.7 | 29% | 0.293 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.8 | -176.1 | -60 | 177.4 | 0 | 0 | 0 | 115 | L103 I185 V190 V199 K200 V201 | L103-L203 HydrophobicContact CD2-CD2 4.16Å; I185-L203 HydrophobicContact CD1-CD2 3.51Å; I185-L203 HydrophobicContact CG2-CD2 4.24Å; V190-L203 HydrophobicContact CG2-CD1 3.84Å; V199-L203 HydrophobicContact CG1-CD1 4.01Å; V199-L203 WeakPolarHBondContact O-CG 3.21Å; V199-L203 PolarHBondContact O-N 3.07Å; K200-L203 PolarHBondContact O-N 2.56Å; V201-L203 PolarHBondContact O-N 3.42Å |
| 204 | R | 81.7 | Confident | 80.4 | Confident | 155 Ų | 155 | 95.4 Ų | 95.4 | 59% | 0.585 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -83.4 | 152.9 | -178.4 | -82.1 | 166.8 | -177 | -171.6 | -1.9 | 111.1 | K200 V201 K206 | K200-R204 VanDerWaalsContact O-CG 3.24Å; K200-R204 WeakPolarHBondContact O-CG 3.12Å; K200-R204 PolarHBondContact O-N 2.9Å; V201-R204 PolarHBondContact O-N 2.9Å; R204-K206 PolarHBondContact O-N 3.03Å |
| 205 | D | 67.2 | Low | 80 | Confident | 156 Ų | 156 | 96.6 Ų | 96.6 | 83% | 0.834 | 46% | 0.456 | S | S | * | . | trans | -54.8 | 139.8 | 168.2 | -65.1 | -36.9 | 0 | 0 | 0 | 111.2 | K207 | D205-K207 PolarHBondContact O-N 3.34Å; D205-K207 VanDerWaalsContact O-N 3.13Å | ||
| 206 | K | 63.9 | Low | 79.8 | Confident | 152 Ų | 152 | 93.9 Ų | 93.9 | 66% | 0.661 | 45% | 0.448 | S | S | * | . | trans | -43.6 | 118.3 | -177.3 | -89.4 | -173.6 | 173.4 | -178.4 | 0 | 112 | D182 R204 | D182-K206 WeakPolarHBondContact OD1-CE 3.42Å; D182-K206 IonicContact OD1-NZ 2.94Å; D182-K206 WeakPolarHBondContact OD2-CE 3.45Å; D182-K206 IonicContact OD2-NZ 3.29Å; D182-K206 PolarHBondContact OD2-NZ 2.83Å; R204-K206 PolarHBondContact O-N 3.03Å | ||
| 207 | K | 60.6 | Low | 79.5 | Confident | 172 Ų | 172 | 91.6 Ų | 91.6 | 75% | 0.748 | 43% | 0.434 | S | S | * | . | trans | -82.3 | 140.1 | 149.6 | -68.1 | -168.6 | 176.3 | -169.2 | 0 | 107.6 | D205 T209 | D205-K207 PolarHBondContact O-N 3.34Å; D205-K207 VanDerWaalsContact O-N 3.13Å; K207-T209 VanDerWaalsContact C-N 3.34Å; K207-T209 PolarHBondContact O-N 3.17Å | ||
| 208 | K | 59.6 | Low | 79.1 | Confident | 202 Ų | 202 | 88.7 Ų | 88.7 | 88% | 0.878 | 43% | 0.426 | S | S | * | . | trans | -55.6 | 104.8 | 163.4 | -82.4 | -176.2 | 177.6 | 178.9 | 0 | 107 | N210 | K208-N210 PolarHBondContact O-N 2.88Š| ||
| 209 | T | 62.1 | Low | 78.8 | Confident | 56 Ų | 56 | 90.5 Ų | 90.5 | 34% | 0.344 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 119.9 | 166 | 3.2 | 0 | 0 | 0 | 0 | 106.5 | K207 L234 | K207-T209 VanDerWaalsContact C-N 3.34Å; K207-T209 PolarHBondContact O-N 3.17Å; T209-L234 HydrophobicContact CG2-CD1 4.23Å; T209-L234 WeakPolarHBondContact OG1-CD1 3.31Å |
| 210 | N | 64.7 | Low | 78.6 | Confident | 133 Ų | 133 | 90.4 Ų | 90.4 | 71% | 0.711 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 165.4 | 165.8 | -67.4 | -22.2 | 0 | 0 | 0 | 108.7 | K208 | K208-N210 PolarHBondContact O-N 2.88Š|
| 211 | E | 68.3 | Low | 78.8 | Confident | 151 Ų | 151 | 87.8 Ų | 87.8 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -48 | 146.8 | 173.2 | -73.2 | 177.5 | 179.2 | 0 | 0 | 112.4 | F213 | E211-F213 HydrophobicContact CG-CD2 3.72Å; E211-F213 HydrophobicContact CG-CE1 4.29Å; E211-F213 HydrophobicContact CG-CE2 3.24Å; E211-F213 HydrophobicContact CG-CG 4.41Å; E211-F213 HydrophobicContact CG-CZ 3.57Å; E211-F213 WeakPolarHBondContact OE1-CE2 3.24Å |
| 212 | P | 78.1 | Confident | 79.1 | Confident | 70 Ų | 70 | 85.1 Ų | 85.1 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | cis | -75.2 | 146.5 | 3.7 | 31 | -34.9 | 0 | 0 | 0 | 113 | Y180 F214 | Y180-P212 WeakPolarHBondContact CE1-O 3.4Å; P212-F214 HydrophobicContact CB-CD1 4.16Å; P212-F214 HydrophobicContact CB-CE1 3.97Å; P212-F214 HydrophobicContact CB-CZ 4.42Å; P212-F214 PolarHBondContact O-N 3.17Å |
| 213 | F | 81.6 | Confident | 79.3 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 23% | 0.232 | 43% | 0.427 | C | S | . | . | trans | -81.3 | 2.8 | 177 | -62.1 | -62.8 | 0 | 0 | 0 | 113.8 | E211 R233 L234 T236 | E211-F213 HydrophobicContact CG-CD2 3.72Å; E211-F213 HydrophobicContact CG-CE1 4.29Å; E211-F213 HydrophobicContact CG-CE2 3.24Å; E211-F213 HydrophobicContact CG-CG 4.41Å; E211-F213 HydrophobicContact CG-CZ 3.57Å; E211-F213 WeakPolarHBondContact OE1-CE2 3.24Å; F213-R233 CarbonylContact O-C 3.58Å; F213-R233 WeakPolarHBondContact O-CA 3.37Å; F213-L234 HydrophobicContact CB-CB 4.4Å; F213-L234 HydrophobicContact CD1-CD1 4.24Å; F213-L234 PolarHBondContact O-N 3.06Å; F213-T236 WeakPolarHBondContact CD1-OG1 3.37Å | ||
| 214 | F | 84.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 90.3 Ų | 90.3 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 162.4 | -177.3 | 70 | -89.2 | 0 | 0 | 0 | 110.9 | Y180 P212 S232 R233 E245 | Y180-F214 VanDerWaalsContact CD1-C 3.49Å; Y180-F214 WeakPolarHBondContact CE1-O 3.45Å; P212-F214 HydrophobicContact CB-CD1 4.16Å; P212-F214 HydrophobicContact CB-CE1 3.97Å; P212-F214 HydrophobicContact CB-CZ 4.42Å; P212-F214 PolarHBondContact O-N 3.17Å; F214-S232 CarbonylContact C-O 3.53Å; F214-S232 VanDerWaalsContact CA-O 3.23Å; F214-S232 WeakPolarHBondContact CA-O 2.95Å; F214-R233 HydrophobicContact CB-CB 4.34Å; F214-R233 HydrophobicContact CB-CG 4.28Å; F214-E245 HydrophobicContact CB-CG 4.5Å; F214-E245 WeakPolarHBondContact CB-OE2 3.4Å; F214-E245 HydrophobicContact CD1-CG 4.38Å; F214-E245 HydrophobicContact CG-CG 4.33Å |
| 215 | K | 87 | Confident | 79.9 | Confident | 54 Ų | 54 | 85.1 Ų | 85.1 | 24% | 0.235 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 140.7 | 176.5 | -173 | 170.5 | 172.6 | 175.6 | 0 | 111.7 | R176 Q177 Y180 V231 S232 | R176-K215 PolarHBondContact O-NZ 3.48Å; Q177-K215 PolarHBondContact NE2-O 2.77Å; Y180-K215 HydrophobicContact CD1-CB 3.71Å; Y180-K215 HydrophobicContact CD2-CB 3.67Å; Y180-K215 HydrophobicContact CD2-CD 3.41Å; Y180-K215 VanDerWaalsContact CD2-CD 3.41Å; Y180-K215 HydrophobicContact CD2-CG 4.22Å; Y180-K215 HydrophobicContact CE1-CB 4Å; Y180-K215 HydrophobicContact CE2-CB 4.02Å; Y180-K215 HydrophobicContact CE2-CD 3.39Å; Y180-K215 HydrophobicContact CE2-CG 4.3Å; Y180-K215 HydrophobicContact CG-CB 3.51Å; Y180-K215 HydrophobicContact CG-CD 4.16Å; K215-V231 WeakPolarHBondContact O-CA 3.42Å; K215-S232 PolarHBondContact N-O 2.84Å; K215-S232 PolarHBondContact O-N 3.23Å |
| 216 | E | 89.4 | Confident | 81 | Confident | 60 Ų | 60 | 80.3 Ų | 80.3 | 28% | 0.28 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 141.6 | 177 | -179.2 | 179.9 | 176.4 | 0 | 0 | 109.8 | F229 K249 | E216-F229 HydrophobicContact CG-CE2 3.73Å; E216-F229 HydrophobicContact CG-CZ 4.23Å; E216-F229 WeakPolarHBondContact OE1-CE2 3.34Å; E216-K249 WeakPolarHBondContact OE2-CD 3.44Å; E216-K249 WeakPolarHBondContact OE2-CE 3.44Å; E216-K249 IonicContact OE2-NZ 2.62Å; E216-K249 PolarHBondContact OE2-NZ 2.99Å |
| 217 | L | 86.5 | Confident | 82.3 | Confident | 13 Ų | 13 | 81.7 Ų | 81.7 | 7% | 0.068 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 104.6 | 174.6 | 179.5 | 65.3 | 0 | 0 | 0 | 109.2 | K173 Q177 V220 V230 | K173-L217 HydrophobicContact CB-CD1 4.25Å; K173-L217 HydrophobicContact CB-CD2 4.22Å; Q177-L217 HydrophobicContact CB-CD2 3.97Å; Q177-L217 HydrophobicContact CG-CB 4.36Å; Q177-L217 HydrophobicContact CG-CD2 4.22Å; L217-V220 HydrophobicContact CD1-CG2 3.95Å; L217-V220 HydrophobicContact CD2-CG2 3.7Å; L217-V220 HydrophobicContact CG-CB 4.48Å; L217-V220 HydrophobicContact CG-CG2 3.83Å; L217-V230 HydrophobicContact CB-CB 4.27Å; L217-V230 PolarHBondContact N-O 3.37Å; L217-V230 PolarHBondContact O-N 3.27Å |
| 218 | D | 83.9 | Confident | 83.7 | Confident | 107 Ų | 107 | 74.7 Ų | 74.7 | 57% | 0.572 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.7 | -4 | -179.2 | 64.1 | -15.1 | 0 | 0 | 0 | 113 | F229 | D218-F229 HydrophobicContact CB-CD2 4.13Å |
| 219 | S | 84.6 | Confident | 85.1 | Confident | 70 Ų | 70 | 67.5 Ų | 67.5 | 49% | 0.49 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 20.5 | -176.1 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | K173 | K173-S219 PolarHBondContact NZ-O 2.84Å |
| 220 | V | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 138.6 | 173.4 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | D170 K173 L217 L228 | D170-V220 HydrophobicContact CB-CG1 4.29Å; D170-V220 HydrophobicContact CB-CG2 4.37Å; K173-V220 HydrophobicContact CB-CG2 3.88Å; K173-V220 HydrophobicContact CD-CG2 3.59Å; K173-V220 HydrophobicContact CG-CG2 4.43Å; L217-V220 HydrophobicContact CD1-CG2 3.95Å; L217-V220 HydrophobicContact CD2-CG2 3.7Å; L217-V220 HydrophobicContact CG-CB 4.48Å; L217-V220 HydrophobicContact CG-CG2 3.83Å; V220-L228 HydrophobicContact CG1-CD1 4.03Å; V220-L228 PolarHBondContact O-N 2.82Å |
| 221 | S | 94.5 | Very high | 87.4 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 27% | 0.266 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 159.5 | 167.5 | -58.6 | 0 | 0 | 0 | 0 | 108.3 | P167 T226 | P167-S221 WeakPolarHBondContact CD-O 3.37Å; S221-T226 CarbonylContact C-O 3.48Å; S221-T226 WeakPolarHBondContact CA-O 3.35Å; S221-T226 WeakPolarHBondContact CB-O 3.25Å |
| 222 | T | 95.2 | Very high | 88.3 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | trans | -65.7 | 171.2 | 165 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | D35 L164 S165 D224 G225 T226 L228 | D35-T222 VanDerWaalsContact CG-CB 3.48Å; D35-T222 WeakPolarHBondContact OD1-CB 3.41Å; D35-T222 PolarHBondContact OD1-OG1 2.8Å; D35-T222 WeakPolarHBondContact OD2-CB 3.09Å; D35-T222 PolarHBondContact OD2-OG1 3.42Å; L164-T222 HydrophobicContact CD2-CG2 4.07Å; S165-T222 CarbonylContact O-C 3.56Å; S165-T222 VanDerWaalsContact O-CA 3.28Å; S165-T222 WeakPolarHBondContact O-CA 3.45Å; S165-T222 WeakPolarHBondContact O-CB 3.19Å; T222-D224 VanDerWaalsContact C-N 3.29Å; T222-D224 PolarHBondContact O-N 3.45Å; T222-G225 PolarHBondContact O-N 3.32Å; T222-T226 PolarHBondContact N-O 2.81Å; T222-T226 WeakPolarHBondContact OG1-CA 3.13Å; T222-T226 WeakPolarHBondContact OG1-CB 3.45Å; T222-T226 PolarHBondContact OG1-N 3.29Å; T222-T226 PolarHBondContact OG1-O 2.89Å; T222-T226 PolarHBondContact OG1-OG1 2.87Å; T222-L228 HydrophobicContact CG2-CD1 4.11Å; T222-L228 HydrophobicContact CG2-CD2 3.97Å; T222-L228 HydrophobicContact CG2-CG 4.17Å | ||
| 223 | I | 93.9 | Very high | 88.6 | Confident | 58 Ų | 58 | 51.1 Ų | 51.1 | 30% | 0.297 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -33.4 | -173.7 | -166.6 | 158.8 | 0 | 0 | 0 | 113 | D35 K131 S165 G225 | D35-I223 WeakPolarHBondContact OD1-CG2 3.26Å; D35-I223 PolarHBondContact OD1-N 3.28Å; K131-I223 HydrophobicContact CB-CD1 4.08Å; S165-I223 PolarHBondContact O-N 3.49Å; I223-G225 VanDerWaalsContact C-N 3.33Å |
| 224 | D | 92.8 | Very high | 88.6 | Confident | 128 Ų | 128 | 49 Ų | 49 | 68% | 0.684 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 10.4 | 176 | -61.3 | -25 | 0 | 0 | 0 | 112.8 | D35 T222 | D35-D224 HydrophobicContact CB-CB 3.99Å; D35-D224 PolarHBondContact OD1-N 2.83Å; T222-D224 VanDerWaalsContact C-N 3.29Å; T222-D224 PolarHBondContact O-N 3.45Å |
| 225 | G | 91.2 | Very high | 88.1 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 47% | 0.474 | 26% | 0.264 | S | S | . | . | trans | 95.5 | 12.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | T222 I223 K227 | T222-G225 PolarHBondContact O-N 3.32Å; I223-G225 VanDerWaalsContact C-N 3.33Å; G225-K227 PolarHBondContact O-N 2.95Å; G225-K227 VanDerWaalsContact O-N 3.17Å | ||
| 226 | T | 90.3 | Very high | 87.6 | Confident | 55 Ų | 55 | 48.9 Ų | 48.9 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | trans | -65.3 | 114.3 | 170.3 | -54.4 | 0 | 0 | 0 | 0 | 109.1 | D35 W36 S221 T222 L228 | D35-T226 PolarHBondContact OD2-OG1 2.93Å; W36-T226 PolarHBondContact NE1-OG1 2.94Å; W36-T226 VanDerWaalsContact NE1-OG1 3.07Å; S221-T226 CarbonylContact C-O 3.48Å; S221-T226 WeakPolarHBondContact CA-O 3.35Å; S221-T226 WeakPolarHBondContact CB-O 3.25Å; T222-T226 PolarHBondContact N-O 2.81Å; T222-T226 WeakPolarHBondContact OG1-CA 3.13Å; T222-T226 WeakPolarHBondContact OG1-CB 3.45Å; T222-T226 PolarHBondContact OG1-N 3.29Å; T222-T226 PolarHBondContact OG1-O 2.89Å; T222-T226 PolarHBondContact OG1-OG1 2.87Å; T226-L228 PolarHBondContact O-N 3.23Å | ||
| 227 | K | 90.5 | Very high | 86.8 | Confident | 181 Ų | 181 | 46 Ų | 46 | 79% | 0.787 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 130.3 | -178.5 | -66.4 | -176.4 | -179 | -179.9 | 0 | 110.9 | G225 | G225-K227 PolarHBondContact O-N 2.95Å; G225-K227 VanDerWaalsContact O-N 3.17Å |
| 228 | L | 89.9 | Confident | 86.3 | Confident | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 131.5 | 178.6 | -57.7 | -177.4 | 0 | 0 | 0 | 110.3 | L164 I166 V220 T222 T226 V230 | L164-L228 HydrophobicContact CD1-CD1 3.84Å; L164-L228 HydrophobicContact CD2-CD1 4.44Å; L164-L228 HydrophobicContact CD2-CD2 4.06Å; I166-L228 HydrophobicContact CG2-CD1 4.29Å; V220-L228 HydrophobicContact CG1-CD1 4.03Å; V220-L228 PolarHBondContact O-N 2.82Å; T222-L228 HydrophobicContact CG2-CD1 4.11Å; T222-L228 HydrophobicContact CG2-CD2 3.97Å; T222-L228 HydrophobicContact CG2-CG 4.17Å; T226-L228 PolarHBondContact O-N 3.23Å; L228-V230 HydrophobicContact CB-CG2 4.33Å |
| 229 | F | 89.1 | Confident | 86 | Confident | 51 Ų | 51 | 50.6 Ų | 50.6 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.1 | 170.5 | -179.6 | -107.4 | 0 | 0 | 0 | 109.1 | E216 D218 V231 L246 K249 A250 | E216-F229 HydrophobicContact CG-CE2 3.73Å; E216-F229 HydrophobicContact CG-CZ 4.23Å; E216-F229 WeakPolarHBondContact OE1-CE2 3.34Å; D218-F229 HydrophobicContact CB-CD2 4.13Å; F229-V231 HydrophobicContact CD1-CG2 4.25Å; F229-V231 HydrophobicContact CE1-CG2 3.43Å; F229-V231 VanDerWaalsContact CE1-CG2 3.43Å; F229-V231 HydrophobicContact CE2-CG2 4.4Å; F229-V231 HydrophobicContact CZ-CG2 3.5Å; F229-L246 HydrophobicContact CE1-CD1 4.09Å; F229-K249 HydrophobicContact CZ-CB 3.73Å; F229-A250 HydrophobicContact CD1-CB 4.24Å; F229-A250 HydrophobicContact CE1-CB 3.75Å; F229-A250 HydrophobicContact CZ-CB 4.38Å |
| 230 | V | 88.7 | Confident | 85.8 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.2 | -174.3 | -172.9 | 0 | 0 | 0 | 0 | 110.1 | W135 Q177 L217 L228 | W135-V230 HydrophobicContact CH2-CG1 4Å; W135-V230 HydrophobicContact CH2-CG2 3.94Å; W135-V230 HydrophobicContact CZ3-CG2 4.1Å; Q177-V230 HydrophobicContact CG-CB 4.46Å; Q177-V230 HydrophobicContact CG-CG1 3.71Å; Q177-V230 PolarHBondContact NE2-O 3.18Å; L217-V230 HydrophobicContact CB-CB 4.27Å; L217-V230 PolarHBondContact N-O 3.37Å; L217-V230 PolarHBondContact O-N 3.27Å; L228-V230 HydrophobicContact CB-CG2 4.33Å |
| 231 | V | 87.5 | Confident | 85.4 | Confident | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.115 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.8 | 173.6 | -172 | 0 | 0 | 0 | 0 | 108.5 | K215 F229 F241 L246 | K215-V231 WeakPolarHBondContact O-CA 3.42Å; F229-V231 HydrophobicContact CD1-CG2 4.25Å; F229-V231 HydrophobicContact CE1-CG2 3.43Å; F229-V231 VanDerWaalsContact CE1-CG2 3.43Å; F229-V231 HydrophobicContact CE2-CG2 4.4Å; F229-V231 HydrophobicContact CZ-CG2 3.5Å; V231-F241 HydrophobicContact CB-CE2 4.23Å; V231-F241 HydrophobicContact CB-CZ 4.17Å; V231-F241 HydrophobicContact CG1-CE2 3.83Å; V231-F241 HydrophobicContact CG1-CZ 4.25Å; V231-L246 HydrophobicContact CG2-CD1 4.17Å |
| 232 | S | 86.6 | Confident | 84.8 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.8 | 179.4 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | Q177 F214 K215 | Q177-S232 WeakPolarHBondContact CG-OG 3.27Å; Q177-S232 PolarHBondContact NE2-OG 2.84Å; F214-S232 CarbonylContact C-O 3.53Å; F214-S232 VanDerWaalsContact CA-O 3.23Å; F214-S232 WeakPolarHBondContact CA-O 2.95Å; K215-S232 PolarHBondContact N-O 2.84Å; K215-S232 PolarHBondContact O-N 3.23Å |
| 233 | R | 84.2 | Confident | 84.3 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 137.3 | -172.2 | -174.1 | -170.3 | 68 | 163.4 | -6.3 | 111.9 | Y180 F213 F214 T239 F241 E245 F373 | Y180-R233 CarbonylContact O-C 2.76Å; F213-R233 CarbonylContact O-C 3.58Å; F213-R233 WeakPolarHBondContact O-CA 3.37Å; F214-R233 HydrophobicContact CB-CB 4.34Å; F214-R233 HydrophobicContact CB-CG 4.28Å; R233-T239 PolarHBondContact NH1-O 2.88Å; R233-F241 HydrophobicContact CB-CD2 3.97Å; R233-F241 HydrophobicContact CB-CE2 4.27Å; R233-E245 WeakPolarHBondContact CB-OE2 3.44Å; R233-E245 VanDerWaalsContact CD-CD 3.43Å; R233-E245 WeakPolarHBondContact CD-OE1 3.43Å; R233-E245 WeakPolarHBondContact CD-OE2 3.49Å; R233-E245 WeakPolarHBondContact CG-OE2 3.27Å; R233-F373 HydrophobicContact CB-CE2 4.28Å; R233-F373 HydrophobicContact CB-CZ 4.21Å; R233-F373 WeakPolarHBondContact O-CZ 3.21Å |
| 234 | L | 81.2 | Confident | 83.9 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | trans | -72.4 | 142.5 | 176.1 | -67.9 | 168.3 | 0 | 0 | 0 | 109.9 | Y180 D182 T209 F213 T236 G237 | Y180-L234 HydrophobicContact CD1-CD1 4.41Å; Y180-L234 HydrophobicContact CD1-CG 4.4Å; Y180-L234 VanDerWaalsContact O-CA 3.22Å; Y180-L234 WeakPolarHBondContact O-CA 3.37Å; Y180-L234 WeakPolarHBondContact O-CD2 3.34Å; Y180-L234 WeakPolarHBondContact O-CG 3.21Å; Y180-L234 PolarHBondContact O-N 2.96Å; D182-L234 HydrophobicContact CB-CD2 3.82Å; T209-L234 HydrophobicContact CG2-CD1 4.23Å; T209-L234 WeakPolarHBondContact OG1-CD1 3.31Å; F213-L234 HydrophobicContact CB-CB 4.4Å; F213-L234 HydrophobicContact CD1-CD1 4.24Å; F213-L234 PolarHBondContact O-N 3.06Å; L234-T236 PolarHBondContact O-N 2.78Å; L234-G237 PolarHBondContact O-N 2.98Å | ||
| 235 | A | 74.3 | Confident | 83.6 | Confident | 31 Ų | 31 | 40.7 Ų | 40.7 | 26% | 0.256 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -18.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K118 G237 | K118-A235 HydrophobicContact CB-CB 4.26Å; K118-A235 WeakPolarHBondContact O-CB 3.25Å; A235-G237 VanDerWaalsContact C-N 3.3Å |
| 236 | T | 75.4 | Confident | 83.3 | Confident | 86 Ų | 86 | 38.8 Ų | 38.8 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -13.7 | 175 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | F213 L234 | F213-T236 WeakPolarHBondContact CD1-OG1 3.37Å; L234-T236 PolarHBondContact O-N 2.78Å |
| 237 | G | 73.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | trans | -63 | 134.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | L234 A235 S378 | L234-G237 PolarHBondContact O-N 2.98Å; A235-G237 VanDerWaalsContact C-N 3.3Å; G237-S378 PolarHBondContact O-OG 2.67Å | ||
| 238 | K | 75.6 | Confident | 83 | Confident | 163 Ų | 163 | 30 Ų | 30 | 71% | 0.709 | 16% | 0.164 | S | C | * | . | trans | -105.6 | 3.2 | -175.4 | -63.5 | -176.3 | 179.8 | 177.8 | 0 | 114.2 | ||||
| 239 | T | 78.6 | Confident | 82.9 | Confident | 53 Ų | 53 | 32.8 Ų | 32.8 | 33% | 0.325 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -80.9 | 164 | -178 | 39.7 | 0 | 0 | 0 | 0 | 112.3 | R233 F241 D244 E245 | R233-T239 PolarHBondContact NH1-O 2.88Å; T239-F241 PolarHBondContact O-N 3.49Å; T239-D244 WeakPolarHBondContact CA-OD2 3.37Å; T239-D244 WeakPolarHBondContact CB-OD2 3.25Å; T239-D244 HydrophobicContact CG2-CB 4.13Å; T239-E245 PolarHBondContact OG1-OE1 2.79Å |
| 240 | D | 79.3 | Confident | 82.7 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 4% | 0.037 | 17% | 0.166 | C | C | . | . | trans | -73.4 | 110 | 161.9 | -172 | -25 | 0 | 0 | 0 | 108 | Y242 A243 D244 M267 R375 | D240-Y242 PolarHBondContact O-N 2.59Å; D240-Y242 VanDerWaalsContact O-N 3.15Å; D240-Y242 PolarHBondContact OD1-N 3.34Å; D240-A243 HydrophobicContact CB-CB 3.9Å; D240-A243 PolarHBondContact O-N 3.21Å; D240-A243 PolarHBondContact OD1-N 3Å; D240-A243 WeakPolarHBondContact OD2-CB 3.25Å; D240-D244 PolarHBondContact N-OD2 2.91Å; D240-D244 WeakPolarHBondContact O-CA 3.29Å; D240-D244 VanDerWaalsContact O-CB 3.26Å; D240-D244 WeakPolarHBondContact O-CB 3.24Å; D240-D244 PolarHBondContact O-N 2.94Å; D240-M267 HydrophobicContact CB-CE 3.42Å; D240-M267 VanDerWaalsContact CB-CE 3.42Å; D240-M267 HydrophobicContact CB-SD 3.96Å; D240-M267 VanDerWaalsContact CG-SD 3.57Å; D240-M267 WeakPolarHBondContact OD2-CE 3.3Å; D240-R375 IonicContact OD1-NE 3.42Å; D240-R375 IonicContact OD2-CZ 3.95Å; D240-R375 IonicContact OD2-NE 2.69Å; D240-R375 PolarHBondContact OD2-NE 2.82Å; D240-R375 IonicContact OD2-NH2 3.57Å; D240-R375 PolarHBondContact OD2-NH2 2.77Å | ||
| 241 | F | 80.3 | Confident | 82.7 | Confident | 10 Ų | 10 | 36 Ų | 36 | 4% | 0.044 | 19% | 0.188 | C | C | . | . | I | π-helix | trans | -51.9 | -40.9 | 178.4 | 173.5 | -101.5 | 0 | 0 | 0 | 111.8 | V231 R233 T239 E245 L246 F373 | V231-F241 HydrophobicContact CB-CE2 4.23Å; V231-F241 HydrophobicContact CB-CZ 4.17Å; V231-F241 HydrophobicContact CG1-CE2 3.83Å; V231-F241 HydrophobicContact CG1-CZ 4.25Å; R233-F241 HydrophobicContact CB-CD2 3.97Å; R233-F241 HydrophobicContact CB-CE2 4.27Å; T239-F241 PolarHBondContact O-N 3.49Å; F241-E245 WeakPolarHBondContact CD2-OE2 3.44Å; F241-E245 WeakPolarHBondContact O-CB 2.93Å; F241-E245 PolarHBondContact O-N 2.91Å; F241-L246 HydrophobicContact CE1-CB 4.31Å; F241-L246 HydrophobicContact CE1-CD2 4.44Å; F241-L246 PolarHBondContact O-N 2.92Å; F241-F373 HydrophobicContact CB-CD2 4.49Å; F241-F373 HydrophobicContact CD1-CB 4.46Å; F241-F373 HydrophobicContact CD1-CD2 4.05Å; F241-F373 HydrophobicContact CD2-CD2 4.01Å; F241-F373 HydrophobicContact CD2-CE2 4.17Å; F241-F373 HydrophobicContact CE1-CD2 4.26Å; F241-F373 HydrophobicContact CE2-CD2 4.21Å; F241-F373 HydrophobicContact CE2-CE2 4.23Å; F241-F373 AromaticContact CG-CD2 3.91Å; F241-F373 HydrophobicContact CG-CD2 3.91Å; F241-F373 HydrophobicContact CG-CG 4.41Å; F241-F373 HydrophobicContact CZ-CD2 4.34Å |
| 242 | Y | 82.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | I | π-helix | trans | -77.3 | -48.6 | -176.1 | -61.6 | -93.2 | 0 | 0 | 0 | 111.4 | D240 L246 A247 V256 A359 T371 F373 R375 | D240-Y242 PolarHBondContact O-N 2.59Å; D240-Y242 VanDerWaalsContact O-N 3.15Å; D240-Y242 PolarHBondContact OD1-N 3.34Å; Y242-L246 HydrophobicContact CD1-CD2 3.98Å; Y242-A247 VanDerWaalsContact O-CB 3.22Å; Y242-A247 WeakPolarHBondContact O-CB 3.3Å; Y242-A247 PolarHBondContact O-N 2.72Å; Y242-V256 HydrophobicContact CD1-CB 4.42Å; Y242-V256 HydrophobicContact CD1-CG1 4.11Å; Y242-V256 HydrophobicContact CD1-CG2 3.4Å; Y242-V256 HydrophobicContact CD2-CG1 4.44Å; Y242-V256 HydrophobicContact CD2-CG2 4.42Å; Y242-V256 HydrophobicContact CE1-CB 4.34Å; Y242-V256 HydrophobicContact CE1-CG1 3.62Å; Y242-V256 HydrophobicContact CE1-CG2 3.74Å; Y242-V256 HydrophobicContact CE2-CG1 4.03Å; Y242-V256 HydrophobicContact CG-CG1 4.45Å; Y242-V256 HydrophobicContact CG-CG2 3.73Å; Y242-A359 HydrophobicContact CD1-CB 3.97Å; Y242-A359 HydrophobicContact CE1-CB 3.82Å; Y242-T371 HydrophobicContact CE1-CG2 3.55Å; Y242-T371 VanDerWaalsContact CZ-CG2 3.49Å; Y242-T371 WeakPolarHBondContact OH-CG2 3.26Å; Y242-F373 WeakPolarHBondContact CE2-O 3.34Å; Y242-F373 PolarHBondContact OH-O 2.87Å; Y242-R375 HydrophobicContact CD2-CB 3.87Å; Y242-R375 HydrophobicContact CD2-CG 3.71Å; Y242-R375 HydrophobicContact CE2-CB 3.69Å; Y242-R375 HydrophobicContact CE2-CG 4.08Å |
| 243 | A | 84.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.025 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -84.3 | -29.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D240 P248 T270 R273 V277 | D240-A243 HydrophobicContact CB-CB 3.9Å; D240-A243 PolarHBondContact O-N 3.21Å; D240-A243 PolarHBondContact OD1-N 3Å; D240-A243 WeakPolarHBondContact OD2-CB 3.25Å; A243-P248 WeakPolarHBondContact O-CD 3.46Å; A243-P248 WeakPolarHBondContact O-CG 3.45Å; A243-T270 HydrophobicContact CB-CG2 4.37Å; A243-R273 PolarHBondContact O-NH1 3.08Å; A243-V277 HydrophobicContact CB-CB 4.06Å; A243-V277 HydrophobicContact CB-CG2 3.95Å |
| 244 | D | 85.4 | Confident | 82.8 | Confident | 60 Ų | 60 | 34.7 Ų | 34.7 | 32% | 0.321 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -98.4 | -24.9 | -178 | -59.7 | -37.8 | 0 | 0 | 0 | 112.6 | T239 D240 R273 | T239-D244 WeakPolarHBondContact CA-OD2 3.37Å; T239-D244 WeakPolarHBondContact CB-OD2 3.25Å; T239-D244 HydrophobicContact CG2-CB 4.13Å; D240-D244 PolarHBondContact N-OD2 2.91Å; D240-D244 WeakPolarHBondContact O-CA 3.29Å; D240-D244 VanDerWaalsContact O-CB 3.26Å; D240-D244 WeakPolarHBondContact O-CB 3.24Å; D240-D244 PolarHBondContact O-N 2.94Å; D244-R273 IonicContact OD1-CZ 3.09Å; D244-R273 VanDerWaalsContact OD1-CZ 3.22Å; D244-R273 IonicContact OD1-NH1 2.77Å; D244-R273 PolarHBondContact OD1-NH1 2.87Å; D244-R273 IonicContact OD1-NH2 2.75Å; D244-R273 PolarHBondContact OD1-NH2 2.87Å |
| 245 | E | 85.2 | Confident | 82.9 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.033 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -117.9 | -62.3 | -174.8 | -56.6 | 171.6 | -161.2 | 0 | 0 | 112.5 | F214 R233 T239 F241 K249 | F214-E245 HydrophobicContact CB-CG 4.5Å; F214-E245 WeakPolarHBondContact CB-OE2 3.4Å; F214-E245 HydrophobicContact CD1-CG 4.38Å; F214-E245 HydrophobicContact CG-CG 4.33Å; R233-E245 WeakPolarHBondContact CB-OE2 3.44Å; R233-E245 VanDerWaalsContact CD-CD 3.43Å; R233-E245 WeakPolarHBondContact CD-OE1 3.43Å; R233-E245 WeakPolarHBondContact CD-OE2 3.49Å; R233-E245 WeakPolarHBondContact CG-OE2 3.27Å; T239-E245 PolarHBondContact OG1-OE1 2.79Å; F241-E245 WeakPolarHBondContact CD2-OE2 3.44Å; F241-E245 WeakPolarHBondContact O-CB 2.93Å; F241-E245 PolarHBondContact O-N 2.91Å; E245-K249 VanDerWaalsContact O-CB 3.29Å; E245-K249 WeakPolarHBondContact O-CB 3.37Å; E245-K249 WeakPolarHBondContact O-CG 3.41Å; E245-K249 PolarHBondContact O-N 3.33Å |
| 246 | L | 85.8 | Confident | 83.2 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -62.8 | -57.2 | -174.9 | -177.8 | 66.6 | 0 | 0 | 0 | 112.4 | F229 V231 F241 Y242 K249 A250 F254 A359 C369 | F229-L246 HydrophobicContact CE1-CD1 4.09Å; V231-L246 HydrophobicContact CG2-CD1 4.17Å; F241-L246 HydrophobicContact CE1-CB 4.31Å; F241-L246 HydrophobicContact CE1-CD2 4.44Å; F241-L246 PolarHBondContact O-N 2.92Å; Y242-L246 HydrophobicContact CD1-CD2 3.98Å; L246-K249 PolarHBondContact O-N 3.42Å; L246-A250 VanDerWaalsContact O-CB 3.3Å; L246-A250 WeakPolarHBondContact O-CB 3.2Å; L246-A250 PolarHBondContact O-N 3.19Å; L246-F254 HydrophobicContact CD2-CD1 4.45Å; L246-F254 HydrophobicContact CD2-CD2 4.38Å; L246-F254 HydrophobicContact CD2-CE1 4.38Å; L246-F254 HydrophobicContact CD2-CE2 4.33Å; L246-F254 HydrophobicContact CD2-CG 4.44Å; L246-F254 HydrophobicContact CD2-CZ 4.32Å; L246-F254 HydrophobicContact CG-CD2 4.41Å; L246-F254 HydrophobicContact CG-CE2 4.04Å; L246-F254 HydrophobicContact CG-CZ 4.2Å; L246-A359 HydrophobicContact CD2-CB 4.06Å; L246-C369 HydrophobicContact CD2-CB 4.28Å |
| 247 | A | 87.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -45.5 | -174 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y242 K249 K251 S252 F254 V277 | Y242-A247 VanDerWaalsContact O-CB 3.22Å; Y242-A247 WeakPolarHBondContact O-CB 3.3Å; Y242-A247 PolarHBondContact O-N 2.72Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.37Å; A247-K251 WeakPolarHBondContact O-CA 3.48Å; A247-K251 PolarHBondContact O-N 3.42Å; A247-S252 WeakPolarHBondContact CA-O 3.42Å; A247-S252 WeakPolarHBondContact CB-O 3.43Å; A247-S252 PolarHBondContact O-N 3.27Å; A247-F254 HydrophobicContact CB-CD2 3.92Å; A247-F254 HydrophobicContact CB-CE2 4.37Å; A247-V277 HydrophobicContact CB-CG2 3.59Å |
| 248 | P | 87.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 30.5 Ų | 30.5 | 34% | 0.338 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -63 | -36.2 | 175.4 | -25.6 | 37.6 | 0 | 0 | 0 | 114.2 | A243 K251 | A243-P248 WeakPolarHBondContact O-CD 3.46Å; A243-P248 WeakPolarHBondContact O-CG 3.45Å; P248-K251 PolarHBondContact O-N 3.33Å |
| 249 | K | 86.8 | Confident | 82.9 | Confident | 83 Ų | 83 | 25 Ų | 25 | 36% | 0.361 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -80.7 | -44.1 | -176.2 | -65 | -57.8 | -157.9 | 134.8 | 0 | 112.9 | E216 F229 E245 L246 A247 K251 | E216-K249 WeakPolarHBondContact OE2-CD 3.44Å; E216-K249 WeakPolarHBondContact OE2-CE 3.44Å; E216-K249 IonicContact OE2-NZ 2.62Å; E216-K249 PolarHBondContact OE2-NZ 2.99Å; F229-K249 HydrophobicContact CZ-CB 3.73Å; E245-K249 VanDerWaalsContact O-CB 3.29Å; E245-K249 WeakPolarHBondContact O-CB 3.37Å; E245-K249 WeakPolarHBondContact O-CG 3.41Å; E245-K249 PolarHBondContact O-N 3.33Å; L246-K249 PolarHBondContact O-N 3.42Å; A247-K249 VanDerWaalsContact C-N 3.34Å; A247-K249 PolarHBondContact O-N 3.37Å; K249-K251 PolarHBondContact O-N 3.3Å |
| 250 | A | 85.7 | Confident | 82.1 | Confident | 5 Ų | 5 | 25.8 Ų | 25.8 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.1 | -10.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F229 L246 S252 F254 | F229-A250 HydrophobicContact CD1-CB 4.24Å; F229-A250 HydrophobicContact CE1-CB 3.75Å; F229-A250 HydrophobicContact CZ-CB 4.38Å; L246-A250 VanDerWaalsContact O-CB 3.3Å; L246-A250 WeakPolarHBondContact O-CB 3.2Å; L246-A250 PolarHBondContact O-N 3.19Å; A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.16Å; A250-F254 HydrophobicContact CB-CE2 3.8Å; A250-F254 HydrophobicContact CB-CZ 3.77Å |
| 251 | K | 88 | Confident | 80.9 | Confident | 136 Ų | 136 | 28.7 Ų | 28.7 | 59% | 0.591 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 34.7 | -176 | -60.4 | 175.3 | -175.1 | 169.5 | 0 | 112.5 | A247 P248 K249 Y275 | A247-K251 WeakPolarHBondContact O-CA 3.48Å; A247-K251 PolarHBondContact O-N 3.42Å; P248-K251 PolarHBondContact O-N 3.33Å; K249-K251 PolarHBondContact O-N 3.3Å; K251-Y275 VanDerWaalsContact C-CD1 3.49Å; K251-Y275 VanDerWaalsContact CA-CZ 3.47Å; K251-Y275 HydrophobicContact CB-CE1 4.12Å; K251-Y275 HydrophobicContact CB-CE2 4.38Å; K251-Y275 WeakPolarHBondContact CB-OH 3.36Å; K251-Y275 WeakPolarHBondContact O-CD1 3.37Å; K251-Y275 WeakPolarHBondContact O-CE1 3.04Å |
| 252 | S | 87 | Confident | 79.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -135.2 | 151.8 | -175.7 | -172.2 | 0 | 0 | 0 | 0 | 112.1 | A247 A250 F254 S361 N363 | A247-S252 WeakPolarHBondContact CA-O 3.42Å; A247-S252 WeakPolarHBondContact CB-O 3.43Å; A247-S252 PolarHBondContact O-N 3.27Å; A250-S252 PolarHBondContact O-N 3.34Å; A250-S252 VanDerWaalsContact O-N 3.16Å; S252-F254 VanDerWaalsContact O-CD2 3.31Å; S252-F254 WeakPolarHBondContact O-CD2 3.22Å; S252-F254 WeakPolarHBondContact O-CE2 3.42Å; S252-S361 PolarHBondContact OG-OG 2.85Å; S252-N363 WeakPolarHBondContact OG-CB 3.46Å; S252-N363 VanDerWaalsContact OG-CG 3.27Å; S252-N363 PolarHBondContact OG-ND2 3.17Å |
| 253 | S | 88.2 | Confident | 77.6 | Confident | 16 Ų | 16 | 42.4 Ų | 42.4 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | trans | -86.3 | 138 | 171.9 | -60.2 | 0 | 0 | 0 | 0 | 109.8 | K276 S361 R362 | S253-K276 CarbonylContact C-O 3.48Å; S253-K276 WeakPolarHBondContact CA-O 3.22Å; S253-K276 VanDerWaalsContact CB-O 3.3Å; S253-K276 WeakPolarHBondContact CB-O 3.46Å; S253-K276 PolarHBondContact OG-N 2.84Å; S253-S361 CarbonylContact O-C 3.54Å; S253-S361 WeakPolarHBondContact O-CA 2.9Å; S253-R362 PolarHBondContact O-N 2.87Å | ||
| 254 | F | 85.8 | Confident | 76.2 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 143.4 | -176 | -70.3 | -87.5 | 0 | 0 | 0 | 112.3 | L246 A247 A250 S252 K276 V277 E278 A359 L360 | L246-F254 HydrophobicContact CD2-CD1 4.45Å; L246-F254 HydrophobicContact CD2-CD2 4.38Å; L246-F254 HydrophobicContact CD2-CE1 4.38Å; L246-F254 HydrophobicContact CD2-CE2 4.33Å; L246-F254 HydrophobicContact CD2-CG 4.44Å; L246-F254 HydrophobicContact CD2-CZ 4.32Å; L246-F254 HydrophobicContact CG-CD2 4.41Å; L246-F254 HydrophobicContact CG-CE2 4.04Å; L246-F254 HydrophobicContact CG-CZ 4.2Å; A247-F254 HydrophobicContact CB-CD2 3.92Å; A247-F254 HydrophobicContact CB-CE2 4.37Å; A250-F254 HydrophobicContact CB-CE2 3.8Å; A250-F254 HydrophobicContact CB-CZ 3.77Å; S252-F254 VanDerWaalsContact O-CD2 3.31Å; S252-F254 WeakPolarHBondContact O-CD2 3.22Å; S252-F254 WeakPolarHBondContact O-CE2 3.42Å; F254-K276 PolarHBondContact N-O 2.88Å; F254-V277 WeakPolarHBondContact O-CA 2.94Å; F254-E278 PolarHBondContact O-N 3.33Å; F254-A359 HydrophobicContact CB-CB 4.26Å; F254-A359 HydrophobicContact CD1-CB 3.77Å; F254-A359 HydrophobicContact CG-CB 4.27Å; F254-L360 CarbonylContact C-O 3.51Å; F254-L360 WeakPolarHBondContact CA-O 3.48Å |
| 255 | V | 82.9 | Confident | 74.8 | Confident | 27 Ų | 27 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.9 | 162.8 | 173.4 | 0 | 0 | 0 | 0 | 107.1 | E278 L280 A359 L360 R362 | V255-E278 CarbonylContact C-O 3.43Å; V255-E278 WeakPolarHBondContact CA-O 3.03Å; V255-L280 HydrophobicContact CG1-CB 3.56Å; V255-L280 HydrophobicContact CG1-CD1 4.34Å; V255-L280 HydrophobicContact CG1-CD2 4.41Å; V255-L280 HydrophobicContact CG1-CG 4.33Å; V255-A359 WeakPolarHBondContact O-CA 3.12Å; V255-L360 PolarHBondContact N-O 2.79Å; V255-L360 PolarHBondContact O-N 3.03Å; V255-R362 HydrophobicContact CG2-CG 3.63Å |
| 256 | V | 79.9 | Confident | 73.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 112.4 | -176.8 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | Y242 A258 V277 E278 N279 L280 W358 A359 R375 | Y242-V256 HydrophobicContact CD1-CB 4.42Å; Y242-V256 HydrophobicContact CD1-CG1 4.11Å; Y242-V256 HydrophobicContact CD1-CG2 3.4Å; Y242-V256 HydrophobicContact CD2-CG1 4.44Å; Y242-V256 HydrophobicContact CD2-CG2 4.42Å; Y242-V256 HydrophobicContact CE1-CB 4.34Å; Y242-V256 HydrophobicContact CE1-CG1 3.62Å; Y242-V256 HydrophobicContact CE1-CG2 3.74Å; Y242-V256 HydrophobicContact CE2-CG1 4.03Å; Y242-V256 HydrophobicContact CG-CG1 4.45Å; Y242-V256 HydrophobicContact CG-CG2 3.73Å; V256-A258 HydrophobicContact CG1-CB 4.07Å; V256-V277 HydrophobicContact CG2-CG1 3.58Å; V256-E278 PolarHBondContact N-O 3.32Å; V256-N279 CarbonylContact O-C 2.93Å; V256-N279 WeakPolarHBondContact O-CA 3.35Å; V256-L280 PolarHBondContact O-N 3.14Å; V256-W358 CarbonylContact C-O 3.57Å; V256-W358 WeakPolarHBondContact CA-O 3.24Å; V256-A359 HydrophobicContact CG2-CB 4.3Å; V256-R375 HydrophobicContact CG1-CB 4.34Å |
| 257 | W | 77.7 | Confident | 73 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 126.4 | 163.9 | -163.5 | 55 | 0 | 0 | 0 | 106 | L280 N282 V284 V349 Y350 N351 A356 S357 W358 | W257-L280 HydrophobicContact CB-CB 4.24Å; W257-L280 HydrophobicContact CB-CD2 4.29Å; W257-L280 HydrophobicContact CG-CB 4.47Å; W257-L280 HydrophobicContact CG-CD2 4.16Å; W257-N282 PolarHBondContact NE1-O 3.04Å; W257-V284 HydrophobicContact CD2-CG2 3.7Å; W257-V284 HydrophobicContact CE3-CG2 4.16Å; W257-V284 HydrophobicContact CG-CG2 3.96Å; W257-V284 HydrophobicContact CZ2-CB 4.28Å; W257-V284 HydrophobicContact CZ2-CG2 4.13Å; W257-V349 HydrophobicContact CH2-CB 3.76Å; W257-V349 HydrophobicContact CH2-CG1 3.55Å; W257-V349 HydrophobicContact CZ2-CB 4.17Å; W257-V349 HydrophobicContact CZ2-CG1 4.2Å; W257-V349 VanDerWaalsContact CZ2-O 3.28Å; W257-V349 WeakPolarHBondContact CZ2-O 3.42Å; W257-Y350 WeakPolarHBondContact CZ2-O 3.42Å; W257-N351 HydrophobicContact CG-CB 4.46Å; W257-N351 HydrophobicContact CZ2-CB 4.43Å; W257-A356 CarbonylContact C-O 3.45Å; W257-A356 HydrophobicContact CD2-CB 4.08Å; W257-A356 HydrophobicContact CE3-CB 3.89Å; W257-A356 VanDerWaalsContact CE3-O 3.32Å; W257-A356 HydrophobicContact CH2-CB 4.01Å; W257-A356 HydrophobicContact CZ2-CB 4.21Å; W257-A356 HydrophobicContact CZ3-CB 3.87Å; W257-S357 CarbonylContact O-C 3.58Å; W257-S357 WeakPolarHBondContact O-CA 2.9Å; W257-W358 HydrophobicContact CB-CB 4.28Å; W257-W358 HydrophobicContact CE3-CB 4.28Å; W257-W358 AromaticContact CE3-CD2 3.57Å; W257-W358 HydrophobicContact CE3-CD2 3.57Å; W257-W358 AromaticContact CE3-CE2 3.81Å; W257-W358 HydrophobicContact CE3-CE3 4.01Å; W257-W358 AromaticContact CE3-CG 3.72Å; W257-W358 HydrophobicContact CE3-CG 3.72Å; W257-W358 HydrophobicContact CE3-CZ2 4.44Å; W257-W358 AromaticContact CE3-NE1 3.98Å; W257-W358 AromaticContact CZ3-CD2 3.78Å; W257-W358 HydrophobicContact CZ3-CD2 3.78Å; W257-W358 AromaticContact CZ3-CE2 3.52Å; W257-W358 HydrophobicContact CZ3-CE3 4.21Å; W257-W358 HydrophobicContact CZ3-CG 4.25Å; W257-W358 HydrophobicContact CZ3-CH2 4.24Å; W257-W358 AromaticContact CZ3-CZ2 3.78Å; W257-W358 HydrophobicContact CZ3-CZ2 3.78Å; W257-W358 HydrophobicContact CZ3-CZ3 4.43Å; W257-W358 AromaticContact CZ3-NE1 3.79Å; W257-W358 PolarHBondContact N-O 2.66Å; W257-W358 PolarHBondContact O-N 2.94Å; W257-W358 VanDerWaalsContact O-O 3.04Å |
| 258 | A | 71.8 | Confident | 72.3 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 8% | 0.083 | 31% | 0.308 | C | S | . | . | trans | -156.6 | 158.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | V256 L260 A356 | V256-A258 HydrophobicContact CG1-CB 4.07Å; A258-L260 PolarHBondContact O-N 3Å; A258-A356 WeakPolarHBondContact CA-O 2.79Å; A258-A356 PolarHBondContact N-O 2.83Å | ||
| 259 | K | 69.6 | Low | 72 | Confident | 49 Ų | 49 | 63.5 Ų | 63.5 | 21% | 0.213 | 31% | 0.311 | C | S | . | . | trans | -59.1 | 119.2 | -179.9 | -167 | 178.4 | -169.4 | 161.8 | 0 | 111.3 | T261 N351 E352 D354 | K259-T261 WeakPolarHBondContact CD-OG1 3.41Å; K259-T261 WeakPolarHBondContact CE-OG1 3.41Å; K259-T261 HydrophobicContact CG-CG2 4.41Å; K259-T261 WeakPolarHBondContact CG-OG1 3.15Å; K259-N351 WeakPolarHBondContact CA-O 3.22Å; K259-E352 WeakPolarHBondContact CE-O 3.19Å; K259-D354 IonicContact NZ-OD1 2.76Å; K259-D354 PolarHBondContact NZ-OD1 3.45Å | ||
| 260 | L | 61.3 | Low | 71.8 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 36% | 0.361 | 30% | 0.301 | S | S | . | . | trans | -83.5 | -11.4 | -177.5 | -65.5 | -176.7 | 0 | 0 | 0 | 114.2 | A258 M266 L281 N351 | A258-L260 PolarHBondContact O-N 3Å; L260-M266 HydrophobicContact CD2-CG 4.17Å; L260-M266 HydrophobicContact CD2-SD 3.43Å; L260-M266 WeakPolarHBondContact CD2-SD 3.46Å; L260-L281 HydrophobicContact CD1-CD2 4.19Å; L260-L281 HydrophobicContact CD2-CD2 4.21Å; L260-N351 WeakPolarHBondContact CD1-ND2 3.37Å; L260-N351 PolarHBondContact N-O 2.84Å | ||
| 261 | T | 54.4 | Low | 71.3 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 41% | 0.411 | 32% | 0.32 | S | S | . | . | trans | -66.8 | 144.4 | -169.9 | 56 | 0 | 0 | 0 | 0 | 112.9 | K259 C264 | K259-T261 WeakPolarHBondContact CD-OG1 3.41Å; K259-T261 WeakPolarHBondContact CE-OG1 3.41Å; K259-T261 HydrophobicContact CG-CG2 4.41Å; K259-T261 WeakPolarHBondContact CG-OG1 3.15Å; T261-C264 PolarHBondContact O-N 2.95Å | ||
| 262 | Y | 44.4 | Very low | 70.9 | Confident | 206 Ų | 206 | 61.3 Ų | 61.3 | 81% | 0.808 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | 141.4 | 164.4 | -177.7 | -90.5 | 0 | 0 | 0 | 111.3 | ||
| 263 | P | 49.4 | Very low | 70.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 61% | 0.61 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -88.5 | 5.6 | 10.8 | 34.1 | -34.9 | 0 | 0 | 0 | 116.1 | K265 | P263-K265 PolarHBondContact O-N 2.88Š|
| 264 | C | 54.9 | Low | 70.9 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 24% | 0.243 | 39% | 0.387 | C | S | . | . | trans | -74 | 110.7 | -174.6 | -65.5 | 0 | 0 | 0 | 0 | 111.3 | T261 M266 | T261-C264 PolarHBondContact O-N 2.95Å; C264-M266 PolarHBondContact O-N 2.84Å | ||
| 265 | K | 57.4 | Low | 71.1 | Confident | 174 Ų | 174 | 76.9 Ų | 76.9 | 76% | 0.757 | 40% | 0.396 | S | S | * | . | trans | -68.3 | 114.6 | 164.7 | -78.3 | -174.6 | 178.6 | 179.7 | 0 | 109 | P263 M267 H376 | P263-K265 PolarHBondContact O-N 2.88Å; K265-M267 PolarHBondContact O-N 2.81Å; K265-H376 PolarHBondContact N-CD2 3.33Å; K265-H376 PolarHBondContact O-CD2 3.47Å | ||
| 266 | M | 62.9 | Low | 71.3 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 39% | 0.394 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -57 | 129.9 | 176.1 | -163 | -178.5 | 82.4 | 0 | 0 | 110.1 | L260 C264 N279 L281 | L260-M266 HydrophobicContact CD2-CG 4.17Å; L260-M266 HydrophobicContact CD2-SD 3.43Å; L260-M266 WeakPolarHBondContact CD2-SD 3.46Å; C264-M266 PolarHBondContact O-N 2.84Å; M266-N279 HydrophobicContact CE-CB 3.67Å; M266-N279 WeakPolarHBondContact CE-ND2 3.2Å; M266-N279 HydrophobicContact CG-CB 4.45Å; M266-N279 HydrophobicContact SD-CB 3.55Å; M266-N279 VanDerWaalsContact SD-CB 3.55Å; M266-N279 VanDerWaalsContact SD-CG 3.56Å; M266-L281 HydrophobicContact CE-CD2 3.67Å; M266-L281 HydrophobicContact SD-CD2 3.48Å; M266-L281 WeakPolarHBondContact SD-CD2 3.45Å |
| 267 | M | 69 | Low | 71.5 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 16% | 0.158 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 148.6 | 174.3 | -64.8 | -172.2 | 66.6 | 0 | 0 | 110.8 | D240 K265 N279 R375 V377 | D240-M267 HydrophobicContact CB-CE 3.42Å; D240-M267 VanDerWaalsContact CB-CE 3.42Å; D240-M267 HydrophobicContact CB-SD 3.96Å; D240-M267 VanDerWaalsContact CG-SD 3.57Å; D240-M267 WeakPolarHBondContact OD2-CE 3.3Å; K265-M267 PolarHBondContact O-N 2.81Å; M267-N279 PolarHBondContact O-ND2 3.18Å; M267-R375 HydrophobicContact CB-CG 3.94Å; M267-R375 HydrophobicContact CG-CG 4.09Å; M267-R375 WeakPolarHBondContact CG-O 3.34Å; M267-R375 HydrophobicContact SD-CG 3.92Å; M267-V377 HydrophobicContact CE-CG2 3.3Å; M267-V377 HydrophobicContact CG-CG2 4.27Å; M267-V377 HydrophobicContact SD-CG2 3.7Å |
| 268 | Q | 73.9 | Confident | 71.8 | Confident | 173 Ų | 173 | 81.8 Ų | 81.8 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 149.2 | 178.1 | -68.1 | -177.7 | -19.8 | 0 | 0 | 111.6 | R375 | Q268-R375 PolarHBondContact O-NH2 2.63Å; Q268-R375 VanDerWaalsContact O-NH2 3.15Å |
| 269 | N | 80.8 | Confident | 72.2 | Confident | 76 Ų | 76 | 82.3 Ų | 82.3 | 41% | 0.406 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 139.7 | 173 | -68.4 | -9.5 | 0 | 0 | 0 | 110.5 | C271 V277 E278 N279 | N269-C271 PolarHBondContact O-N 2.88Å; N269-V277 WeakPolarHBondContact CA-O 3.45Å; N269-E278 HydrophobicContact CB-CG 4.27Å; N269-E278 WeakPolarHBondContact OD1-CA 3.48Å; N269-N279 PolarHBondContact OD1-N 2.93Å; N269-N279 PolarHBondContact OD1-ND2 3.33Å |
| 270 | T | 82.2 | Confident | 72.5 | Confident | 26 Ų | 26 | 82.4 Ų | 82.4 | 16% | 0.16 | 42% | 0.42 | C | S | . | . | B | Isolated β-bridge | trans | -104.4 | 75.8 | -178.5 | -39.1 | 0 | 0 | 0 | 0 | 109.6 | A243 R273 K276 V277 R375 | A243-T270 HydrophobicContact CB-CG2 4.37Å; T270-R273 HydrophobicContact CG2-CB 4.28Å; T270-R273 VanDerWaalsContact CG2-CD 3.4Å; T270-R273 HydrophobicContact CG2-CG 3.69Å; T270-K276 WeakPolarHBondContact O-CA 3.45Å; T270-V277 PolarHBondContact N-O 3.27Å; T270-R375 PolarHBondContact OG1-NH2 2.94Å |
| 271 | C | 75.5 | Confident | 73 | Confident | 64 Ų | 64 | 83.6 Ų | 83.6 | 43% | 0.432 | 43% | 0.426 | S | S | . | . | trans | -86.5 | -21.3 | -171.4 | -58.4 | 0 | 0 | 0 | 0 | 114.5 | N269 K276 | N269-C271 PolarHBondContact O-N 2.88Å; C271-K276 WeakPolarHBondContact O-CE 3.32Å | ||
| 272 | G | 80.7 | Confident | 73.7 | Confident | 87 Ų | 87 | 86.3 Ų | 86.3 | 90% | 0.897 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -88.6 | 2.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 273 | R | 86.2 | Confident | 75 | Confident | 120 Ų | 120 | 79.1 Ų | 79.1 | 45% | 0.453 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -98.4 | 161.2 | 179 | -67.3 | -172.7 | -173.2 | -178.9 | -2.4 | 111.3 | A243 D244 T270 Y275 | A243-R273 PolarHBondContact O-NH1 3.08Å; D244-R273 IonicContact OD1-CZ 3.09Å; D244-R273 VanDerWaalsContact OD1-CZ 3.22Å; D244-R273 IonicContact OD1-NH1 2.77Å; D244-R273 PolarHBondContact OD1-NH1 2.87Å; D244-R273 IonicContact OD1-NH2 2.75Å; D244-R273 PolarHBondContact OD1-NH2 2.87Å; T270-R273 HydrophobicContact CG2-CB 4.28Å; T270-R273 VanDerWaalsContact CG2-CD 3.4Å; T270-R273 HydrophobicContact CG2-CG 3.69Å; R273-Y275 VanDerWaalsContact C-N 3.27Å; R273-Y275 PolarHBondContact O-N 3.19Å |
| 274 | K | 88.3 | Confident | 76.2 | Confident | 175 Ų | 175 | 75.6 Ų | 75.6 | 76% | 0.761 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -53.6 | -43.6 | 176.3 | -178.7 | 177.3 | 177.6 | 178.8 | 0 | 112.3 | ||
| 275 | Y | 88.9 | Confident | 77 | Confident | 49 Ų | 49 | 78 Ų | 78 | 19% | 0.192 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -110.2 | 123 | 173.1 | -51.8 | -63.7 | 0 | 0 | 0 | 108.6 | K251 R273 | K251-Y275 VanDerWaalsContact C-CD1 3.49Å; K251-Y275 VanDerWaalsContact CA-CZ 3.47Å; K251-Y275 HydrophobicContact CB-CE1 4.12Å; K251-Y275 HydrophobicContact CB-CE2 4.38Å; K251-Y275 WeakPolarHBondContact CB-OH 3.36Å; K251-Y275 WeakPolarHBondContact O-CD1 3.37Å; K251-Y275 WeakPolarHBondContact O-CE1 3.04Å; R273-Y275 VanDerWaalsContact C-N 3.27Å; R273-Y275 PolarHBondContact O-N 3.19Å |
| 276 | K | 87.7 | Confident | 77.7 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 39% | 0.391 | 36% | 0.363 | S | S | . | . | trans | -90.2 | 142.7 | -174.2 | -60.9 | 180 | -177.3 | 178.2 | 0 | 110.3 | S253 F254 T270 C271 | S253-K276 CarbonylContact C-O 3.48Å; S253-K276 WeakPolarHBondContact CA-O 3.22Å; S253-K276 VanDerWaalsContact CB-O 3.3Å; S253-K276 WeakPolarHBondContact CB-O 3.46Å; S253-K276 PolarHBondContact OG-N 2.84Å; F254-K276 PolarHBondContact N-O 2.88Å; T270-K276 WeakPolarHBondContact O-CA 3.45Å; C271-K276 WeakPolarHBondContact O-CE 3.32Å | ||
| 277 | V | 85.4 | Confident | 77.9 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 111 | 171.3 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | A243 A247 F254 V256 N269 T270 R375 | A243-V277 HydrophobicContact CB-CB 4.06Å; A243-V277 HydrophobicContact CB-CG2 3.95Å; A247-V277 HydrophobicContact CB-CG2 3.59Å; F254-V277 WeakPolarHBondContact O-CA 2.94Å; V256-V277 HydrophobicContact CG2-CG1 3.58Å; N269-V277 WeakPolarHBondContact CA-O 3.45Å; T270-V277 PolarHBondContact N-O 3.27Å; V277-R375 VanDerWaalsContact CG1-CZ 3.48Å; V277-R375 PolarHBondContact O-NH1 2.75Å; V277-R375 PolarHBondContact O-NH2 3.37Å |
| 278 | E | 83.4 | Confident | 77.5 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 19% | 0.192 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 148.6 | -175.7 | -66.5 | 168 | 132 | 0 | 0 | 109.8 | F254 V255 V256 N269 R362 | F254-E278 PolarHBondContact O-N 3.33Å; V255-E278 CarbonylContact C-O 3.43Å; V255-E278 WeakPolarHBondContact CA-O 3.03Å; V256-E278 PolarHBondContact N-O 3.32Å; N269-E278 HydrophobicContact CB-CG 4.27Å; N269-E278 WeakPolarHBondContact OD1-CA 3.48Å; E278-R362 IonicContact OE1-NH1 3.34Å; E278-R362 IonicContact OE2-CZ 3.75Å; E278-R362 IonicContact OE2-NE 3.53Å; E278-R362 IonicContact OE2-NH1 2.59Å; E278-R362 PolarHBondContact OE2-NH1 3.11Å |
| 279 | N | 79 | Confident | 76.8 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 11% | 0.112 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 135.1 | 175 | -55.5 | -62.7 | 0 | 0 | 0 | 110.5 | V256 M266 M267 N269 L281 R375 | V256-N279 CarbonylContact O-C 2.93Å; V256-N279 WeakPolarHBondContact O-CA 3.35Å; M266-N279 HydrophobicContact CE-CB 3.67Å; M266-N279 WeakPolarHBondContact CE-ND2 3.2Å; M266-N279 HydrophobicContact CG-CB 4.45Å; M266-N279 HydrophobicContact SD-CB 3.55Å; M266-N279 VanDerWaalsContact SD-CB 3.55Å; M266-N279 VanDerWaalsContact SD-CG 3.56Å; M267-N279 PolarHBondContact O-ND2 3.18Å; N269-N279 PolarHBondContact OD1-N 2.93Å; N269-N279 PolarHBondContact OD1-ND2 3.33Å; N279-L281 HydrophobicContact CB-CD2 4.37Å; N279-R375 PolarHBondContact ND2-NH1 2.75Å; N279-R375 WeakPolarHBondContact OD1-CD 3.4Å; N279-R375 PolarHBondContact OD1-NH1 3.18Å |
| 280 | L | 77.1 | Confident | 75.3 | Confident | 51 Ų | 51 | 62.4 Ų | 62.4 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -87 | 108 | 167 | -171.7 | 61.4 | 0 | 0 | 0 | 109.3 | V255 V256 W257 V284 N351 | V255-L280 HydrophobicContact CG1-CB 3.56Å; V255-L280 HydrophobicContact CG1-CD1 4.34Å; V255-L280 HydrophobicContact CG1-CD2 4.41Å; V255-L280 HydrophobicContact CG1-CG 4.33Å; V256-L280 PolarHBondContact O-N 3.14Å; W257-L280 HydrophobicContact CB-CB 4.24Å; W257-L280 HydrophobicContact CB-CD2 4.29Å; W257-L280 HydrophobicContact CG-CB 4.47Å; W257-L280 HydrophobicContact CG-CD2 4.16Å; L280-V284 HydrophobicContact CD2-CG2 3.39Å; L280-N351 PolarHBondContact O-ND2 2.94Å | ||
| 281 | L | 72.2 | Confident | 73.7 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | trans | -83.2 | -25.8 | -177.5 | -62.1 | -178.8 | 0 | 0 | 0 | 113.2 | L260 M266 N279 N351 | L260-L281 HydrophobicContact CD1-CD2 4.19Å; L260-L281 HydrophobicContact CD2-CD2 4.21Å; M266-L281 HydrophobicContact CE-CD2 3.67Å; M266-L281 HydrophobicContact SD-CD2 3.48Å; M266-L281 WeakPolarHBondContact SD-CD2 3.45Å; N279-L281 HydrophobicContact CB-CD2 4.37Å; L281-N351 PolarHBondContact O-ND2 3.44Å | ||
| 282 | N | 68.8 | Low | 72.2 | Confident | 123 Ų | 123 | 68 Ų | 68 | 66% | 0.658 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -95.6 | 178.4 | -173.4 | -69.4 | -17.1 | 0 | 0 | 0 | 112.2 | W257 | W257-N282 PolarHBondContact NE1-O 3.04Š|
| 283 | Q | 71.8 | Confident | 70.5 | Confident | 55 Ų | 55 | 66 Ų | 66 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | trans | -60.8 | 152.4 | 171.5 | 66 | 178.9 | 51.9 | 0 | 0 | 112.3 | D285 K348 V349 Y350 | Q283-D285 PolarHBondContact NE2-OD1 2.86Å; Q283-K348 VanDerWaalsContact NE2-CG 3.27Å; Q283-V349 CarbonylContact C-O 3.44Å; Q283-V349 WeakPolarHBondContact CA-O 3.42Å; Q283-V349 VanDerWaalsContact CB-O 3.25Å; Q283-V349 WeakPolarHBondContact CB-O 3.46Å; Q283-Y350 HydrophobicContact CB-CD1 3.85Å; Q283-Y350 HydrophobicContact CB-CE1 3.91Å; Q283-Y350 HydrophobicContact CB-CG 4.43Å; Q283-Y350 VanDerWaalsContact OE1-CE1 3.28Å; Q283-Y350 PolarHBondContact OE1-OH 3.49Å | ||
| 284 | V | 73.4 | Confident | 68.5 | Low | 21 Ų | 21 | 64.2 Ų | 64.2 | 13% | 0.127 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.9 | 166 | 175.5 | 0 | 0 | 0 | 0 | 108 | W257 L280 V349 W358 | W257-V284 HydrophobicContact CD2-CG2 3.7Å; W257-V284 HydrophobicContact CE3-CG2 4.16Å; W257-V284 HydrophobicContact CG-CG2 3.96Å; W257-V284 HydrophobicContact CZ2-CB 4.28Å; W257-V284 HydrophobicContact CZ2-CG2 4.13Å; L280-V284 HydrophobicContact CD2-CG2 3.39Å; V284-V349 PolarHBondContact N-O 2.87Å; V284-V349 PolarHBondContact O-N 3.35Å; V284-W358 HydrophobicContact CG1-CZ3 4Å |
| 285 | D | 72.6 | Confident | 66.4 | Low | 86 Ų | 86 | 60.5 Ų | 60.5 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 112.4 | 175.5 | -71.6 | -18.2 | 0 | 0 | 0 | 108.6 | Q283 S346 | Q283-D285 PolarHBondContact NE2-OD1 2.86Å; D285-S346 WeakPolarHBondContact CB-OG 3.23Å |
| 286 | I | 71.9 | Confident | 64.4 | Low | 3 Ų | 3 | 66.6 Ų | 66.6 | 2% | 0.015 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 109.5 | 172.7 | -63.7 | -175.4 | 0 | 0 | 0 | 107.2 | Y40 V57 W68 I288 S346 L347 V349 W358 | Y40-I286 HydrophobicContact CD1-CD1 3.71Å; Y40-I286 HydrophobicContact CE1-CD1 3.92Å; Y40-I286 HydrophobicContact CG-CD1 4.49Å; V57-I286 HydrophobicContact CG2-CD1 4.47Å; V57-I286 HydrophobicContact CG2-CG2 4.38Å; W68-I286 HydrophobicContact CB-CG2 3.65Å; W68-I286 VanDerWaalsContact CD1-CG2 3.46Å; W68-I286 HydrophobicContact CD2-CG2 4.11Å; W68-I286 HydrophobicContact CG-CG2 3.45Å; W68-I286 VanDerWaalsContact CG-CG2 3.45Å; I286-I288 HydrophobicContact CG2-CD1 4.04Å; I286-I288 HydrophobicContact CG2-CG1 3.85Å; I286-I288 WeakPolarHBondContact O-CG1 3.37Å; I286-I288 PolarHBondContact O-N 3.12Å; I286-S346 CarbonylContact O-C 3.47Å; I286-S346 WeakPolarHBondContact O-CA 3.17Å; I286-L347 HydrophobicContact CB-CB 4.21Å; I286-L347 PolarHBondContact N-O 2.86Å; I286-L347 PolarHBondContact O-N 3.19Å; I286-V349 HydrophobicContact CD1-CG2 3.46Å; I286-V349 VanDerWaalsContact CD1-CG2 3.46Å; I286-V349 HydrophobicContact CG1-CG2 3.77Å; I286-W358 HydrophobicContact CD1-CH2 4.1Å; I286-W358 HydrophobicContact CG1-CH2 4.38Å |
| 287 | A | 67.5 | Low | 62.5 | Low | 48 Ų | 48 | 66.6 Ų | 66.6 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | trans | -69.2 | 121.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 288 | I | 61.3 | Low | 60.6 | Low | 12 Ų | 12 | 67.9 Ų | 67.9 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | trans | -126.1 | 135.2 | -179.8 | -54.3 | -154.1 | 0 | 0 | 0 | 109.8 | V57 W68 P70 I286 E290 L347 | V57-I288 HydrophobicContact CB-CD1 4.21Å; V57-I288 HydrophobicContact CG1-CD1 3.3Å; W68-I288 HydrophobicContact CB-CG1 4.45Å; P70-I288 HydrophobicContact CB-CG2 4.19Å; P70-I288 HydrophobicContact CG-CG2 3.76Å; I286-I288 HydrophobicContact CG2-CD1 4.04Å; I286-I288 HydrophobicContact CG2-CG1 3.85Å; I286-I288 WeakPolarHBondContact O-CG1 3.37Å; I286-I288 PolarHBondContact O-N 3.12Å; I288-E290 PolarHBondContact O-N 2.94Å; I288-L347 HydrophobicContact CD1-CB 4.09Å; I288-L347 HydrophobicContact CD1-CD1 3.17Å; I288-L347 HydrophobicContact CD1-CG 3.38Å; I288-L347 HydrophobicContact CG1-CB 4.39Å; I288-L347 HydrophobicContact CG1-CD1 4.2Å; I288-L347 HydrophobicContact CG1-CG 3.87Å | ||
| 289 | P | 57.8 | Low | 58.8 | Low | 14 Ų | 14 | 69.6 Ų | 69.6 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | trans | -61.9 | 121.5 | 164 | -1.9 | 8.9 | 0 | 0 | 0 | 110.9 | W68 H291 W341 | W68-P289 VanDerWaalsContact O-CD 3.25Å; W68-P289 WeakPolarHBondContact O-CD 3.32Å; P289-H291 WeakPolarHBondContact CB-O 3.4Å; P289-H291 PolarHBondContact O-N 3.23Å; P289-W341 HydrophobicContact CG-CZ2 4.31Å | ||
| 290 | E | 50.4 | Low | 57.7 | Low | 130 Ų | 130 | 74.3 Ų | 74.3 | 61% | 0.607 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -58.9 | -30.7 | 165.9 | -77 | -170.8 | 156.2 | 0 | 0 | 111.9 | I288 | I288-E290 PolarHBondContact O-N 2.94Š|
| 291 | H | 47.9 | Very low | 56.7 | Low | 138 Ų | 138 | 72.9 Ų | 72.9 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -119.5 | 121.8 | 173.3 | -61.8 | -60.2 | 0 | 0 | 0 | 110 | P289 V293 | P289-H291 WeakPolarHBondContact CB-O 3.4Å; P289-H291 PolarHBondContact O-N 3.23Å; H291-V293 VanDerWaalsContact C-N 3.33Å; H291-V293 VanDerWaalsContact O-CG2 3.23Å; H291-V293 WeakPolarHBondContact O-CG2 3.16Å; H291-V293 PolarHBondContact O-N 2.74Å |
| 292 | T | 44.8 | Very low | 56.3 | Low | 70 Ų | 70 | 70.9 Ų | 70.9 | 43% | 0.429 | 38% | 0.38 | S | S | . | . | trans | -65.1 | 92.4 | 172.9 | -24.6 | 0 | 0 | 0 | 0 | 108.2 | T69 V294 | T69-T292 HydrophobicContact CG2-CG2 4.17Å; T292-V294 PolarHBondContact O-N 3.34Å | ||
| 293 | V | 43.9 | Very low | 56.3 | Low | 45 Ų | 45 | 68.6 Ų | 68.6 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | trans | -75.6 | 130.4 | -173.7 | -156.9 | 0 | 0 | 0 | 0 | 110 | H291 W295 Y298 | H291-V293 VanDerWaalsContact C-N 3.33Å; H291-V293 VanDerWaalsContact O-CG2 3.23Å; H291-V293 WeakPolarHBondContact O-CG2 3.16Å; H291-V293 PolarHBondContact O-N 2.74Å; V293-W295 PolarHBondContact O-N 3.29Å; V293-Y298 HydrophobicContact CB-CE2 3.7Å; V293-Y298 WeakPolarHBondContact CB-OH 3.31Å; V293-Y298 HydrophobicContact CG1-CD2 4.48Å; V293-Y298 HydrophobicContact CG1-CE2 3.31Å; V293-Y298 WeakPolarHBondContact CG1-OH 3.21Å; V293-Y298 VanDerWaalsContact CG2-OH 3.26Å; V293-Y298 WeakPolarHBondContact CG2-OH 3.1Å | ||
| 294 | V | 45.3 | Very low | 55.9 | Low | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | trans | -76.5 | 116 | -176.5 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | T292 K296 D297 Y298 | T292-V294 PolarHBondContact O-N 3.34Å; V294-K296 HydrophobicContact CG1-CB 4.26Å; V294-K296 HydrophobicContact CG1-CG 4.25Å; V294-K296 PolarHBondContact O-N 3.03Å; V294-D297 PolarHBondContact O-N 3.01Å; V294-Y298 WeakPolarHBondContact O-CD2 3.29Å | ||
| 295 | W | 42.9 | Very low | 55.7 | Low | 97 Ų | 97 | 70.4 Ų | 70.4 | 37% | 0.367 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -58.4 | -24.1 | -170.9 | -150.6 | -136 | 0 | 0 | 0 | 114.7 | P64 V293 D297 Y298 I322 | P64-W295 HydrophobicContact CG-CZ2 4.37Å; V293-W295 PolarHBondContact O-N 3.29Å; W295-D297 PolarHBondContact O-N 2.92Å; W295-Y298 HydrophobicContact CD2-CD2 4.12Å; W295-Y298 HydrophobicContact CE3-CD1 4.43Å; W295-Y298 AromaticContact CE3-CD2 3.28Å; W295-Y298 HydrophobicContact CE3-CD2 3.28Å; W295-Y298 AromaticContact CE3-CE2 3.39Å; W295-Y298 HydrophobicContact CE3-CE2 3.39Å; W295-Y298 AromaticContact CE3-CG 3.78Å; W295-Y298 HydrophobicContact CE3-CG 3.78Å; W295-Y298 HydrophobicContact CH2-CG 4.46Å; W295-Y298 AromaticContact CZ3-CD1 3.93Å; W295-Y298 HydrophobicContact CZ3-CD1 3.93Å; W295-Y298 AromaticContact CZ3-CD2 3.63Å; W295-Y298 HydrophobicContact CZ3-CD2 3.63Å; W295-Y298 AromaticContact CZ3-CE1 3.99Å; W295-Y298 HydrophobicContact CZ3-CE1 3.99Å; W295-Y298 AromaticContact CZ3-CE2 3.62Å; W295-Y298 HydrophobicContact CZ3-CE2 3.62Å; W295-Y298 AromaticContact CZ3-CG 3.71Å; W295-Y298 HydrophobicContact CZ3-CG 3.71Å; W295-Y298 AromaticContact CZ3-CZ 3.77Å; W295-Y298 WeakPolarHBondContact O-CB 3.44Å; W295-Y298 PolarHBondContact O-N 2.62Å; W295-I322 HydrophobicContact CH2-CG2 4.21Å; W295-I322 WeakPolarHBondContact CH2-O 3.36Å; W295-I322 VanDerWaalsContact CZ2-O 3.28Å; W295-I322 WeakPolarHBondContact CZ2-O 3.48Å |
| 296 | K | 46.4 | Very low | 55.5 | Low | 178 Ų | 178 | 73.4 Ų | 73.4 | 77% | 0.774 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -62 | -27.7 | 178 | -55 | -176.2 | -177.3 | -177.7 | 0 | 112.8 | V294 Y298 | V294-K296 HydrophobicContact CG1-CB 4.26Å; V294-K296 HydrophobicContact CG1-CG 4.25Å; V294-K296 PolarHBondContact O-N 3.03Å; K296-Y298 PolarHBondContact O-N 3.41Å |
| 297 | D | 48.1 | Very low | 55.3 | Low | 89 Ų | 89 | 74 Ų | 74 | 48% | 0.476 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -76.1 | -9.9 | -178.3 | -59.2 | -23.3 | 0 | 0 | 0 | 112.7 | V294 W295 Y334 | V294-D297 PolarHBondContact O-N 3.01Å; W295-D297 PolarHBondContact O-N 2.92Å; D297-Y334 HydrophobicContact CB-CE1 4.22Å |
| 298 | Y | 46.3 | Very low | 55.3 | Low | 27 Ų | 27 | 78.2 Ų | 78.2 | 11% | 0.106 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -99.3 | -18.2 | -175.4 | -65.5 | -92.4 | 0 | 0 | 0 | 115.1 | V293 V294 W295 K296 D300 G301 Y334 | V293-Y298 HydrophobicContact CB-CE2 3.7Å; V293-Y298 WeakPolarHBondContact CB-OH 3.31Å; V293-Y298 HydrophobicContact CG1-CD2 4.48Å; V293-Y298 HydrophobicContact CG1-CE2 3.31Å; V293-Y298 WeakPolarHBondContact CG1-OH 3.21Å; V293-Y298 VanDerWaalsContact CG2-OH 3.26Å; V293-Y298 WeakPolarHBondContact CG2-OH 3.1Å; V294-Y298 WeakPolarHBondContact O-CD2 3.29Å; W295-Y298 HydrophobicContact CD2-CD2 4.12Å; W295-Y298 HydrophobicContact CE3-CD1 4.43Å; W295-Y298 AromaticContact CE3-CD2 3.28Å; W295-Y298 HydrophobicContact CE3-CD2 3.28Å; W295-Y298 AromaticContact CE3-CE2 3.39Å; W295-Y298 HydrophobicContact CE3-CE2 3.39Å; W295-Y298 AromaticContact CE3-CG 3.78Å; W295-Y298 HydrophobicContact CE3-CG 3.78Å; W295-Y298 HydrophobicContact CH2-CG 4.46Å; W295-Y298 AromaticContact CZ3-CD1 3.93Å; W295-Y298 HydrophobicContact CZ3-CD1 3.93Å; W295-Y298 AromaticContact CZ3-CD2 3.63Å; W295-Y298 HydrophobicContact CZ3-CD2 3.63Å; W295-Y298 AromaticContact CZ3-CE1 3.99Å; W295-Y298 HydrophobicContact CZ3-CE1 3.99Å; W295-Y298 AromaticContact CZ3-CE2 3.62Å; W295-Y298 HydrophobicContact CZ3-CE2 3.62Å; W295-Y298 AromaticContact CZ3-CG 3.71Å; W295-Y298 HydrophobicContact CZ3-CG 3.71Å; W295-Y298 AromaticContact CZ3-CZ 3.77Å; W295-Y298 WeakPolarHBondContact O-CB 3.44Å; W295-Y298 PolarHBondContact O-N 2.62Å; K296-Y298 PolarHBondContact O-N 3.41Å; Y298-D300 PolarHBondContact O-N 2.85Å; Y298-D300 VanDerWaalsContact O-N 3.08Å; Y298-G301 PolarHBondContact O-N 3.15Å; Y298-Y334 HydrophobicContact CE1-CD1 4.35Å |
| 299 | A | 46.3 | Very low | 55.8 | Low | 78 Ų | 78 | 79.5 Ų | 79.5 | 65% | 0.645 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -61.1 | -24.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G301 | A299-G301 VanDerWaalsContact C-N 3.32Å; A299-G301 PolarHBondContact O-N 3.11Å |
| 300 | D | 54 | Low | 56.4 | Low | 119 Ų | 119 | 84 Ų | 84 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -93.4 | 51.3 | -179.2 | -60.9 | -24.1 | 0 | 0 | 0 | 112.4 | Y298 K331 | Y298-D300 PolarHBondContact O-N 2.85Å; Y298-D300 VanDerWaalsContact O-N 3.08Å; D300-K331 VanDerWaalsContact O-CE 3.27Å; D300-K331 WeakPolarHBondContact O-CE 3.47Å |
| 301 | G | 56.8 | Low | 57 | Low | 21 Ų | 21 | 81.9 Ų | 81.9 | 22% | 0.216 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 146.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y298 A299 C329 | Y298-G301 PolarHBondContact O-N 3.15Å; A299-G301 VanDerWaalsContact C-N 3.32Å; A299-G301 PolarHBondContact O-N 3.11Å; G301-C329 CarbonylContact C-O 3.37Å; G301-C329 WeakPolarHBondContact CA-O 3.3Å |
| 302 | Q | 64 | Low | 57.8 | Low | 52 Ų | 52 | 77.3 Ų | 77.3 | 24% | 0.243 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 155.5 | 170.2 | 66 | 177.1 | -11.3 | 0 | 0 | 110.7 | C304 T328 C329 | Q302-C304 PolarHBondContact O-N 3.23Å; Q302-T328 CarbonylContact O-C 3.43Å; Q302-T328 VanDerWaalsContact O-CA 3.24Å; Q302-T328 WeakPolarHBondContact O-CA 3.49Å; Q302-C329 HydrophobicContact CG-CB 3.85Å; Q302-C329 WeakPolarHBondContact CG-O 3.33Å; Q302-C329 PolarHBondContact N-O 2.79Å; Q302-C329 PolarHBondContact O-N 3.04Å |
| 303 | D | 68.5 | Low | 58.9 | Low | 76 Ų | 76 | 80.6 Ų | 80.6 | 41% | 0.406 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 123.4 | 172.6 | -175.8 | -18.4 | 0 | 0 | 0 | 110.5 | S305 K306 | D303-S305 PolarHBondContact O-N 3.26Å; D303-S305 VanDerWaalsContact O-N 3.1Å; D303-S305 WeakPolarHBondContact OD1-CB 3.39Å; D303-S305 PolarHBondContact OD1-N 2.77Å; D303-S305 PolarHBondContact OD1-OG 2.88Å; D303-S305 PolarHBondContact OD2-OG 2.86Å; D303-K306 HydrophobicContact CB-CD 4.31Å; D303-K306 HydrophobicContact CB-CG 4.23Å; D303-K306 WeakPolarHBondContact O-CB 3.39Å; D303-K306 PolarHBondContact O-N 2.77Å |
| 304 | C | 63.3 | Low | 60 | Low | 17 Ų | 17 | 85.1 Ų | 85.1 | 12% | 0.115 | 46% | 0.458 | C | S | . | . | G | 310 helix | trans | -58.1 | -24.9 | 179.8 | -100 | 0 | 0 | 0 | 0 | 111.8 | Q302 K306 V307 C316 Q320 G327 C329 | Q302-C304 PolarHBondContact O-N 3.23Å; C304-K306 PolarHBondContact O-N 2.9Å; C304-V307 WeakPolarHBondContact O-CB 3.23Å; C304-V307 PolarHBondContact O-N 2.99Å; C304-C316 WeakPolarHBondContact CB-SG 3.32Å; C304-C316 WeakPolarHBondContact SG-CB 3.34Å; C304-C316 CovalentContact SG-SG 2.1Å; C304-C316 PolarHBondContact SG-SG 3.3Å; C304-Q320 PolarHBondContact SG-NE2 2.94Å; C304-G327 PolarHBondContact N-O 3.01Å; C304-G327 VanDerWaalsContact N-O 3.12Å; C304-C329 HydrophobicContact CB-CB 4.45Å; C304-C329 VanDerWaalsContact SG-CB 3.51Å; C304-C329 VanDerWaalsContact SG-SG 3.64Å |
| 305 | S | 69.5 | Low | 60.8 | Low | 97 Ų | 97 | 83.1 Ų | 83.1 | 68% | 0.678 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -68 | -16.4 | 176.8 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | D303 | D303-S305 PolarHBondContact O-N 3.26Å; D303-S305 VanDerWaalsContact O-N 3.1Å; D303-S305 WeakPolarHBondContact OD1-CB 3.39Å; D303-S305 PolarHBondContact OD1-N 2.77Å; D303-S305 PolarHBondContact OD1-OG 2.88Å; D303-S305 PolarHBondContact OD2-OG 2.86Å |
| 306 | K | 69.4 | Low | 61.8 | Low | 149 Ų | 149 | 78.8 Ų | 78.8 | 65% | 0.648 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -92.7 | -4.5 | 177.5 | -63.1 | -174.6 | 179.9 | 180 | 0 | 113.6 | D303 C304 T308 | D303-K306 HydrophobicContact CB-CD 4.31Å; D303-K306 HydrophobicContact CB-CG 4.23Å; D303-K306 WeakPolarHBondContact O-CB 3.39Å; D303-K306 PolarHBondContact O-N 2.77Å; C304-K306 PolarHBondContact O-N 2.9Å; K306-T308 PolarHBondContact O-N 2.69Å |
| 307 | V | 66 | Low | 62.6 | Low | 15 Ų | 15 | 73.9 Ų | 73.9 | 9% | 0.091 | 41% | 0.414 | C | S | . | . | trans | -73.1 | 114.3 | 179.2 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | C304 E312 F313 C329 | C304-V307 WeakPolarHBondContact O-CB 3.23Å; C304-V307 PolarHBondContact O-N 2.99Å; V307-E312 HydrophobicContact CG1-CB 3.37Å; V307-F313 HydrophobicContact CG1-CB 4.49Å; V307-C329 HydrophobicContact CG2-CB 4Å | ||
| 308 | T | 68.1 | Low | 63.1 | Low | 137 Ų | 137 | 73.2 Ų | 73.2 | 84% | 0.84 | 41% | 0.409 | S | S | * | . | trans | -100.9 | -22 | -175.7 | 50.6 | 0 | 0 | 0 | 0 | 113.5 | K306 | K306-T308 PolarHBondContact O-N 2.69Š| ||
| 309 | S | 70.9 | Confident | 63.8 | Low | 38 Ų | 38 | 72.2 Ų | 72.2 | 27% | 0.266 | 41% | 0.405 | S | S | . | . | trans | -73.3 | 127.5 | 179.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | L311 E312 F313 | S309-L311 VanDerWaalsContact C-N 3.29Å; S309-L311 PolarHBondContact O-N 2.64Å; S309-E312 VanDerWaalsContact CB-CD 3.46Å; S309-E312 VanDerWaalsContact CB-CG 3.49Å; S309-E312 WeakPolarHBondContact CB-OE1 3.45Å; S309-E312 PolarHBondContact O-N 2.95Å; S309-E312 WeakPolarHBondContact OG-CG 3.26Å; S309-F313 PolarHBondContact O-N 3.46Å | ||
| 310 | P | 70.7 | Confident | 64.4 | Low | 109 Ų | 109 | 71.3 Ų | 71.3 | 71% | 0.708 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -57.6 | -40.6 | 180 | -25.3 | 33.4 | 0 | 0 | 0 | 113.3 | F313 E314 | P310-F313 PolarHBondContact O-N 3.19Å; P310-E314 PolarHBondContact O-N 2.84Å; P310-E314 VanDerWaalsContact O-N 3.09Å |
| 311 | L | 64.5 | Low | 64.5 | Low | 86 Ų | 86 | 73.1 Ų | 73.1 | 45% | 0.45 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 179 | -169.1 | 73.8 | 0 | 0 | 0 | 110.8 | S309 F313 E314 F315 | S309-L311 VanDerWaalsContact C-N 3.29Å; S309-L311 PolarHBondContact O-N 2.64Å; L311-F313 VanDerWaalsContact C-N 3.34Å; L311-F313 PolarHBondContact O-N 3.26Å; L311-E314 WeakPolarHBondContact O-CB 3.47Å; L311-E314 PolarHBondContact O-N 2.78Å; L311-F315 HydrophobicContact CD1-CD2 4.37Å; L311-F315 HydrophobicContact CD1-CE2 3.71Å; L311-F315 HydrophobicContact CD2-CE2 4.39Å; L311-F315 HydrophobicContact CG-CD2 4Å; L311-F315 HydrophobicContact CG-CE2 3.73Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.03Å; L311-F315 VanDerWaalsContact O-N 3.12Å |
| 312 | E | 64.4 | Low | 64.1 | Low | 42 Ų | 42 | 73 Ų | 73 | 20% | 0.196 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.1 | -36.6 | 179.8 | -60.7 | -177.5 | -157.3 | 0 | 0 | 112.2 | V307 S309 E314 F315 C316 Q335 | V307-E312 HydrophobicContact CG1-CB 3.37Å; S309-E312 VanDerWaalsContact CB-CD 3.46Å; S309-E312 VanDerWaalsContact CB-CG 3.49Å; S309-E312 WeakPolarHBondContact CB-OE1 3.45Å; S309-E312 PolarHBondContact O-N 2.95Å; S309-E312 WeakPolarHBondContact OG-CG 3.26Å; E312-E314 VanDerWaalsContact C-N 3.33Å; E312-F315 CarbonylContact O-C 3.6Å; E312-F315 PolarHBondContact O-N 3.07Å; E312-C316 PolarHBondContact O-N 3.35Å; E312-Q335 VanDerWaalsContact CD-CD 3.44Å; E312-Q335 VanDerWaalsContact CG-CD 3.5Å; E312-Q335 PolarHBondContact OE1-OE1 3.01Å; E312-Q335 PolarHBondContact OE2-NE2 3.43Å; E312-Q335 PolarHBondContact OE2-OE1 2.91Å |
| 313 | F | 66.7 | Low | 63.6 | Low | 139 Ų | 139 | 71.5 Ų | 71.5 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 174.9 | -170.8 | -93.2 | 0 | 0 | 0 | 111.5 | V307 S309 P310 L311 F315 C316 P317 | V307-F313 HydrophobicContact CG1-CB 4.49Å; S309-F313 PolarHBondContact O-N 3.46Å; P310-F313 PolarHBondContact O-N 3.19Å; L311-F313 VanDerWaalsContact C-N 3.34Å; L311-F313 PolarHBondContact O-N 3.26Å; F313-F315 VanDerWaalsContact C-N 3.32Å; F313-F315 PolarHBondContact O-N 3.17Å; F313-C316 PolarHBondContact O-N 3.44Å; F313-P317 WeakPolarHBondContact O-CD 3.44Å |
| 314 | E | 66.9 | Low | 62.6 | Low | 140 Ų | 140 | 71.1 Ų | 71.1 | 65% | 0.654 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.3 | -37.3 | 174.6 | -167.9 | 176.7 | -179.3 | 0 | 0 | 112 | P310 L311 E312 P317 | P310-E314 PolarHBondContact O-N 2.84Å; P310-E314 VanDerWaalsContact O-N 3.09Å; L311-E314 WeakPolarHBondContact O-CB 3.47Å; L311-E314 PolarHBondContact O-N 2.78Å; E312-E314 VanDerWaalsContact C-N 3.33Å; E314-P317 WeakPolarHBondContact O-CD 3.44Å |
| 315 | F | 63.1 | Low | 62.2 | Low | 39 Ų | 39 | 72.2 Ų | 72.2 | 17% | 0.171 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -85.9 | -16.6 | 176.9 | -68.8 | -70.3 | 0 | 0 | 0 | 114.9 | L311 E312 F313 P317 I318 F319 L339 | L311-F315 HydrophobicContact CD1-CD2 4.37Å; L311-F315 HydrophobicContact CD1-CE2 3.71Å; L311-F315 HydrophobicContact CD2-CE2 4.39Å; L311-F315 HydrophobicContact CG-CD2 4Å; L311-F315 HydrophobicContact CG-CE2 3.73Å; L311-F315 WeakPolarHBondContact O-CD2 3.37Å; L311-F315 PolarHBondContact O-N 3.03Å; L311-F315 VanDerWaalsContact O-N 3.12Å; E312-F315 CarbonylContact O-C 3.6Å; E312-F315 PolarHBondContact O-N 3.07Å; F313-F315 VanDerWaalsContact C-N 3.32Å; F313-F315 PolarHBondContact O-N 3.17Å; F315-P317 VanDerWaalsContact C-CD 3.42Å; F315-P317 VanDerWaalsContact C-N 3.32Å; F315-I318 HydrophobicContact CD1-CD1 3.97Å; F315-I318 HydrophobicContact CE1-CD1 4.48Å; F315-I318 WeakPolarHBondContact O-CB 3.42Å; F315-I318 PolarHBondContact O-N 3.15Å; F315-F319 HydrophobicContact CB-CD2 3.79Å; F315-F319 HydrophobicContact CB-CE1 4.14Å; F315-F319 HydrophobicContact CB-CE2 3.25Å; F315-F319 HydrophobicContact CB-CG 4.44Å; F315-F319 HydrophobicContact CB-CZ 3.47Å; F315-F319 VanDerWaalsContact CB-CZ 3.47Å; F315-F319 HydrophobicContact CG-CE2 4.25Å; F315-F319 HydrophobicContact CG-CZ 4.05Å; F315-F319 WeakPolarHBondContact O-CD2 3.45Å; F315-F319 WeakPolarHBondContact O-CG 3.05Å; F315-F319 PolarHBondContact O-N 3.1Å; F315-L339 HydrophobicContact CD1-CD2 4.18Å; F315-L339 HydrophobicContact CD2-CD2 3.96Å; F315-L339 HydrophobicContact CE1-CD2 3.8Å; F315-L339 HydrophobicContact CE2-CD2 3.57Å; F315-L339 HydrophobicContact CG-CD2 4.29Å; F315-L339 HydrophobicContact CZ-CD2 3.49Å; F315-L339 VanDerWaalsContact CZ-CD2 3.49Å |
| 316 | C | 64.3 | Low | 61.6 | Low | 7 Ų | 7 | 77.5 Ų | 77.5 | 5% | 0.047 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -44.2 | -49.4 | 178.6 | -121.7 | 0 | 0 | 0 | 0 | 111.9 | C304 E312 F313 I318 F319 Q320 C329 | C304-C316 WeakPolarHBondContact CB-SG 3.32Å; C304-C316 WeakPolarHBondContact SG-CB 3.34Å; C304-C316 CovalentContact SG-SG 2.1Å; C304-C316 PolarHBondContact SG-SG 3.3Å; E312-C316 PolarHBondContact O-N 3.35Å; F313-C316 PolarHBondContact O-N 3.44Å; C316-I318 PolarHBondContact O-N 3.31Å; C316-F319 PolarHBondContact O-N 3.07Å; C316-Q320 WeakPolarHBondContact O-CB 3.47Å; C316-Q320 WeakPolarHBondContact O-CG 3.48Å; C316-Q320 PolarHBondContact O-N 2.97Å; C316-C329 PolarHBondContact SG-SG 3.34Å |
| 317 | P | 62.7 | Low | 61.1 | Low | 74 Ų | 74 | 72.3 Ų | 72.3 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | -178.6 | -22.7 | 34.3 | 0 | 0 | 0 | 113.5 | F313 E314 F315 Q321 | F313-P317 WeakPolarHBondContact O-CD 3.44Å; E314-P317 WeakPolarHBondContact O-CD 3.44Å; F315-P317 VanDerWaalsContact C-CD 3.42Å; F315-P317 VanDerWaalsContact C-N 3.32Å; P317-Q321 PolarHBondContact O-N 2.97Å |
| 318 | I | 59.7 | Low | 60.9 | Low | 76 Ų | 76 | 73.4 Ų | 73.4 | 39% | 0.39 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.5 | -45.4 | 176.2 | -65.1 | 169 | 0 | 0 | 0 | 109 | F315 C316 Q320 Q321 I322 | F315-I318 HydrophobicContact CD1-CD1 3.97Å; F315-I318 HydrophobicContact CE1-CD1 4.48Å; F315-I318 WeakPolarHBondContact O-CB 3.42Å; F315-I318 PolarHBondContact O-N 3.15Å; C316-I318 PolarHBondContact O-N 3.31Å; I318-Q320 PolarHBondContact O-N 2.85Å; I318-Q321 WeakPolarHBondContact O-CB 3.13Å; I318-Q321 PolarHBondContact O-N 3.37Å; I318-I322 HydrophobicContact CG2-CD1 3.98Å; I318-I322 WeakPolarHBondContact O-CG1 3.32Å; I318-I322 PolarHBondContact O-N 3.35Å; I318-I322 VanDerWaalsContact O-N 3.13Å |
| 319 | F | 59.1 | Low | 60.5 | Low | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.022 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 178.9 | -63.3 | -29.8 | 0 | 0 | 0 | 113.5 | F315 C316 Q321 I322 A323 P330 Q335 L338 L339 | F315-F319 HydrophobicContact CB-CD2 3.79Å; F315-F319 HydrophobicContact CB-CE1 4.14Å; F315-F319 HydrophobicContact CB-CE2 3.25Å; F315-F319 HydrophobicContact CB-CG 4.44Å; F315-F319 HydrophobicContact CB-CZ 3.47Å; F315-F319 VanDerWaalsContact CB-CZ 3.47Å; F315-F319 HydrophobicContact CG-CE2 4.25Å; F315-F319 HydrophobicContact CG-CZ 4.05Å; F315-F319 WeakPolarHBondContact O-CD2 3.45Å; F315-F319 WeakPolarHBondContact O-CG 3.05Å; F315-F319 PolarHBondContact O-N 3.1Å; C316-F319 PolarHBondContact O-N 3.07Å; F319-Q321 VanDerWaalsContact C-N 3.33Å; F319-I322 PolarHBondContact O-N 3.21Å; F319-A323 VanDerWaalsContact O-CB 3.28Å; F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 3.23Å; F319-P330 VanDerWaalsContact CB-CD 3.47Å; F319-P330 HydrophobicContact CB-CG 3.71Å; F319-P330 HydrophobicContact CD2-CG 4.44Å; F319-P330 HydrophobicContact CG-CG 4.07Å; F319-Q335 HydrophobicContact CD2-CG 4.23Å; F319-Q335 HydrophobicContact CE2-CB 3.91Å; F319-Q335 HydrophobicContact CE2-CG 3.62Å; F319-Q335 HydrophobicContact CZ-CB 3.99Å; F319-Q335 HydrophobicContact CZ-CG 4.2Å; F319-L338 HydrophobicContact CB-CD1 4.38Å; F319-L338 HydrophobicContact CD1-CB 3.78Å; F319-L338 HydrophobicContact CD1-CD1 3.37Å; F319-L338 HydrophobicContact CD1-CG 4.13Å; F319-L338 HydrophobicContact CE1-CB 3.3Å; F319-L338 HydrophobicContact CE1-CD1 3.72Å; F319-L338 HydrophobicContact CE1-CG 4.13Å; F319-L338 HydrophobicContact CG-CD1 3.91Å; F319-L338 HydrophobicContact CZ-CB 4.12Å; F319-L338 HydrophobicContact CZ-CD1 4.47Å; F319-L339 HydrophobicContact CZ-CG 4.45Å |
| 320 | Q | 59.9 | Low | 60 | Low | 60 Ų | 60 | 65.5 Ų | 65.5 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.8 | -37.1 | 174 | -81 | 178.6 | -11.5 | 0 | 0 | 112.1 | C304 C316 I318 I322 S324 T328 | C304-Q320 PolarHBondContact SG-NE2 2.94Å; C316-Q320 WeakPolarHBondContact O-CB 3.47Å; C316-Q320 WeakPolarHBondContact O-CG 3.48Å; C316-Q320 PolarHBondContact O-N 2.97Å; I318-Q320 PolarHBondContact O-N 2.85Å; Q320-I322 VanDerWaalsContact C-N 3.32Å; Q320-S324 PolarHBondContact O-N 3Å; Q320-T328 VanDerWaalsContact CG-O 3.23Å; Q320-T328 WeakPolarHBondContact CG-O 3.11Å |
| 321 | Q | 55.5 | Low | 59.6 | Low | 156 Ų | 156 | 64.5 Ų | 64.5 | 73% | 0.729 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -63.7 | -41.1 | 172.7 | -75.6 | -175.5 | -8 | 0 | 0 | 111.2 | N65 P317 I318 F319 | N65-Q321 PolarHBondContact OD1-O 2.92Å; P317-Q321 PolarHBondContact O-N 2.97Å; I318-Q321 WeakPolarHBondContact O-CB 3.13Å; I318-Q321 PolarHBondContact O-N 3.37Å; F319-Q321 VanDerWaalsContact C-N 3.33Å |
| 322 | I | 49 | Very low | 59.3 | Low | 20 Ų | 20 | 63 Ų | 63 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.9 | -50.9 | 178.8 | -61.4 | 164.7 | 0 | 0 | 0 | 110.6 | N65 W295 I318 F319 Q320 S324 L338 W341 | N65-I322 PolarHBondContact ND2-O 3.46Å; N65-I322 PolarHBondContact OD1-O 3.37Å; W295-I322 HydrophobicContact CH2-CG2 4.21Å; W295-I322 WeakPolarHBondContact CH2-O 3.36Å; W295-I322 VanDerWaalsContact CZ2-O 3.28Å; W295-I322 WeakPolarHBondContact CZ2-O 3.48Å; I318-I322 HydrophobicContact CG2-CD1 3.98Å; I318-I322 WeakPolarHBondContact O-CG1 3.32Å; I318-I322 PolarHBondContact O-N 3.35Å; I318-I322 VanDerWaalsContact O-N 3.13Å; F319-I322 PolarHBondContact O-N 3.21Å; Q320-I322 VanDerWaalsContact C-N 3.32Å; I322-S324 PolarHBondContact O-N 3.12Å; I322-S324 VanDerWaalsContact O-N 3.13Å; I322-L338 HydrophobicContact CD1-CD2 4.15Å; I322-L338 HydrophobicContact CG2-CD2 3.8Å; I322-W341 HydrophobicContact CD1-CE3 4.29Å; I322-W341 HydrophobicContact CD1-CZ3 4.03Å; I322-W341 HydrophobicContact CG1-CZ3 4.2Å; I322-W341 HydrophobicContact CG2-CH2 4.17Å; I322-W341 HydrophobicContact CG2-CZ3 3.77Å |
| 323 | A | 53.1 | Low | 59 | Low | 19 Ų | 19 | 67 Ų | 67 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.6 | -11.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F319 A325 | F319-A323 VanDerWaalsContact O-CB 3.28Å; F319-A323 WeakPolarHBondContact O-CB 3.3Å; F319-A323 PolarHBondContact O-N 3.23Å; A323-A325 PolarHBondContact O-N 3.47Å |
| 324 | S | 48 | Very low | 58.6 | Low | 69 Ų | 69 | 63 Ų | 63 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | trans | 57.1 | 5.5 | -179.5 | -63.1 | 0 | 0 | 0 | 0 | 115.8 | P64 Q320 I322 | P64-S324 WeakPolarHBondContact CB-OG 3.44Å; Q320-S324 PolarHBondContact O-N 3Å; I322-S324 PolarHBondContact O-N 3.12Å; I322-S324 VanDerWaalsContact O-N 3.13Å | ||
| 325 | A | 54.5 | Low | 58.1 | Low | 39 Ų | 39 | 56.6 Ų | 56.6 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | trans | -108.9 | 99.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A323 G327 T328 | A323-A325 PolarHBondContact O-N 3.47Å; A325-G327 PolarHBondContact O-N 3.5Å; A325-T328 WeakPolarHBondContact CB-OG1 3.39Å; A325-T328 PolarHBondContact O-N 3.47Å; A325-T328 PolarHBondContact O-OG1 3.2Å | ||
| 326 | K | 57 | Low | 57.7 | Low | 209 Ų | 209 | 62.4 Ų | 62.4 | 91% | 0.909 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133 | 177.4 | -94.5 | -174.7 | 176.7 | 178.7 | 0 | 111.1 | T328 | K326-T328 VanDerWaalsContact C-N 3.26Å; K326-T328 PolarHBondContact O-N 2.97Å |
| 327 | G | 59.7 | Low | 57.2 | Low | 39 Ų | 39 | 65.4 Ų | 65.4 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -7.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115 | C304 A325 | C304-G327 PolarHBondContact N-O 3.01Å; C304-G327 VanDerWaalsContact N-O 3.12Å; A325-G327 PolarHBondContact O-N 3.5Å |
| 328 | T | 61.2 | Low | 56.8 | Low | 39 Ų | 39 | 62.2 Ų | 62.2 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 149 | 176.2 | 67.1 | 0 | 0 | 0 | 0 | 111.9 | Q302 Q320 A325 K326 | Q302-T328 CarbonylContact O-C 3.43Å; Q302-T328 VanDerWaalsContact O-CA 3.24Å; Q302-T328 WeakPolarHBondContact O-CA 3.49Å; Q320-T328 VanDerWaalsContact CG-O 3.23Å; Q320-T328 WeakPolarHBondContact CG-O 3.11Å; A325-T328 WeakPolarHBondContact CB-OG1 3.39Å; A325-T328 PolarHBondContact O-N 3.47Å; A325-T328 PolarHBondContact O-OG1 3.2Å; K326-T328 VanDerWaalsContact C-N 3.26Å; K326-T328 PolarHBondContact O-N 2.97Å |
| 329 | C | 60.6 | Low | 56.6 | Low | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 144.1 | 175.3 | -144.1 | 0 | 0 | 0 | 0 | 109.2 | G301 Q302 C304 V307 C316 | G301-C329 CarbonylContact C-O 3.37Å; G301-C329 WeakPolarHBondContact CA-O 3.3Å; Q302-C329 HydrophobicContact CG-CB 3.85Å; Q302-C329 WeakPolarHBondContact CG-O 3.33Å; Q302-C329 PolarHBondContact N-O 2.79Å; Q302-C329 PolarHBondContact O-N 3.04Å; C304-C329 HydrophobicContact CB-CB 4.45Å; C304-C329 VanDerWaalsContact SG-CB 3.51Å; C304-C329 VanDerWaalsContact SG-SG 3.64Å; V307-C329 HydrophobicContact CG2-CB 4Å; C316-C329 PolarHBondContact SG-SG 3.34Å |
| 330 | P | 58.8 | Low | 56.2 | Low | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.052 | 33% | 0.332 | C | S | . | . | trans | -55.9 | 146.6 | 168 | -21 | 31.9 | 0 | 0 | 0 | 111 | F319 L338 | F319-P330 VanDerWaalsContact CB-CD 3.47Å; F319-P330 HydrophobicContact CB-CG 3.71Å; F319-P330 HydrophobicContact CD2-CG 4.44Å; F319-P330 HydrophobicContact CG-CG 4.07Å; P330-L338 HydrophobicContact CB-CD1 3.8Å; P330-L338 HydrophobicContact CG-CD1 3.35Å | ||
| 331 | K | 62.1 | Low | 55.8 | Low | 89 Ų | 89 | 65.8 Ų | 65.8 | 39% | 0.387 | 33% | 0.327 | S | S | . | . | trans | -61.2 | 152.5 | 173.8 | -67.6 | 173.5 | -176.1 | 167.9 | 0 | 110.2 | D300 D333 Y334 Q335 | D300-K331 VanDerWaalsContact O-CE 3.27Å; D300-K331 WeakPolarHBondContact O-CE 3.47Å; K331-D333 VanDerWaalsContact C-N 3.32Å; K331-D333 PolarHBondContact O-N 3.3Å; K331-Y334 HydrophobicContact CB-CD2 3.71Å; K331-Y334 HydrophobicContact CB-CE2 4.08Å; K331-Y334 HydrophobicContact CD-CE2 4.32Å; K331-Y334 WeakPolarHBondContact O-CA 3.16Å; K331-Y334 WeakPolarHBondContact O-CB 3.02Å; K331-Y334 PolarHBondContact O-N 3.32Å; K331-Q335 PolarHBondContact O-N 3.29Å | ||
| 332 | P | 60 | Low | 55.6 | Low | 53 Ų | 53 | 64.7 Ų | 64.7 | 34% | 0.344 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -52.2 | -41.9 | -174.4 | -29.4 | 35.8 | 0 | 0 | 0 | 115.1 | Y334 Q335 | P332-Y334 PolarHBondContact O-N 3.37Å; P332-Q335 PolarHBondContact O-N 3.29Å; P332-Q335 VanDerWaalsContact O-N 3.09Å |
| 333 | D | 57.7 | Low | 55.8 | Low | 128 Ų | 128 | 70.7 Ų | 70.7 | 68% | 0.684 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.5 | -24.4 | 176.9 | -63.1 | -21.2 | 0 | 0 | 0 | 113.1 | K331 | K331-D333 VanDerWaalsContact C-N 3.32Å; K331-D333 PolarHBondContact O-N 3.3Å |
| 334 | Y | 56.9 | Low | 55.7 | Low | 53 Ų | 53 | 70.9 Ų | 70.9 | 21% | 0.208 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -96.1 | -21.8 | -178.7 | -60.9 | -96.4 | 0 | 0 | 0 | 113.2 | D297 Y298 K331 P332 W336 Q337 L338 | D297-Y334 HydrophobicContact CB-CE1 4.22Å; Y298-Y334 HydrophobicContact CE1-CD1 4.35Å; K331-Y334 HydrophobicContact CB-CD2 3.71Å; K331-Y334 HydrophobicContact CB-CE2 4.08Å; K331-Y334 HydrophobicContact CD-CE2 4.32Å; K331-Y334 WeakPolarHBondContact O-CA 3.16Å; K331-Y334 WeakPolarHBondContact O-CB 3.02Å; K331-Y334 PolarHBondContact O-N 3.32Å; P332-Y334 PolarHBondContact O-N 3.37Å; Y334-W336 PolarHBondContact O-N 2.92Å; Y334-Q337 WeakPolarHBondContact O-CA 3.33Å; Y334-Q337 WeakPolarHBondContact O-CB 3.45Å; Y334-Q337 PolarHBondContact O-N 3.33Å; Y334-L338 WeakPolarHBondContact O-CG 3.43Å; Y334-L338 PolarHBondContact O-N 2.96Å |
| 335 | Q | 57.7 | Low | 56.1 | Low | 7 Ų | 7 | 75.2 Ų | 75.2 | 3% | 0.033 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60 | -37.3 | 172.5 | -64.2 | 169.3 | -17.2 | 0 | 0 | 110.1 | E312 F319 K331 P332 Q337 L338 L339 | E312-Q335 VanDerWaalsContact CD-CD 3.44Å; E312-Q335 VanDerWaalsContact CG-CD 3.5Å; E312-Q335 PolarHBondContact OE1-OE1 3.01Å; E312-Q335 PolarHBondContact OE2-NE2 3.43Å; E312-Q335 PolarHBondContact OE2-OE1 2.91Å; F319-Q335 HydrophobicContact CD2-CG 4.23Å; F319-Q335 HydrophobicContact CE2-CB 3.91Å; F319-Q335 HydrophobicContact CE2-CG 3.62Å; F319-Q335 HydrophobicContact CZ-CB 3.99Å; F319-Q335 HydrophobicContact CZ-CG 4.2Å; K331-Q335 PolarHBondContact O-N 3.29Å; P332-Q335 PolarHBondContact O-N 3.29Å; P332-Q335 VanDerWaalsContact O-N 3.09Å; Q335-Q337 VanDerWaalsContact C-N 3.33Å; Q335-Q337 PolarHBondContact O-N 3.37Å; Q335-L338 CarbonylContact O-C 3.57Å; Q335-L338 PolarHBondContact O-N 3.33Å; Q335-L339 WeakPolarHBondContact O-CB 3.22Å; Q335-L339 VanDerWaalsContact O-CG 3.23Å; Q335-L339 WeakPolarHBondContact O-CG 3.29Å; Q335-L339 PolarHBondContact O-N 3.16Å |
| 336 | W | 54.7 | Low | 56.5 | Low | 160 Ų | 160 | 75 Ų | 75 | 61% | 0.606 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -66 | -31.6 | 171.8 | -65.3 | 109.7 | 0 | 0 | 0 | 113.7 | Y334 L339 R340 | Y334-W336 PolarHBondContact O-N 2.92Å; W336-L339 HydrophobicContact CE3-CD1 3.92Å; W336-L339 HydrophobicContact CZ3-CD1 4.11Å; W336-R340 VanDerWaalsContact O-CB 3.23Å; W336-R340 WeakPolarHBondContact O-CB 3.39Å; W336-R340 WeakPolarHBondContact O-CG 3.37Å; W336-R340 PolarHBondContact O-N 2.82Å |
| 337 | Q | 53.5 | Low | 57.1 | Low | 71 Ų | 71 | 66.5 Ų | 66.5 | 33% | 0.332 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70 | -40.2 | 173.1 | -66.5 | -174.2 | 1.9 | 0 | 0 | 110.6 | Y334 Q335 R340 W341 | Y334-Q337 WeakPolarHBondContact O-CA 3.33Å; Y334-Q337 WeakPolarHBondContact O-CB 3.45Å; Y334-Q337 PolarHBondContact O-N 3.33Å; Q335-Q337 VanDerWaalsContact C-N 3.33Å; Q335-Q337 PolarHBondContact O-N 3.37Å; Q337-R340 CarbonylContact O-C 3.51Å; Q337-R340 PolarHBondContact O-N 3.22Å; Q337-W341 VanDerWaalsContact O-CB 3.29Å; Q337-W341 WeakPolarHBondContact O-CB 3.34Å; Q337-W341 PolarHBondContact O-N 3.24Å |
| 338 | L | 54.4 | Low | 57.6 | Low | 6 Ų | 6 | 69.4 Ų | 69.4 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.2 | -34.6 | 176.5 | -67.5 | 166.5 | 0 | 0 | 0 | 112.9 | F319 I322 P330 Y334 Q335 W341 H342 | F319-L338 HydrophobicContact CB-CD1 4.38Å; F319-L338 HydrophobicContact CD1-CB 3.78Å; F319-L338 HydrophobicContact CD1-CD1 3.37Å; F319-L338 HydrophobicContact CD1-CG 4.13Å; F319-L338 HydrophobicContact CE1-CB 3.3Å; F319-L338 HydrophobicContact CE1-CD1 3.72Å; F319-L338 HydrophobicContact CE1-CG 4.13Å; F319-L338 HydrophobicContact CG-CD1 3.91Å; F319-L338 HydrophobicContact CZ-CB 4.12Å; F319-L338 HydrophobicContact CZ-CD1 4.47Å; I322-L338 HydrophobicContact CD1-CD2 4.15Å; I322-L338 HydrophobicContact CG2-CD2 3.8Å; P330-L338 HydrophobicContact CB-CD1 3.8Å; P330-L338 HydrophobicContact CG-CD1 3.35Å; Y334-L338 WeakPolarHBondContact O-CG 3.43Å; Y334-L338 PolarHBondContact O-N 2.96Å; Q335-L338 CarbonylContact O-C 3.57Å; Q335-L338 PolarHBondContact O-N 3.33Å; L338-W341 HydrophobicContact CD2-CE3 4.37Å; L338-W341 CarbonylContact O-C 3.39Å; L338-W341 WeakPolarHBondContact O-CA 3.45Å; L338-W341 WeakPolarHBondContact O-CB 3.37Å; L338-W341 PolarHBondContact O-N 3.38Å; L338-H342 PolarHBondContact O-N 3.18Å |
| 339 | L | 55.4 | Low | 58.2 | Low | 18 Ų | 18 | 67.6 Ų | 67.6 | 9% | 0.094 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.5 | -49.2 | 169.9 | -72.8 | 167.5 | 0 | 0 | 0 | 109.6 | F315 F319 Q335 W336 W341 H342 F343 | F315-L339 HydrophobicContact CD1-CD2 4.18Å; F315-L339 HydrophobicContact CD2-CD2 3.96Å; F315-L339 HydrophobicContact CE1-CD2 3.8Å; F315-L339 HydrophobicContact CE2-CD2 3.57Å; F315-L339 HydrophobicContact CG-CD2 4.29Å; F315-L339 HydrophobicContact CZ-CD2 3.49Å; F315-L339 VanDerWaalsContact CZ-CD2 3.49Å; F319-L339 HydrophobicContact CZ-CG 4.45Å; Q335-L339 WeakPolarHBondContact O-CB 3.22Å; Q335-L339 VanDerWaalsContact O-CG 3.23Å; Q335-L339 WeakPolarHBondContact O-CG 3.29Å; Q335-L339 PolarHBondContact O-N 3.16Å; W336-L339 HydrophobicContact CE3-CD1 3.92Å; W336-L339 HydrophobicContact CZ3-CD1 4.11Å; L339-W341 PolarHBondContact O-N 3.15Å; L339-W341 VanDerWaalsContact O-N 3.13Å; L339-H342 CarbonylContact O-C 3.59Å; L339-H342 WeakPolarHBondContact O-CA 3.3Å; L339-H342 WeakPolarHBondContact O-CB 3.4Å; L339-H342 PolarHBondContact O-N 3.43Å; L339-F343 HydrophobicContact CB-CD2 4.24Å; L339-F343 HydrophobicContact CB-CE2 4.23Å; L339-F343 HydrophobicContact CD2-CE2 3.91Å; L339-F343 WeakPolarHBondContact O-CB 3.39Å; L339-F343 WeakPolarHBondContact O-CD2 3.45Å; L339-F343 WeakPolarHBondContact O-CG 3.43Å; L339-F343 PolarHBondContact O-N 2.99Å |
| 340 | R | 51 | Low | 58.6 | Low | 153 Ų | 153 | 71.8 Ų | 71.8 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -55.2 | -30.4 | 169.8 | -88.9 | -172.7 | -80.2 | -156.5 | -4.9 | 112.1 | W336 Q337 F343 A344 | W336-R340 VanDerWaalsContact O-CB 3.23Å; W336-R340 WeakPolarHBondContact O-CB 3.39Å; W336-R340 WeakPolarHBondContact O-CG 3.37Å; W336-R340 PolarHBondContact O-N 2.82Å; Q337-R340 CarbonylContact O-C 3.51Å; Q337-R340 PolarHBondContact O-N 3.22Å; R340-F343 CarbonylContact O-C 3.6Å; R340-F343 PolarHBondContact O-N 3.49Å; R340-A344 WeakPolarHBondContact O-CA 3.08Å; R340-A344 WeakPolarHBondContact O-CB 3.33Å; R340-A344 PolarHBondContact O-N 2.86Å |
| 341 | W | 50.9 | Low | 59.1 | Low | 45 Ų | 45 | 72.1 Ų | 72.1 | 17% | 0.17 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 175.6 | -146.8 | 58.3 | 0 | 0 | 0 | 113.2 | F67 P289 I322 Q337 L338 L339 F343 | F67-W341 HydrophobicContact CB-CH2 3.95Å; F67-W341 HydrophobicContact CB-CZ2 3.66Å; F67-W341 HydrophobicContact CD1-CD2 4.34Å; F67-W341 HydrophobicContact CD1-CE3 4.09Å; F67-W341 AromaticContact CD1-CH2 3.49Å; F67-W341 HydrophobicContact CD1-CH2 3.49Å; F67-W341 VanDerWaalsContact CD1-CH2 3.49Å; F67-W341 AromaticContact CD1-CZ2 3.61Å; F67-W341 HydrophobicContact CD1-CZ2 3.61Å; F67-W341 AromaticContact CD1-CZ3 3.69Å; F67-W341 HydrophobicContact CD1-CZ3 3.69Å; F67-W341 AromaticContact CD2-CH2 2.87Å; F67-W341 HydrophobicContact CD2-CH2 2.87Å; F67-W341 AromaticContact CD2-CZ2 3.55Å; F67-W341 HydrophobicContact CD2-CZ2 3.55Å; F67-W341 AromaticContact CD2-CZ3 3.5Å; F67-W341 HydrophobicContact CD2-CZ3 3.5Å; F67-W341 HydrophobicContact CE1-CD2 4.28Å; F67-W341 AromaticContact CE1-CE3 3.63Å; F67-W341 HydrophobicContact CE1-CE3 3.63Å; F67-W341 AromaticContact CE1-CH2 3.61Å; F67-W341 HydrophobicContact CE1-CH2 3.61Å; F67-W341 HydrophobicContact CE1-CZ2 4.12Å; F67-W341 AromaticContact CE1-CZ3 3.29Å; F67-W341 HydrophobicContact CE1-CZ3 3.29Å; F67-W341 HydrophobicContact CE2-CE3 4.19Å; F67-W341 AromaticContact CE2-CH2 3Å; F67-W341 HydrophobicContact CE2-CH2 3Å; F67-W341 HydrophobicContact CE2-CZ2 4.05Å; F67-W341 AromaticContact CE2-CZ3 3.05Å; F67-W341 HydrophobicContact CE2-CZ3 3.05Å; F67-W341 AromaticContact CG-CH2 3.12Å; F67-W341 HydrophobicContact CG-CH2 3.12Å; F67-W341 AromaticContact CG-CZ2 3.28Å; F67-W341 HydrophobicContact CG-CZ2 3.28Å; F67-W341 AromaticContact CG-CZ3 3.78Å; F67-W341 HydrophobicContact CG-CZ3 3.78Å; F67-W341 AromaticContact CZ-CE3 3.69Å; F67-W341 HydrophobicContact CZ-CE3 3.69Å; F67-W341 AromaticContact CZ-CH2 3.38Å; F67-W341 HydrophobicContact CZ-CH2 3.38Å; F67-W341 HydrophobicContact CZ-CZ2 4.32Å; F67-W341 AromaticContact CZ-CZ3 2.94Å; F67-W341 HydrophobicContact CZ-CZ3 2.94Å; P289-W341 HydrophobicContact CG-CZ2 4.31Å; I322-W341 HydrophobicContact CD1-CE3 4.29Å; I322-W341 HydrophobicContact CD1-CZ3 4.03Å; I322-W341 HydrophobicContact CG1-CZ3 4.2Å; I322-W341 HydrophobicContact CG2-CH2 4.17Å; I322-W341 HydrophobicContact CG2-CZ3 3.77Å; Q337-W341 VanDerWaalsContact O-CB 3.29Å; Q337-W341 WeakPolarHBondContact O-CB 3.34Å; Q337-W341 PolarHBondContact O-N 3.24Å; L338-W341 HydrophobicContact CD2-CE3 4.37Å; L338-W341 CarbonylContact O-C 3.39Å; L338-W341 WeakPolarHBondContact O-CA 3.45Å; L338-W341 WeakPolarHBondContact O-CB 3.37Å; L338-W341 PolarHBondContact O-N 3.38Å; L339-W341 PolarHBondContact O-N 3.15Å; L339-W341 VanDerWaalsContact O-N 3.13Å; W341-F343 VanDerWaalsContact C-N 3.3Å |
| 342 | H | 50.9 | Low | 59.3 | Low | 133 Ų | 133 | 72.3 Ų | 72.3 | 62% | 0.616 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -69.5 | -31 | 173.5 | -165.7 | 66 | 0 | 0 | 0 | 111.8 | L338 L339 | L338-H342 PolarHBondContact O-N 3.18Å; L339-H342 CarbonylContact O-C 3.59Å; L339-H342 WeakPolarHBondContact O-CA 3.3Å; L339-H342 WeakPolarHBondContact O-CB 3.4Å; L339-H342 PolarHBondContact O-N 3.43Å |
| 343 | F | 53.8 | Low | 59.7 | Low | 146 Ų | 146 | 70.2 Ų | 70.2 | 64% | 0.64 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -105.7 | 7.5 | -178.6 | -57.6 | -61.2 | 0 | 0 | 0 | 114.2 | L339 R340 W341 | L339-F343 HydrophobicContact CB-CD2 4.24Å; L339-F343 HydrophobicContact CB-CE2 4.23Å; L339-F343 HydrophobicContact CD2-CE2 3.91Å; L339-F343 WeakPolarHBondContact O-CB 3.39Å; L339-F343 WeakPolarHBondContact O-CD2 3.45Å; L339-F343 WeakPolarHBondContact O-CG 3.43Å; L339-F343 PolarHBondContact O-N 2.99Å; R340-F343 CarbonylContact O-C 3.6Å; R340-F343 PolarHBondContact O-N 3.49Å; W341-F343 VanDerWaalsContact C-N 3.3Å |
| 344 | A | 52 | Low | 60.1 | Low | 23 Ų | 23 | 65.5 Ų | 65.5 | 19% | 0.19 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -62.6 | 150.3 | -177 | 0 | 0 | 0 | 0 | 0 | 109.5 | R340 S346 | R340-A344 WeakPolarHBondContact O-CA 3.08Å; R340-A344 WeakPolarHBondContact O-CB 3.33Å; R340-A344 PolarHBondContact O-N 2.86Å; A344-S346 PolarHBondContact O-N 3.02Å |
| 345 | E | 55.2 | Low | 60.2 | Low | 160 Ų | 160 | 63 Ų | 63 | 75% | 0.748 | 28% | 0.283 | S | S | * | . | trans | -59 | 108.1 | 170.6 | -68.4 | -167.8 | 171.2 | 0 | 0 | 109.2 | ||||
| 346 | S | 63.4 | Low | 60.2 | Low | 35 Ų | 35 | 62.7 Ų | 62.7 | 25% | 0.245 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 137.2 | 176 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | D285 I286 A344 K348 | D285-S346 WeakPolarHBondContact CB-OG 3.23Å; I286-S346 CarbonylContact O-C 3.47Å; I286-S346 WeakPolarHBondContact O-CA 3.17Å; A344-S346 PolarHBondContact O-N 3.02Å; S346-K348 PolarHBondContact O-N 2.96Å |
| 347 | L | 68.8 | Low | 60.8 | Low | 30 Ų | 30 | 55.3 Ų | 55.3 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 116.5 | 170.3 | -67.9 | -159.8 | 0 | 0 | 0 | 109.6 | L42 L50 Y51 V57 I286 I288 | L42-L347 HydrophobicContact CD1-CD1 3.34Å; L42-L347 HydrophobicContact CD2-CD1 4.07Å; L42-L347 HydrophobicContact CG-CD1 4.34Å; L50-L347 HydrophobicContact CB-CD1 4.32Å; L50-L347 HydrophobicContact CD2-CD1 4.39Å; Y51-L347 HydrophobicContact CE2-CD1 4.49Å; Y51-L347 HydrophobicContact CE2-CD2 3.76Å; Y51-L347 WeakPolarHBondContact OH-CA 3.43Å; Y51-L347 WeakPolarHBondContact OH-CB 3.35Å; V57-L347 HydrophobicContact CG1-CD1 4.35Å; I286-L347 HydrophobicContact CB-CB 4.21Å; I286-L347 PolarHBondContact N-O 2.86Å; I286-L347 PolarHBondContact O-N 3.19Å; I288-L347 HydrophobicContact CD1-CB 4.09Å; I288-L347 HydrophobicContact CD1-CD1 3.17Å; I288-L347 HydrophobicContact CD1-CG 3.38Å; I288-L347 HydrophobicContact CG1-CB 4.39Å; I288-L347 HydrophobicContact CG1-CD1 4.2Å; I288-L347 HydrophobicContact CG1-CG 3.87Å |
| 348 | K | 70.5 | Confident | 61.8 | Low | 101 Ų | 101 | 52.3 Ų | 52.3 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 128.7 | -179.9 | -57.8 | -177.9 | 168.6 | -174.4 | 0 | 110 | Y51 Q283 S346 Y350 | Y51-K348 PolarHBondContact OH-N 2.94Å; Y51-K348 PolarHBondContact OH-O 3.26Å; Q283-K348 VanDerWaalsContact NE2-CG 3.27Å; S346-K348 PolarHBondContact O-N 2.96Å; K348-Y350 HydrophobicContact CB-CE2 4.26Å |
| 349 | V | 73.4 | Confident | 62.6 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 134.7 | 176 | -157.2 | 0 | 0 | 0 | 0 | 110.5 | Y40 L42 W257 Q283 V284 I286 | Y40-V349 HydrophobicContact CE1-CG1 3.86Å; Y40-V349 HydrophobicContact CE1-CG2 4.12Å; Y40-V349 VanDerWaalsContact OH-CG1 3.22Å; Y40-V349 WeakPolarHBondContact OH-CG1 3.35Å; L42-V349 HydrophobicContact CD2-CG2 4.18Å; W257-V349 HydrophobicContact CH2-CB 3.76Å; W257-V349 HydrophobicContact CH2-CG1 3.55Å; W257-V349 HydrophobicContact CZ2-CB 4.17Å; W257-V349 HydrophobicContact CZ2-CG1 4.2Å; W257-V349 VanDerWaalsContact CZ2-O 3.28Å; W257-V349 WeakPolarHBondContact CZ2-O 3.42Å; Q283-V349 CarbonylContact C-O 3.44Å; Q283-V349 WeakPolarHBondContact CA-O 3.42Å; Q283-V349 VanDerWaalsContact CB-O 3.25Å; Q283-V349 WeakPolarHBondContact CB-O 3.46Å; V284-V349 PolarHBondContact N-O 2.87Å; V284-V349 PolarHBondContact O-N 3.35Å; I286-V349 HydrophobicContact CD1-CG2 3.46Å; I286-V349 VanDerWaalsContact CD1-CG2 3.46Å; I286-V349 HydrophobicContact CG1-CG2 3.77Å |
| 350 | Y | 70.3 | Confident | 63.6 | Low | 89 Ų | 89 | 53.8 Ų | 53.8 | 35% | 0.349 | 25% | 0.248 | S | C | . | . | trans | -106.9 | 148.7 | -173.8 | -58.2 | -91.2 | 0 | 0 | 0 | 111.1 | W257 Q283 K348 E352 | W257-Y350 WeakPolarHBondContact CZ2-O 3.42Å; Q283-Y350 HydrophobicContact CB-CD1 3.85Å; Q283-Y350 HydrophobicContact CB-CE1 3.91Å; Q283-Y350 HydrophobicContact CB-CG 4.43Å; Q283-Y350 VanDerWaalsContact OE1-CE1 3.28Å; Q283-Y350 PolarHBondContact OE1-OH 3.49Å; K348-Y350 HydrophobicContact CB-CE2 4.26Å; Y350-E352 PolarHBondContact O-N 2.82Å | ||
| 351 | N | 68.8 | Low | 64.7 | Low | 15 Ų | 15 | 47.5 Ų | 47.5 | 8% | 0.08 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 32.4 | -179.7 | 53.2 | 10.1 | 0 | 0 | 0 | 114 | W257 K259 L260 L280 L281 A356 | W257-N351 HydrophobicContact CG-CB 4.46Å; W257-N351 HydrophobicContact CZ2-CB 4.43Å; K259-N351 WeakPolarHBondContact CA-O 3.22Å; L260-N351 WeakPolarHBondContact CD1-ND2 3.37Å; L260-N351 PolarHBondContact N-O 2.84Å; L280-N351 PolarHBondContact O-ND2 2.94Å; L281-N351 PolarHBondContact O-ND2 3.44Å; N351-A356 HydrophobicContact CB-CB 4.39Å |
| 352 | E | 65.2 | Low | 65.5 | Low | 93 Ų | 93 | 52.7 Ų | 52.7 | 44% | 0.435 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -10 | -177.3 | -63.6 | 176.6 | 167.1 | 0 | 0 | 112.1 | R45 K259 Y350 | R45-E352 IonicContact CZ-OE2 2.71Å; R45-E352 IonicContact NH1-OE2 3.74Å; R45-E352 IonicContact NH2-OE2 3.33Å; R45-E352 PolarHBondContact NH2-OE2 2.85Å; K259-E352 WeakPolarHBondContact CE-O 3.19Å; Y350-E352 PolarHBondContact O-N 2.82Å |
| 353 | N | 68.9 | Low | 65.8 | Low | 9 Ų | 9 | 49.1 Ų | 49.1 | 5% | 0.048 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -123.5 | 159.2 | -158.9 | -62.5 | -20.5 | 0 | 0 | 0 | 113 | P43 D157 A158 G355 A356 | P43-N353 WeakPolarHBondContact CB-ND2 2.79Å; D157-N353 HydrophobicContact CB-CB 4.14Å; D157-N353 PolarHBondContact OD1-OD1 2.93Å; A158-N353 HydrophobicContact CB-CB 4Å; A158-N353 PolarHBondContact N-ND2 3.3Å; N353-G355 PolarHBondContact O-N 3.36Å; N353-A356 WeakPolarHBondContact O-CB 3.23Å; N353-A356 PolarHBondContact O-N 2.81Å |
| 354 | D | 67 | Low | 65.9 | Low | 29 Ų | 29 | 54.7 Ų | 54.7 | 16% | 0.155 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -65.1 | -23.3 | -179.9 | -72.3 | 0.5 | 0 | 0 | 0 | 112.9 | K115 K259 A356 | K115-D354 IonicContact NZ-OD1 2.63Å; K115-D354 IonicContact NZ-OD2 3.22Å; K115-D354 PolarHBondContact NZ-OD2 3.15Å; K259-D354 IonicContact NZ-OD1 2.76Å; K259-D354 PolarHBondContact NZ-OD1 3.45Å; D354-A356 PolarHBondContact O-N 2.96Å |
| 355 | G | 58.5 | Low | 65.9 | Low | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -72.4 | -0.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y40 A158 N353 W358 | Y40-G355 WeakPolarHBondContact CE2-O 3.13Å; A158-G355 WeakPolarHBondContact O-CA 3.3Å; A158-G355 PolarHBondContact O-N 2.77Å; N353-G355 PolarHBondContact O-N 3.36Å; G355-W358 PolarHBondContact O-NE1 2.99Å |
| 356 | A | 56.9 | Low | 65.8 | Low | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -90 | 6.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | W257 A258 N351 N353 D354 W358 | W257-A356 CarbonylContact C-O 3.45Å; W257-A356 HydrophobicContact CD2-CB 4.08Å; W257-A356 HydrophobicContact CE3-CB 3.89Å; W257-A356 VanDerWaalsContact CE3-O 3.32Å; W257-A356 HydrophobicContact CH2-CB 4.01Å; W257-A356 HydrophobicContact CZ2-CB 4.21Å; W257-A356 HydrophobicContact CZ3-CB 3.87Å; A258-A356 WeakPolarHBondContact CA-O 2.79Å; A258-A356 PolarHBondContact N-O 2.83Å; N351-A356 HydrophobicContact CB-CB 4.39Å; N353-A356 WeakPolarHBondContact O-CB 3.23Å; N353-A356 PolarHBondContact O-N 2.81Å; D354-A356 PolarHBondContact O-N 2.96Å; A356-W358 PolarHBondContact O-N 3.34Å; A356-W358 VanDerWaalsContact O-N 3.08Å |
| 357 | S | 68.7 | Low | 65.3 | Low | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | trans | -84.3 | 75.6 | -175.9 | -59.4 | 0 | 0 | 0 | 0 | 113 | W257 T371 | W257-S357 CarbonylContact O-C 3.58Å; W257-S357 WeakPolarHBondContact O-CA 2.9Å; S357-T371 WeakPolarHBondContact CB-O 2.99Å; S357-T371 PolarHBondContact O-N 3.32Å | ||
| 358 | W | 73.8 | Confident | 64.4 | Low | 8 Ų | 8 | 59 Ų | 59 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 138.9 | -177 | -54.4 | 6 | 0 | 0 | 0 | 110.1 | Y40 W68 M160 V256 W257 V284 I286 G355 A356 L360 | Y40-W358 AromaticContact CD2-CZ2 3.75Å; Y40-W358 HydrophobicContact CD2-CZ2 3.75Å; Y40-W358 HydrophobicContact CE1-CZ2 4.46Å; Y40-W358 AromaticContact CE2-CZ2 3.49Å; Y40-W358 HydrophobicContact CE2-CZ2 3.49Å; Y40-W358 VanDerWaalsContact CE2-CZ2 3.49Å; Y40-W358 HydrophobicContact CG-CZ2 4.31Å; Y40-W358 AromaticContact CZ-CZ2 3.85Å; W68-W358 HydrophobicContact CZ2-CH2 4.27Å; M160-W358 HydrophobicContact CE-CD2 4.37Å; M160-W358 HydrophobicContact CE-CH2 4.48Å; M160-W358 HydrophobicContact CE-CZ2 3.43Å; M160-W358 VanDerWaalsContact CE-CZ2 3.43Å; V256-W358 CarbonylContact C-O 3.57Å; V256-W358 WeakPolarHBondContact CA-O 3.24Å; W257-W358 HydrophobicContact CB-CB 4.28Å; W257-W358 HydrophobicContact CE3-CB 4.28Å; W257-W358 AromaticContact CE3-CD2 3.57Å; W257-W358 HydrophobicContact CE3-CD2 3.57Å; W257-W358 AromaticContact CE3-CE2 3.81Å; W257-W358 HydrophobicContact CE3-CE3 4.01Å; W257-W358 AromaticContact CE3-CG 3.72Å; W257-W358 HydrophobicContact CE3-CG 3.72Å; W257-W358 HydrophobicContact CE3-CZ2 4.44Å; W257-W358 AromaticContact CE3-NE1 3.98Å; W257-W358 AromaticContact CZ3-CD2 3.78Å; W257-W358 HydrophobicContact CZ3-CD2 3.78Å; W257-W358 AromaticContact CZ3-CE2 3.52Å; W257-W358 HydrophobicContact CZ3-CE3 4.21Å; W257-W358 HydrophobicContact CZ3-CG 4.25Å; W257-W358 HydrophobicContact CZ3-CH2 4.24Å; W257-W358 AromaticContact CZ3-CZ2 3.78Å; W257-W358 HydrophobicContact CZ3-CZ2 3.78Å; W257-W358 HydrophobicContact CZ3-CZ3 4.43Å; W257-W358 AromaticContact CZ3-NE1 3.79Å; W257-W358 PolarHBondContact N-O 2.66Å; W257-W358 PolarHBondContact O-N 2.94Å; W257-W358 VanDerWaalsContact O-O 3.04Å; V284-W358 HydrophobicContact CG1-CZ3 4Å; I286-W358 HydrophobicContact CD1-CH2 4.1Å; I286-W358 HydrophobicContact CG1-CH2 4.38Å; G355-W358 PolarHBondContact O-NE1 2.99Å; A356-W358 PolarHBondContact O-N 3.34Å; A356-W358 VanDerWaalsContact O-N 3.08Å; W358-L360 HydrophobicContact CE3-CD2 4.38Å |
| 359 | A | 72.3 | Confident | 63.6 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 116.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y242 L246 F254 V255 V256 C369 | Y242-A359 HydrophobicContact CD1-CB 3.97Å; Y242-A359 HydrophobicContact CE1-CB 3.82Å; L246-A359 HydrophobicContact CD2-CB 4.06Å; F254-A359 HydrophobicContact CB-CB 4.26Å; F254-A359 HydrophobicContact CD1-CB 3.77Å; F254-A359 HydrophobicContact CG-CB 4.27Å; V255-A359 WeakPolarHBondContact O-CA 3.12Å; V256-A359 HydrophobicContact CG2-CB 4.3Å; A359-C369 HydrophobicContact CB-CB 4.05Å; A359-C369 PolarHBondContact N-O 3.49Å; A359-C369 PolarHBondContact O-N 2.89Å |
| 360 | L | 76 | Confident | 62.6 | Low | 54 Ų | 54 | 57 Ų | 57 | 28% | 0.283 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.9 | -179.1 | -58.8 | 174.6 | 0 | 0 | 0 | 108.8 | F254 V255 W358 R362 W368 | F254-L360 CarbonylContact C-O 3.51Å; F254-L360 WeakPolarHBondContact CA-O 3.48Å; V255-L360 PolarHBondContact N-O 2.79Å; V255-L360 PolarHBondContact O-N 3.03Å; W358-L360 HydrophobicContact CE3-CD2 4.38Å; L360-R362 PolarHBondContact O-N 2.98Å; L360-W368 VanDerWaalsContact CD2-CD1 3.45Å |
| 361 | S | 74.3 | Confident | 61.9 | Low | 21 Ų | 21 | 53.1 Ų | 53.1 | 15% | 0.147 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 129.7 | 173.7 | 164.5 | 0 | 0 | 0 | 0 | 110.4 | S252 S253 N363 Y367 | S252-S361 PolarHBondContact OG-OG 2.85Å; S253-S361 CarbonylContact O-C 3.54Å; S253-S361 WeakPolarHBondContact O-CA 2.9Å; S361-N363 VanDerWaalsContact C-N 3.25Å; S361-N363 PolarHBondContact OG-N 3.2Å; S361-N363 VanDerWaalsContact OG-N 3.11Å; S361-N363 PolarHBondContact OG-O 2.96Å; S361-Y367 WeakPolarHBondContact CB-O 3.37Å; S361-Y367 PolarHBondContact N-O 3.13Å |
| 362 | R | 66.3 | Low | 61.1 | Low | 155 Ų | 155 | 53.8 Ų | 53.8 | 59% | 0.585 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -75.3 | -19.4 | 170.7 | -60.2 | -170.2 | 81.1 | 178.3 | 1.1 | 112.1 | S253 V255 E278 L360 | S253-R362 PolarHBondContact O-N 2.87Å; V255-R362 HydrophobicContact CG2-CG 3.63Å; E278-R362 IonicContact OE1-NH1 3.34Å; E278-R362 IonicContact OE2-CZ 3.75Å; E278-R362 IonicContact OE2-NE 3.53Å; E278-R362 IonicContact OE2-NH1 2.59Å; E278-R362 PolarHBondContact OE2-NH1 3.11Å; L360-R362 PolarHBondContact O-N 2.98Å |
| 363 | N | 58.6 | Low | 60.4 | Low | 58 Ų | 58 | 50.5 Ų | 50.5 | 31% | 0.31 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -80.6 | 151.4 | -178.1 | -60.3 | 3.1 | 0 | 0 | 0 | 110.4 | S252 S361 E365 G366 | S252-N363 WeakPolarHBondContact OG-CB 3.46Å; S252-N363 VanDerWaalsContact OG-CG 3.27Å; S252-N363 PolarHBondContact OG-ND2 3.17Å; S361-N363 VanDerWaalsContact C-N 3.25Å; S361-N363 PolarHBondContact OG-N 3.2Å; S361-N363 VanDerWaalsContact OG-N 3.11Å; S361-N363 PolarHBondContact OG-O 2.96Å; N363-E365 HydrophobicContact CB-CB 4.48Å; N363-E365 HydrophobicContact CB-CG 4.43Å; N363-E365 PolarHBondContact O-N 2.77Å; N363-G366 PolarHBondContact O-N 2.65Å |
| 364 | R | 54.5 | Low | 59.7 | Low | 262 Ų | 262 | 52.4 Ų | 52.4 | 99% | 0.989 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60 | -3.6 | 173.8 | -67.6 | -174.4 | -179.5 | 177.7 | -0.5 | 114.4 | G366 | R364-G366 PolarHBondContact O-N 3.09Š|
| 365 | E | 52.5 | Low | 59.1 | Low | 110 Ų | 110 | 51.4 Ų | 51.4 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -11.6 | 177.4 | -64.3 | 178.3 | 152.3 | 0 | 0 | 112.8 | N363 Y367 | N363-E365 HydrophobicContact CB-CB 4.48Å; N363-E365 HydrophobicContact CB-CG 4.43Å; N363-E365 PolarHBondContact O-N 2.77Å; E365-Y367 VanDerWaalsContact C-N 3.32Å; E365-Y367 HydrophobicContact CB-CD2 3.83Å; E365-Y367 HydrophobicContact CB-CE2 3.59Å; E365-Y367 HydrophobicContact CG-CE2 4.42Å; E365-Y367 PolarHBondContact O-N 2.62Å; E365-Y367 WeakPolarHBondContact OE2-CE2 3.47Å |
| 366 | G | 53.9 | Low | 58.9 | Low | 64 Ų | 64 | 54.3 Ų | 54.3 | 66% | 0.66 | 26% | 0.255 | S | S | * | . | trans | 71.9 | 19.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | N363 R364 W368 | N363-G366 PolarHBondContact O-N 2.65Å; R364-G366 PolarHBondContact O-N 3.09Å; G366-W368 PolarHBondContact O-N 2.98Å | ||
| 367 | Y | 52 | Low | 58.4 | Low | 85 Ų | 85 | 55.2 Ų | 55.2 | 33% | 0.333 | 26% | 0.261 | S | S | . | . | trans | -64.8 | 124.6 | 175.6 | -61.6 | -74.1 | 0 | 0 | 0 | 111.2 | S361 E365 | S361-Y367 WeakPolarHBondContact CB-O 3.37Å; S361-Y367 PolarHBondContact N-O 3.13Å; E365-Y367 VanDerWaalsContact C-N 3.32Å; E365-Y367 HydrophobicContact CB-CD2 3.83Å; E365-Y367 HydrophobicContact CB-CE2 3.59Å; E365-Y367 HydrophobicContact CG-CE2 4.42Å; E365-Y367 PolarHBondContact O-N 2.62Å; E365-Y367 WeakPolarHBondContact OE2-CE2 3.47Å | ||
| 368 | W | 50.5 | Low | 57 | Low | 79 Ų | 79 | 57.7 Ų | 57.7 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.6 | 167.6 | -178.9 | 87.9 | 0 | 0 | 0 | 108.4 | I38 M160 V162 L360 G366 | I38-W368 HydrophobicContact CD1-CD2 4.3Å; I38-W368 HydrophobicContact CD1-CE3 3.69Å; I38-W368 HydrophobicContact CD1-CH2 3.86Å; I38-W368 HydrophobicContact CD1-CZ2 4.46Å; I38-W368 HydrophobicContact CD1-CZ3 3.44Å; I38-W368 VanDerWaalsContact CD1-CZ3 3.44Å; I38-W368 HydrophobicContact CG1-CH2 4.18Å; I38-W368 HydrophobicContact CG1-CZ3 3.95Å; I38-W368 HydrophobicContact CG2-CH2 3.56Å; I38-W368 HydrophobicContact CG2-CZ2 4.08Å; I38-W368 HydrophobicContact CG2-CZ3 4.21Å; M160-W368 HydrophobicContact CE-CH2 4.1Å; M160-W368 HydrophobicContact CE-CZ2 3.67Å; M160-W368 HydrophobicContact SD-CH2 3.39Å; M160-W368 WeakPolarHBondContact SD-CH2 3.43Å; M160-W368 HydrophobicContact SD-CZ2 3.53Å; M160-W368 VanDerWaalsContact SD-CZ2 3.53Å; V162-W368 HydrophobicContact CG2-CH2 3.86Å; V162-W368 HydrophobicContact CG2-CZ3 3.83Å; L360-W368 VanDerWaalsContact CD2-CD1 3.45Å; G366-W368 PolarHBondContact O-N 2.98Å |
| 369 | C | 53.9 | Low | 55 | Low | 19 Ų | 19 | 65.3 Ų | 65.3 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.6 | -178.6 | -61.7 | 0 | 0 | 0 | 0 | 110 | L246 A359 | L246-C369 HydrophobicContact CD2-CB 4.28Å; A359-C369 HydrophobicContact CB-CB 4.05Å; A359-C369 PolarHBondContact N-O 3.49Å; A359-C369 PolarHBondContact O-N 2.89Å |
| 370 | Y | 51.9 | Low | 53 | Low | 41 Ų | 41 | 75 Ų | 75 | 16% | 0.161 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 139.3 | 157.5 | 173.3 | -97.3 | 0 | 0 | 0 | 108.9 | V137 H138 S139 M160 | V137-Y370 HydrophobicContact CG1-CD1 3.83Å; V137-Y370 HydrophobicContact CG1-CE1 3.61Å; H138-Y370 VanDerWaalsContact C-OH 3.27Å; H138-Y370 PolarHBondContact O-OH 3.48Å; S139-Y370 WeakPolarHBondContact CA-OH 3.39Å; S139-Y370 VanDerWaalsContact CB-OH 3.25Å; S139-Y370 WeakPolarHBondContact CB-OH 3.47Å; S139-Y370 PolarHBondContact N-OH 3.29Å; M160-Y370 HydrophobicContact CB-CD2 4.36Å; M160-Y370 HydrophobicContact CB-CE2 4.11Å; M160-Y370 HydrophobicContact CG-CD2 4.19Å; M160-Y370 HydrophobicContact CG-CE2 4.4Å; M160-Y370 HydrophobicContact SD-CD2 3.4Å; M160-Y370 WeakPolarHBondContact SD-CD2 3.34Å; M160-Y370 HydrophobicContact SD-CE2 4.09Å; M160-Y370 HydrophobicContact SD-CG 4.06Å |
| 371 | T | 55.1 | Low | 50.5 | Low | 8 Ų | 8 | 78 Ų | 78 | 5% | 0.049 | 37% | 0.37 | C | S | . | . | trans | -142.5 | 148.3 | 178 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | Y242 S357 F373 | Y242-T371 HydrophobicContact CE1-CG2 3.55Å; Y242-T371 VanDerWaalsContact CZ-CG2 3.49Å; Y242-T371 WeakPolarHBondContact OH-CG2 3.26Å; S357-T371 WeakPolarHBondContact CB-O 2.99Å; S357-T371 PolarHBondContact O-N 3.32Å; T371-F373 VanDerWaalsContact C-N 3.33Å; T371-F373 PolarHBondContact OG1-N 3.5Å | ||
| 372 | D | 52.2 | Low | 48 | Very low | 28 Ų | 28 | 81.1 Ų | 81.1 | 15% | 0.15 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -82.7 | -11.8 | 172.8 | 59.9 | -27 | 0 | 0 | 0 | 112.1 | N120 G121 Q181 | N120-D372 HydrophobicContact CB-CB 3.68Å; N120-D372 WeakPolarHBondContact CB-O 3.41Å; N120-D372 VanDerWaalsContact CG-O 3.3Å; N120-D372 PolarHBondContact ND2-O 3.28Å; G121-D372 VanDerWaalsContact CA-OD2 3.26Å; G121-D372 WeakPolarHBondContact CA-OD2 3.42Å; G121-D372 PolarHBondContact N-OD2 2.63Å; G121-D372 VanDerWaalsContact N-OD2 3.15Å; Q181-D372 PolarHBondContact NE2-OD2 2.98Å |
| 373 | F | 50.7 | Low | 45.8 | Very low | 24 Ų | 24 | 80.1 Ų | 80.1 | 11% | 0.105 | 40% | 0.397 | C | S | . | . | trans | -86.7 | 120 | -177.5 | -65.9 | -71.7 | 0 | 0 | 0 | 112.5 | R233 F241 Y242 T371 | R233-F373 HydrophobicContact CB-CE2 4.28Å; R233-F373 HydrophobicContact CB-CZ 4.21Å; R233-F373 WeakPolarHBondContact O-CZ 3.21Å; F241-F373 HydrophobicContact CB-CD2 4.49Å; F241-F373 HydrophobicContact CD1-CB 4.46Å; F241-F373 HydrophobicContact CD1-CD2 4.05Å; F241-F373 HydrophobicContact CD2-CD2 4.01Å; F241-F373 HydrophobicContact CD2-CE2 4.17Å; F241-F373 HydrophobicContact CE1-CD2 4.26Å; F241-F373 HydrophobicContact CE2-CD2 4.21Å; F241-F373 HydrophobicContact CE2-CE2 4.23Å; F241-F373 AromaticContact CG-CD2 3.91Å; F241-F373 HydrophobicContact CG-CD2 3.91Å; F241-F373 HydrophobicContact CG-CG 4.41Å; F241-F373 HydrophobicContact CZ-CD2 4.34Å; Y242-F373 WeakPolarHBondContact CE2-O 3.34Å; Y242-F373 PolarHBondContact OH-O 2.87Å; T371-F373 VanDerWaalsContact C-N 3.33Å; T371-F373 PolarHBondContact OG1-N 3.5Å | ||
| 374 | N | 54.8 | Low | 43.9 | Very low | 49 Ų | 49 | 83.9 Ų | 83.9 | 26% | 0.262 | 42% | 0.423 | S | S | . | . | trans | -63.3 | 139.3 | 155.1 | -69.8 | -24.9 | 0 | 0 | 0 | 108.6 | H376 | N374-H376 VanDerWaalsContact C-N 3.3Å; N374-H376 PolarHBondContact O-N 3.34Å | ||
| 375 | R | 54.8 | Low | 42.3 | Very low | 9 Ų | 9 | 81 Ų | 81 | 3% | 0.034 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -71 | 86.6 | 176.8 | -166.1 | -174.3 | -179 | -167.2 | 0 | 110.3 | D240 Y242 V256 M267 Q268 T270 V277 N279 | D240-R375 IonicContact OD1-NE 3.42Å; D240-R375 IonicContact OD2-CZ 3.95Å; D240-R375 IonicContact OD2-NE 2.69Å; D240-R375 PolarHBondContact OD2-NE 2.82Å; D240-R375 IonicContact OD2-NH2 3.57Å; D240-R375 PolarHBondContact OD2-NH2 2.77Å; Y242-R375 HydrophobicContact CD2-CB 3.87Å; Y242-R375 HydrophobicContact CD2-CG 3.71Å; Y242-R375 HydrophobicContact CE2-CB 3.69Å; Y242-R375 HydrophobicContact CE2-CG 4.08Å; V256-R375 HydrophobicContact CG1-CB 4.34Å; M267-R375 HydrophobicContact CB-CG 3.94Å; M267-R375 HydrophobicContact CG-CG 4.09Å; M267-R375 WeakPolarHBondContact CG-O 3.34Å; M267-R375 HydrophobicContact SD-CG 3.92Å; Q268-R375 PolarHBondContact O-NH2 2.63Å; Q268-R375 VanDerWaalsContact O-NH2 3.15Å; T270-R375 PolarHBondContact OG1-NH2 2.94Å; V277-R375 VanDerWaalsContact CG1-CZ 3.48Å; V277-R375 PolarHBondContact O-NH1 2.75Å; V277-R375 PolarHBondContact O-NH2 3.37Å; N279-R375 PolarHBondContact ND2-NH1 2.75Å; N279-R375 WeakPolarHBondContact OD1-CD 3.4Å; N279-R375 PolarHBondContact OD1-NH1 3.18Å |
| 376 | H | 53.1 | Low | 41.1 | Very low | 61 Ų | 61 | 87 Ų | 87 | 28% | 0.282 | 45% | 0.446 | S | S | . | . | trans | -143.5 | 144.7 | -178.9 | -176 | -101.4 | 0 | 0 | 0 | 109.5 | K265 N374 | K265-H376 PolarHBondContact N-CD2 3.33Å; K265-H376 PolarHBondContact O-CD2 3.47Å; N374-H376 VanDerWaalsContact C-N 3.3Å; N374-H376 PolarHBondContact O-N 3.34Å | ||
| 377 | V | 46.2 | Very low | 40.5 | Very low | 19 Ų | 19 | 88.1 Ų | 88.1 | 12% | 0.115 | 44% | 0.436 | C | S | . | . | trans | -81.7 | 131.1 | 168.8 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | M267 Y379 | M267-V377 HydrophobicContact CE-CG2 3.3Å; M267-V377 HydrophobicContact CG-CG2 4.27Å; M267-V377 HydrophobicContact SD-CG2 3.7Å; V377-Y379 HydrophobicContact CB-CD2 3.32Å; V377-Y379 HydrophobicContact CB-CE2 3.26Å; V377-Y379 HydrophobicContact CB-CG 4.26Å; V377-Y379 HydrophobicContact CG1-CD1 4.31Å; V377-Y379 HydrophobicContact CG1-CD2 3.35Å; V377-Y379 HydrophobicContact CG1-CE1 4.18Å; V377-Y379 HydrophobicContact CG1-CE2 3.19Å; V377-Y379 HydrophobicContact CG1-CG 3.89Å; V377-Y379 HydrophobicContact CG2-CD2 4.15Å; V377-Y379 HydrophobicContact CG2-CE2 3.61Å; V377-Y379 PolarHBondContact O-N 2.86Å | ||
| 378 | S | 40.3 | Very low | 39.9 | Very low | 57 Ų | 57 | 88.3 Ų | 88.3 | 40% | 0.399 | 44% | 0.441 | S | S | . | . | trans | -63.8 | 63.5 | 170 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | G237 W380 | G237-S378 PolarHBondContact O-OG 2.67Å; S378-W380 PolarHBondContact O-N 3.16Å | ||
| 379 | Y | 31.9 | Very low | 39.3 | Very low | 168 Ų | 168 | 88.8 Ų | 88.8 | 66% | 0.659 | 45% | 0.449 | S | S | * | . | trans | -79.1 | 120.1 | 172.4 | -76.8 | -72.1 | 0 | 0 | 0 | 109.3 | V377 | V377-Y379 HydrophobicContact CB-CD2 3.32Å; V377-Y379 HydrophobicContact CB-CE2 3.26Å; V377-Y379 HydrophobicContact CB-CG 4.26Å; V377-Y379 HydrophobicContact CG1-CD1 4.31Å; V377-Y379 HydrophobicContact CG1-CD2 3.35Å; V377-Y379 HydrophobicContact CG1-CE1 4.18Å; V377-Y379 HydrophobicContact CG1-CE2 3.19Å; V377-Y379 HydrophobicContact CG1-CG 3.89Å; V377-Y379 HydrophobicContact CG2-CD2 4.15Å; V377-Y379 HydrophobicContact CG2-CE2 3.61Å; V377-Y379 PolarHBondContact O-N 2.86Å | ||
| 380 | W | 29.2 | Very low | 38.4 | Very low | 203 Ų | 203 | 92.9 Ų | 92.9 | 77% | 0.769 | 47% | 0.468 | S | S | * | . | trans | 49.8 | 111.7 | 140.7 | -69.2 | 73.4 | 0 | 0 | 0 | 119.2 | S378 S382 | S378-W380 PolarHBondContact O-N 3.16Å; W380-S382 PolarHBondContact O-N 3.4Å; W380-S382 VanDerWaalsContact O-N 3.16Å | ||
| 381 | S | 24.2 | Very low | 37.6 | Very low | 118 Ų | 118 | 96.1 Ų | 96.1 | 83% | 0.825 | 49% | 0.487 | S | S | * | . | trans | -57.3 | 101.2 | 141.7 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 382 | S | 21.1 | Very low | 36.4 | Very low | 86 Ų | 86 | 102 Ų | 102 | 60% | 0.601 | 52% | 0.516 | S | S | * | . | trans | -167.7 | 76.5 | 154.3 | 59.6 | 0 | 0 | 0 | 0 | 109.9 | W380 | W380-S382 PolarHBondContact O-N 3.4Å; W380-S382 VanDerWaalsContact O-N 3.16Å | ||
| 383 | L | 21 | Very low | 35.3 | Very low | 134 Ų | 134 | 107.3 Ų | 107.3 | 70% | 0.702 | 54% | 0.542 | S | S | * | . | trans | -137 | 76.1 | 161.1 | -85 | 166.8 | 0 | 0 | 0 | 107.7 | Y385 | L383-Y385 HydrophobicContact CD2-CD2 3.48Å; L383-Y385 VanDerWaalsContact CD2-CD2 3.48Å; L383-Y385 HydrophobicContact CD2-CE2 3.12Å | ||
| 384 | T | 18.1 | Very low | 34.1 | Very low | 138 Ų | 138 | 113.7 Ų | 113.7 | 85% | 0.847 | 58% | 0.576 | S | S | * | * | trans | -76 | 105.4 | 151.2 | -47.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 385 | Y | 22.1 | Very low | 32.4 | Very low | 200 Ų | 200 | 119.1 Ų | 119.1 | 78% | 0.784 | 60% | 0.602 | S | S | * | * | trans | -113.9 | 118.9 | 153.6 | -81 | -69.1 | 0 | 0 | 0 | 106.3 | L383 | L383-Y385 HydrophobicContact CD2-CD2 3.48Å; L383-Y385 VanDerWaalsContact CD2-CD2 3.48Å; L383-Y385 HydrophobicContact CD2-CE2 3.12Å | ||
| 386 | I | 26.9 | Very low | 30.4 | Very low | 236 Ų | 236 | 129.1 Ų | 129.1 | 100% | 1.21 | 65% | 0.654 | S | S | * | * | trans | -2.8 | 0 | 169.1 | -56 | 173.2 | 0 | 0 | 0 | 115.7 |
Retrieved 386 of 386 residues in 689.1 ms
(Link to these results)