| 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 | 32.7 | Very low | 65.3 | Low | 240 Ų | 240 | 82.4 Ų | 82.4 | 100% | 1.182 | 47% | 0.473 | S | S | * | . | 0 | 112 | 0 | -64 | 176.7 | -171.5 | 0 | 0 | 107 | N3 | M1-N3 PolarHBondContact O-N 3.17Š| |||
| 2 | A | 38.8 | Very low | 65.6 | Low | 103 Ų | 103 | 80.2 Ų | 80.2 | 85% | 0.851 | 47% | 0.466 | S | S | * | . | trans | -63.3 | 119.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | A4 | A2-A4 PolarHBondContact O-N 3.48Š| ||
| 3 | N | 44.9 | Very low | 65.7 | Low | 163 Ų | 163 | 77.1 Ų | 77.1 | 87% | 0.872 | 45% | 0.452 | S | S | * | . | trans | -52.9 | 111.7 | 172.3 | -95.5 | -13.3 | 0 | 0 | 0 | 106.7 | M1 Q5 | M1-N3 PolarHBondContact O-N 3.17Å; N3-Q5 PolarHBondContact O-N 3.11Å | ||
| 4 | A | 56.7 | Low | 65.6 | Low | 75 Ų | 75 | 75.1 Ų | 75.1 | 62% | 0.62 | 44% | 0.443 | S | S | * | . | trans | -54.6 | 115.9 | 170 | 0 | 0 | 0 | 0 | 0 | 105.8 | A2 V6 | A2-A4 PolarHBondContact O-N 3.48Å; A4-V6 PolarHBondContact O-N 2.99Å | ||
| 5 | Q | 71.2 | Confident | 65.3 | Low | 135 Ų | 135 | 80.5 Ų | 80.5 | 63% | 0.631 | 47% | 0.468 | S | S | * | . | trans | -61.8 | 117.1 | -178 | -165.3 | 175.1 | 4 | 0 | 0 | 106.3 | N3 A213 L247 | N3-Q5 PolarHBondContact O-N 3.11Å; Q5-A213 HydrophobicContact CB-CB 3.94Å; Q5-A213 WeakPolarHBondContact O-CB 3.38Å; Q5-A213 PolarHBondContact O-N 3.15Å; Q5-L247 VanDerWaalsContact CD-CD1 3.49Å; Q5-L247 HydrophobicContact CG-CD1 3.74Å | ||
| 6 | V | 79.3 | Confident | 65.2 | Low | 71 Ų | 71 | 82 Ų | 82 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 148.4 | 177.2 | -72.8 | 0 | 0 | 0 | 0 | 108.5 | A4 K210 Y211 | A4-V6 PolarHBondContact O-N 2.99Å; V6-K210 HydrophobicContact CB-CB 3.91Å; V6-K210 HydrophobicContact CB-CD 4.09Å; V6-K210 HydrophobicContact CG1-CB 4.42Å; V6-K210 HydrophobicContact CG2-CB 4.43Å; V6-K210 HydrophobicContact CG2-CD 3.66Å; V6-Y211 CarbonylContact C-O 3.48Å; V6-Y211 VanDerWaalsContact CA-O 3.26Å; V6-Y211 WeakPolarHBondContact CA-O 2.99Å |
| 7 | S | 81.9 | Confident | 65.4 | Low | 3 Ų | 3 | 77.6 Ų | 77.6 | 2% | 0.021 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 155.2 | -176.3 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | D11 Y211 L247 | S7-D11 WeakPolarHBondContact CA-OD2 3.28Å; S7-Y211 PolarHBondContact N-O 3Å; S7-Y211 PolarHBondContact O-N 2.98Å; S7-L247 PolarHBondContact OG-N 3.22Å |
| 8 | C | 84 | Confident | 65.6 | Low | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.014 | 42% | 0.424 | C | S | . | . | trans | -112.2 | 157.1 | 169.8 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | K10 D11 S21 C26 | C8-K10 HydrophobicContact CB-CG 3.99Å; C8-K10 PolarHBondContact O-N 3.07Å; C8-K10 VanDerWaalsContact O-N 3.12Å; C8-D11 PolarHBondContact N-OD2 2.95Å; C8-D11 VanDerWaalsContact O-CB 3.31Å; C8-D11 WeakPolarHBondContact O-CB 3.18Å; C8-D11 PolarHBondContact O-N 2.92Å; C8-S21 WeakPolarHBondContact SG-CB 3.23Å; C8-C26 WeakPolarHBondContact CA-SG 3.12Å; C8-C26 HydrophobicContact CB-CB 3.79Å; C8-C26 WeakPolarHBondContact CB-SG 3.21Å; C8-C26 WeakPolarHBondContact SG-CB 3.36Å; C8-C26 CovalentContact SG-SG 2.02Å; C8-C26 PolarHBondContact SG-SG 3.14Å | ||
| 9 | P | 79.6 | Confident | 66.4 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.4 | -33.1 | 175.3 | -24.8 | 31.3 | 0 | 0 | 0 | 113.2 | D11 S12 S13 F17 F54 H208 Y211 Y245 | P9-D11 PolarHBondContact O-N 2.89Å; P9-D11 VanDerWaalsContact O-N 3.15Å; P9-S12 PolarHBondContact O-N 3.22Å; P9-S12 PolarHBondContact O-OG 2.79Å; P9-S13 CarbonylContact O-C 3.55Å; P9-S13 PolarHBondContact O-N 3.08Å; P9-F17 HydrophobicContact CB-CB 3.78Å; P9-F17 HydrophobicContact CB-CD2 4.49Å; P9-F17 HydrophobicContact CB-CG 4.41Å; P9-F54 HydrophobicContact CG-CD1 4.22Å; P9-F54 HydrophobicContact CG-CE1 3.89Å; P9-H208 WeakPolarHBondContact CD-CE1 3.4Å; P9-Y211 HydrophobicContact CG-CE2 3.91Å; P9-Y245 HydrophobicContact CB-CD1 4.37Å; P9-Y245 HydrophobicContact CB-CG 4.1Å; P9-Y245 HydrophobicContact CG-CD2 4.04Å; P9-Y245 HydrophobicContact CG-CG 3.87Å |
| 10 | K | 75.6 | Confident | 67.2 | Low | 24 Ų | 24 | 67.1 Ų | 67.1 | 10% | 0.104 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -56.8 | -28 | 175 | 79 | 174.8 | -166.1 | 164.1 | 0 | 113.4 | C8 P14 F17 S21 D74 | C8-K10 HydrophobicContact CB-CG 3.99Å; C8-K10 PolarHBondContact O-N 3.07Å; C8-K10 VanDerWaalsContact O-N 3.12Å; K10-P14 WeakPolarHBondContact O-CB 2.97Å; K10-F17 WeakPolarHBondContact CA-O 3.35Å; K10-F17 PolarHBondContact N-O 2.78Å; K10-S21 VanDerWaalsContact CE-OG 3.28Å; K10-S21 WeakPolarHBondContact CE-OG 3.11Å; K10-S21 PolarHBondContact NZ-OG 3.38Å; K10-S21 VanDerWaalsContact NZ-OG 3.12Å; K10-D74 IonicContact NZ-OD2 2.92Å; K10-D74 PolarHBondContact NZ-OD2 3.22Å; K10-D74 VanDerWaalsContact NZ-OD2 3.16Å |
| 11 | D | 73.2 | Confident | 68 | Low | 90 Ų | 90 | 65.2 Ų | 65.2 | 48% | 0.481 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -79.7 | -25.1 | -175.9 | -54 | -36.2 | 0 | 0 | 0 | 111.8 | S7 C8 P9 | S7-D11 WeakPolarHBondContact CA-OD2 3.28Å; C8-D11 PolarHBondContact N-OD2 2.95Å; C8-D11 VanDerWaalsContact O-CB 3.31Å; C8-D11 WeakPolarHBondContact O-CB 3.18Å; C8-D11 PolarHBondContact O-N 2.92Å; P9-D11 PolarHBondContact O-N 2.89Å; P9-D11 VanDerWaalsContact O-N 3.15Å |
| 12 | S | 69 | Low | 70.1 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -109 | -34.6 | -177.2 | 52.1 | 0 | 0 | 0 | 0 | 113.3 | P9 Y245 | P9-S12 PolarHBondContact O-N 3.22Å; P9-S12 PolarHBondContact O-OG 2.79Å; S12-Y245 PolarHBondContact OG-O 2.8Å |
| 13 | S | 67.9 | Low | 71.7 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | trans | -136.2 | 59.5 | -176.1 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | P9 L15 E16 F17 | P9-S13 CarbonylContact O-C 3.55Å; P9-S13 PolarHBondContact O-N 3.08Å; S13-L15 PolarHBondContact O-N 3.26Å; S13-L15 VanDerWaalsContact O-N 3.09Å; S13-E16 PolarHBondContact O-N 3.37Å; S13-F17 PolarHBondContact O-N 3.15Å | ||
| 14 | P | 63.2 | Low | 73.2 | Confident | 50 Ų | 50 | 59.9 Ų | 59.9 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26.7 | -172.2 | 21.5 | -33.4 | 0 | 0 | 0 | 114.7 | K10 G18 V76 | K10-P14 WeakPolarHBondContact O-CB 2.97Å; P14-G18 WeakPolarHBondContact O-CA 3.33Å; P14-G18 PolarHBondContact O-N 2.81Å; P14-V76 HydrophobicContact CB-CG1 4.38Å; P14-V76 HydrophobicContact CB-CG2 4.03Å |
| 15 | L | 61 | Low | 74.6 | Confident | 155 Ų | 155 | 59.2 Ų | 59.2 | 81% | 0.812 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -28.2 | 178.7 | -65.3 | 174.1 | 0 | 0 | 0 | 112.9 | S13 | S13-L15 PolarHBondContact O-N 3.26Å; S13-L15 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 64.4 | Low | 75.6 | Confident | 105 Ų | 105 | 52.8 Ų | 52.8 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -36.6 | -177.2 | -78.1 | -160.4 | -151 | 0 | 0 | 113.3 | S13 K34 | S13-E16 PolarHBondContact O-N 3.37Å; E16-K34 PolarHBondContact O-NZ 2.82Å; E16-K34 IonicContact OE2-NZ 3.26Å; E16-K34 PolarHBondContact OE2-NZ 2.85Å |
| 17 | F | 68.4 | Low | 76.1 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -140.9 | 72.4 | 179 | -61.3 | -67.9 | 0 | 0 | 0 | 107.6 | P9 K10 S13 V30 K34 F54 Y245 | P9-F17 HydrophobicContact CB-CB 3.78Å; P9-F17 HydrophobicContact CB-CD2 4.49Å; P9-F17 HydrophobicContact CB-CG 4.41Å; K10-F17 WeakPolarHBondContact CA-O 3.35Å; K10-F17 PolarHBondContact N-O 2.78Å; S13-F17 PolarHBondContact O-N 3.15Å; F17-V30 HydrophobicContact CD1-CG2 3.98Å; F17-V30 HydrophobicContact CE1-CG1 4.19Å; F17-V30 HydrophobicContact CE1-CG2 4.08Å; F17-K34 HydrophobicContact CE1-CD 4.25Å; F17-K34 HydrophobicContact CZ-CD 4.28Å; F17-F54 HydrophobicContact CD1-CE1 4.44Å; F17-F54 AromaticContact CD1-CZ 3.79Å; F17-F54 HydrophobicContact CD1-CZ 3.79Å; F17-F54 AromaticContact CE1-CZ 3.85Å; F17-F54 HydrophobicContact CE1-CZ 3.85Å; F17-F54 HydrophobicContact CG-CZ 4.39Å; F17-F54 HydrophobicContact CZ-CZ 4.5Å; F17-Y245 HydrophobicContact CD2-CD1 4.34Å; F17-Y245 AromaticContact CD2-CE1 3.81Å; F17-Y245 HydrophobicContact CD2-CE1 3.81Å; F17-Y245 HydrophobicContact CE2-CD1 4.35Å; F17-Y245 AromaticContact CE2-CE1 3.41Å; F17-Y245 HydrophobicContact CE2-CE1 3.41Å; F17-Y245 VanDerWaalsContact CE2-CE1 3.41Å; F17-Y245 AromaticContact CE2-CZ 3.62Å; F17-Y245 WeakPolarHBondContact CE2-OH 3.29Å; F17-Y245 HydrophobicContact CZ-CE1 4.26Å; F17-Y245 WeakPolarHBondContact CZ-OH 3.12Å |
| 18 | G | 69.7 | Low | 76.6 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -174.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P14 S28 F29 | P14-G18 WeakPolarHBondContact O-CA 3.33Å; P14-G18 PolarHBondContact O-N 2.81Å; G18-S28 CarbonylContact O-C 3.5Å; G18-S28 WeakPolarHBondContact O-CA 3.37Å; G18-F29 PolarHBondContact O-N 3.41Å |
| 19 | G | 80.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 131 | -144.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V27 | G19-V27 WeakPolarHBondContact CA-O 3.45Å |
| 20 | Y | 83.1 | Confident | 77.5 | Confident | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 174.6 | -176.2 | 66.3 | -88.2 | 0 | 0 | 0 | 112.1 | V27 F29 W62 I70 P71 | Y20-V27 HydrophobicContact CD1-CB 4.1Å; Y20-V27 HydrophobicContact CD1-CG1 4.34Å; Y20-V27 HydrophobicContact CD2-CB 4.46Å; Y20-V27 HydrophobicContact CD2-CG2 4.45Å; Y20-V27 HydrophobicContact CE1-CB 3.86Å; Y20-V27 HydrophobicContact CE1-CG1 3.85Å; Y20-V27 HydrophobicContact CE1-CG2 4.17Å; Y20-V27 HydrophobicContact CE2-CB 4.25Å; Y20-V27 HydrophobicContact CE2-CG2 3.88Å; Y20-V27 HydrophobicContact CG-CB 4.39Å; Y20-V27 PolarHBondContact N-O 3.07Å; Y20-V27 PolarHBondContact O-N 3.42Å; Y20-V27 VanDerWaalsContact O-O 3.1Å; Y20-F29 HydrophobicContact CD1-CE1 4.35Å; Y20-F29 AromaticContact CD1-CZ 3.96Å; Y20-F29 HydrophobicContact CD1-CZ 3.96Å; Y20-F29 HydrophobicContact CE1-CE1 4.22Å; Y20-F29 HydrophobicContact CE1-CZ 4.05Å; Y20-W62 HydrophobicContact CE1-CZ2 4.2Å; Y20-W62 PolarHBondContact OH-NE1 2.76Å; Y20-I70 HydrophobicContact CD1-CG2 4.25Å; Y20-I70 HydrophobicContact CE1-CG2 4.02Å; Y20-P71 HydrophobicContact CD2-CG 3.65Å; Y20-P71 HydrophobicContact CG-CG 3.82Å |
| 21 | S | 82.9 | Confident | 78.2 | Confident | 28 Ų | 28 | 50 Ų | 50 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 140 | 179 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | C8 K10 K25 | C8-S21 WeakPolarHBondContact SG-CB 3.23Å; K10-S21 VanDerWaalsContact CE-OG 3.28Å; K10-S21 WeakPolarHBondContact CE-OG 3.11Å; K10-S21 PolarHBondContact NZ-OG 3.38Å; K10-S21 VanDerWaalsContact NZ-OG 3.12Å; S21-K25 WeakPolarHBondContact CA-O 3.41Å |
| 22 | D | 77 | Confident | 78.9 | Confident | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 25% | 0.248 | S | C | . | . | trans | -101.8 | -162.7 | 167.6 | 69.8 | 25.2 | 0 | 0 | 0 | 110.1 | Y24 K25 K210 | D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 2.77Å; D22-Y24 PolarHBondContact OD1-N 3.35Å; D22-K25 PolarHBondContact N-O 2.03Å; D22-K25 WeakPolarHBondContact OD1-CG 3.47Å; D22-K25 PolarHBondContact OD1-N 3.23Å; D22-K25 WeakPolarHBondContact OD2-CD 3.03Å; D22-K25 WeakPolarHBondContact OD2-CE 2.98Å; D22-K25 WeakPolarHBondContact OD2-CG 3.45Å; D22-K210 WeakPolarHBondContact O-CE 2.99Å; D22-K210 PolarHBondContact O-NZ 2.03Å | ||
| 23 | K | 72.4 | Confident | 79.8 | Confident | 158 Ų | 158 | 50.1 Ų | 50.1 | 69% | 0.687 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -60.2 | -34.7 | 178.9 | -170.3 | 173 | 177.1 | -171.7 | 0 | 113 | K210 | K23-K210 PolarHBondContact O-NZ 3.12Š|
| 24 | Y | 76.9 | Confident | 80.5 | Confident | 173 Ų | 173 | 51.7 Ų | 51.7 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -117.7 | -28.1 | -167.3 | -58.4 | -71.9 | 0 | 0 | 0 | 114.8 | D22 | D22-Y24 VanDerWaalsContact C-N 3.28Å; D22-Y24 PolarHBondContact O-N 2.77Å; D22-Y24 PolarHBondContact OD1-N 3.35Å |
| 25 | K | 86.6 | Confident | 81 | Confident | 61 Ų | 61 | 50.6 Ų | 50.6 | 27% | 0.265 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.2 | -172.1 | 52.5 | 173.1 | 179.6 | -178 | 0 | 112.7 | S21 D22 Q207 | S21-K25 WeakPolarHBondContact CA-O 3.41Å; D22-K25 PolarHBondContact N-O 2.03Å; D22-K25 WeakPolarHBondContact OD1-CG 3.47Å; D22-K25 PolarHBondContact OD1-N 3.23Å; D22-K25 WeakPolarHBondContact OD2-CD 3.03Å; D22-K25 WeakPolarHBondContact OD2-CE 2.98Å; D22-K25 WeakPolarHBondContact OD2-CG 3.45Å; K25-Q207 HydrophobicContact CB-CG 4.35Å; K25-Q207 HydrophobicContact CD-CG 3.71Å |
| 26 | C | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 146.6 | 168.4 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | C8 Q207 H208 | C8-C26 WeakPolarHBondContact CA-SG 3.12Å; C8-C26 HydrophobicContact CB-CB 3.79Å; C8-C26 WeakPolarHBondContact CB-SG 3.21Å; C8-C26 WeakPolarHBondContact SG-CB 3.36Å; C8-C26 CovalentContact SG-SG 2.02Å; C8-C26 PolarHBondContact SG-SG 3.14Å; C26-Q207 CarbonylContact O-C 3.55Å; C26-Q207 WeakPolarHBondContact O-CA 3.4Å; C26-H208 WeakPolarHBondContact CB-CE1 3.1Å; C26-H208 WeakPolarHBondContact CB-NE2 3.45Å; C26-H208 PolarHBondContact N-O 3.44Å; C26-H208 PolarHBondContact O-N 3.37Å |
| 27 | V | 91.6 | Very high | 82.3 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116 | 167 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | G19 Y20 F29 M60 W62 A205 C206 | G19-V27 WeakPolarHBondContact CA-O 3.45Å; Y20-V27 HydrophobicContact CD1-CB 4.1Å; Y20-V27 HydrophobicContact CD1-CG1 4.34Å; Y20-V27 HydrophobicContact CD2-CB 4.46Å; Y20-V27 HydrophobicContact CD2-CG2 4.45Å; Y20-V27 HydrophobicContact CE1-CB 3.86Å; Y20-V27 HydrophobicContact CE1-CG1 3.85Å; Y20-V27 HydrophobicContact CE1-CG2 4.17Å; Y20-V27 HydrophobicContact CE2-CB 4.25Å; Y20-V27 HydrophobicContact CE2-CG2 3.88Å; Y20-V27 HydrophobicContact CG-CB 4.39Å; Y20-V27 PolarHBondContact N-O 3.07Å; Y20-V27 PolarHBondContact O-N 3.42Å; Y20-V27 VanDerWaalsContact O-O 3.1Å; V27-F29 HydrophobicContact CG1-CD1 4.18Å; V27-F29 HydrophobicContact CG1-CE1 3.74Å; V27-M60 HydrophobicContact CG1-CG 4.32Å; V27-W62 HydrophobicContact CG1-CH2 4.49Å; V27-W62 HydrophobicContact CG1-CZ2 4.16Å; V27-A205 HydrophobicContact CG1-CB 4Å; V27-C206 WeakPolarHBondContact CA-O 3.31Å |
| 28 | S | 91.5 | Very high | 82.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 121.4 | -178.5 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | G18 A205 C206 H208 | G18-S28 CarbonylContact O-C 3.5Å; G18-S28 WeakPolarHBondContact O-CA 3.37Å; S28-A205 CarbonylContact O-C 3.52Å; S28-A205 WeakPolarHBondContact O-CA 3.09Å; S28-C206 PolarHBondContact N-O 2.94Å; S28-C206 PolarHBondContact O-N 3.47Å; S28-H208 PolarHBondContact OG-NE2 2.71Å |
| 29 | F | 91.3 | Very high | 83.2 | Confident | 3 Ų | 3 | 55.1 Ų | 55.1 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 115.6 | 174.1 | -60.7 | -16.3 | 0 | 0 | 0 | 109.4 | G18 Y20 V27 W62 V75 I86 L180 Y203 F204 A205 | G18-F29 PolarHBondContact O-N 3.41Å; Y20-F29 HydrophobicContact CD1-CE1 4.35Å; Y20-F29 AromaticContact CD1-CZ 3.96Å; Y20-F29 HydrophobicContact CD1-CZ 3.96Å; Y20-F29 HydrophobicContact CE1-CE1 4.22Å; Y20-F29 HydrophobicContact CE1-CZ 4.05Å; V27-F29 HydrophobicContact CG1-CD1 4.18Å; V27-F29 HydrophobicContact CG1-CE1 3.74Å; F29-W62 HydrophobicContact CE1-CH2 4.29Å; F29-W62 HydrophobicContact CE1-CZ2 4.43Å; F29-V75 HydrophobicContact CE2-CG1 3.94Å; F29-I86 HydrophobicContact CD1-CD1 4.01Å; F29-I86 HydrophobicContact CD2-CD1 3.8Å; F29-I86 HydrophobicContact CE1-CD1 3.68Å; F29-I86 HydrophobicContact CE2-CD1 3.45Å; F29-I86 VanDerWaalsContact CE2-CD1 3.45Å; F29-I86 HydrophobicContact CG-CD1 4.08Å; F29-I86 HydrophobicContact CZ-CD1 3.4Å; F29-L180 HydrophobicContact CE2-CD1 3.62Å; F29-L180 HydrophobicContact CZ-CD1 3.71Å; F29-Y203 HydrophobicContact CB-CD1 4.23Å; F29-F204 CarbonylContact C-O 3.52Å; F29-F204 WeakPolarHBondContact CA-O 3.39Å; F29-A205 HydrophobicContact CD1-CB 3.72Å; F29-A205 HydrophobicContact CE1-CB 3.99Å |
| 30 | V | 91 | Very high | 82.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 123.7 | -177.2 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | F17 K34 F49 F54 Y203 F204 | F17-V30 HydrophobicContact CD1-CG2 3.98Å; F17-V30 HydrophobicContact CE1-CG1 4.19Å; F17-V30 HydrophobicContact CE1-CG2 4.08Å; V30-K34 HydrophobicContact CG1-CB 3.95Å; V30-K34 HydrophobicContact CG1-CD 4.45Å; V30-F49 HydrophobicContact CB-CE1 4.45Å; V30-F49 HydrophobicContact CG1-CE1 3.83Å; V30-F49 HydrophobicContact CG1-CZ 3.9Å; V30-F49 HydrophobicContact CG2-CE1 3.98Å; V30-F54 HydrophobicContact CG2-CE2 4.14Å; V30-F54 HydrophobicContact CG2-CZ 4.23Å; V30-Y203 VanDerWaalsContact O-CA 3.27Å; V30-Y203 WeakPolarHBondContact O-CA 3.47Å; V30-F204 HydrophobicContact CB-CD1 3.92Å; V30-F204 HydrophobicContact CB-CD2 4.34Å; V30-F204 HydrophobicContact CB-CE1 3.41Å; V30-F204 VanDerWaalsContact CB-CE1 3.41Å; V30-F204 HydrophobicContact CB-CE2 3.91Å; V30-F204 HydrophobicContact CB-CG 4.37Å; V30-F204 HydrophobicContact CB-CZ 3.44Å; V30-F204 VanDerWaalsContact CB-CZ 3.44Å; V30-F204 HydrophobicContact CG1-CD1 4.32Å; V30-F204 HydrophobicContact CG1-CE1 3.38Å; V30-F204 HydrophobicContact CG1-CE2 4.34Å; V30-F204 HydrophobicContact CG1-CZ 3.42Å; V30-F204 VanDerWaalsContact CG1-CZ 3.42Å; V30-F204 HydrophobicContact CG2-CE1 4.36Å; V30-F204 HydrophobicContact CG2-CE2 3.99Å; V30-F204 HydrophobicContact CG2-CZ 3.89Å; V30-F204 PolarHBondContact N-O 3.49Å; V30-F204 WeakPolarHBondContact O-CD1 3.49Å; V30-F204 PolarHBondContact O-N 2.94Å |
| 31 | P | 90.4 | Very high | 83 | Confident | 34 Ų | 34 | 69 Ų | 69 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 142.1 | 176.9 | -19.3 | 27.4 | 0 | 0 | 0 | 111.4 | G33 K34 Y203 | P31-G33 PolarHBondContact O-N 3.41Å; P31-G33 VanDerWaalsContact O-N 3.07Å; P31-K34 PolarHBondContact O-N 2.82Å; P31-Y203 HydrophobicContact CB-CD1 4.24Å; P31-Y203 HydrophobicContact CB-CE1 4.04Å; P31-Y203 HydrophobicContact CG-CD1 4.22Å; P31-Y203 HydrophobicContact CG-CE1 3.86Å |
| 32 | K | 88.8 | Confident | 83.4 | Confident | 69 Ų | 69 | 67.9 Ų | 67.9 | 30% | 0.3 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -52.1 | -33.6 | 175.8 | -179.3 | -179.5 | 170.8 | 177.2 | 0 | 113.1 | K34 I35 E199 F201 D202 | K32-K34 VanDerWaalsContact C-N 3.25Å; K32-K34 PolarHBondContact O-N 2.92Å; K32-I35 HydrophobicContact CB-CD1 4.24Å; K32-I35 HydrophobicContact CG-CD1 3.86Å; K32-I35 VanDerWaalsContact O-CB 3.32Å; K32-I35 WeakPolarHBondContact O-CB 3.28Å; K32-I35 WeakPolarHBondContact O-CD1 3.39Å; K32-I35 WeakPolarHBondContact O-CG1 3.18Å; K32-I35 PolarHBondContact O-N 2.79Å; K32-E199 HydrophobicContact CD-CB 4.4Å; K32-E199 WeakPolarHBondContact CE-OE2 3.35Å; K32-E199 PolarHBondContact NZ-O 3.46Å; K32-E199 IonicContact NZ-OE2 2.99Å; K32-E199 PolarHBondContact NZ-OE2 3.42Å; K32-E199 VanDerWaalsContact NZ-OE2 3.12Å; K32-F201 HydrophobicContact CB-CD2 4.36Å; K32-F201 HydrophobicContact CB-CE2 4.12Å; K32-F201 HydrophobicContact CD-CD2 4.48Å; K32-F201 HydrophobicContact CD-CE2 4.29Å; K32-F201 VanDerWaalsContact CD-O 3.28Å; K32-F201 WeakPolarHBondContact CD-O 3.36Å; K32-F201 HydrophobicContact CG-CD2 4.48Å; K32-F201 HydrophobicContact CG-CE2 3.98Å; K32-D202 WeakPolarHBondContact CB-O 3.45Å; K32-D202 PolarHBondContact N-O 3.5Å |
| 33 | G | 86.1 | Confident | 84.1 | Confident | 79 Ų | 79 | 65.1 Ų | 65.1 | 81% | 0.814 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -66.9 | -16.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | P31 I35 | P31-G33 PolarHBondContact O-N 3.41Å; P31-G33 VanDerWaalsContact O-N 3.07Å; G33-I35 VanDerWaalsContact C-N 3.33Å |
| 34 | K | 83.4 | Confident | 85.1 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -86.3 | -4 | 175.7 | -71.7 | -166.3 | 173.2 | -176.4 | 0 | 113.1 | E16 F17 V30 P31 K32 | E16-K34 PolarHBondContact O-NZ 2.82Å; E16-K34 IonicContact OE2-NZ 3.26Å; E16-K34 PolarHBondContact OE2-NZ 2.85Å; F17-K34 HydrophobicContact CE1-CD 4.25Å; F17-K34 HydrophobicContact CZ-CD 4.28Å; V30-K34 HydrophobicContact CG1-CB 3.95Å; V30-K34 HydrophobicContact CG1-CD 4.45Å; P31-K34 PolarHBondContact O-N 2.82Å; K32-K34 VanDerWaalsContact C-N 3.25Å; K32-K34 PolarHBondContact O-N 2.92Å |
| 35 | I | 74.5 | Confident | 85.8 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 14% | 0.138 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -71.1 | 133.4 | -179.3 | -58.4 | 171.1 | 0 | 0 | 0 | 109.4 | K32 G33 C38 L46 F201 F204 | K32-I35 HydrophobicContact CB-CD1 4.24Å; K32-I35 HydrophobicContact CG-CD1 3.86Å; K32-I35 VanDerWaalsContact O-CB 3.32Å; K32-I35 WeakPolarHBondContact O-CB 3.28Å; K32-I35 WeakPolarHBondContact O-CD1 3.39Å; K32-I35 WeakPolarHBondContact O-CG1 3.18Å; K32-I35 PolarHBondContact O-N 2.79Å; G33-I35 VanDerWaalsContact C-N 3.33Å; I35-C38 WeakPolarHBondContact CG2-SG 3.03Å; I35-L46 HydrophobicContact CB-CD2 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.87Å; I35-L46 HydrophobicContact CG1-CD2 3.85Å; I35-L46 HydrophobicContact CG2-CD2 3.8Å; I35-F201 HydrophobicContact CD1-CE2 3.78Å; I35-F201 HydrophobicContact CD1-CZ 3.94Å; I35-F204 HydrophobicContact CD1-CD1 3.93Å; I35-F204 HydrophobicContact CD1-CE1 3.97Å; I35-F204 HydrophobicContact CG1-CD1 3.89Å; I35-F204 HydrophobicContact CG1-CE1 3.39Å; I35-F204 HydrophobicContact CG1-CZ 4.27Å |
| 36 | P | 72.6 | Confident | 86.2 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | trans | -53.1 | 159.6 | 162 | -21.9 | 32.2 | 0 | 0 | 0 | 111.3 | C38 F49 | P36-C38 VanDerWaalsContact C-N 3.31Å; P36-C38 PolarHBondContact O-N 2.69Å; P36-C38 PolarHBondContact O-SG 3.16Å; P36-F49 HydrophobicContact CG-CD2 4.26Å | ||
| 37 | K | 79.1 | Confident | 86.4 | Confident | 216 Ų | 216 | 54 Ų | 54 | 94% | 0.939 | 29% | 0.292 | S | S | * | . | trans | -64.2 | 93.7 | 171.2 | -72.7 | -174.3 | 179.5 | 179.5 | 0 | 109.7 | ||||
| 38 | C | 81.3 | Confident | 86.5 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 17% | 0.169 | 32% | 0.321 | C | S | . | . | trans | -72.6 | 138.7 | 178.4 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | I35 P36 L42 C45 | I35-C38 WeakPolarHBondContact CG2-SG 3.03Å; P36-C38 VanDerWaalsContact C-N 3.31Å; P36-C38 PolarHBondContact O-N 2.69Å; P36-C38 PolarHBondContact O-SG 3.16Å; C38-L42 HydrophobicContact CB-CD1 3.94Å; C38-C45 VanDerWaalsContact CA-SG 3.51Å; C38-C45 HydrophobicContact CB-CB 3.6Å; C38-C45 WeakPolarHBondContact CB-SG 3.1Å; C38-C45 WeakPolarHBondContact SG-CB 3.36Å; C38-C45 CovalentContact SG-SG 2.04Å; C38-C45 PolarHBondContact SG-SG 2.9Å | ||
| 39 | G | 75.5 | Confident | 86.6 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 65% | 0.649 | 33% | 0.326 | S | S | * | . | trans | -79.6 | -142.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L41 | G39-L41 PolarHBondContact O-N 3.35Š| ||
| 40 | R | 73.1 | Confident | 86.7 | Confident | 231 Ų | 231 | 61.3 Ų | 61.3 | 87% | 0.872 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -64.2 | -26.6 | -177.5 | -169.8 | 176.2 | 179.2 | -179.6 | -1.3 | 113.8 | ||
| 41 | L | 86.5 | Confident | 86.8 | Confident | 74 Ų | 74 | 65 Ų | 65 | 39% | 0.387 | 35% | 0.348 | S | S | . | . | trans | -110.1 | 76.4 | -173.9 | -59.5 | 169.7 | 0 | 0 | 0 | 109.9 | G39 H43 E44 C45 | G39-L41 PolarHBondContact O-N 3.35Å; L41-H43 VanDerWaalsContact C-N 3.26Å; L41-H43 PolarHBondContact O-N 3.45Å; L41-E44 HydrophobicContact CB-CB 4.19Å; L41-E44 HydrophobicContact CB-CG 4.1Å; L41-E44 WeakPolarHBondContact CD1-OE2 3.45Å; L41-E44 PolarHBondContact O-N 3.09Å; L41-C45 PolarHBondContact O-N 2.9Å | ||
| 42 | L | 91.7 | Very high | 86.8 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -52.7 | -44.3 | 179.6 | 176.8 | 67.8 | 0 | 0 | 0 | 112 | C38 C45 L46 L87 C196 E199 F201 | C38-L42 HydrophobicContact CB-CD1 3.94Å; L42-C45 WeakPolarHBondContact O-CB 3.45Å; L42-C45 PolarHBondContact O-N 2.81Å; L42-L46 HydrophobicContact CD1-CD1 3.97Å; L42-L46 HydrophobicContact CD1-CG 4.09Å; L42-L46 HydrophobicContact CD2-CD1 4.43Å; L42-L46 HydrophobicContact CG-CD1 3.89Å; L42-L46 HydrophobicContact CG-CG 4.32Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.21Å; L42-L87 HydrophobicContact CD2-CD2 4.49Å; L42-C196 HydrophobicContact CD2-CB 4.2Å; L42-C196 WeakPolarHBondContact CD2-O 3.37Å; L42-E199 HydrophobicContact CD1-CG 4.46Å; L42-E199 HydrophobicContact CD2-CG 4.18Å; L42-F201 HydrophobicContact CD2-CE1 3.81Å; L42-F201 HydrophobicContact CD2-CZ 4.18Å |
| 43 | H | 91.8 | Very high | 86.8 | Confident | 5 Ų | 5 | 67.5 Ų | 67.5 | 2% | 0.023 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | -174.5 | 56.2 | -87.9 | 0 | 0 | 0 | 113.5 | L41 L46 E47 I91 L93 F120 | L41-H43 VanDerWaalsContact C-N 3.26Å; L41-H43 PolarHBondContact O-N 3.45Å; H43-L46 PolarHBondContact O-N 3.24Å; H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 2.89Å; H43-I91 HydrophobicContact CB-CD1 3.47Å; H43-I91 VanDerWaalsContact CB-CD1 3.47Å; H43-L93 VanDerWaalsContact CE1-CD2 3.43Å; H43-L93 WeakPolarHBondContact CE1-CD2 3.24Å; H43-F120 HydrophobicContact CB-CD1 3.76Å; H43-F120 HydrophobicContact CB-CE1 3.9Å; H43-F120 HydrophobicContact CB-CG 4.32Å; H43-F120 AromaticContact CD2-CD1 3.86Å; H43-F120 AromaticContact CD2-CD2 3.56Å; H43-F120 AromaticContact CD2-CE2 3.89Å; H43-F120 AromaticContact CD2-CG 3.54Å |
| 44 | E | 92 | Very high | 87 | Confident | 103 Ų | 103 | 63.8 Ų | 63.8 | 48% | 0.481 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.4 | -41.6 | 175.2 | -63.4 | 179.7 | 178.8 | 0 | 0 | 111.5 | L41 L46 E47 Q48 | L41-E44 HydrophobicContact CB-CB 4.19Å; L41-E44 HydrophobicContact CB-CG 4.1Å; L41-E44 WeakPolarHBondContact CD1-OE2 3.45Å; L41-E44 PolarHBondContact O-N 3.09Å; E44-L46 PolarHBondContact O-N 2.83Å; E44-E47 PolarHBondContact O-N 3.3Å; E44-Q48 WeakPolarHBondContact O-CB 3.27Å; E44-Q48 PolarHBondContact O-N 2.99Å |
| 45 | C | 93.2 | Very high | 87.2 | Confident | 26 Ų | 26 | 63.9 Ų | 63.9 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | C38 L41 L42 Q48 F49 | C38-C45 VanDerWaalsContact CA-SG 3.51Å; C38-C45 HydrophobicContact CB-CB 3.6Å; C38-C45 WeakPolarHBondContact CB-SG 3.1Å; C38-C45 WeakPolarHBondContact SG-CB 3.36Å; C38-C45 CovalentContact SG-SG 2.04Å; C38-C45 PolarHBondContact SG-SG 2.9Å; L41-C45 PolarHBondContact O-N 2.9Å; L42-C45 WeakPolarHBondContact O-CB 3.45Å; L42-C45 PolarHBondContact O-N 2.81Å; C45-Q48 PolarHBondContact O-N 3.46Å; C45-F49 PolarHBondContact O-N 2.86Å |
| 46 | L | 94.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.7 | -37.9 | 177.8 | -67 | 179.8 | 0 | 0 | 0 | 112.8 | I35 L42 H43 E44 Q48 F49 C50 L59 L87 F201 F204 | I35-L46 HydrophobicContact CB-CD2 4.49Å; I35-L46 HydrophobicContact CD1-CD2 3.87Å; I35-L46 HydrophobicContact CG1-CD2 3.85Å; I35-L46 HydrophobicContact CG2-CD2 3.8Å; L42-L46 HydrophobicContact CD1-CD1 3.97Å; L42-L46 HydrophobicContact CD1-CG 4.09Å; L42-L46 HydrophobicContact CD2-CD1 4.43Å; L42-L46 HydrophobicContact CG-CD1 3.89Å; L42-L46 HydrophobicContact CG-CG 4.32Å; L42-L46 VanDerWaalsContact O-CG 3.28Å; L42-L46 WeakPolarHBondContact O-CG 3.44Å; L42-L46 PolarHBondContact O-N 3.21Å; H43-L46 PolarHBondContact O-N 3.24Å; E44-L46 PolarHBondContact O-N 2.83Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; L46-F49 WeakPolarHBondContact O-CB 3.34Å; L46-F49 PolarHBondContact O-N 3.43Å; L46-C50 PolarHBondContact O-N 2.76Å; L46-C50 PolarHBondContact O-SG 3.41Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; L46-L59 HydrophobicContact CB-CD1 3.72Å; L46-L59 HydrophobicContact CB-CD2 3.94Å; L46-L59 HydrophobicContact CB-CG 4.46Å; L46-L87 HydrophobicContact CD1-CD2 3.35Å; L46-F201 HydrophobicContact CD1-CZ 4.49Å; L46-F204 HydrophobicContact CB-CD2 4.47Å; L46-F204 HydrophobicContact CD1-CB 4.28Å; L46-F204 HydrophobicContact CD1-CG 4.29Å; L46-F204 HydrophobicContact CD2-CD1 3.91Å; L46-F204 HydrophobicContact CD2-CD2 4.05Å; L46-F204 HydrophobicContact CD2-CE1 3.83Å; L46-F204 HydrophobicContact CD2-CE2 3.94Å; L46-F204 HydrophobicContact CD2-CG 4.01Å; L46-F204 HydrophobicContact CD2-CZ 3.81Å |
| 47 | E | 94.5 | Very high | 88.9 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 13% | 0.131 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 172.6 | -177 | 66.1 | -160.6 | 0 | 0 | 111.1 | H43 E44 F49 C50 T51 H58 L59 F120 G122 | H43-E47 WeakPolarHBondContact O-CB 3.38Å; H43-E47 PolarHBondContact O-N 2.89Å; E44-E47 PolarHBondContact O-N 3.3Å; E47-F49 VanDerWaalsContact C-N 3.34Å; E47-F49 PolarHBondContact O-N 3.27Å; E47-C50 PolarHBondContact O-N 3.31Å; E47-T51 PolarHBondContact O-N 3.24Å; E47-T51 PolarHBondContact O-OG1 3.36Å; E47-H58 IonicContact OE1-CE1 2.94Å; E47-H58 IonicContact OE1-CG 3.42Å; E47-H58 IonicContact OE1-ND1 2.67Å; E47-H58 PolarHBondContact OE1-ND1 3.06Å; E47-L59 WeakPolarHBondContact OE2-CA 3.39Å; E47-L59 WeakPolarHBondContact OE2-CB 3.46Å; E47-L59 PolarHBondContact OE2-N 2.96Å; E47-F120 HydrophobicContact CB-CZ 3.96Å; E47-F120 HydrophobicContact CG-CZ 4.15Å; E47-G122 WeakPolarHBondContact OE2-CA 3.05Å |
| 48 | Q | 92.9 | Very high | 89.7 | Confident | 136 Ų | 136 | 53.6 Ų | 53.6 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.1 | -40.6 | 176.6 | -174 | 177.6 | 6.7 | 0 | 0 | 111.8 | E44 C45 L46 T51 T52 | E44-Q48 WeakPolarHBondContact O-CB 3.27Å; E44-Q48 PolarHBondContact O-N 2.99Å; C45-Q48 PolarHBondContact O-N 3.46Å; L46-Q48 VanDerWaalsContact C-N 3.34Å; Q48-T51 PolarHBondContact O-N 2.88Å; Q48-T52 WeakPolarHBondContact O-CB 3.08Å; Q48-T52 PolarHBondContact O-N 2.05Å; Q48-T52 PolarHBondContact O-OG1 2.86Å |
| 49 | F | 93.4 | Very high | 90.3 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 11% | 0.11 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.5 | -51.4 | 172.4 | 179.5 | -82.5 | 0 | 0 | 0 | 110.7 | V30 P36 C45 L46 E47 T51 T52 E53 F54 F204 | V30-F49 HydrophobicContact CB-CE1 4.45Å; V30-F49 HydrophobicContact CG1-CE1 3.83Å; V30-F49 HydrophobicContact CG1-CZ 3.9Å; V30-F49 HydrophobicContact CG2-CE1 3.98Å; P36-F49 HydrophobicContact CG-CD2 4.26Å; C45-F49 PolarHBondContact O-N 2.86Å; L46-F49 WeakPolarHBondContact O-CB 3.34Å; L46-F49 PolarHBondContact O-N 3.43Å; E47-F49 VanDerWaalsContact C-N 3.34Å; E47-F49 PolarHBondContact O-N 3.27Å; F49-T51 VanDerWaalsContact C-N 3.29Å; F49-T51 PolarHBondContact O-N 3.3Å; F49-T52 PolarHBondContact O-N 2.81Å; F49-T52 VanDerWaalsContact O-N 3.17Å; F49-E53 HydrophobicContact CD1-CB 4.4Å; F49-E53 HydrophobicContact CD1-CG 4.19Å; F49-E53 HydrophobicContact CD2-CG 4.15Å; F49-E53 HydrophobicContact CE1-CB 4.09Å; F49-E53 HydrophobicContact CE1-CG 3.84Å; F49-E53 HydrophobicContact CE2-CG 3.82Å; F49-E53 HydrophobicContact CG-CG 4.35Å; F49-E53 HydrophobicContact CZ-CB 4.36Å; F49-E53 HydrophobicContact CZ-CG 3.66Å; F49-E53 WeakPolarHBondContact O-CB 3.47Å; F49-E53 PolarHBondContact O-N 2.95Å; F49-F54 HydrophobicContact CE1-CE2 4.13Å; F49-F204 AromaticContact CD1-CE2 3.72Å; F49-F204 HydrophobicContact CD1-CE2 3.72Å; F49-F204 AromaticContact CD1-CZ 3.51Å; F49-F204 HydrophobicContact CD1-CZ 3.51Å; F49-F204 HydrophobicContact CE1-CE2 4.16Å; F49-F204 AromaticContact CE1-CZ 3.69Å; F49-F204 HydrophobicContact CE1-CZ 3.69Å; F49-F204 HydrophobicContact CG-CE2 4.46Å; F49-F204 HydrophobicContact CG-CZ 4.08Å; F49-F204 HydrophobicContact CZ-CZ 4.36Å |
| 50 | C | 93.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.1 | -41.6 | -179.9 | -67 | 0 | 0 | 0 | 0 | 112.1 | L46 E47 F54 G57 C206 | L46-C50 PolarHBondContact O-N 2.76Å; L46-C50 PolarHBondContact O-SG 3.41Å; L46-C50 VanDerWaalsContact O-SG 3.38Å; E47-C50 PolarHBondContact O-N 3.31Å; C50-F54 WeakPolarHBondContact O-CB 3.37Å; C50-F54 PolarHBondContact O-N 3.16Å; C50-G57 WeakPolarHBondContact O-CA 3.43Å; C50-C206 WeakPolarHBondContact CA-SG 3.44Å; C50-C206 HydrophobicContact CB-CB 3.71Å; C50-C206 WeakPolarHBondContact CB-SG 3.41Å; C50-C206 VanDerWaalsContact SG-CA 3.53Å; C50-C206 WeakPolarHBondContact SG-CB 3.28Å; C50-C206 CovalentContact SG-SG 2.04Å; C50-C206 PolarHBondContact SG-SG 3.31Å |
| 51 | T | 92.8 | Very high | 92.2 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.2 | -36.7 | 178.6 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | E47 Q48 F49 G57 | E47-T51 PolarHBondContact O-N 3.24Å; E47-T51 PolarHBondContact O-OG1 3.36Å; Q48-T51 PolarHBondContact O-N 2.88Å; F49-T51 VanDerWaalsContact C-N 3.29Å; F49-T51 PolarHBondContact O-N 3.3Å; T51-G57 WeakPolarHBondContact CA-O 3.44Å; T51-G57 PolarHBondContact N-O 2.67Å; T51-G57 PolarHBondContact OG1-O 2.95Å |
| 52 | T | 91.4 | Very high | 92.5 | Very high | 101 Ų | 101 | 37.2 Ų | 37.2 | 62% | 0.62 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -79.4 | -43.9 | -177 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | Q48 F49 | Q48-T52 WeakPolarHBondContact O-CB 3.08Å; Q48-T52 PolarHBondContact O-N 2.05Å; Q48-T52 PolarHBondContact O-OG1 2.86Å; F49-T52 PolarHBondContact O-N 2.81Å; F49-T52 VanDerWaalsContact O-N 3.17Å |
| 53 | E | 89.3 | Confident | 92.5 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -81.9 | -31.2 | -174.7 | -74 | -63.6 | 138 | 0 | 0 | 112.8 | F49 K244 Y245 | F49-E53 HydrophobicContact CD1-CB 4.4Å; F49-E53 HydrophobicContact CD1-CG 4.19Å; F49-E53 HydrophobicContact CD2-CG 4.15Å; F49-E53 HydrophobicContact CE1-CB 4.09Å; F49-E53 HydrophobicContact CE1-CG 3.84Å; F49-E53 HydrophobicContact CE2-CG 3.82Å; F49-E53 HydrophobicContact CG-CG 4.35Å; F49-E53 HydrophobicContact CZ-CB 4.36Å; F49-E53 HydrophobicContact CZ-CG 3.66Å; F49-E53 WeakPolarHBondContact O-CB 3.47Å; F49-E53 PolarHBondContact O-N 2.95Å; E53-K244 IonicContact OE1-NZ 2.76Å; E53-K244 IonicContact OE2-NZ 3.31Å; E53-K244 PolarHBondContact OE2-NZ 3.38Å; E53-Y245 WeakPolarHBondContact O-CE2 3.39Å; E53-Y245 PolarHBondContact OE2-OH 2.99Å |
| 54 | F | 90.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -122.8 | 135.4 | -176.3 | -51 | -83.5 | 0 | 0 | 0 | 111.9 | P9 F17 V30 F49 C50 G56 G57 C206 H208 Y211 Y245 | P9-F54 HydrophobicContact CG-CD1 4.22Å; P9-F54 HydrophobicContact CG-CE1 3.89Å; F17-F54 HydrophobicContact CD1-CE1 4.44Å; F17-F54 AromaticContact CD1-CZ 3.79Å; F17-F54 HydrophobicContact CD1-CZ 3.79Å; F17-F54 AromaticContact CE1-CZ 3.85Å; F17-F54 HydrophobicContact CE1-CZ 3.85Å; F17-F54 HydrophobicContact CG-CZ 4.39Å; F17-F54 HydrophobicContact CZ-CZ 4.5Å; V30-F54 HydrophobicContact CG2-CE2 4.14Å; V30-F54 HydrophobicContact CG2-CZ 4.23Å; F49-F54 HydrophobicContact CE1-CE2 4.13Å; C50-F54 WeakPolarHBondContact O-CB 3.37Å; C50-F54 PolarHBondContact O-N 3.16Å; F54-G56 PolarHBondContact O-N 2.79Å; F54-G56 VanDerWaalsContact O-N 3.09Å; F54-G57 PolarHBondContact O-N 3.43Å; F54-C206 HydrophobicContact CD2-CB 3.65Å; F54-C206 HydrophobicContact CE2-CB 3.74Å; F54-H208 HydrophobicContact CB-CB 3.51Å; F54-H208 AromaticContact CD1-CD2 3.52Å; F54-H208 AromaticContact CD1-CE1 3.96Å; F54-H208 AromaticContact CD1-CG 3.99Å; F54-H208 AromaticContact CD1-NE2 3.53Å; F54-H208 AromaticContact CE1-NE2 3.97Å; F54-H208 HydrophobicContact CG-CB 4.34Å; F54-H208 AromaticContact CG-CD2 3.62Å; F54-H208 AromaticContact CG-CG 3.94Å; F54-Y211 WeakPolarHBondContact CA-OH 3.28Å; F54-Y211 WeakPolarHBondContact CD1-OH 3.42Å; F54-Y245 HydrophobicContact CD1-CD2 4.03Å; F54-Y245 AromaticContact CD1-CE2 3.89Å; F54-Y245 HydrophobicContact CD1-CE2 3.89Å; F54-Y245 HydrophobicContact CE1-CD2 4.02Å; F54-Y245 AromaticContact CE1-CE2 3.7Å; F54-Y245 HydrophobicContact CE1-CE2 3.7Å |
| 55 | S | 86.4 | Confident | 92.3 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 53% | 0.531 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 115.2 | -177.8 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | G57 K209 | S55-G57 PolarHBondContact O-N 3.33Å; S55-K209 PolarHBondContact O-N 2.94Å |
| 56 | G | 89.3 | Confident | 92 | Very high | 39 Ų | 39 | 43 Ų | 43 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 34.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F54 H58 | F54-G56 PolarHBondContact O-N 2.79Å; F54-G56 VanDerWaalsContact O-N 3.09Å; G56-H58 PolarHBondContact O-CD2 3.3Å |
| 57 | G | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -77.5 | 139.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C50 T51 F54 S55 Q207 | C50-G57 WeakPolarHBondContact O-CA 3.43Å; T51-G57 WeakPolarHBondContact CA-O 3.44Å; T51-G57 PolarHBondContact N-O 2.67Å; T51-G57 PolarHBondContact OG1-O 2.95Å; F54-G57 PolarHBondContact O-N 3.43Å; S55-G57 PolarHBondContact O-N 3.33Å; G57-Q207 CarbonylContact C-O 3.55Å; G57-Q207 VanDerWaalsContact CA-O 3.24Å; G57-Q207 WeakPolarHBondContact CA-O 3.37Å | ||
| 58 | H | 95.3 | Very high | 91.4 | Very high | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.259 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152.4 | 177.1 | -66.9 | -71.6 | 0 | 0 | 0 | 110.3 | E47 G56 M60 L123 C206 Q207 | E47-H58 IonicContact OE1-CE1 2.94Å; E47-H58 IonicContact OE1-CG 3.42Å; E47-H58 IonicContact OE1-ND1 2.67Å; E47-H58 PolarHBondContact OE1-ND1 3.06Å; G56-H58 PolarHBondContact O-CD2 3.3Å; H58-M60 PolarHBondContact O-N 3.03Å; H58-L123 HydrophobicContact CB-CD2 4.47Å; H58-L123 HydrophobicContact CB-CG 4.3Å; H58-C206 CarbonylContact O-C 3.57Å; H58-C206 WeakPolarHBondContact O-CA 3.4Å; H58-Q207 PolarHBondContact N-O 3.47Å; H58-Q207 PolarHBondContact O-N 2.99Å |
| 59 | L | 95 | Very high | 91 | Very high | 6 Ų | 6 | 46.7 Ų | 46.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 126.8 | 175.8 | -159.7 | 66.8 | 0 | 0 | 0 | 110 | L46 E47 A89 F120 F204 | L46-L59 HydrophobicContact CB-CD1 3.72Å; L46-L59 HydrophobicContact CB-CD2 3.94Å; L46-L59 HydrophobicContact CB-CG 4.46Å; E47-L59 WeakPolarHBondContact OE2-CA 3.39Å; E47-L59 WeakPolarHBondContact OE2-CB 3.46Å; E47-L59 PolarHBondContact OE2-N 2.96Å; L59-A89 HydrophobicContact CB-CB 3.94Å; L59-A89 HydrophobicContact CD2-CB 3.66Å; L59-A89 HydrophobicContact CG-CB 3.51Å; L59-F120 HydrophobicContact CD2-CE1 4.26Å; L59-F204 HydrophobicContact CD1-CB 4.45Å; L59-F204 HydrophobicContact CD1-CD2 3.62Å; L59-F204 HydrophobicContact CD1-CE2 4.37Å; L59-F204 HydrophobicContact CD1-CG 4.45Å |
| 60 | M | 94 | Very high | 90.6 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.069 | 28% | 0.278 | C | S | . | . | trans | -86.4 | 129 | -171 | -175.9 | 63.5 | -174.8 | 0 | 0 | 112.1 | V27 H58 W62 A89 A205 Q207 | V27-M60 HydrophobicContact CG1-CG 4.32Å; H58-M60 PolarHBondContact O-N 3.03Å; M60-W62 HydrophobicContact CB-CH2 3.99Å; M60-W62 HydrophobicContact CB-CZ2 4.34Å; M60-W62 HydrophobicContact CB-CZ3 4.24Å; M60-W62 HydrophobicContact CE-CD2 4.32Å; M60-W62 HydrophobicContact CE-CG 4.47Å; M60-W62 HydrophobicContact CE-CZ2 4.24Å; M60-W62 HydrophobicContact CG-CD2 4.15Å; M60-W62 HydrophobicContact CG-CE3 4.2Å; M60-W62 HydrophobicContact CG-CH2 3.51Å; M60-W62 HydrophobicContact CG-CZ2 3.39Å; M60-W62 HydrophobicContact CG-CZ3 3.89Å; M60-A89 VanDerWaalsContact C-CB 3.41Å; M60-A89 WeakPolarHBondContact O-CB 3.44Å; M60-A89 PolarHBondContact O-N 2.86Å; M60-A205 HydrophobicContact CB-CB 3.87Å; M60-A205 WeakPolarHBondContact CB-O 3.47Å; M60-A205 PolarHBondContact N-O 3.48Å; M60-Q207 HydrophobicContact CB-CB 4.26Å; M60-Q207 HydrophobicContact SD-CB 3.83Å; M60-Q207 HydrophobicContact SD-CG 4.26Å; M60-Q207 PolarHBondContact SD-OE1 2.93Å | ||
| 61 | N | 94.2 | Very high | 89.9 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 14% | 0.144 | 29% | 0.291 | C | S | . | . | trans | -113.6 | 159 | 168.7 | 65 | -80.9 | 0 | 0 | 0 | 111.4 | N88 A89 K90 | N61-N88 VanDerWaalsContact CA-OD1 3.3Å; N61-N88 WeakPolarHBondContact CA-OD1 3.38Å; N61-N88 WeakPolarHBondContact CB-OD1 3.44Å; N61-A89 HydrophobicContact CB-CB 3.96Å; N61-K90 HydrophobicContact CB-CB 3.91Å | ||
| 62 | W | 92.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | trans | -132.7 | 140 | 171.3 | -62.8 | -96.8 | 0 | 0 | 0 | 109.4 | Y20 V27 F29 M60 D66 L67 I86 N88 L178 I190 A205 | Y20-W62 HydrophobicContact CE1-CZ2 4.2Å; Y20-W62 PolarHBondContact OH-NE1 2.76Å; V27-W62 HydrophobicContact CG1-CH2 4.49Å; V27-W62 HydrophobicContact CG1-CZ2 4.16Å; F29-W62 HydrophobicContact CE1-CH2 4.29Å; F29-W62 HydrophobicContact CE1-CZ2 4.43Å; M60-W62 HydrophobicContact CB-CH2 3.99Å; M60-W62 HydrophobicContact CB-CZ2 4.34Å; M60-W62 HydrophobicContact CB-CZ3 4.24Å; M60-W62 HydrophobicContact CE-CD2 4.32Å; M60-W62 HydrophobicContact CE-CG 4.47Å; M60-W62 HydrophobicContact CE-CZ2 4.24Å; M60-W62 HydrophobicContact CG-CD2 4.15Å; M60-W62 HydrophobicContact CG-CE3 4.2Å; M60-W62 HydrophobicContact CG-CH2 3.51Å; M60-W62 HydrophobicContact CG-CZ2 3.39Å; M60-W62 HydrophobicContact CG-CZ3 3.89Å; W62-D66 HydrophobicContact CB-CB 4.4Å; W62-L67 HydrophobicContact CB-CD2 3.84Å; W62-L67 HydrophobicContact CG-CD2 4.3Å; W62-I86 HydrophobicContact CH2-CG2 4.22Å; W62-I86 HydrophobicContact CZ3-CG2 4.19Å; W62-N88 PolarHBondContact N-OD1 3.3Å; W62-N88 PolarHBondContact O-ND2 2.01Å; W62-L178 HydrophobicContact CD2-CD2 3.67Å; W62-L178 HydrophobicContact CE3-CB 4.25Å; W62-L178 HydrophobicContact CE3-CD2 3.68Å; W62-L178 HydrophobicContact CG-CD2 4.28Å; W62-L178 HydrophobicContact CH2-CD2 3.89Å; W62-L178 HydrophobicContact CZ2-CD2 3.92Å; W62-L178 HydrophobicContact CZ3-CB 4.48Å; W62-L178 HydrophobicContact CZ3-CD2 3.8Å; W62-I190 WeakPolarHBondContact O-CD1 3.08Å; W62-A205 HydrophobicContact CH2-CB 3.43Å; W62-A205 VanDerWaalsContact CH2-CB 3.43Å; W62-A205 HydrophobicContact CZ2-CB 4.4Å; W62-A205 HydrophobicContact CZ3-CB 4.1Å | ||
| 63 | D | 91.8 | Very high | 87.6 | Confident | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.182 | 30% | 0.296 | C | S | . | . | trans | -95.8 | 161.8 | 159.8 | -79.9 | -49 | 0 | 0 | 0 | 110 | N65 D66 K90 | D63-N65 PolarHBondContact O-N 2.91Å; D63-N65 VanDerWaalsContact O-N 3.08Å; D63-D66 PolarHBondContact N-OD2 2.99Å; D63-D66 WeakPolarHBondContact O-CB 3.19Å; D63-D66 PolarHBondContact O-N 3.2Å; D63-K90 IonicContact OD1-NZ 2.7Å; D63-K90 PolarHBondContact OD1-NZ 2.85Å; D63-K90 IonicContact OD2-NZ 3.16Å; D63-K90 PolarHBondContact OD2-NZ 3.2Å | ||
| 64 | P | 90.4 | Very high | 86.5 | Confident | 45 Ų | 45 | 49 Ų | 49 | 29% | 0.292 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -53.9 | -32.4 | -177.2 | -29.2 | 36.1 | 0 | 0 | 0 | 114.4 | D66 L67 D153 I190 | P64-D66 VanDerWaalsContact C-N 3.3Å; P64-D66 PolarHBondContact O-N 2.89Å; P64-L67 WeakPolarHBondContact O-CB 3.24Å; P64-L67 WeakPolarHBondContact O-CG 3.37Å; P64-L67 PolarHBondContact O-N 3.01Å; P64-D153 HydrophobicContact CG-CB 4.03Å; P64-D153 VanDerWaalsContact CG-O 3.25Å; P64-D153 WeakPolarHBondContact CG-O 3.48Å; P64-I190 HydrophobicContact CG-CD1 4.24Å |
| 65 | N | 89.5 | Confident | 85.6 | Confident | 116 Ų | 116 | 49.4 Ų | 49.4 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -70.9 | -26.2 | 179 | -60.7 | -36.3 | 0 | 0 | 0 | 112.4 | D63 L67 D153 | D63-N65 PolarHBondContact O-N 2.91Å; D63-N65 VanDerWaalsContact O-N 3.08Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 2.89Å; N65-D153 PolarHBondContact ND2-OD2 2.65Å |
| 66 | D | 87.9 | Confident | 84.9 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 34% | 0.337 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -79 | -14.2 | 178.7 | -52.7 | -40 | 0 | 0 | 0 | 112.4 | W62 D63 P64 A68 D69 | W62-D66 HydrophobicContact CB-CB 4.4Å; D63-D66 PolarHBondContact N-OD2 2.99Å; D63-D66 WeakPolarHBondContact O-CB 3.19Å; D63-D66 PolarHBondContact O-N 3.2Å; P64-D66 VanDerWaalsContact C-N 3.3Å; P64-D66 PolarHBondContact O-N 2.89Å; D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.78Å; D66-D69 PolarHBondContact O-N 2.7Å |
| 67 | L | 90.1 | Very high | 84.2 | Confident | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -68.7 | -27.2 | -172.7 | -60.1 | -174.5 | 0 | 0 | 0 | 113.1 | W62 P64 N65 D69 I70 L178 P188 I190 | W62-L67 HydrophobicContact CB-CD2 3.84Å; W62-L67 HydrophobicContact CG-CD2 4.3Å; P64-L67 WeakPolarHBondContact O-CB 3.24Å; P64-L67 WeakPolarHBondContact O-CG 3.37Å; P64-L67 PolarHBondContact O-N 3.01Å; N65-L67 VanDerWaalsContact C-N 3.29Å; N65-L67 PolarHBondContact O-N 2.89Å; L67-D69 VanDerWaalsContact C-N 3.26Å; L67-D69 PolarHBondContact O-N 2.93Å; L67-I70 HydrophobicContact CD2-CD1 4.05Å; L67-I70 PolarHBondContact O-N 3.29Å; L67-L178 HydrophobicContact CD2-CD1 3.5Å; L67-L178 VanDerWaalsContact CD2-CD1 3.5Å; L67-P188 HydrophobicContact CB-CB 4.38Å; L67-I190 HydrophobicContact CD1-CG1 4.26Å; L67-I190 HydrophobicContact CD2-CG1 4.39Å |
| 68 | A | 85.9 | Confident | 83.2 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -68.8 | -26.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | D66 I70 | D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.78Å; A68-I70 VanDerWaalsContact C-N 3.3Å; A68-I70 PolarHBondContact O-N 2.01Å |
| 69 | D | 83.4 | Confident | 82.2 | Confident | 131 Ų | 131 | 56.7 Ų | 56.7 | 70% | 0.701 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -83.2 | -6.3 | -177.3 | -65.9 | -26 | 0 | 0 | 0 | 113.1 | D66 L67 P71 | D66-D69 PolarHBondContact O-N 2.7Å; L67-D69 VanDerWaalsContact C-N 3.26Å; L67-D69 PolarHBondContact O-N 2.93Å; D69-P71 VanDerWaalsContact O-CD 3.23Å; D69-P71 WeakPolarHBondContact O-CD 3.07Å |
| 70 | I | 85.4 | Confident | 81.4 | Confident | 7 Ų | 7 | 65.5 Ų | 65.5 | 4% | 0.036 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -71.7 | 115.4 | 176.7 | -57.1 | 176.7 | 0 | 0 | 0 | 108.5 | Y20 L67 A68 K72 L178 L180 | Y20-I70 HydrophobicContact CD1-CG2 4.25Å; Y20-I70 HydrophobicContact CE1-CG2 4.02Å; L67-I70 HydrophobicContact CD2-CD1 4.05Å; L67-I70 PolarHBondContact O-N 3.29Å; A68-I70 VanDerWaalsContact C-N 3.3Å; A68-I70 PolarHBondContact O-N 2.01Å; I70-K72 PolarHBondContact O-N 3.09Å; I70-L178 HydrophobicContact CD1-CD1 4.29Å; I70-L178 HydrophobicContact CD1-CD2 3.84Å; I70-L180 HydrophobicContact CD1-CD2 4.24Å; I70-L180 HydrophobicContact CG2-CD2 4.45Å |
| 71 | P | 79.8 | Confident | 80.8 | Confident | 42 Ų | 42 | 67.2 Ų | 67.2 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | trans | -72.6 | 91.7 | -178.3 | 30.8 | -35 | 0 | 0 | 0 | 110.1 | Y20 D69 A73 D74 | Y20-P71 HydrophobicContact CD2-CG 3.65Å; Y20-P71 HydrophobicContact CG-CG 3.82Å; D69-P71 VanDerWaalsContact O-CD 3.23Å; D69-P71 WeakPolarHBondContact O-CD 3.07Å; P71-A73 PolarHBondContact O-N 2.85Å; P71-A73 VanDerWaalsContact O-N 3.13Å; P71-D74 HydrophobicContact CB-CB 4.23Å; P71-D74 HydrophobicContact CG-CB 4.17Å; P71-D74 PolarHBondContact O-N 2.77Å | ||
| 72 | K | 72.1 | Confident | 80.4 | Confident | 81 Ų | 81 | 73.9 Ų | 73.9 | 35% | 0.352 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -55.5 | -34 | -174 | -60.5 | -171.4 | -169.5 | -171 | 0 | 114.2 | I70 D74 P184 A186 | I70-K72 PolarHBondContact O-N 3.09Å; K72-D74 PolarHBondContact O-N 2.85Å; K72-P184 PolarHBondContact NZ-O 2.97Å; K72-P184 VanDerWaalsContact NZ-O 3.15Å; K72-A186 PolarHBondContact NZ-O 2.8Å |
| 73 | A | 62.5 | Low | 80.3 | Confident | 103 Ų | 103 | 78.9 Ų | 78.9 | 85% | 0.851 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -69.6 | -21.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P71 | P71-A73 PolarHBondContact O-N 2.85Å; P71-A73 VanDerWaalsContact O-N 3.13Å |
| 74 | D | 67.4 | Low | 80.2 | Confident | 73 Ų | 73 | 77.8 Ų | 77.8 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -92.1 | -10.8 | -175.2 | -80.1 | 16.3 | 0 | 0 | 0 | 113.3 | K10 P71 K72 V76 | K10-D74 IonicContact NZ-OD2 2.92Å; K10-D74 PolarHBondContact NZ-OD2 3.22Å; K10-D74 VanDerWaalsContact NZ-OD2 3.16Å; P71-D74 HydrophobicContact CB-CB 4.23Å; P71-D74 HydrophobicContact CG-CB 4.17Å; P71-D74 PolarHBondContact O-N 2.77Å; K72-D74 PolarHBondContact O-N 2.85Å; D74-V76 PolarHBondContact O-N 2.91Å |
| 75 | V | 71.7 | Confident | 80.4 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 6% | 0.061 | 41% | 0.411 | C | S | . | . | trans | -79.3 | 119.5 | -176.4 | -179.3 | 0 | 0 | 0 | 0 | 109.4 | F29 Y77 L180 | F29-V75 HydrophobicContact CE2-CG1 3.94Å; V75-Y77 HydrophobicContact CB-CD2 4.48Å; V75-Y77 HydrophobicContact CB-CE2 3.78Å; V75-Y77 HydrophobicContact CG1-CD2 4.28Å; V75-Y77 HydrophobicContact CG1-CE1 4.14Å; V75-Y77 HydrophobicContact CG1-CE2 3.77Å; V75-Y77 WeakPolarHBondContact O-CD2 2.85Å; V75-Y77 WeakPolarHBondContact O-CE2 3.09Å; V75-Y77 PolarHBondContact O-N 3.14Å; V75-L180 HydrophobicContact CG1-CD1 4.19Å; V75-L180 HydrophobicContact CG2-CD1 4.29Å | ||
| 76 | V | 71.1 | Confident | 80.6 | Confident | 58 Ų | 58 | 73.7 Ų | 73.7 | 35% | 0.352 | 38% | 0.381 | S | S | . | . | trans | -79.6 | 113.8 | 175.7 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | P14 D74 Y84 | P14-V76 HydrophobicContact CB-CG1 4.38Å; P14-V76 HydrophobicContact CB-CG2 4.03Å; D74-V76 PolarHBondContact O-N 2.91Å; V76-Y84 PolarHBondContact O-OH 3.42Å | ||
| 77 | Y | 74 | Confident | 80.9 | Confident | 44 Ų | 44 | 70.8 Ų | 70.8 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | trans | -96.9 | 140 | 175.9 | -65.3 | -87.3 | 0 | 0 | 0 | 111.7 | V75 Y84 L180 Y181 R182 | V75-Y77 HydrophobicContact CB-CD2 4.48Å; V75-Y77 HydrophobicContact CB-CE2 3.78Å; V75-Y77 HydrophobicContact CG1-CD2 4.28Å; V75-Y77 HydrophobicContact CG1-CE1 4.14Å; V75-Y77 HydrophobicContact CG1-CE2 3.77Å; V75-Y77 WeakPolarHBondContact O-CD2 2.85Å; V75-Y77 WeakPolarHBondContact O-CE2 3.09Å; V75-Y77 PolarHBondContact O-N 3.14Å; Y77-Y84 WeakPolarHBondContact CA-OH 3.46Å; Y77-Y84 HydrophobicContact CD1-CD2 4.15Å; Y77-Y84 HydrophobicContact CD1-CE1 4.42Å; Y77-Y84 HydrophobicContact CD1-CE2 4Å; Y77-Y84 HydrophobicContact CD1-CG 4.46Å; Y77-Y84 HydrophobicContact CE1-CD2 4.24Å; Y77-Y84 HydrophobicContact CE1-CE2 4.48Å; Y77-L180 HydrophobicContact CE1-CB 4.24Å; Y77-Y181 PolarHBondContact OH-O 3.35Å; Y77-R182 HydrophobicContact CD1-CB 3.95Å; Y77-R182 HydrophobicContact CD1-CG 4.43Å; Y77-R182 HydrophobicContact CD2-CB 4.5Å; Y77-R182 HydrophobicContact CD2-CG 4.31Å; Y77-R182 HydrophobicContact CE1-CB 4.35Å; Y77-R182 HydrophobicContact CG-CB 4.04Å; Y77-R182 HydrophobicContact CG-CG 4.01Å | ||
| 78 | D | 73.4 | Confident | 81.2 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | trans | -62.7 | 135.6 | 163.6 | -170.8 | -28.2 | 0 | 0 | 0 | 108 | F80 M81 Y84 | D78-F80 PolarHBondContact O-N 3.47Å; D78-F80 VanDerWaalsContact O-N 3.15Å; D78-F80 VanDerWaalsContact OD1-CD2 3.27Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.24Å; D78-F80 PolarHBondContact OD1-N 2.02Å; D78-M81 HydrophobicContact CB-CB 4.37Å; D78-M81 HydrophobicContact CB-CE 3.88Å; D78-M81 HydrophobicContact CB-CG 4.32Å; D78-M81 PolarHBondContact O-N 3.28Å; D78-Y84 HydrophobicContact CB-CE1 4.35Å; D78-Y84 PolarHBondContact N-OH 2.8Å | ||
| 79 | K | 74.1 | Confident | 81.7 | Confident | 164 Ų | 164 | 65.4 Ų | 65.4 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -22.6 | 178.8 | -66.9 | -177.3 | -179.5 | 179.3 | 0 | 112.5 | R182 | K79-R182 PolarHBondContact O-NH1 3.03Š|
| 80 | F | 78 | Confident | 82.3 | Confident | 191 Ų | 191 | 59.3 Ų | 59.3 | 84% | 0.838 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.9 | -6.9 | -177.8 | -58.2 | -70.1 | 0 | 0 | 0 | 114.4 | D78 | D78-F80 PolarHBondContact O-N 3.47Å; D78-F80 VanDerWaalsContact O-N 3.15Å; D78-F80 VanDerWaalsContact OD1-CD2 3.27Å; D78-F80 WeakPolarHBondContact OD1-CD2 3.24Å; D78-F80 PolarHBondContact OD1-N 2.02Å |
| 81 | M | 81.2 | Confident | 82.8 | Confident | 49 Ų | 49 | 59 Ų | 59 | 24% | 0.241 | 29% | 0.29 | C | S | . | . | trans | -108.8 | 129.6 | 179.8 | -67.5 | -163.8 | -112.4 | 0 | 0 | 111.8 | D78 Y84 R182 Y203 | D78-M81 HydrophobicContact CB-CB 4.37Å; D78-M81 HydrophobicContact CB-CE 3.88Å; D78-M81 HydrophobicContact CB-CG 4.32Å; D78-M81 PolarHBondContact O-N 3.28Å; M81-Y84 HydrophobicContact CB-CD1 4.04Å; M81-Y84 HydrophobicContact CB-CE1 3.72Å; M81-Y84 HydrophobicContact CE-CD1 4.39Å; M81-Y84 HydrophobicContact CE-CE1 3.74Å; M81-Y84 HydrophobicContact CG-CE1 4.17Å; M81-Y84 HydrophobicContact SD-CD1 3.76Å; M81-Y84 HydrophobicContact SD-CE1 3.61Å; M81-R182 WeakPolarHBondContact O-CD 3.13Å; M81-Y203 HydrophobicContact CE-CE2 4.06Å; M81-Y203 WeakPolarHBondContact CE-OH 3.25Å; M81-Y203 HydrophobicContact SD-CE2 4.47Å | ||
| 82 | E | 87 | Confident | 83.5 | Confident | 168 Ų | 168 | 57 Ų | 57 | 79% | 0.785 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -81.7 | -26.3 | 173.7 | -65 | -173.6 | 163.6 | 0 | 0 | 112.6 | R182 | E82-R182 WeakPolarHBondContact O-CB 3.33Å; E82-R182 PolarHBondContact O-N 2.68Å |
| 83 | R | 89.7 | Confident | 84.6 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 40% | 0.4 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 151.8 | -179.8 | 65.5 | -177.7 | 179.8 | -169 | -4.5 | 110.7 | V179 L180 Y181 | R83-V179 HydrophobicContact CB-CG1 4.13Å; R83-L180 CarbonylContact C-O 3.49Å; R83-L180 WeakPolarHBondContact CA-O 3.06Å; R83-L180 VanDerWaalsContact CB-O 3.31Å; R83-L180 WeakPolarHBondContact CB-O 3.37Å; R83-Y181 HydrophobicContact CB-CD1 3.98Å; R83-Y181 HydrophobicContact CB-CE1 4.32Å |
| 84 | Y | 89.9 | Confident | 86.1 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.7 | 169.8 | -67.6 | -16.1 | 0 | 0 | 0 | 110.1 | V76 Y77 D78 M81 V179 L180 Y203 | V76-Y84 PolarHBondContact O-OH 3.42Å; Y77-Y84 WeakPolarHBondContact CA-OH 3.46Å; Y77-Y84 HydrophobicContact CD1-CD2 4.15Å; Y77-Y84 HydrophobicContact CD1-CE1 4.42Å; Y77-Y84 HydrophobicContact CD1-CE2 4Å; Y77-Y84 HydrophobicContact CD1-CG 4.46Å; Y77-Y84 HydrophobicContact CE1-CD2 4.24Å; Y77-Y84 HydrophobicContact CE1-CE2 4.48Å; D78-Y84 HydrophobicContact CB-CE1 4.35Å; D78-Y84 PolarHBondContact N-OH 2.8Å; M81-Y84 HydrophobicContact CB-CD1 4.04Å; M81-Y84 HydrophobicContact CB-CE1 3.72Å; M81-Y84 HydrophobicContact CE-CD1 4.39Å; M81-Y84 HydrophobicContact CE-CE1 3.74Å; M81-Y84 HydrophobicContact CG-CE1 4.17Å; M81-Y84 HydrophobicContact SD-CD1 3.76Å; M81-Y84 HydrophobicContact SD-CE1 3.61Å; Y84-V179 WeakPolarHBondContact O-CA 3.36Å; Y84-L180 PolarHBondContact N-O 2.9Å; Y84-L180 PolarHBondContact O-N 2.99Å; Y84-Y203 HydrophobicContact CD1-CD2 4.42Å; Y84-Y203 AromaticContact CD1-CE2 3.82Å; Y84-Y203 HydrophobicContact CD1-CE2 3.82Å; Y84-Y203 HydrophobicContact CD2-CD2 4.38Å; Y84-Y203 HydrophobicContact CD2-CE2 4.23Å; Y84-Y203 AromaticContact CE1-CE2 3.88Å; Y84-Y203 HydrophobicContact CE1-CE2 3.88Å; Y84-Y203 HydrophobicContact CE2-CE2 4.28Å; Y84-Y203 HydrophobicContact CG-CD2 4.16Å; Y84-Y203 AromaticContact CG-CE2 3.98Å; Y84-Y203 HydrophobicContact CG-CE2 3.98Å |
| 85 | R | 93.7 | Very high | 87.4 | Confident | 74 Ų | 74 | 54.4 Ų | 54.4 | 28% | 0.279 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 109 | 163.6 | -62.5 | 176.2 | 179.1 | -175.7 | 1.1 | 108.3 | N177 D202 Y203 | R85-N177 HydrophobicContact CB-CB 4.32Å; R85-D202 VanDerWaalsContact CB-OD2 3.32Å; R85-D202 WeakPolarHBondContact CB-OD2 3.24Å; R85-D202 PolarHBondContact N-OD2 3.44Å; R85-D202 PolarHBondContact O-N 3.37Å; R85-Y203 PolarHBondContact O-N 3.03Å; R85-Y203 VanDerWaalsContact O-N 3.09Å |
| 86 | I | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 126.4 | 177 | -53.1 | 176 | 0 | 0 | 0 | 107.4 | F29 W62 N88 N177 L178 L180 Y203 A205 | F29-I86 HydrophobicContact CD1-CD1 4.01Å; F29-I86 HydrophobicContact CD2-CD1 3.8Å; F29-I86 HydrophobicContact CE1-CD1 3.68Å; F29-I86 HydrophobicContact CE2-CD1 3.45Å; F29-I86 VanDerWaalsContact CE2-CD1 3.45Å; F29-I86 HydrophobicContact CG-CD1 4.08Å; F29-I86 HydrophobicContact CZ-CD1 3.4Å; W62-I86 HydrophobicContact CH2-CG2 4.22Å; W62-I86 HydrophobicContact CZ3-CG2 4.19Å; I86-N88 PolarHBondContact O-N 2.64Å; I86-N88 VanDerWaalsContact O-N 3.17Å; I86-N177 CarbonylContact O-C 3.59Å; I86-N177 VanDerWaalsContact O-CA 3.26Å; I86-N177 WeakPolarHBondContact O-CA 2.94Å; I86-L178 HydrophobicContact CB-CB 4.3Å; I86-L178 HydrophobicContact CD1-CD2 4.41Å; I86-L178 PolarHBondContact N-O 2.68Å; I86-L178 PolarHBondContact O-N 2.8Å; I86-L180 HydrophobicContact CD1-CD1 3.5Å; I86-L180 VanDerWaalsContact CD1-CD1 3.5Å; I86-L180 HydrophobicContact CD1-CG 3.89Å; I86-Y203 CarbonylContact C-O 3.51Å; I86-Y203 VanDerWaalsContact CA-O 3.27Å; I86-Y203 WeakPolarHBondContact CA-O 3.4Å; I86-A205 HydrophobicContact CG2-CB 3.97Å |
| 87 | L | 95.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 122.9 | 173.2 | 177.7 | 66.8 | 0 | 0 | 0 | 109.4 | L42 L46 C175 F201 Y203 F204 | L42-L87 HydrophobicContact CD2-CD2 4.49Å; L46-L87 HydrophobicContact CD1-CD2 3.35Å; L87-C175 HydrophobicContact CD1-CB 3.81Å; L87-F201 HydrophobicContact CB-CB 4.15Å; L87-F201 HydrophobicContact CB-CD1 3.97Å; L87-F201 HydrophobicContact CB-CD2 4.07Å; L87-F201 HydrophobicContact CB-CE1 4.36Å; L87-F201 HydrophobicContact CB-CE2 4.46Å; L87-F201 HydrophobicContact CB-CG 3.8Å; L87-F201 HydrophobicContact CD1-CD1 4.02Å; L87-F201 HydrophobicContact CD1-CE1 4.28Å; L87-F201 HydrophobicContact CD2-CD1 4.46Å; L87-F201 HydrophobicContact CD2-CE1 4.09Å; L87-F201 HydrophobicContact CD2-CZ 4.23Å; L87-F201 HydrophobicContact CG-CD1 4.37Å; L87-F201 HydrophobicContact CG-CE1 4.48Å; L87-Y203 PolarHBondContact N-O 2.98Å; L87-F204 HydrophobicContact CB-CB 4.06Å; L87-F204 HydrophobicContact CD2-CB 4.37Å |
| 88 | N | 95.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.5 | 170.3 | -169.4 | -27.8 | 0 | 0 | 0 | 108.5 | N61 W62 I86 K90 R176 I190 | N61-N88 VanDerWaalsContact CA-OD1 3.3Å; N61-N88 WeakPolarHBondContact CA-OD1 3.38Å; N61-N88 WeakPolarHBondContact CB-OD1 3.44Å; W62-N88 PolarHBondContact N-OD1 3.3Å; W62-N88 PolarHBondContact O-ND2 2.01Å; I86-N88 PolarHBondContact O-N 2.64Å; I86-N88 VanDerWaalsContact O-N 3.17Å; N88-K90 PolarHBondContact O-N 3.37Å; N88-K90 VanDerWaalsContact O-N 3.12Å; N88-K90 PolarHBondContact OD1-N 2.99Å; N88-R176 WeakPolarHBondContact CB-O 3.32Å; N88-R176 PolarHBondContact N-O 3.15Å; N88-I190 WeakPolarHBondContact ND2-CD1 3.31Å |
| 89 | A | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -10.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L59 M60 N61 I91 | L59-A89 HydrophobicContact CB-CB 3.94Å; L59-A89 HydrophobicContact CD2-CB 3.66Å; L59-A89 HydrophobicContact CG-CB 3.51Å; M60-A89 VanDerWaalsContact C-CB 3.41Å; M60-A89 WeakPolarHBondContact O-CB 3.44Å; M60-A89 PolarHBondContact O-N 2.86Å; N61-A89 HydrophobicContact CB-CB 3.96Å; A89-I91 WeakPolarHBondContact O-CG1 3.28Å; A89-I91 PolarHBondContact O-N 3.12Å |
| 90 | K | 95.8 | Very high | 92.3 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 1% | 0.013 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 90.4 | 172.7 | -171.4 | 161.5 | -178.6 | 179.9 | 0 | 109.8 | N61 D63 N88 T119 F120 V128 F154 | N61-K90 HydrophobicContact CB-CB 3.91Å; D63-K90 IonicContact OD1-NZ 2.7Å; D63-K90 PolarHBondContact OD1-NZ 2.85Å; D63-K90 IonicContact OD2-NZ 3.16Å; D63-K90 PolarHBondContact OD2-NZ 3.2Å; N88-K90 PolarHBondContact O-N 3.37Å; N88-K90 VanDerWaalsContact O-N 3.12Å; N88-K90 PolarHBondContact OD1-N 2.99Å; K90-T119 HydrophobicContact CG-CG2 4.24Å; K90-F120 WeakPolarHBondContact CA-O 3.44Å; K90-V128 VanDerWaalsContact CE-CG2 3.5Å; K90-F154 HydrophobicContact CB-CD2 4.38Å; K90-F154 HydrophobicContact CB-CE2 3.74Å; K90-F154 HydrophobicContact CB-CZ 3.82Å; K90-F154 HydrophobicContact CD-CD1 4.36Å; K90-F154 HydrophobicContact CD-CD2 3.68Å; K90-F154 HydrophobicContact CD-CE2 3.91Å; K90-F154 HydrophobicContact CD-CG 3.91Å; K90-F154 HydrophobicContact CD-CZ 4.34Å; K90-F154 HydrophobicContact CG-CD1 4.39Å; K90-F154 HydrophobicContact CG-CD2 4.18Å; K90-F154 HydrophobicContact CG-CE1 4.15Å; K90-F154 HydrophobicContact CG-CE2 3.93Å; K90-F154 HydrophobicContact CG-CG 4.39Å; K90-F154 HydrophobicContact CG-CZ 3.91Å; K90-F154 WeakPolarHBondContact O-CZ 3.41Å |
| 91 | I | 96 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 134.2 | -169.5 | -70.6 | 167.7 | 0 | 0 | 0 | 109.9 | H43 A89 L93 T119 F120 P173 | H43-I91 HydrophobicContact CB-CD1 3.47Å; H43-I91 VanDerWaalsContact CB-CD1 3.47Å; A89-I91 WeakPolarHBondContact O-CG1 3.28Å; A89-I91 PolarHBondContact O-N 3.12Å; I91-L93 HydrophobicContact CG2-CD2 4.16Å; I91-L93 PolarHBondContact O-N 2.67Å; I91-T119 CarbonylContact O-C 3.24Å; I91-T119 VanDerWaalsContact O-CA 3.23Å; I91-T119 WeakPolarHBondContact O-CA 3.07Å; I91-F120 HydrophobicContact CB-CB 4.32Å; I91-F120 PolarHBondContact N-O 3.26Å; I91-F120 VanDerWaalsContact N-O 3.08Å; I91-F120 PolarHBondContact O-N 2.91Å; I91-P173 HydrophobicContact CG2-CB 3.78Å |
| 92 | L | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 112.4 | 179.7 | -47.6 | -177.7 | 0 | 0 | 0 | 109 | F117 T119 V128 F154 L172 P173 A174 L193 | L92-F117 HydrophobicContact CB-CB 4.31Å; L92-F117 HydrophobicContact CB-CD1 3.9Å; L92-F117 HydrophobicContact CB-CG 4.39Å; L92-F117 HydrophobicContact CD1-CD1 3.87Å; L92-F117 HydrophobicContact CD1-CE1 4.05Å; L92-F117 HydrophobicContact CD1-CG 4.13Å; L92-F117 HydrophobicContact CD2-CB 3.9Å; L92-F117 HydrophobicContact CD2-CG 4.28Å; L92-F117 HydrophobicContact CG-CB 4.5Å; L92-F117 HydrophobicContact CG-CD1 4.33Å; L92-F117 HydrophobicContact CG-CG 4.5Å; L92-T119 HydrophobicContact CD2-CG2 4Å; L92-V128 HydrophobicContact CD2-CB 4.2Å; L92-V128 HydrophobicContact CD2-CG1 4.41Å; L92-V128 HydrophobicContact CD2-CG2 4.33Å; L92-F154 HydrophobicContact CD2-CE1 4.15Å; L92-L172 HydrophobicContact CB-CD2 4.15Å; L92-P173 CarbonylContact O-C 3.46Å; L92-P173 WeakPolarHBondContact O-CA 3.42Å; L92-A174 HydrophobicContact CB-CB 4.28Å; L92-A174 PolarHBondContact N-O 3.18Å; L92-A174 PolarHBondContact O-N 3.03Å; L92-L193 HydrophobicContact CD1-CD1 4.14Å |
| 93 | L | 94.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 57.8 Ų | 57.8 | 19% | 0.194 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -53.2 | -175 | -61.4 | -178.2 | 0 | 0 | 0 | 113 | H43 I91 Q118 F120 L172 P173 | H43-L93 VanDerWaalsContact CE1-CD2 3.43Å; H43-L93 WeakPolarHBondContact CE1-CD2 3.24Å; I91-L93 HydrophobicContact CG2-CD2 4.16Å; I91-L93 PolarHBondContact O-N 2.67Å; L93-Q118 HydrophobicContact CD1-CG 4.48Å; L93-Q118 PolarHBondContact N-O 3.21Å; L93-F120 HydrophobicContact CD1-CB 3.97Å; L93-F120 HydrophobicContact CD2-CB 3.92Å; L93-F120 HydrophobicContact CG-CB 3.98Å; L93-L172 VanDerWaalsContact O-CB 3.27Å; L93-L172 WeakPolarHBondContact O-CB 3.48Å; L93-P173 HydrophobicContact CD2-CB 4.19Å |
| 94 | N | 93.9 | Very high | 93 | Very high | 94 Ų | 94 | 53 Ų | 53 | 50% | 0.503 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 156.8 | -176.3 | -70.9 | -43.6 | 0 | 0 | 0 | 109.1 | F117 Q118 | N94-F117 CarbonylContact O-C 3.6Å; N94-F117 WeakPolarHBondContact O-CA 3.48Å; N94-Q118 HydrophobicContact CB-CB 4.08Å; N94-Q118 PolarHBondContact ND2-OE1 3.35Å; N94-Q118 PolarHBondContact O-N 3.23Å |
| 95 | R | 94.9 | Very high | 92.5 | Very high | 71 Ų | 71 | 54 Ų | 54 | 27% | 0.268 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 124.1 | 178.2 | 178.4 | 179.1 | 55.9 | -124.3 | -8.4 | 109.5 | M115 N116 F117 L167 T168 V170 L172 | R95-M115 HydrophobicContact CG-CB 4.3Å; R95-M115 HydrophobicContact CG-CG 4.4Å; R95-N116 CarbonylContact C-O 3.48Å; R95-N116 WeakPolarHBondContact CA-O 3.03Å; R95-F117 HydrophobicContact CB-CD1 3.79Å; R95-F117 HydrophobicContact CB-CE1 3.71Å; R95-F117 HydrophobicContact CB-CZ 4.45Å; R95-F117 VanDerWaalsContact CD-CE1 3.5Å; R95-F117 HydrophobicContact CG-CD1 4.07Å; R95-F117 HydrophobicContact CG-CE1 3.67Å; R95-F117 HydrophobicContact CG-CE2 4.49Å; R95-F117 HydrophobicContact CG-CZ 3.91Å; R95-L167 PolarHBondContact NH1-O 2.99Å; R95-T168 PolarHBondContact NH1-O 3.03Å; R95-T168 PolarHBondContact NH2-O 3.01Å; R95-T168 VanDerWaalsContact NH2-O 3.12Å; R95-V170 PolarHBondContact NH1-O 3.46Å; R95-L172 HydrophobicContact CB-CD1 3.81Å |
| 96 | A | 94.9 | Very high | 91.9 | Very high | 58 Ų | 58 | 59 Ų | 59 | 48% | 0.479 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | M115 N116 | A96-M115 WeakPolarHBondContact O-CA 3.2Å; A96-N116 PolarHBondContact N-O 2.88Å; A96-N116 PolarHBondContact O-N 3.12Å |
| 97 | R | 93.3 | Very high | 91.3 | Very high | 138 Ų | 138 | 65.9 Ų | 65.9 | 52% | 0.521 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.5 | 174.7 | -64.4 | -163 | -171 | 151.6 | 12.2 | 110.4 | C114 M115 T168 | R97-C114 VanDerWaalsContact CA-O 3.31Å; R97-C114 WeakPolarHBondContact CA-O 3.32Å; R97-M115 HydrophobicContact CG-CG 4.12Å; R97-T168 PolarHBondContact NH2-O 2.81Å |
| 98 | F | 94.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 156.5 | 177.6 | 58.9 | -79.2 | 0 | 0 | 0 | 109.3 | E100 C114 N116 | F98-E100 HydrophobicContact CD2-CB 4.18Å; F98-E100 HydrophobicContact CE2-CB 4.07Å; F98-E100 WeakPolarHBondContact CE2-OE2 3.43Å; F98-C114 HydrophobicContact CD1-CB 4.16Å; F98-C114 HydrophobicContact CD2-CB 3.81Å; F98-C114 HydrophobicContact CE1-CB 3.75Å; F98-C114 HydrophobicContact CE2-CB 3.4Å; F98-C114 HydrophobicContact CG-CB 4.18Å; F98-C114 HydrophobicContact CZ-CB 3.37Å; F98-C114 PolarHBondContact N-O 3.32Å; F98-C114 WeakPolarHBondContact O-CA 3.32Å; F98-C114 WeakPolarHBondContact O-CB 2.92Å; F98-C114 PolarHBondContact O-N 2.88Å; F98-N116 HydrophobicContact CE1-CB 3.75Å; F98-N116 HydrophobicContact CZ-CB 4.44Å |
| 99 | D | 92.7 | Very high | 90.2 | Very high | 120 Ų | 120 | 74.6 Ų | 74.6 | 64% | 0.642 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 135.9 | 171.9 | -66.6 | -47.4 | 0 | 0 | 0 | 109.5 | T111 F112 | D99-T111 HydrophobicContact CB-CG2 3.84Å; D99-F112 VanDerWaalsContact CA-O 3.3Å; D99-F112 WeakPolarHBondContact CA-O 3.4Å |
| 100 | E | 91.9 | Very high | 89.8 | Confident | 71 Ų | 71 | 75.1 Ų | 75.1 | 33% | 0.332 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.5 | 176.8 | -159.8 | -175.1 | 135.9 | 0 | 0 | 112.2 | F98 R102 F112 | F98-E100 HydrophobicContact CD2-CB 4.18Å; F98-E100 HydrophobicContact CE2-CB 4.07Å; F98-E100 WeakPolarHBondContact CE2-OE2 3.43Å; E100-R102 VanDerWaalsContact CD-NH2 3.35Å; E100-R102 HydrophobicContact CG-CG 4.28Å; E100-R102 PolarHBondContact O-N 2.69Å; E100-R102 IonicContact OE1-CZ 3.53Å; E100-R102 IonicContact OE1-NE 3.6Å; E100-R102 PolarHBondContact OE1-NE 3.34Å; E100-R102 IonicContact OE1-NH2 2.64Å; E100-R102 PolarHBondContact OE1-NH2 3.14Å; E100-R102 IonicContact OE2-CZ 2.68Å; E100-R102 IonicContact OE2-NE 3.37Å; E100-R102 PolarHBondContact OE2-NE 2.02Å; E100-R102 IonicContact OE2-NH2 2.97Å; E100-R102 PolarHBondContact OE2-NH2 3.02Å; E100-F112 PolarHBondContact N-O 3.43Å; E100-F112 PolarHBondContact O-N 2.85Å |
| 101 | R | 91.6 | Very high | 89.4 | Confident | 163 Ų | 163 | 78.9 Ų | 78.9 | 62% | 0.615 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 108.9 | 178.3 | -163.9 | 175.7 | -178.1 | -173.5 | -4 | 109.9 | W109 T110 | R101-W109 HydrophobicContact CG-CB 4.35Å; R101-W109 HydrophobicContact CG-CE3 3.96Å; R101-W109 WeakPolarHBondContact O-CZ3 2.99Å; R101-T110 WeakPolarHBondContact CA-O 3.4Å |
| 102 | R | 90.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 78.9 Ų | 78.9 | 18% | 0.177 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 164 | 178.4 | -60.5 | -175.7 | 177.9 | 175.6 | 8.5 | 111.1 | E100 G104 T110 F112 E129 F150 | E100-R102 VanDerWaalsContact CD-NH2 3.35Å; E100-R102 HydrophobicContact CG-CG 4.28Å; E100-R102 PolarHBondContact O-N 2.69Å; E100-R102 IonicContact OE1-CZ 3.53Å; E100-R102 IonicContact OE1-NE 3.6Å; E100-R102 PolarHBondContact OE1-NE 3.34Å; E100-R102 IonicContact OE1-NH2 2.64Å; E100-R102 PolarHBondContact OE1-NH2 3.14Å; E100-R102 IonicContact OE2-CZ 2.68Å; E100-R102 IonicContact OE2-NE 3.37Å; E100-R102 PolarHBondContact OE2-NE 2.02Å; E100-R102 IonicContact OE2-NH2 2.97Å; E100-R102 PolarHBondContact OE2-NH2 3.02Å; R102-G104 PolarHBondContact O-N 2.88Å; R102-T110 PolarHBondContact N-O 3.34Å; R102-T110 PolarHBondContact O-N 3.34Å; R102-T110 VanDerWaalsContact O-O 3.1Å; R102-F112 HydrophobicContact CB-CD2 3.8Å; R102-F112 HydrophobicContact CB-CE2 3.83Å; R102-F112 HydrophobicContact CG-CD2 4.39Å; R102-E129 IonicContact CZ-OE1 3.38Å; R102-E129 IonicContact CZ-OE2 3.42Å; R102-E129 IonicContact NH1-OE1 2.84Å; R102-E129 IonicContact NH1-OE2 2.69Å; R102-E129 PolarHBondContact NH1-OE2 2.94Å; R102-E129 VanDerWaalsContact NH2-CD 3.27Å; R102-E129 IonicContact NH2-OE1 3.35Å; R102-E129 PolarHBondContact NH2-OE1 3.1Å; R102-E129 IonicContact NH2-OE2 3.53Å; R102-E129 PolarHBondContact NH2-OE2 2.86Å; R102-E129 VanDerWaalsContact NH2-OE2 3.11Å; R102-F150 HydrophobicContact CB-CE2 3.88Å; R102-F150 HydrophobicContact CB-CZ 4.24Å |
| 103 | R | 86.4 | Confident | 88.8 | Confident | 150 Ų | 150 | 81.9 Ų | 81.9 | 57% | 0.566 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 110.1 | 170.1 | -73.3 | -172.2 | -179.8 | -174.6 | 0.6 | 109 | S108 W109 F150 | R103-S108 CarbonylContact C-O 3.57Å; R103-S108 WeakPolarHBondContact CA-O 3.24Å; R103-W109 HydrophobicContact CG-CD2 4.37Å; R103-W109 HydrophobicContact CG-CE3 4.32Å; R103-W109 HydrophobicContact CG-CH2 4.35Å; R103-W109 HydrophobicContact CG-CZ2 4.35Å; R103-W109 HydrophobicContact CG-CZ3 4.33Å; R103-F150 WeakPolarHBondContact O-CZ 3.28Å |
| 104 | G | 82.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 80.1 Ų | 80.1 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | trans | -88.5 | -146.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R102 H107 S108 | R102-G104 PolarHBondContact O-N 2.88Å; G104-H107 PolarHBondContact O-N 3.2Å; G104-S108 PolarHBondContact N-O 3.21Å | ||
| 105 | Q | 78.7 | Confident | 88.7 | Confident | 33 Ų | 33 | 75.8 Ų | 75.8 | 15% | 0.154 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -58.7 | 142.4 | 177.2 | -64 | -176.7 | -20.7 | 0 | 0 | 111.6 | H107 S108 W145 H146 Y148 | Q105-H107 PolarHBondContact O-N 3.17Å; Q105-H107 VanDerWaalsContact O-N 3.15Å; Q105-S108 PolarHBondContact O-N 3.18Å; Q105-S108 VanDerWaalsContact O-N 3.12Å; Q105-S108 PolarHBondContact O-OG 2.93Å; Q105-S108 VanDerWaalsContact O-OG 3.11Å; Q105-W145 HydrophobicContact CB-CE3 3.92Å; Q105-W145 HydrophobicContact CB-CZ3 3.66Å; Q105-W145 WeakPolarHBondContact O-CZ3 3.4Å; Q105-H146 PolarHBondContact NE2-O 2.79Å; Q105-H146 VanDerWaalsContact NE2-O 3.09Å; Q105-H146 PolarHBondContact OE1-O 3.3Å; Q105-Y148 HydrophobicContact CB-CD2 4.37Å; Q105-Y148 HydrophobicContact CG-CD2 3.14Å; Q105-Y148 HydrophobicContact CG-CE2 3.62Å; Q105-Y148 HydrophobicContact CG-CG 3.75Å |
| 106 | R | 81.1 | Confident | 88.7 | Confident | 179 Ų | 179 | 74.9 Ų | 74.9 | 68% | 0.675 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | 55.5 | 29.5 | 179 | -51.6 | -178.1 | -176.5 | 172.8 | 9 | 113.3 | S108 G143 | R106-S108 PolarHBondContact O-N 2.88Å; R106-S108 VanDerWaalsContact O-N 3.11Å; R106-G143 PolarHBondContact NH2-O 3.3Å |
| 107 | H | 81.7 | Confident | 88.8 | Confident | 146 Ų | 146 | 72.1 Ų | 72.1 | 68% | 0.676 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | 59.3 | 17 | -177.3 | -52.4 | -66.8 | 0 | 0 | 0 | 114.9 | G104 Q105 | G104-H107 PolarHBondContact O-N 3.2Å; Q105-H107 PolarHBondContact O-N 3.17Å; Q105-H107 VanDerWaalsContact O-N 3.15Å |
| 108 | S | 83 | Confident | 88.9 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 25% | 0.252 | 32% | 0.318 | S | S | . | . | trans | -71.4 | 142.9 | 175.2 | 74.7 | 0 | 0 | 0 | 0 | 110.4 | R103 G104 Q105 R106 T110 W145 | R103-S108 CarbonylContact C-O 3.57Å; R103-S108 WeakPolarHBondContact CA-O 3.24Å; G104-S108 PolarHBondContact N-O 3.21Å; Q105-S108 PolarHBondContact O-N 3.18Å; Q105-S108 VanDerWaalsContact O-N 3.12Å; Q105-S108 PolarHBondContact O-OG 2.93Å; Q105-S108 VanDerWaalsContact O-OG 3.11Å; R106-S108 PolarHBondContact O-N 2.88Å; R106-S108 VanDerWaalsContact O-N 3.11Å; S108-T110 PolarHBondContact O-N 3.4Å; S108-T110 PolarHBondContact OG-OG1 3.08Å; S108-W145 WeakPolarHBondContact OG-CH2 3.43Å; S108-W145 WeakPolarHBondContact OG-CZ3 3.35Å | ||
| 109 | W | 86.2 | Confident | 89 | Confident | 149 Ų | 149 | 68.3 Ų | 68.3 | 56% | 0.564 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.3 | 171 | -74.6 | 108.1 | 0 | 0 | 0 | 110.1 | R101 R103 | R101-W109 HydrophobicContact CG-CB 4.35Å; R101-W109 HydrophobicContact CG-CE3 3.96Å; R101-W109 WeakPolarHBondContact O-CZ3 2.99Å; R103-W109 HydrophobicContact CG-CD2 4.37Å; R103-W109 HydrophobicContact CG-CE3 4.32Å; R103-W109 HydrophobicContact CG-CH2 4.35Å; R103-W109 HydrophobicContact CG-CZ2 4.35Å; R103-W109 HydrophobicContact CG-CZ3 4.33Å |
| 110 | T | 87 | Confident | 89.1 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 7% | 0.067 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.4 | -176.5 | -59.9 | 0 | 0 | 0 | 0 | 109.2 | R101 R102 S108 F112 W133 | R101-T110 WeakPolarHBondContact CA-O 3.4Å; R102-T110 PolarHBondContact N-O 3.34Å; R102-T110 PolarHBondContact O-N 3.34Å; R102-T110 VanDerWaalsContact O-O 3.1Å; S108-T110 PolarHBondContact O-N 3.4Å; S108-T110 PolarHBondContact OG-OG1 3.08Å; T110-F112 HydrophobicContact CG2-CD2 4.44Å; T110-F112 HydrophobicContact CG2-CE2 3.95Å; T110-F112 HydrophobicContact CG2-CZ 4.03Å; T110-F112 VanDerWaalsContact O-CD2 3.22Å; T110-F112 WeakPolarHBondContact O-CD2 2.99Å; T110-F112 WeakPolarHBondContact O-CE2 3.49Å; T110-W133 HydrophobicContact CG2-CB 4.02Å; T110-W133 HydrophobicContact CG2-CD2 3.83Å; T110-W133 HydrophobicContact CG2-CG 3.41Å; T110-W133 VanDerWaalsContact CG2-CG 3.41Å |
| 111 | T | 88.1 | Confident | 89.1 | Confident | 81 Ų | 81 | 61.6 Ų | 61.6 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 120 | 171.4 | -53.2 | 0 | 0 | 0 | 0 | 108.7 | D99 | D99-T111 HydrophobicContact CB-CG2 3.84Å |
| 112 | F | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 139.4 | 178.3 | -70.6 | -92.4 | 0 | 0 | 0 | 110.3 | D99 E100 R102 T110 C114 C131 W133 Y148 F150 | D99-F112 VanDerWaalsContact CA-O 3.3Å; D99-F112 WeakPolarHBondContact CA-O 3.4Å; E100-F112 PolarHBondContact N-O 3.43Å; E100-F112 PolarHBondContact O-N 2.85Å; R102-F112 HydrophobicContact CB-CD2 3.8Å; R102-F112 HydrophobicContact CB-CE2 3.83Å; R102-F112 HydrophobicContact CG-CD2 4.39Å; T110-F112 HydrophobicContact CG2-CD2 4.44Å; T110-F112 HydrophobicContact CG2-CE2 3.95Å; T110-F112 HydrophobicContact CG2-CZ 4.03Å; T110-F112 VanDerWaalsContact O-CD2 3.22Å; T110-F112 WeakPolarHBondContact O-CD2 2.99Å; T110-F112 WeakPolarHBondContact O-CE2 3.49Å; F112-C114 PolarHBondContact O-N 3.36Å; F112-C131 HydrophobicContact CB-CB 3.97Å; F112-C131 HydrophobicContact CD1-CB 4.35Å; F112-C131 HydrophobicContact CG-CB 4.37Å; F112-W133 HydrophobicContact CD1-CB 3.65Å; F112-W133 HydrophobicContact CE1-CB 3.52Å; F112-W133 HydrophobicContact CG-CB 4.45Å; F112-W133 HydrophobicContact CZ-CB 4.26Å; F112-Y148 AromaticContact CE1-CD1 3.63Å; F112-Y148 HydrophobicContact CE1-CD1 3.63Å; F112-Y148 HydrophobicContact CE1-CG 4.45Å; F112-Y148 AromaticContact CZ-CD1 3.52Å; F112-Y148 HydrophobicContact CZ-CD1 3.52Å; F112-Y148 HydrophobicContact CZ-CE1 4.16Å; F112-Y148 HydrophobicContact CZ-CG 4.5Å; F112-F150 HydrophobicContact CD1-CD2 4.15Å; F112-F150 HydrophobicContact CD1-CE2 4.25Å; F112-F150 HydrophobicContact CD2-CE2 4.14Å; F112-F150 HydrophobicContact CE1-CD2 4.06Å; F112-F150 AromaticContact CE1-CE2 3.85Å; F112-F150 HydrophobicContact CE1-CE2 3.85Å; F112-F150 HydrophobicContact CE2-CD2 4.5Å; F112-F150 AromaticContact CE2-CE2 3.71Å; F112-F150 HydrophobicContact CE2-CE2 3.71Å; F112-F150 HydrophobicContact CG-CD2 4.45Å; F112-F150 HydrophobicContact CG-CE2 4.41Å; F112-F150 HydrophobicContact CZ-CD2 4.25Å; F112-F150 AromaticContact CZ-CE2 3.57Å; F112-F150 HydrophobicContact CZ-CE2 3.57Å; F112-F150 HydrophobicContact CZ-CZ 4.49Å |
| 113 | D | 89.2 | Confident | 88.6 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 34% | 0.342 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 112.1 | 164.7 | 179 | 2.9 | 0 | 0 | 0 | 107.5 | C131 S132 | D113-C131 WeakPolarHBondContact O-CA 3.48Å; D113-S132 PolarHBondContact N-O 2.89Å; D113-S132 PolarHBondContact O-N 3.15Å |
| 114 | C | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 143.1 | -173.7 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | R97 F98 F112 H130 C131 | R97-C114 VanDerWaalsContact CA-O 3.31Å; R97-C114 WeakPolarHBondContact CA-O 3.32Å; F98-C114 HydrophobicContact CD1-CB 4.16Å; F98-C114 HydrophobicContact CD2-CB 3.81Å; F98-C114 HydrophobicContact CE1-CB 3.75Å; F98-C114 HydrophobicContact CE2-CB 3.4Å; F98-C114 HydrophobicContact CG-CB 4.18Å; F98-C114 HydrophobicContact CZ-CB 3.37Å; F98-C114 PolarHBondContact N-O 3.32Å; F98-C114 WeakPolarHBondContact O-CA 3.32Å; F98-C114 WeakPolarHBondContact O-CB 2.92Å; F98-C114 PolarHBondContact O-N 2.88Å; F112-C114 PolarHBondContact O-N 3.36Å; C114-H130 CarbonylContact C-O 3.58Å; C114-H130 WeakPolarHBondContact CA-O 3.2Å; C114-C131 HydrophobicContact CB-CB 4.11Å; C114-C131 WeakPolarHBondContact CB-SG 3.06Å; C114-C131 WeakPolarHBondContact SG-CB 3.41Å; C114-C131 CovalentContact SG-SG 2.04Å; C114-C131 PolarHBondContact SG-SG 3.17Å |
| 115 | M | 93.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121 | 172.9 | -67.6 | -176.6 | -72.8 | 0 | 0 | 108.1 | R95 A96 R97 F117 E129 H130 L167 | R95-M115 HydrophobicContact CG-CB 4.3Å; R95-M115 HydrophobicContact CG-CG 4.4Å; A96-M115 WeakPolarHBondContact O-CA 3.2Å; R97-M115 HydrophobicContact CG-CG 4.12Å; M115-F117 HydrophobicContact CB-CD2 4.45Å; M115-F117 HydrophobicContact CB-CE2 3.77Å; M115-F117 HydrophobicContact CB-CZ 4.29Å; M115-F117 HydrophobicContact SD-CZ 4.41Å; M115-E129 WeakPolarHBondContact O-CA 3.49Å; M115-H130 WeakPolarHBondContact CE-ND1 3.33Å; M115-H130 PolarHBondContact N-O 3.4Å; M115-H130 PolarHBondContact O-N 2.77Å; M115-L167 HydrophobicContact CE-CB 3.75Å; M115-L167 HydrophobicContact CE-CD1 4.45Å; M115-L167 HydrophobicContact SD-CB 4.48Å |
| 116 | N | 95.2 | Very high | 89.5 | Confident | 51 Ų | 51 | 57.4 Ų | 57.4 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.6 | 168.7 | -175.3 | -27 | 0 | 0 | 0 | 108.8 | R95 A96 F98 S127 | R95-N116 CarbonylContact C-O 3.48Å; R95-N116 WeakPolarHBondContact CA-O 3.03Å; A96-N116 PolarHBondContact N-O 2.88Å; A96-N116 PolarHBondContact O-N 3.12Å; F98-N116 HydrophobicContact CE1-CB 3.75Å; F98-N116 HydrophobicContact CZ-CB 4.44Å; N116-S127 VanDerWaalsContact OD1-CB 3.28Å; N116-S127 WeakPolarHBondContact OD1-CB 3.31Å |
| 117 | F | 96 | Very high | 90 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.7 | 177.2 | -63.5 | -94.2 | 0 | 0 | 0 | 111 | L92 N94 R95 M115 T119 S127 V128 L155 L167 L172 | L92-F117 HydrophobicContact CB-CB 4.31Å; L92-F117 HydrophobicContact CB-CD1 3.9Å; L92-F117 HydrophobicContact CB-CG 4.39Å; L92-F117 HydrophobicContact CD1-CD1 3.87Å; L92-F117 HydrophobicContact CD1-CE1 4.05Å; L92-F117 HydrophobicContact CD1-CG 4.13Å; L92-F117 HydrophobicContact CD2-CB 3.9Å; L92-F117 HydrophobicContact CD2-CG 4.28Å; L92-F117 HydrophobicContact CG-CB 4.5Å; L92-F117 HydrophobicContact CG-CD1 4.33Å; L92-F117 HydrophobicContact CG-CG 4.5Å; N94-F117 CarbonylContact O-C 3.6Å; N94-F117 WeakPolarHBondContact O-CA 3.48Å; R95-F117 HydrophobicContact CB-CD1 3.79Å; R95-F117 HydrophobicContact CB-CE1 3.71Å; R95-F117 HydrophobicContact CB-CZ 4.45Å; R95-F117 VanDerWaalsContact CD-CE1 3.5Å; R95-F117 HydrophobicContact CG-CD1 4.07Å; R95-F117 HydrophobicContact CG-CE1 3.67Å; R95-F117 HydrophobicContact CG-CE2 4.49Å; R95-F117 HydrophobicContact CG-CZ 3.91Å; M115-F117 HydrophobicContact CB-CD2 4.45Å; M115-F117 HydrophobicContact CB-CE2 3.77Å; M115-F117 HydrophobicContact CB-CZ 4.29Å; M115-F117 HydrophobicContact SD-CZ 4.41Å; F117-T119 PolarHBondContact O-N 2.88Å; F117-S127 WeakPolarHBondContact O-CA 3.47Å; F117-S127 WeakPolarHBondContact O-CB 3.46Å; F117-V128 HydrophobicContact CB-CB 4.27Å; F117-V128 HydrophobicContact CD2-CG1 4.47Å; F117-V128 PolarHBondContact N-O 2.85Å; F117-V128 PolarHBondContact O-N 3.47Å; F117-L155 HydrophobicContact CE2-CD1 4.49Å; F117-L167 HydrophobicContact CE2-CD2 4.37Å; F117-L167 HydrophobicContact CZ-CB 4.26Å; F117-L167 HydrophobicContact CZ-CD2 4.13Å; F117-L172 HydrophobicContact CE1-CD2 4.47Å |
| 118 | Q | 95.4 | Very high | 90.6 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 132.5 | 164.3 | -173.6 | -179.1 | 8.6 | 0 | 0 | 108.7 | L93 N94 | L93-Q118 HydrophobicContact CD1-CG 4.48Å; L93-Q118 PolarHBondContact N-O 3.21Å; N94-Q118 HydrophobicContact CB-CB 4.08Å; N94-Q118 PolarHBondContact ND2-OE1 3.35Å; N94-Q118 PolarHBondContact O-N 3.23Å |
| 119 | T | 95.7 | Very high | 91.1 | Very high | 21 Ų | 21 | 45.6 Ų | 45.6 | 13% | 0.129 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 144.3 | -176.7 | 46.4 | 0 | 0 | 0 | 0 | 112.5 | K90 I91 L92 F117 C125 P126 V128 | K90-T119 HydrophobicContact CG-CG2 4.24Å; I91-T119 CarbonylContact O-C 3.24Å; I91-T119 VanDerWaalsContact O-CA 3.23Å; I91-T119 WeakPolarHBondContact O-CA 3.07Å; L92-T119 HydrophobicContact CD2-CG2 4Å; F117-T119 PolarHBondContact O-N 2.88Å; T119-C125 PolarHBondContact OG1-O 2.7Å; T119-C125 PolarHBondContact OG1-SG 2.02Å; T119-C125 VanDerWaalsContact OG1-SG 3.4Å; T119-P126 PolarHBondContact OG1-O 2.97Å; T119-V128 HydrophobicContact CG2-CB 4.16Å; T119-V128 HydrophobicContact CG2-CG2 3.67Å |
| 120 | F | 95.2 | Very high | 91.5 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 18% | 0.175 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 137.9 | 161.6 | 177.4 | -93.8 | 0 | 0 | 0 | 109.6 | H43 E47 L59 K90 I91 L93 | H43-F120 HydrophobicContact CB-CD1 3.76Å; H43-F120 HydrophobicContact CB-CE1 3.9Å; H43-F120 HydrophobicContact CB-CG 4.32Å; H43-F120 AromaticContact CD2-CD1 3.86Å; H43-F120 AromaticContact CD2-CD2 3.56Å; H43-F120 AromaticContact CD2-CE2 3.89Å; H43-F120 AromaticContact CD2-CG 3.54Å; E47-F120 HydrophobicContact CB-CZ 3.96Å; E47-F120 HydrophobicContact CG-CZ 4.15Å; L59-F120 HydrophobicContact CD2-CE1 4.26Å; K90-F120 WeakPolarHBondContact CA-O 3.44Å; I91-F120 HydrophobicContact CB-CB 4.32Å; I91-F120 PolarHBondContact N-O 3.26Å; I91-F120 VanDerWaalsContact N-O 3.08Å; I91-F120 PolarHBondContact O-N 2.91Å; L93-F120 HydrophobicContact CD1-CB 3.97Å; L93-F120 HydrophobicContact CD2-CB 3.92Å; L93-F120 HydrophobicContact CG-CB 3.98Å |
| 121 | C | 92.4 | Very high | 91.6 | Very high | 10 Ų | 10 | 38 Ų | 38 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | trans | -149.9 | 146 | 163.8 | -62.9 | 0 | 0 | 0 | 0 | 108.3 | L123 G124 C125 | C121-L123 PolarHBondContact O-N 3.3Å; C121-G124 PolarHBondContact O-N 3.14Å; C121-C125 HydrophobicContact CB-CB 3.64Å; C121-C125 WeakPolarHBondContact CB-SG 3.44Å; C121-C125 WeakPolarHBondContact SG-CB 3.44Å; C121-C125 CovalentContact SG-SG 2.02Å; C121-C125 PolarHBondContact SG-SG 2.87Å | ||
| 122 | G | 84.3 | Confident | 91.6 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 19% | 0.186 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -30.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E47 | E47-G122 WeakPolarHBondContact OE2-CA 3.05Š|
| 123 | L | 85.9 | Confident | 91.2 | Very high | 110 Ų | 110 | 36 Ų | 36 | 58% | 0.576 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 11.4 | 176.4 | -67 | 176.4 | 0 | 0 | 0 | 113.9 | H58 C121 | H58-L123 HydrophobicContact CB-CD2 4.47Å; H58-L123 HydrophobicContact CB-CG 4.3Å; C121-L123 PolarHBondContact O-N 3.3Å |
| 124 | G | 86.2 | Confident | 90.6 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 57% | 0.567 | 21% | 0.211 | S | C | * | . | trans | 78.2 | 148.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | C121 | C121-G124 PolarHBondContact O-N 3.14Š| ||
| 125 | C | 90 | Very high | 89.6 | Confident | 33 Ų | 33 | 37.7 Ų | 37.7 | 22% | 0.223 | 22% | 0.219 | C | C | . | . | trans | -156.8 | 155.3 | 178.4 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | T119 C121 | T119-C125 PolarHBondContact OG1-O 2.7Å; T119-C125 PolarHBondContact OG1-SG 2.02Å; T119-C125 VanDerWaalsContact OG1-SG 3.4Å; C121-C125 HydrophobicContact CB-CB 3.64Å; C121-C125 WeakPolarHBondContact CB-SG 3.44Å; C121-C125 WeakPolarHBondContact SG-CB 3.44Å; C121-C125 CovalentContact SG-SG 2.02Å; C121-C125 PolarHBondContact SG-SG 2.87Å | ||
| 126 | P | 90.4 | Very high | 88.7 | Confident | 93 Ų | 93 | 41.1 Ų | 41.1 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -66.8 | 152.2 | 178.8 | 28.5 | -35.3 | 0 | 0 | 0 | 111.4 | T119 | T119-P126 PolarHBondContact OG1-O 2.97Š|
| 127 | S | 92.9 | Very high | 87.6 | Confident | 61 Ų | 61 | 45.4 Ų | 45.4 | 43% | 0.427 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 152.2 | 172.3 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | N116 F117 | N116-S127 VanDerWaalsContact OD1-CB 3.28Å; N116-S127 WeakPolarHBondContact OD1-CB 3.31Å; F117-S127 WeakPolarHBondContact O-CA 3.47Å; F117-S127 WeakPolarHBondContact O-CB 3.46Å |
| 128 | V | 94.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.6 | -179.8 | 166.9 | 0 | 0 | 0 | 0 | 109.2 | K90 L92 F117 T119 F154 L155 | K90-V128 VanDerWaalsContact CE-CG2 3.5Å; L92-V128 HydrophobicContact CD2-CB 4.2Å; L92-V128 HydrophobicContact CD2-CG1 4.41Å; L92-V128 HydrophobicContact CD2-CG2 4.33Å; F117-V128 HydrophobicContact CB-CB 4.27Å; F117-V128 HydrophobicContact CD2-CG1 4.47Å; F117-V128 PolarHBondContact N-O 2.85Å; F117-V128 PolarHBondContact O-N 3.47Å; T119-V128 HydrophobicContact CG2-CB 4.16Å; T119-V128 HydrophobicContact CG2-CG2 3.67Å; V128-F154 HydrophobicContact CG1-CD1 4.32Å; V128-F154 HydrophobicContact CG2-CB 4.18Å; V128-F154 HydrophobicContact CG2-CD1 3.84Å; V128-F154 HydrophobicContact CG2-CG 4.28Å; V128-L155 HydrophobicContact CG1-CD1 3.33Å; V128-L155 HydrophobicContact CG1-CD2 4.3Å; V128-L155 HydrophobicContact CG1-CG 3.52Å |
| 129 | E | 93.5 | Very high | 84.9 | Confident | 52 Ų | 52 | 50.4 Ų | 50.4 | 24% | 0.243 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.9 | 177.6 | -173.1 | -179.6 | -118.8 | 0 | 0 | 111.6 | R102 M115 S152 | R102-E129 IonicContact CZ-OE1 3.38Å; R102-E129 IonicContact CZ-OE2 3.42Å; R102-E129 IonicContact NH1-OE1 2.84Å; R102-E129 IonicContact NH1-OE2 2.69Å; R102-E129 PolarHBondContact NH1-OE2 2.94Å; R102-E129 VanDerWaalsContact NH2-CD 3.27Å; R102-E129 IonicContact NH2-OE1 3.35Å; R102-E129 PolarHBondContact NH2-OE1 3.1Å; R102-E129 IonicContact NH2-OE2 3.53Å; R102-E129 PolarHBondContact NH2-OE2 2.86Å; R102-E129 VanDerWaalsContact NH2-OE2 3.11Å; M115-E129 WeakPolarHBondContact O-CA 3.49Å; E129-S152 PolarHBondContact O-N 2.9Å |
| 130 | H | 92.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 115.8 | 167.5 | 169.7 | -83.2 | 0 | 0 | 0 | 109.6 | C114 M115 F150 L155 L167 | C114-H130 CarbonylContact C-O 3.58Å; C114-H130 WeakPolarHBondContact CA-O 3.2Å; M115-H130 WeakPolarHBondContact CE-ND1 3.33Å; M115-H130 PolarHBondContact N-O 3.4Å; M115-H130 PolarHBondContact O-N 2.77Å; H130-F150 CarbonylContact C-O 3.57Å; H130-L155 HydrophobicContact CB-CD1 4.25Å; H130-L167 HydrophobicContact CB-CD1 4.29Å |
| 131 | C | 90.3 | Very high | 82.1 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.1 | 172.8 | -68.3 | 0 | 0 | 0 | 0 | 109.6 | F112 D113 C114 Y149 F150 | F112-C131 HydrophobicContact CB-CB 3.97Å; F112-C131 HydrophobicContact CD1-CB 4.35Å; F112-C131 HydrophobicContact CG-CB 4.37Å; D113-C131 WeakPolarHBondContact O-CA 3.48Å; C114-C131 HydrophobicContact CB-CB 4.11Å; C114-C131 WeakPolarHBondContact CB-SG 3.06Å; C114-C131 WeakPolarHBondContact SG-CB 3.41Å; C114-C131 CovalentContact SG-SG 2.04Å; C114-C131 PolarHBondContact SG-SG 3.17Å; C131-Y149 CarbonylContact O-C 3.54Å; C131-Y149 WeakPolarHBondContact O-CA 3.38Å; C131-Y149 WeakPolarHBondContact O-CB 3.45Å; C131-F150 HydrophobicContact CB-CB 4.15Å; C131-F150 HydrophobicContact CB-CD2 4.21Å; C131-F150 PolarHBondContact N-O 3.49Å; C131-F150 PolarHBondContact O-N 3.31Å |
| 132 | S | 87.2 | Confident | 81.2 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.9 | 179.6 | 59.4 | 0 | 0 | 0 | 0 | 112 | D113 Y134 | D113-S132 PolarHBondContact N-O 2.89Å; D113-S132 PolarHBondContact O-N 3.15Å; S132-Y134 VanDerWaalsContact OG-CE2 3.29Å; S132-Y134 WeakPolarHBondContact OG-CE2 3.11Å |
| 133 | W | 81.9 | Confident | 80.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 12% | 0.121 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 119 | 168.6 | 179 | 85.4 | 0 | 0 | 0 | 108.1 | T110 F112 K139 W145 H146 N147 Y148 | T110-W133 HydrophobicContact CG2-CB 4.02Å; T110-W133 HydrophobicContact CG2-CD2 3.83Å; T110-W133 HydrophobicContact CG2-CG 3.41Å; T110-W133 VanDerWaalsContact CG2-CG 3.41Å; F112-W133 HydrophobicContact CD1-CB 3.65Å; F112-W133 HydrophobicContact CE1-CB 3.52Å; F112-W133 HydrophobicContact CG-CB 4.45Å; F112-W133 HydrophobicContact CZ-CB 4.26Å; W133-K139 HydrophobicContact CH2-CD 3.84Å; W133-K139 HydrophobicContact CZ2-CD 3.52Å; W133-W145 HydrophobicContact CH2-CB 3.81Å; W133-W145 HydrophobicContact CH2-CD2 4.15Å; W133-W145 AromaticContact CH2-CE3 3.92Å; W133-W145 HydrophobicContact CH2-CE3 3.92Å; W133-W145 HydrophobicContact CH2-CG 4.11Å; W133-W145 HydrophobicContact CZ3-CB 4.04Å; W133-W145 HydrophobicContact CZ3-CE3 4.15Å; W133-H146 WeakPolarHBondContact CZ3-O 3.18Å; W133-N147 WeakPolarHBondContact O-CA 3.19Å; W133-Y148 PolarHBondContact N-O 3.02Å; W133-Y148 PolarHBondContact O-N 2.94Å |
| 134 | Y | 77.3 | Confident | 79.8 | Confident | 71 Ų | 71 | 70.4 Ų | 70.4 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 131.8 | 179 | -59.5 | -80.1 | 0 | 0 | 0 | 110.1 | S132 N147 K161 Q164 | S132-Y134 VanDerWaalsContact OG-CE2 3.29Å; S132-Y134 WeakPolarHBondContact OG-CE2 3.11Å; Y134-N147 WeakPolarHBondContact CA-OD1 3.44Å; Y134-K161 HydrophobicContact CE1-CG 4.18Å; Y134-Q164 WeakPolarHBondContact OH-CB 3.04Å; Y134-Q164 PolarHBondContact OH-OE1 2.82Å |
| 135 | T | 71.2 | Confident | 79 | Confident | 30 Ų | 30 | 70.4 Ų | 70.4 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 140 | 170.8 | -158.7 | 0 | 0 | 0 | 0 | 108.8 | K139 W140 W145 N147 | T135-K139 WeakPolarHBondContact OG1-CB 3.46Å; T135-W140 HydrophobicContact CG2-CB 4.2Å; T135-W145 WeakPolarHBondContact CB-O 3.31Å; T135-W145 WeakPolarHBondContact CG2-O 3.06Å; T135-W145 WeakPolarHBondContact OG1-CB 3.38Å; T135-W145 PolarHBondContact OG1-O 3.02Å; T135-W145 VanDerWaalsContact OG1-O 3.07Å; T135-N147 PolarHBondContact N-OD1 3.12Å |
| 136 | T | 73.5 | Confident | 78.4 | Confident | 75 Ų | 75 | 74.2 Ų | 74.2 | 46% | 0.46 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 158.6 | 168 | 56.9 | 0 | 0 | 0 | 0 | 109.4 | L138 K139 W140 | T136-L138 PolarHBondContact O-N 3.27Å; T136-L138 VanDerWaalsContact O-N 3.11Å; T136-K139 PolarHBondContact O-N 2.84Å; T136-W140 PolarHBondContact O-N 3.27Å |
| 137 | D | 73.4 | Confident | 77.8 | Confident | 141 Ų | 141 | 72.8 Ų | 72.8 | 75% | 0.754 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -53.6 | -36.6 | -179.9 | -60.4 | -26.9 | 0 | 0 | 0 | 112 | W140 T141 | D137-W140 PolarHBondContact O-N 3.2Å; D137-T141 VanDerWaalsContact O-CB 3.32Å; D137-T141 WeakPolarHBondContact O-CB 3.39Å; D137-T141 PolarHBondContact O-N 3.15Å; D137-T141 PolarHBondContact O-OG1 3.37Å |
| 138 | L | 71.5 | Confident | 77.2 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 63% | 0.628 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.2 | -47.8 | 174.1 | -162.9 | 80.8 | 0 | 0 | 0 | 112.1 | T136 T141 F142 | T136-L138 PolarHBondContact O-N 3.27Å; T136-L138 VanDerWaalsContact O-N 3.11Å; L138-T141 PolarHBondContact O-N 2.73Å; L138-F142 HydrophobicContact CD1-CD2 3.89Å; L138-F142 HydrophobicContact CD1-CE2 3.66Å; L138-F142 HydrophobicContact CG-CD2 4.02Å; L138-F142 HydrophobicContact CG-CE2 4.32Å; L138-F142 VanDerWaalsContact O-CD2 3.27Å; L138-F142 WeakPolarHBondContact O-CD2 3.31Å; L138-F142 PolarHBondContact O-N 3.25Å |
| 139 | K | 63.3 | Low | 76.7 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -70.5 | -34.9 | -179.8 | -69.1 | -175.8 | -175.6 | 176 | 0 | 112.4 | W133 T135 T136 G143 R144 W145 | W133-K139 HydrophobicContact CH2-CD 3.84Å; W133-K139 HydrophobicContact CZ2-CD 3.52Å; T135-K139 WeakPolarHBondContact OG1-CB 3.46Å; T136-K139 PolarHBondContact O-N 2.84Å; K139-G143 WeakPolarHBondContact O-CA 3.5Å; K139-G143 PolarHBondContact O-N 3.41Å; K139-R144 PolarHBondContact O-N 3.09Å; K139-W145 HydrophobicContact CB-CB 4.41Å |
| 140 | W | 61.6 | Low | 76.3 | Confident | 147 Ų | 147 | 78.3 Ų | 78.3 | 56% | 0.557 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64 | -48.8 | 173.1 | -174.5 | 82.3 | 0 | 0 | 0 | 111.1 | T135 T136 D137 R144 | T135-W140 HydrophobicContact CG2-CB 4.2Å; T136-W140 PolarHBondContact O-N 3.27Å; D137-W140 PolarHBondContact O-N 3.2Å; W140-R144 WeakPolarHBondContact O-CA 3.27Å; W140-R144 PolarHBondContact O-N 3.23Å |
| 141 | T | 70.7 | Confident | 76.2 | Confident | 85 Ų | 85 | 80.1 Ų | 80.1 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -45 | -176.3 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | D137 L138 | D137-T141 VanDerWaalsContact O-CB 3.32Å; D137-T141 WeakPolarHBondContact O-CB 3.39Å; D137-T141 PolarHBondContact O-N 3.15Å; D137-T141 PolarHBondContact O-OG1 3.37Å; L138-T141 PolarHBondContact O-N 2.73Å |
| 142 | F | 72 | Confident | 76.2 | Confident | 170 Ų | 170 | 81.8 Ų | 81.8 | 75% | 0.746 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -94 | -19.7 | -173 | -68.7 | -72.7 | 0 | 0 | 0 | 114.7 | L138 | L138-F142 HydrophobicContact CD1-CD2 3.89Å; L138-F142 HydrophobicContact CD1-CE2 3.66Å; L138-F142 HydrophobicContact CG-CD2 4.02Å; L138-F142 HydrophobicContact CG-CE2 4.32Å; L138-F142 VanDerWaalsContact O-CD2 3.27Å; L138-F142 WeakPolarHBondContact O-CD2 3.31Å; L138-F142 PolarHBondContact O-N 3.25Å |
| 143 | G | 69.3 | Low | 76.4 | Confident | 21 Ų | 21 | 86 Ų | 86 | 22% | 0.216 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -127.2 | -4.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R106 K139 W145 | R106-G143 PolarHBondContact NH2-O 3.3Å; K139-G143 WeakPolarHBondContact O-CA 3.5Å; K139-G143 PolarHBondContact O-N 3.41Å; G143-W145 PolarHBondContact O-N 3.01Å |
| 144 | R | 71.9 | Confident | 76.9 | Confident | 195 Ų | 195 | 84.5 Ų | 84.5 | 74% | 0.736 | 40% | 0.401 | S | S | * | . | trans | 52.1 | 40 | -171.6 | -58.3 | -176.5 | 179.4 | -174.5 | -0.4 | 112.4 | K139 W140 | K139-R144 PolarHBondContact O-N 3.09Å; W140-R144 WeakPolarHBondContact O-CA 3.27Å; W140-R144 PolarHBondContact O-N 3.23Å | ||
| 145 | W | 69.7 | Low | 77.7 | Confident | 56 Ų | 56 | 81.1 Ų | 81.1 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 135.8 | 174.6 | -68.9 | 82 | 0 | 0 | 0 | 110 | Q105 S108 W133 T135 K139 G143 | Q105-W145 HydrophobicContact CB-CE3 3.92Å; Q105-W145 HydrophobicContact CB-CZ3 3.66Å; Q105-W145 WeakPolarHBondContact O-CZ3 3.4Å; S108-W145 WeakPolarHBondContact OG-CH2 3.43Å; S108-W145 WeakPolarHBondContact OG-CZ3 3.35Å; W133-W145 HydrophobicContact CH2-CB 3.81Å; W133-W145 HydrophobicContact CH2-CD2 4.15Å; W133-W145 AromaticContact CH2-CE3 3.92Å; W133-W145 HydrophobicContact CH2-CE3 3.92Å; W133-W145 HydrophobicContact CH2-CG 4.11Å; W133-W145 HydrophobicContact CZ3-CB 4.04Å; W133-W145 HydrophobicContact CZ3-CE3 4.15Å; T135-W145 WeakPolarHBondContact CB-O 3.31Å; T135-W145 WeakPolarHBondContact CG2-O 3.06Å; T135-W145 WeakPolarHBondContact OG1-CB 3.38Å; T135-W145 PolarHBondContact OG1-O 3.02Å; T135-W145 VanDerWaalsContact OG1-O 3.07Å; K139-W145 HydrophobicContact CB-CB 4.41Å; G143-W145 PolarHBondContact O-N 3.01Å |
| 146 | H | 77.1 | Confident | 78.5 | Confident | 112 Ų | 112 | 81.2 Ų | 81.2 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | P | Polyproline II helix | trans | -103.3 | 161.5 | 172.6 | -55.4 | -90.5 | 0 | 0 | 0 | 110.1 | Q105 W133 Y148 | Q105-H146 PolarHBondContact NE2-O 2.79Å; Q105-H146 VanDerWaalsContact NE2-O 3.09Å; Q105-H146 PolarHBondContact OE1-O 3.3Å; W133-H146 WeakPolarHBondContact CZ3-O 3.18Å; H146-Y148 PolarHBondContact O-N 3.47Å |
| 147 | N | 78.2 | Confident | 79.2 | Confident | 63 Ų | 63 | 81 Ų | 81 | 34% | 0.337 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 140.3 | 169.2 | -63.5 | -23.7 | 0 | 0 | 0 | 109.6 | W133 Y134 T135 | W133-N147 WeakPolarHBondContact O-CA 3.19Å; Y134-N147 WeakPolarHBondContact CA-OD1 3.44Å; T135-N147 PolarHBondContact N-OD1 3.12Å |
| 148 | Y | 80.9 | Confident | 79.9 | Confident | 75 Ų | 75 | 74.6 Ų | 74.6 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 139.3 | -178.2 | -160 | -99.3 | 0 | 0 | 0 | 109.4 | Q105 F112 W133 H146 F150 | Q105-Y148 HydrophobicContact CB-CD2 4.37Å; Q105-Y148 HydrophobicContact CG-CD2 3.14Å; Q105-Y148 HydrophobicContact CG-CE2 3.62Å; Q105-Y148 HydrophobicContact CG-CG 3.75Å; F112-Y148 AromaticContact CE1-CD1 3.63Å; F112-Y148 HydrophobicContact CE1-CD1 3.63Å; F112-Y148 HydrophobicContact CE1-CG 4.45Å; F112-Y148 AromaticContact CZ-CD1 3.52Å; F112-Y148 HydrophobicContact CZ-CD1 3.52Å; F112-Y148 HydrophobicContact CZ-CE1 4.16Å; F112-Y148 HydrophobicContact CZ-CG 4.5Å; W133-Y148 PolarHBondContact N-O 3.02Å; W133-Y148 PolarHBondContact O-N 2.94Å; H146-Y148 PolarHBondContact O-N 3.47Å; Y148-F150 HydrophobicContact CD1-CE2 4.32Å; Y148-F150 HydrophobicContact CD1-CZ 4.5Å; Y148-F150 HydrophobicContact CE1-CE1 4.24Å; Y148-F150 AromaticContact CE1-CE2 3.98Å; Y148-F150 HydrophobicContact CE1-CE2 3.98Å; Y148-F150 AromaticContact CE1-CZ 3.72Å; Y148-F150 HydrophobicContact CE1-CZ 3.72Å |
| 149 | Y | 84 | Confident | 80.4 | Confident | 91 Ų | 91 | 71.9 Ų | 71.9 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 148.7 | -175.3 | 49.1 | -89.8 | 0 | 0 | 0 | 111.3 | C131 I151 T159 | C131-Y149 CarbonylContact O-C 3.54Å; C131-Y149 WeakPolarHBondContact O-CA 3.38Å; C131-Y149 WeakPolarHBondContact O-CB 3.45Å; Y149-I151 HydrophobicContact CD2-CB 4.33Å; Y149-I151 HydrophobicContact CD2-CG2 3.96Å; Y149-I151 HydrophobicContact CE2-CG2 4.23Å; Y149-T159 HydrophobicContact CE2-CG2 3.77Å; Y149-T159 WeakPolarHBondContact OH-CG2 3.28Å |
| 150 | F | 85.5 | Confident | 81.2 | Confident | 63 Ų | 63 | 69.8 Ų | 69.8 | 28% | 0.276 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124 | 163.4 | -58.1 | -86 | 0 | 0 | 0 | 106.8 | R102 R103 F112 H130 C131 Y148 | R102-F150 HydrophobicContact CB-CE2 3.88Å; R102-F150 HydrophobicContact CB-CZ 4.24Å; R103-F150 WeakPolarHBondContact O-CZ 3.28Å; F112-F150 HydrophobicContact CD1-CD2 4.15Å; F112-F150 HydrophobicContact CD1-CE2 4.25Å; F112-F150 HydrophobicContact CD2-CE2 4.14Å; F112-F150 HydrophobicContact CE1-CD2 4.06Å; F112-F150 AromaticContact CE1-CE2 3.85Å; F112-F150 HydrophobicContact CE1-CE2 3.85Å; F112-F150 HydrophobicContact CE2-CD2 4.5Å; F112-F150 AromaticContact CE2-CE2 3.71Å; F112-F150 HydrophobicContact CE2-CE2 3.71Å; F112-F150 HydrophobicContact CG-CD2 4.45Å; F112-F150 HydrophobicContact CG-CE2 4.41Å; F112-F150 HydrophobicContact CZ-CD2 4.25Å; F112-F150 AromaticContact CZ-CE2 3.57Å; F112-F150 HydrophobicContact CZ-CE2 3.57Å; F112-F150 HydrophobicContact CZ-CZ 4.49Å; H130-F150 CarbonylContact C-O 3.57Å; C131-F150 HydrophobicContact CB-CB 4.15Å; C131-F150 HydrophobicContact CB-CD2 4.21Å; C131-F150 PolarHBondContact N-O 3.49Å; C131-F150 PolarHBondContact O-N 3.31Å; Y148-F150 HydrophobicContact CD1-CE2 4.32Å; Y148-F150 HydrophobicContact CD1-CZ 4.5Å; Y148-F150 HydrophobicContact CE1-CE1 4.24Å; Y148-F150 AromaticContact CE1-CE2 3.98Å; Y148-F150 HydrophobicContact CE1-CE2 3.98Å; Y148-F150 AromaticContact CE1-CZ 3.72Å; Y148-F150 HydrophobicContact CE1-CZ 3.72Å |
| 151 | I | 89 | Confident | 82 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.195 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 133.5 | -174.2 | -166.7 | 165.5 | 0 | 0 | 0 | 108.5 | Y149 L155 | Y149-I151 HydrophobicContact CD2-CB 4.33Å; Y149-I151 HydrophobicContact CD2-CG2 3.96Å; Y149-I151 HydrophobicContact CE2-CG2 4.23Å; I151-L155 HydrophobicContact CD1-CB 3.73Å; I151-L155 WeakPolarHBondContact CD1-O 3.41Å; I151-L155 HydrophobicContact CG1-CB 3.65Å |
| 152 | S | 91.4 | Very high | 82.6 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 25% | 0.252 | 35% | 0.351 | S | S | . | . | trans | -58.1 | 141.1 | 168.5 | 175.9 | 0 | 0 | 0 | 0 | 109.5 | E129 F154 L155 G156 | E129-S152 PolarHBondContact O-N 2.9Å; S152-F154 PolarHBondContact O-N 3.27Å; S152-L155 PolarHBondContact O-N 3.18Å; S152-G156 PolarHBondContact O-N 3.4Å | ||
| 153 | D | 90.9 | Very high | 83.2 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 51% | 0.508 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -47.1 | -38.9 | 176.1 | -65.9 | -9.9 | 0 | 0 | 0 | 111.8 | P64 N65 L155 G156 | P64-D153 HydrophobicContact CG-CB 4.03Å; P64-D153 VanDerWaalsContact CG-O 3.25Å; P64-D153 WeakPolarHBondContact CG-O 3.48Å; N65-D153 PolarHBondContact ND2-OD2 2.65Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-L155 VanDerWaalsContact O-N 3.09Å; D153-G156 PolarHBondContact O-N 3.03Å |
| 154 | F | 93.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -57 | -26.9 | 178.7 | -176.9 | -106.6 | 0 | 0 | 0 | 114.1 | K90 L92 V128 S152 R176 I190 | K90-F154 HydrophobicContact CB-CD2 4.38Å; K90-F154 HydrophobicContact CB-CE2 3.74Å; K90-F154 HydrophobicContact CB-CZ 3.82Å; K90-F154 HydrophobicContact CD-CD1 4.36Å; K90-F154 HydrophobicContact CD-CD2 3.68Å; K90-F154 HydrophobicContact CD-CE2 3.91Å; K90-F154 HydrophobicContact CD-CG 3.91Å; K90-F154 HydrophobicContact CD-CZ 4.34Å; K90-F154 HydrophobicContact CG-CD1 4.39Å; K90-F154 HydrophobicContact CG-CD2 4.18Å; K90-F154 HydrophobicContact CG-CE1 4.15Å; K90-F154 HydrophobicContact CG-CE2 3.93Å; K90-F154 HydrophobicContact CG-CG 4.39Å; K90-F154 HydrophobicContact CG-CZ 3.91Å; K90-F154 WeakPolarHBondContact O-CZ 3.41Å; L92-F154 HydrophobicContact CD2-CE1 4.15Å; V128-F154 HydrophobicContact CG1-CD1 4.32Å; V128-F154 HydrophobicContact CG2-CB 4.18Å; V128-F154 HydrophobicContact CG2-CD1 3.84Å; V128-F154 HydrophobicContact CG2-CG 4.28Å; S152-F154 PolarHBondContact O-N 3.27Å; F154-R176 VanDerWaalsContact CE1-CD 3.46Å; F154-R176 HydrophobicContact CE1-CG 4.1Å; F154-R176 HydrophobicContact CZ-CB 4.17Å; F154-R176 HydrophobicContact CZ-CG 3.89Å; F154-R176 PolarHBondContact O-NH1 3.13Å; F154-I190 HydrophobicContact CD2-CD1 4.18Å; F154-I190 HydrophobicContact CE2-CD1 4.29Å; F154-I190 HydrophobicContact CE2-CG2 4.2Å |
| 155 | L | 92.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -108.4 | 6 | 175.4 | -59.1 | -179.4 | 0 | 0 | 0 | 112.4 | F117 V128 H130 I151 S152 D153 D157 L158 L167 | F117-L155 HydrophobicContact CE2-CD1 4.49Å; V128-L155 HydrophobicContact CG1-CD1 3.33Å; V128-L155 HydrophobicContact CG1-CD2 4.3Å; V128-L155 HydrophobicContact CG1-CG 3.52Å; H130-L155 HydrophobicContact CB-CD1 4.25Å; I151-L155 HydrophobicContact CD1-CB 3.73Å; I151-L155 WeakPolarHBondContact CD1-O 3.41Å; I151-L155 HydrophobicContact CG1-CB 3.65Å; S152-L155 PolarHBondContact O-N 3.18Å; D153-L155 PolarHBondContact O-N 2.92Å; D153-L155 VanDerWaalsContact O-N 3.09Å; L155-D157 PolarHBondContact O-N 3.03Å; L155-L158 HydrophobicContact CB-CD1 4.48Å; L155-L158 HydrophobicContact CD2-CD1 3.99Å; L155-L158 WeakPolarHBondContact O-CB 3.18Å; L155-L158 PolarHBondContact O-N 3.4Å; L155-L167 HydrophobicContact CD1-CD1 4.05Å; L155-L167 HydrophobicContact CD1-CD2 3.85Å; L155-L167 HydrophobicContact CD2-CD2 4.19Å |
| 156 | G | 88.7 | Confident | 85.3 | Confident | 32 Ų | 32 | 62.4 Ų | 62.4 | 33% | 0.33 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -15.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | S152 D153 T159 | S152-G156 PolarHBondContact O-N 3.4Å; D153-G156 PolarHBondContact O-N 3.03Å; G156-T159 WeakPolarHBondContact O-CG2 3.48Å |
| 157 | D | 88.7 | Confident | 85.9 | Confident | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -17.2 | 172 | 66.5 | -54.3 | 0 | 0 | 0 | 113.5 | L155 T159 R176 | L155-D157 PolarHBondContact O-N 3.03Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.96Å; D157-T159 VanDerWaalsContact O-N 3.12Å; D157-R176 IonicContact OD1-CZ 2.76Å; D157-R176 VanDerWaalsContact OD1-CZ 3.26Å; D157-R176 IonicContact OD1-NH1 2.78Å; D157-R176 PolarHBondContact OD1-NH1 2.86Å; D157-R176 IonicContact OD1-NH2 3.81Å; D157-R176 PolarHBondContact OD1-NH2 3.39Å; D157-R176 IonicContact OD2-CZ 2.8Å; D157-R176 IonicContact OD2-NH1 3.11Å; D157-R176 IonicContact OD2-NH2 3.71Å; D157-R176 PolarHBondContact OD2-NH2 2.9Å |
| 158 | L | 87.5 | Confident | 86.4 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | trans | -88 | 53.3 | -179.7 | -54.4 | -176.4 | 0 | 0 | 0 | 111.5 | L155 D163 Q164 L167 L193 | L155-L158 HydrophobicContact CB-CD1 4.48Å; L155-L158 HydrophobicContact CD2-CD1 3.99Å; L155-L158 WeakPolarHBondContact O-CB 3.18Å; L155-L158 PolarHBondContact O-N 3.4Å; L158-D163 HydrophobicContact CB-CB 3.88Å; L158-D163 HydrophobicContact CD2-CB 3.88Å; L158-D163 HydrophobicContact CG-CB 4.4Å; L158-Q164 WeakPolarHBondContact O-CG 3.1Å; L158-L167 HydrophobicContact CD1-CD1 4.36Å; L158-L167 HydrophobicContact CD1-CD2 3.89Å; L158-L167 HydrophobicContact CD1-CG 4.13Å; L158-L193 HydrophobicContact CD1-CD2 4.12Å | ||
| 159 | T | 81 | Confident | 86.9 | Confident | 63 Ų | 63 | 59 Ų | 59 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | trans | -88.7 | -18.8 | 179.1 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | Y149 G156 D157 Q164 | Y149-T159 HydrophobicContact CE2-CG2 3.77Å; Y149-T159 WeakPolarHBondContact OH-CG2 3.28Å; G156-T159 WeakPolarHBondContact O-CG2 3.48Å; D157-T159 VanDerWaalsContact C-N 3.26Å; D157-T159 PolarHBondContact O-N 2.96Å; D157-T159 VanDerWaalsContact O-N 3.12Å; T159-Q164 PolarHBondContact O-NE2 3.12Å | ||
| 160 | A | 80.2 | Confident | 87.4 | Confident | 47 Ų | 47 | 55.1 Ų | 55.1 | 39% | 0.388 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -66.6 | 139.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110 | E162 D163 Q164 | A160-E162 PolarHBondContact O-N 2.02Å; A160-E162 VanDerWaalsContact O-N 3.09Å; A160-D163 HydrophobicContact CB-CB 4.5Å; A160-D163 PolarHBondContact O-N 2.87Å; A160-Q164 WeakPolarHBondContact O-CG 3.37Å; A160-Q164 PolarHBondContact O-N 2.83Å |
| 161 | K | 79.2 | Confident | 87.8 | Confident | 105 Ų | 105 | 58.8 Ų | 58.8 | 46% | 0.457 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -54.4 | -34.1 | -178.3 | -175.6 | 177.2 | -179.4 | 178.1 | 0 | 112.5 | Y134 R165 | Y134-K161 HydrophobicContact CE1-CG 4.18Å; K161-R165 WeakPolarHBondContact O-CB 3.45Å; K161-R165 VanDerWaalsContact O-CG 3.23Å; K161-R165 WeakPolarHBondContact O-CG 3.38Å; K161-R165 PolarHBondContact O-N 2.78Å; K161-R165 VanDerWaalsContact O-N 3.08Å |
| 162 | E | 82.4 | Confident | 88.1 | Confident | 160 Ų | 160 | 59.5 Ų | 59.5 | 75% | 0.748 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -69.1 | -39.8 | 178.1 | -66.2 | 178.9 | -175.9 | 0 | 0 | 112.7 | A160 R165 H166 | A160-E162 PolarHBondContact O-N 2.02Å; A160-E162 VanDerWaalsContact O-N 3.09Å; E162-R165 VanDerWaalsContact O-CB 3.24Å; E162-R165 WeakPolarHBondContact O-CB 3.06Å; E162-R165 PolarHBondContact O-N 2.86Å; E162-H166 PolarHBondContact O-N 2.97Å |
| 163 | D | 84.7 | Confident | 88.3 | Confident | 61 Ų | 61 | 59 Ų | 59 | 33% | 0.326 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.9 | -40.9 | 177.3 | -69.2 | -38.5 | 0 | 0 | 0 | 111.9 | L158 A160 R165 H166 L167 | L158-D163 HydrophobicContact CB-CB 3.88Å; L158-D163 HydrophobicContact CD2-CB 3.88Å; L158-D163 HydrophobicContact CG-CB 4.4Å; A160-D163 HydrophobicContact CB-CB 4.5Å; A160-D163 PolarHBondContact O-N 2.87Å; D163-R165 PolarHBondContact O-N 2.83Å; D163-H166 WeakPolarHBondContact O-CA 3.18Å; D163-H166 VanDerWaalsContact O-CB 3.29Å; D163-H166 WeakPolarHBondContact O-CB 3.48Å; D163-H166 PolarHBondContact O-N 3.07Å; D163-L167 PolarHBondContact O-N 2.73Å |
| 164 | Q | 82.2 | Confident | 88.5 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.1 | -66.4 | -178.3 | -14.5 | 0 | 0 | 111.3 | Y134 L158 T159 A160 L167 T168 | Y134-Q164 WeakPolarHBondContact OH-CB 3.04Å; Y134-Q164 PolarHBondContact OH-OE1 2.82Å; L158-Q164 WeakPolarHBondContact O-CG 3.1Å; T159-Q164 PolarHBondContact O-NE2 3.12Å; A160-Q164 WeakPolarHBondContact O-CG 3.37Å; A160-Q164 PolarHBondContact O-N 2.83Å; Q164-L167 WeakPolarHBondContact O-CB 3.26Å; Q164-L167 PolarHBondContact O-N 3.17Å; Q164-T168 PolarHBondContact O-OG1 2.79Å |
| 165 | R | 83.7 | Confident | 88.6 | Confident | 123 Ų | 123 | 54.5 Ų | 54.5 | 46% | 0.464 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 169.6 | -92.2 | -175.3 | -179.2 | -172.5 | -1.9 | 111.3 | K161 E162 D163 L167 T168 W169 | K161-R165 WeakPolarHBondContact O-CB 3.45Å; K161-R165 VanDerWaalsContact O-CG 3.23Å; K161-R165 WeakPolarHBondContact O-CG 3.38Å; K161-R165 PolarHBondContact O-N 2.78Å; K161-R165 VanDerWaalsContact O-N 3.08Å; E162-R165 VanDerWaalsContact O-CB 3.24Å; E162-R165 WeakPolarHBondContact O-CB 3.06Å; E162-R165 PolarHBondContact O-N 2.86Å; D163-R165 PolarHBondContact O-N 2.83Å; R165-L167 VanDerWaalsContact C-N 3.25Å; R165-L167 PolarHBondContact O-N 2.87Å; R165-T168 WeakPolarHBondContact O-CB 3.34Å; R165-T168 PolarHBondContact O-N 2.92Å; R165-T168 PolarHBondContact O-OG1 3.12Å; R165-W169 VanDerWaalsContact C-CZ2 3.45Å; R165-W169 HydrophobicContact CB-CH2 3.63Å; R165-W169 HydrophobicContact CB-CZ2 3.2Å; R165-W169 HydrophobicContact CG-CH2 3.53Å; R165-W169 HydrophobicContact CG-CZ2 3.59Å; R165-W169 VanDerWaalsContact O-CZ2 3.28Å; R165-W169 WeakPolarHBondContact O-CZ2 3.32Å; R165-W169 PolarHBondContact O-NE1 2.75Å |
| 166 | H | 90.1 | Very high | 88.8 | Confident | 66 Ų | 66 | 54.5 Ų | 54.5 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.4 | -36.6 | 177.2 | -166.6 | -175.8 | 0 | 0 | 0 | 113.1 | E162 D163 T168 W169 V170 L193 | E162-H166 PolarHBondContact O-N 2.97Å; D163-H166 WeakPolarHBondContact O-CA 3.18Å; D163-H166 VanDerWaalsContact O-CB 3.29Å; D163-H166 WeakPolarHBondContact O-CB 3.48Å; D163-H166 PolarHBondContact O-N 3.07Å; H166-T168 PolarHBondContact O-N 3Å; H166-T168 VanDerWaalsContact O-N 3.1Å; H166-W169 PolarHBondContact O-N 3.2Å; H166-W169 VanDerWaalsContact O-N 3.16Å; H166-V170 WeakPolarHBondContact O-CB 3.43Å; H166-V170 PolarHBondContact O-N 3.48Å; H166-L193 PolarHBondContact CE1-O 3.33Å |
| 167 | L | 90 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.2 | -28.5 | 173.9 | -70.3 | 169.2 | 0 | 0 | 0 | 113.4 | R95 M115 F117 H130 L155 L158 D163 Q164 R165 L193 | R95-L167 PolarHBondContact NH1-O 2.99Å; M115-L167 HydrophobicContact CE-CB 3.75Å; M115-L167 HydrophobicContact CE-CD1 4.45Å; M115-L167 HydrophobicContact SD-CB 4.48Å; F117-L167 HydrophobicContact CE2-CD2 4.37Å; F117-L167 HydrophobicContact CZ-CB 4.26Å; F117-L167 HydrophobicContact CZ-CD2 4.13Å; H130-L167 HydrophobicContact CB-CD1 4.29Å; L155-L167 HydrophobicContact CD1-CD1 4.05Å; L155-L167 HydrophobicContact CD1-CD2 3.85Å; L155-L167 HydrophobicContact CD2-CD2 4.19Å; L158-L167 HydrophobicContact CD1-CD1 4.36Å; L158-L167 HydrophobicContact CD1-CD2 3.89Å; L158-L167 HydrophobicContact CD1-CG 4.13Å; D163-L167 PolarHBondContact O-N 2.73Å; Q164-L167 WeakPolarHBondContact O-CB 3.26Å; Q164-L167 PolarHBondContact O-N 3.17Å; R165-L167 VanDerWaalsContact C-N 3.25Å; R165-L167 PolarHBondContact O-N 2.87Å; L167-L193 HydrophobicContact CD2-CD2 3.62Å; L167-L193 HydrophobicContact CG-CD2 4.15Å |
| 168 | T | 88.7 | Confident | 89.5 | Confident | 24 Ų | 24 | 50 Ų | 50 | 15% | 0.147 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -77.4 | -29.4 | -176.9 | -52.5 | 0 | 0 | 0 | 0 | 112.2 | R95 R97 Q164 R165 H166 | R95-T168 PolarHBondContact NH1-O 3.03Å; R95-T168 PolarHBondContact NH2-O 3.01Å; R95-T168 VanDerWaalsContact NH2-O 3.12Å; R97-T168 PolarHBondContact NH2-O 2.81Å; Q164-T168 PolarHBondContact O-OG1 2.79Å; R165-T168 WeakPolarHBondContact O-CB 3.34Å; R165-T168 PolarHBondContact O-N 2.92Å; R165-T168 PolarHBondContact O-OG1 3.12Å; H166-T168 PolarHBondContact O-N 3Å; H166-T168 VanDerWaalsContact O-N 3.1Å |
| 169 | W | 91.1 | Very high | 89.8 | Confident | 156 Ų | 156 | 49.7 Ų | 49.7 | 59% | 0.591 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -122.5 | -6.3 | -174.6 | 28.7 | 92.7 | 0 | 0 | 0 | 116 | R165 H166 K171 | R165-W169 VanDerWaalsContact C-CZ2 3.45Å; R165-W169 HydrophobicContact CB-CH2 3.63Å; R165-W169 HydrophobicContact CB-CZ2 3.2Å; R165-W169 HydrophobicContact CG-CH2 3.53Å; R165-W169 HydrophobicContact CG-CZ2 3.59Å; R165-W169 VanDerWaalsContact O-CZ2 3.28Å; R165-W169 WeakPolarHBondContact O-CZ2 3.32Å; R165-W169 PolarHBondContact O-NE1 2.75Å; H166-W169 PolarHBondContact O-N 3.2Å; H166-W169 VanDerWaalsContact O-N 3.16Å; W169-K171 PolarHBondContact O-N 3.06Å |
| 170 | V | 94 | Very high | 90.3 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 133.6 | 172.7 | 68.4 | 0 | 0 | 0 | 0 | 110 | R95 H166 L172 A174 L193 | R95-V170 PolarHBondContact NH1-O 3.46Å; H166-V170 WeakPolarHBondContact O-CB 3.43Å; H166-V170 PolarHBondContact O-N 3.48Å; V170-L172 HydrophobicContact CG1-CD2 4.31Å; V170-A174 HydrophobicContact CG1-CB 4.09Å; V170-A174 HydrophobicContact CG2-CB 3.79Å; V170-L193 HydrophobicContact CB-CD2 4.31Å; V170-L193 HydrophobicContact CB-CG 4.43Å; V170-L193 HydrophobicContact CG1-CD2 4.15Å; V170-L193 HydrophobicContact CG1-CG 4.42Å; V170-L193 HydrophobicContact CG2-CG 4.14Å |
| 171 | K | 94.8 | Very high | 90.7 | Very high | 141 Ų | 141 | 46.9 Ų | 46.9 | 61% | 0.613 | 21% | 0.21 | S | C | * | . | P | Polyproline II helix | trans | -72.3 | 137.4 | 175 | -69 | -177.1 | 179.9 | 177.4 | 0 | 109.6 | W169 E195 | W169-K171 PolarHBondContact O-N 3.06Å; K171-E195 HydrophobicContact CB-CB 4.27Å; K171-E195 HydrophobicContact CB-CG 4.08Å; K171-E195 WeakPolarHBondContact CD-OE2 3.27Å |
| 172 | L | 94.9 | Very high | 91 | Very high | 53 Ų | 53 | 47.5 Ų | 47.5 | 28% | 0.277 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -102 | 146.1 | -178.8 | -56.8 | 176 | 0 | 0 | 0 | 110.9 | L92 L93 R95 F117 V170 A174 | L92-L172 HydrophobicContact CB-CD2 4.15Å; L93-L172 VanDerWaalsContact O-CB 3.27Å; L93-L172 WeakPolarHBondContact O-CB 3.48Å; R95-L172 HydrophobicContact CB-CD1 3.81Å; F117-L172 HydrophobicContact CE1-CD2 4.47Å; V170-L172 HydrophobicContact CG1-CD2 4.31Å; L172-A174 HydrophobicContact CD2-CB 3.73Å |
| 173 | P | 95.2 | Very high | 91.2 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 16% | 0.162 | 20% | 0.199 | C | C | . | . | S | Bend | cis | -70.8 | 139 | 2.3 | 28.2 | -33.9 | 0 | 0 | 0 | 113 | I91 L92 L93 C196 | I91-P173 HydrophobicContact CG2-CB 3.78Å; L92-P173 CarbonylContact O-C 3.46Å; L92-P173 WeakPolarHBondContact O-CA 3.42Å; L93-P173 HydrophobicContact CD2-CB 4.19Å; P173-C196 VanDerWaalsContact C-SG 3.53Å; P173-C196 HydrophobicContact CG-CB 4.21Å; P173-C196 WeakPolarHBondContact O-CB 3.32Å; P173-C196 PolarHBondContact O-N 2.77Å; P173-C196 PolarHBondContact O-SG 2.87Å |
| 174 | A | 95.6 | Very high | 91 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L92 V170 L172 L193 Y194 | L92-A174 HydrophobicContact CB-CB 4.28Å; L92-A174 PolarHBondContact N-O 3.18Å; L92-A174 PolarHBondContact O-N 3.03Å; V170-A174 HydrophobicContact CG1-CB 4.09Å; V170-A174 HydrophobicContact CG2-CB 3.79Å; L172-A174 HydrophobicContact CD2-CB 3.73Å; A174-L193 HydrophobicContact CB-CD1 3.98Å; A174-Y194 CarbonylContact C-O 3.58Å; A174-Y194 VanDerWaalsContact CA-O 3.3Å; A174-Y194 WeakPolarHBondContact CA-O 3.38Å |
| 175 | C | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 155.6 | -173.5 | -80.4 | 0 | 0 | 0 | 0 | 110.9 | L87 Y194 C196 | L87-C175 HydrophobicContact CD1-CB 3.81Å; C175-Y194 HydrophobicContact CB-CD2 4.28Å; C175-Y194 HydrophobicContact CB-CE1 4.14Å; C175-Y194 HydrophobicContact CB-CE2 3.66Å; C175-Y194 PolarHBondContact N-O 2.92Å; C175-Y194 WeakPolarHBondContact O-CD1 3.45Å; C175-Y194 PolarHBondContact O-N 3.47Å; C175-Y194 VanDerWaalsContact O-N 3.08Å; C175-C196 HydrophobicContact CB-CB 4.03Å; C175-C196 WeakPolarHBondContact CB-SG 3.34Å; C175-C196 PolarHBondContact N-SG 2.8Å; C175-C196 VanDerWaalsContact SG-CA 3.5Å; C175-C196 WeakPolarHBondContact SG-CB 3.28Å; C175-C196 CovalentContact SG-SG 2.03Å; C175-C196 PolarHBondContact SG-SG 2.04Å |
| 176 | R | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 161.5 | 173.1 | -51 | -162.6 | 72 | -168.3 | -1.1 | 109.3 | N88 F154 D157 I190 G192 L193 | N88-R176 WeakPolarHBondContact CB-O 3.32Å; N88-R176 PolarHBondContact N-O 3.15Å; F154-R176 VanDerWaalsContact CE1-CD 3.46Å; F154-R176 HydrophobicContact CE1-CG 4.1Å; F154-R176 HydrophobicContact CZ-CB 4.17Å; F154-R176 HydrophobicContact CZ-CG 3.89Å; F154-R176 PolarHBondContact O-NH1 3.13Å; D157-R176 IonicContact OD1-CZ 2.76Å; D157-R176 VanDerWaalsContact OD1-CZ 3.26Å; D157-R176 IonicContact OD1-NH1 2.78Å; D157-R176 PolarHBondContact OD1-NH1 2.86Å; D157-R176 IonicContact OD1-NH2 3.81Å; D157-R176 PolarHBondContact OD1-NH2 3.39Å; D157-R176 IonicContact OD2-CZ 2.8Å; D157-R176 IonicContact OD2-NH1 3.11Å; D157-R176 IonicContact OD2-NH2 3.71Å; D157-R176 PolarHBondContact OD2-NH2 2.9Å; R176-I190 HydrophobicContact CB-CG2 4.08Å; R176-G192 WeakPolarHBondContact CG-O 3.4Å; R176-G192 PolarHBondContact NE-O 2.86Å; R176-G192 PolarHBondContact NH2-O 2.77Å; R176-L193 HydrophobicContact CG-CD1 4.37Å |
| 177 | N | 96.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.7 | 178.9 | -68.2 | -41 | 0 | 0 | 0 | 111.4 | R85 I86 I190 Q191 Y194 E200 F201 | R85-N177 HydrophobicContact CB-CB 4.32Å; I86-N177 CarbonylContact O-C 3.59Å; I86-N177 VanDerWaalsContact O-CA 3.26Å; I86-N177 WeakPolarHBondContact O-CA 2.94Å; N177-I190 CarbonylContact O-C 3.49Å; N177-I190 VanDerWaalsContact O-CA 3.31Å; N177-I190 WeakPolarHBondContact O-CA 3.27Å; N177-Q191 PolarHBondContact N-O 2.89Å; N177-Q191 PolarHBondContact O-N 3.16Å; N177-Y194 WeakPolarHBondContact ND2-CE1 3.44Å; N177-Y194 PolarHBondContact OD1-OH 2.99Å; N177-E200 PolarHBondContact ND2-O 3.26Å; N177-F201 WeakPolarHBondContact OD1-CB 3.07Å |
| 178 | L | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 130 | 152.6 | 169.7 | 63.6 | 0 | 0 | 0 | 108.3 | W62 L67 I70 I86 L180 P188 | W62-L178 HydrophobicContact CD2-CD2 3.67Å; W62-L178 HydrophobicContact CE3-CB 4.25Å; W62-L178 HydrophobicContact CE3-CD2 3.68Å; W62-L178 HydrophobicContact CG-CD2 4.28Å; W62-L178 HydrophobicContact CH2-CD2 3.89Å; W62-L178 HydrophobicContact CZ2-CD2 3.92Å; W62-L178 HydrophobicContact CZ3-CB 4.48Å; W62-L178 HydrophobicContact CZ3-CD2 3.8Å; L67-L178 HydrophobicContact CD2-CD1 3.5Å; L67-L178 VanDerWaalsContact CD2-CD1 3.5Å; I70-L178 HydrophobicContact CD1-CD1 4.29Å; I70-L178 HydrophobicContact CD1-CD2 3.84Å; I86-L178 HydrophobicContact CB-CB 4.3Å; I86-L178 HydrophobicContact CD1-CD2 4.41Å; I86-L178 PolarHBondContact N-O 2.68Å; I86-L178 PolarHBondContact O-N 2.8Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD2-CD2 4.12Å; L178-L180 HydrophobicContact CD2-CG 4.35Å; L178-L180 HydrophobicContact CG-CD2 4.11Å; L178-L180 HydrophobicContact CG-CG 4.31Å; L178-P188 HydrophobicContact CD1-CB 4.17Å |
| 179 | V | 93.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.3 | 175.2 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | R83 Y84 Y181 P188 K189 Q191 | R83-V179 HydrophobicContact CB-CG1 4.13Å; Y84-V179 WeakPolarHBondContact O-CA 3.36Å; V179-Y181 HydrophobicContact CB-CE2 4.35Å; V179-Y181 HydrophobicContact CG1-CD2 4.37Å; V179-Y181 HydrophobicContact CG1-CE1 4.04Å; V179-Y181 HydrophobicContact CG1-CE2 3.85Å; V179-P188 WeakPolarHBondContact O-CA 3.4Å; V179-K189 PolarHBondContact N-O 2.79Å; V179-K189 PolarHBondContact O-N 3.09Å; V179-Q191 HydrophobicContact CG2-CG 3.54Å |
| 180 | L | 91.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 139.7 | 170.4 | -60.5 | -173.7 | 0 | 0 | 0 | 109.3 | F29 I70 V75 Y77 R83 Y84 I86 L178 P188 | F29-L180 HydrophobicContact CE2-CD1 3.62Å; F29-L180 HydrophobicContact CZ-CD1 3.71Å; I70-L180 HydrophobicContact CD1-CD2 4.24Å; I70-L180 HydrophobicContact CG2-CD2 4.45Å; V75-L180 HydrophobicContact CG1-CD1 4.19Å; V75-L180 HydrophobicContact CG2-CD1 4.29Å; Y77-L180 HydrophobicContact CE1-CB 4.24Å; R83-L180 CarbonylContact C-O 3.49Å; R83-L180 WeakPolarHBondContact CA-O 3.06Å; R83-L180 VanDerWaalsContact CB-O 3.31Å; R83-L180 WeakPolarHBondContact CB-O 3.37Å; Y84-L180 PolarHBondContact N-O 2.9Å; Y84-L180 PolarHBondContact O-N 2.99Å; I86-L180 HydrophobicContact CD1-CD1 3.5Å; I86-L180 VanDerWaalsContact CD1-CD1 3.5Å; I86-L180 HydrophobicContact CD1-CG 3.89Å; L178-L180 HydrophobicContact CD1-CD2 4.14Å; L178-L180 HydrophobicContact CD2-CD2 4.12Å; L178-L180 HydrophobicContact CD2-CG 4.35Å; L178-L180 HydrophobicContact CG-CD2 4.11Å; L178-L180 HydrophobicContact CG-CG 4.31Å; L180-P188 HydrophobicContact CD2-CB 3.82Å; L180-P188 HydrophobicContact CD2-CG 3.87Å |
| 181 | Y | 89.8 | Confident | 91.8 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 135.7 | -178.1 | -65.1 | -85.3 | 0 | 0 | 0 | 109.5 | Y77 R83 V179 N183 A186 S187 K189 | Y77-Y181 PolarHBondContact OH-O 3.35Å; R83-Y181 HydrophobicContact CB-CD1 3.98Å; R83-Y181 HydrophobicContact CB-CE1 4.32Å; V179-Y181 HydrophobicContact CB-CE2 4.35Å; V179-Y181 HydrophobicContact CG1-CD2 4.37Å; V179-Y181 HydrophobicContact CG1-CE1 4.04Å; V179-Y181 HydrophobicContact CG1-CE2 3.85Å; Y181-N183 PolarHBondContact O-N 2.89Å; Y181-A186 HydrophobicContact CD1-CB 4.29Å; Y181-A186 HydrophobicContact CD2-CB 3.84Å; Y181-A186 HydrophobicContact CG-CB 3.65Å; Y181-S187 WeakPolarHBondContact CD2-O 3.35Å; Y181-S187 VanDerWaalsContact CE2-O 3.28Å; Y181-S187 WeakPolarHBondContact CE2-O 3.35Å; Y181-K189 HydrophobicContact CE2-CG 4.42Å; Y181-K189 WeakPolarHBondContact OH-CE 2.9Å |
| 182 | R | 84.6 | Confident | 91.7 | Very high | 118 Ų | 118 | 40.4 Ų | 40.4 | 45% | 0.445 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -63.1 | -34.9 | 174.8 | -176.7 | 177.3 | 173.9 | -169.6 | 0.8 | 111.9 | Y77 K79 M81 E82 P184 | Y77-R182 HydrophobicContact CD1-CB 3.95Å; Y77-R182 HydrophobicContact CD1-CG 4.43Å; Y77-R182 HydrophobicContact CD2-CB 4.5Å; Y77-R182 HydrophobicContact CD2-CG 4.31Å; Y77-R182 HydrophobicContact CE1-CB 4.35Å; Y77-R182 HydrophobicContact CG-CB 4.04Å; Y77-R182 HydrophobicContact CG-CG 4.01Å; K79-R182 PolarHBondContact O-NH1 3.03Å; M81-R182 WeakPolarHBondContact O-CD 3.13Å; E82-R182 WeakPolarHBondContact O-CB 3.33Å; E82-R182 PolarHBondContact O-N 2.68Å; R182-P184 VanDerWaalsContact O-CD 3.28Å; R182-P184 WeakPolarHBondContact O-CD 3.32Å |
| 183 | N | 85.8 | Confident | 91.7 | Very high | 99 Ų | 99 | 38.6 Ų | 38.6 | 53% | 0.529 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -68.2 | 114.8 | 172.4 | -178.5 | -3.2 | 0 | 0 | 0 | 109.5 | Y181 A185 A186 | Y181-N183 PolarHBondContact O-N 2.89Å; N183-A185 PolarHBondContact O-N 2.9Å; N183-A185 WeakPolarHBondContact OD1-CB 3.33Å; N183-A185 PolarHBondContact OD1-N 2.87Å; N183-A186 PolarHBondContact O-N 3.46Å |
| 184 | P | 81.1 | Confident | 91.7 | Very high | 96 Ų | 96 | 37.8 Ų | 37.8 | 62% | 0.623 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.5 | -177.3 | 26.9 | -35.4 | 0 | 0 | 0 | 113.5 | K72 R182 A186 | K72-P184 PolarHBondContact NZ-O 2.97Å; K72-P184 VanDerWaalsContact NZ-O 3.15Å; R182-P184 VanDerWaalsContact O-CD 3.28Å; R182-P184 WeakPolarHBondContact O-CD 3.32Å; P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 2.8Å |
| 185 | A | 85.1 | Confident | 91.6 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 72% | 0.719 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -24.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | N183 | N183-A185 PolarHBondContact O-N 2.9Å; N183-A185 WeakPolarHBondContact OD1-CB 3.33Å; N183-A185 PolarHBondContact OD1-N 2.87Å |
| 186 | A | 88.7 | Confident | 91.5 | Very high | 31 Ų | 31 | 40.2 Ų | 40.2 | 26% | 0.256 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78 | 137.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | K72 Y181 N183 P184 | K72-A186 PolarHBondContact NZ-O 2.8Å; Y181-A186 HydrophobicContact CD1-CB 4.29Å; Y181-A186 HydrophobicContact CD2-CB 3.84Å; Y181-A186 HydrophobicContact CG-CB 3.65Å; N183-A186 PolarHBondContact O-N 3.46Å; P184-A186 VanDerWaalsContact C-N 3.27Å; P184-A186 PolarHBondContact O-N 2.8Å |
| 187 | S | 89.1 | Confident | 91.2 | Very high | 82 Ų | 82 | 48 Ų | 48 | 57% | 0.573 | 27% | 0.266 | S | S | * | . | P | Polyproline II helix | trans | -82.5 | 138 | 175.9 | 46.5 | 0 | 0 | 0 | 0 | 111.2 | Y181 | Y181-S187 WeakPolarHBondContact CD2-O 3.35Å; Y181-S187 VanDerWaalsContact CE2-O 3.28Å; Y181-S187 WeakPolarHBondContact CE2-O 3.35Å |
| 188 | P | 92.4 | Very high | 91 | Very high | 19 Ų | 19 | 53.7 Ų | 53.7 | 12% | 0.123 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 146.4 | 164.8 | -25.6 | 34.6 | 0 | 0 | 0 | 110.8 | L67 L178 V179 L180 | L67-P188 HydrophobicContact CB-CB 4.38Å; L178-P188 HydrophobicContact CD1-CB 4.17Å; V179-P188 WeakPolarHBondContact O-CA 3.4Å; L180-P188 HydrophobicContact CD2-CB 3.82Å; L180-P188 HydrophobicContact CD2-CG 3.87Å |
| 189 | K | 93.8 | Very high | 90.9 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 152 | 174.4 | 66.5 | -173.3 | -164.9 | -175.8 | 0 | 111.2 | V179 Y181 | V179-K189 PolarHBondContact N-O 2.79Å; V179-K189 PolarHBondContact O-N 3.09Å; Y181-K189 HydrophobicContact CE2-CG 4.42Å; Y181-K189 WeakPolarHBondContact OH-CE 2.9Å |
| 190 | I | 95 | Very high | 90.9 | Very high | 11 Ų | 11 | 60.3 Ų | 60.3 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 130.1 | 167.7 | -61.3 | 164.5 | 0 | 0 | 0 | 106.6 | W62 P64 L67 N88 F154 R176 N177 | W62-I190 WeakPolarHBondContact O-CD1 3.08Å; P64-I190 HydrophobicContact CG-CD1 4.24Å; L67-I190 HydrophobicContact CD1-CG1 4.26Å; L67-I190 HydrophobicContact CD2-CG1 4.39Å; N88-I190 WeakPolarHBondContact ND2-CD1 3.31Å; F154-I190 HydrophobicContact CD2-CD1 4.18Å; F154-I190 HydrophobicContact CE2-CD1 4.29Å; F154-I190 HydrophobicContact CE2-CG2 4.2Å; R176-I190 HydrophobicContact CB-CG2 4.08Å; N177-I190 CarbonylContact O-C 3.49Å; N177-I190 VanDerWaalsContact O-CA 3.31Å; N177-I190 WeakPolarHBondContact O-CA 3.27Å |
| 191 | Q | 93.4 | Very high | 91 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 166.5 | 178.4 | 81.2 | 178.3 | 6.1 | 0 | 0 | 112.1 | N177 V179 | N177-Q191 PolarHBondContact N-O 2.89Å; N177-Q191 PolarHBondContact O-N 3.16Å; V179-Q191 HydrophobicContact CG2-CG 3.54Å |
| 192 | G | 91.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 61.2 Ų | 61.2 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78.6 | 160.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R176 | R176-G192 WeakPolarHBondContact CG-O 3.4Å; R176-G192 PolarHBondContact NE-O 2.86Å; R176-G192 PolarHBondContact NH2-O 2.77Å |
| 193 | L | 94.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 57.2 Ų | 57.2 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 113.7 | 173.9 | 177 | 68 | 0 | 0 | 0 | 106 | L92 L158 H166 L167 V170 A174 R176 | L92-L193 HydrophobicContact CD1-CD1 4.14Å; L158-L193 HydrophobicContact CD1-CD2 4.12Å; H166-L193 PolarHBondContact CE1-O 3.33Å; L167-L193 HydrophobicContact CD2-CD2 3.62Å; L167-L193 HydrophobicContact CG-CD2 4.15Å; V170-L193 HydrophobicContact CB-CD2 4.31Å; V170-L193 HydrophobicContact CB-CG 4.43Å; V170-L193 HydrophobicContact CG1-CD2 4.15Å; V170-L193 HydrophobicContact CG1-CG 4.42Å; V170-L193 HydrophobicContact CG2-CG 4.14Å; A174-L193 HydrophobicContact CB-CD1 3.98Å; R176-L193 HydrophobicContact CG-CD1 4.37Å |
| 194 | Y | 95.2 | Very high | 91.8 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 3% | 0.027 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 159.1 | -174.1 | 61.6 | -85.2 | 0 | 0 | 0 | 111 | A174 C175 N177 C196 K198 E200 | A174-Y194 CarbonylContact C-O 3.58Å; A174-Y194 VanDerWaalsContact CA-O 3.3Å; A174-Y194 WeakPolarHBondContact CA-O 3.38Å; C175-Y194 HydrophobicContact CB-CD2 4.28Å; C175-Y194 HydrophobicContact CB-CE1 4.14Å; C175-Y194 HydrophobicContact CB-CE2 3.66Å; C175-Y194 PolarHBondContact N-O 2.92Å; C175-Y194 WeakPolarHBondContact O-CD1 3.45Å; C175-Y194 PolarHBondContact O-N 3.47Å; C175-Y194 VanDerWaalsContact O-N 3.08Å; N177-Y194 WeakPolarHBondContact ND2-CE1 3.44Å; N177-Y194 PolarHBondContact OD1-OH 2.99Å; Y194-C196 PolarHBondContact O-N 3.09Å; Y194-K198 HydrophobicContact CD2-CB 4.31Å; Y194-E200 HydrophobicContact CD1-CB 4.19Å; Y194-E200 HydrophobicContact CD2-CB 3.88Å; Y194-E200 HydrophobicContact CD2-CG 3.89Å; Y194-E200 HydrophobicContact CE1-CB 4.12Å; Y194-E200 HydrophobicContact CE2-CB 3.83Å; Y194-E200 HydrophobicContact CE2-CG 4.27Å; Y194-E200 HydrophobicContact CG-CB 4.09Å; Y194-E200 HydrophobicContact CG-CG 4.14Å |
| 195 | E | 94.8 | Very high | 92.4 | Very high | 50 Ų | 50 | 48 Ų | 48 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 123.3 | 172.1 | 179.6 | -177.6 | 176.2 | 0 | 0 | 109.3 | K171 K197 K198 | K171-E195 HydrophobicContact CB-CB 4.27Å; K171-E195 HydrophobicContact CB-CG 4.08Å; K171-E195 WeakPolarHBondContact CD-OE2 3.27Å; E195-K197 HydrophobicContact CG-CB 4.07Å; E195-K197 PolarHBondContact O-N 3.38Å; E195-K198 HydrophobicContact CB-CG 4.32Å; E195-K198 WeakPolarHBondContact O-CB 3.42Å; E195-K198 PolarHBondContact O-N 3.22Å |
| 196 | C | 93.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -52.4 | -33.2 | -174.9 | -70.1 | 0 | 0 | 0 | 0 | 113.6 | L42 P173 C175 Y194 K198 E199 | L42-C196 HydrophobicContact CD2-CB 4.2Å; L42-C196 WeakPolarHBondContact CD2-O 3.37Å; P173-C196 VanDerWaalsContact C-SG 3.53Å; P173-C196 HydrophobicContact CG-CB 4.21Å; P173-C196 WeakPolarHBondContact O-CB 3.32Å; P173-C196 PolarHBondContact O-N 2.77Å; P173-C196 PolarHBondContact O-SG 2.87Å; C175-C196 HydrophobicContact CB-CB 4.03Å; C175-C196 WeakPolarHBondContact CB-SG 3.34Å; C175-C196 PolarHBondContact N-SG 2.8Å; C175-C196 VanDerWaalsContact SG-CA 3.5Å; C175-C196 WeakPolarHBondContact SG-CB 3.28Å; C175-C196 CovalentContact SG-SG 2.03Å; C175-C196 PolarHBondContact SG-SG 2.04Å; Y194-C196 PolarHBondContact O-N 3.09Å; C196-K198 PolarHBondContact O-N 2.96Å; C196-K198 VanDerWaalsContact O-N 3.15Å; C196-E199 PolarHBondContact O-N 3.4Å |
| 197 | K | 90.6 | Very high | 93.1 | Very high | 164 Ų | 164 | 43.9 Ų | 43.9 | 71% | 0.713 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -59.7 | -22.4 | 177.6 | -171.1 | 177.4 | 177.5 | -175.9 | 0 | 114 | E195 E199 | E195-K197 HydrophobicContact CG-CB 4.07Å; E195-K197 PolarHBondContact O-N 3.38Å; K197-E199 PolarHBondContact O-N 3.38Å |
| 198 | K | 92.3 | Very high | 93.2 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 55% | 0.548 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -73.8 | -18.9 | 174.7 | -62.6 | -173.2 | -179.2 | -176 | 0 | 112.9 | Y194 E195 C196 E200 | Y194-K198 HydrophobicContact CD2-CB 4.31Å; E195-K198 HydrophobicContact CB-CG 4.32Å; E195-K198 WeakPolarHBondContact O-CB 3.42Å; E195-K198 PolarHBondContact O-N 3.22Å; C196-K198 PolarHBondContact O-N 2.96Å; C196-K198 VanDerWaalsContact O-N 3.15Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 HydrophobicContact CB-CG 3.85Å; K198-E200 VanDerWaalsContact CD-OE1 3.24Å; K198-E200 WeakPolarHBondContact CD-OE1 3.34Å; K198-E200 PolarHBondContact O-N 2.93Å |
| 199 | E | 91.3 | Very high | 93.1 | Very high | 58 Ų | 58 | 46 Ų | 46 | 27% | 0.271 | 22% | 0.217 | S | C | . | . | trans | 50.3 | 48.3 | 176.1 | -59.1 | 172.1 | 174.9 | 0 | 0 | 112.9 | K32 L42 C196 K197 F201 | K32-E199 HydrophobicContact CD-CB 4.4Å; K32-E199 WeakPolarHBondContact CE-OE2 3.35Å; K32-E199 PolarHBondContact NZ-O 3.46Å; K32-E199 IonicContact NZ-OE2 2.99Å; K32-E199 PolarHBondContact NZ-OE2 3.42Å; K32-E199 VanDerWaalsContact NZ-OE2 3.12Å; L42-E199 HydrophobicContact CD1-CG 4.46Å; L42-E199 HydrophobicContact CD2-CG 4.18Å; C196-E199 PolarHBondContact O-N 3.4Å; K197-E199 PolarHBondContact O-N 3.38Å; E199-F201 HydrophobicContact CB-CD1 4.35Å; E199-F201 HydrophobicContact CB-CE1 3.77Å; E199-F201 HydrophobicContact CB-CZ 4.22Å; E199-F201 HydrophobicContact CG-CE1 4.17Å; E199-F201 HydrophobicContact CG-CZ 4.44Å; E199-F201 PolarHBondContact O-N 2.94Å | ||
| 200 | E | 94.1 | Very high | 92.8 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | trans | -76.6 | 44.4 | -176.8 | -59.6 | -173.7 | -167.2 | 0 | 0 | 113.2 | N177 Y194 K198 | N177-E200 PolarHBondContact ND2-O 3.26Å; Y194-E200 HydrophobicContact CD1-CB 4.19Å; Y194-E200 HydrophobicContact CD2-CB 3.88Å; Y194-E200 HydrophobicContact CD2-CG 3.89Å; Y194-E200 HydrophobicContact CE1-CB 4.12Å; Y194-E200 HydrophobicContact CE2-CB 3.83Å; Y194-E200 HydrophobicContact CE2-CG 4.27Å; Y194-E200 HydrophobicContact CG-CB 4.09Å; Y194-E200 HydrophobicContact CG-CG 4.14Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 HydrophobicContact CB-CG 3.85Å; K198-E200 VanDerWaalsContact CD-OE1 3.24Å; K198-E200 WeakPolarHBondContact CD-OE1 3.34Å; K198-E200 PolarHBondContact O-N 2.93Å | ||
| 201 | F | 93.7 | Very high | 92.3 | Very high | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.026 | 21% | 0.211 | C | C | . | . | trans | -132.5 | 155.3 | 179.3 | 59.7 | -92.7 | 0 | 0 | 0 | 111 | K32 I35 L42 L46 L87 N177 E199 Y203 F204 | K32-F201 HydrophobicContact CB-CD2 4.36Å; K32-F201 HydrophobicContact CB-CE2 4.12Å; K32-F201 HydrophobicContact CD-CD2 4.48Å; K32-F201 HydrophobicContact CD-CE2 4.29Å; K32-F201 VanDerWaalsContact CD-O 3.28Å; K32-F201 WeakPolarHBondContact CD-O 3.36Å; K32-F201 HydrophobicContact CG-CD2 4.48Å; K32-F201 HydrophobicContact CG-CE2 3.98Å; I35-F201 HydrophobicContact CD1-CE2 3.78Å; I35-F201 HydrophobicContact CD1-CZ 3.94Å; L42-F201 HydrophobicContact CD2-CE1 3.81Å; L42-F201 HydrophobicContact CD2-CZ 4.18Å; L46-F201 HydrophobicContact CD1-CZ 4.49Å; L87-F201 HydrophobicContact CB-CB 4.15Å; L87-F201 HydrophobicContact CB-CD1 3.97Å; L87-F201 HydrophobicContact CB-CD2 4.07Å; L87-F201 HydrophobicContact CB-CE1 4.36Å; L87-F201 HydrophobicContact CB-CE2 4.46Å; L87-F201 HydrophobicContact CB-CG 3.8Å; L87-F201 HydrophobicContact CD1-CD1 4.02Å; L87-F201 HydrophobicContact CD1-CE1 4.28Å; L87-F201 HydrophobicContact CD2-CD1 4.46Å; L87-F201 HydrophobicContact CD2-CE1 4.09Å; L87-F201 HydrophobicContact CD2-CZ 4.23Å; L87-F201 HydrophobicContact CG-CD1 4.37Å; L87-F201 HydrophobicContact CG-CE1 4.48Å; N177-F201 WeakPolarHBondContact OD1-CB 3.07Å; E199-F201 HydrophobicContact CB-CD1 4.35Å; E199-F201 HydrophobicContact CB-CE1 3.77Å; E199-F201 HydrophobicContact CB-CZ 4.22Å; E199-F201 HydrophobicContact CG-CE1 4.17Å; E199-F201 HydrophobicContact CG-CZ 4.44Å; E199-F201 PolarHBondContact O-N 2.94Å; F201-Y203 VanDerWaalsContact CD2-O 3.25Å; F201-Y203 WeakPolarHBondContact CD2-O 3.39Å; F201-F204 HydrophobicContact CE2-CB 4.49Å | ||
| 202 | D | 92 | Very high | 91.8 | Very high | 65 Ų | 65 | 48.9 Ų | 48.9 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -92.9 | -35.5 | 178.5 | -51.1 | -50.4 | 0 | 0 | 0 | 110.7 | K32 R85 | K32-D202 WeakPolarHBondContact CB-O 3.45Å; K32-D202 PolarHBondContact N-O 3.5Å; R85-D202 VanDerWaalsContact CB-OD2 3.32Å; R85-D202 WeakPolarHBondContact CB-OD2 3.24Å; R85-D202 PolarHBondContact N-OD2 3.44Å; R85-D202 PolarHBondContact O-N 3.37Å |
| 203 | Y | 92.5 | Very high | 91.2 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 159.6 | -178.4 | -60.4 | -94.4 | 0 | 0 | 0 | 111.1 | F29 V30 P31 M81 Y84 R85 I86 L87 F201 | F29-Y203 HydrophobicContact CB-CD1 4.23Å; V30-Y203 VanDerWaalsContact O-CA 3.27Å; V30-Y203 WeakPolarHBondContact O-CA 3.47Å; P31-Y203 HydrophobicContact CB-CD1 4.24Å; P31-Y203 HydrophobicContact CB-CE1 4.04Å; P31-Y203 HydrophobicContact CG-CD1 4.22Å; P31-Y203 HydrophobicContact CG-CE1 3.86Å; M81-Y203 HydrophobicContact CE-CE2 4.06Å; M81-Y203 WeakPolarHBondContact CE-OH 3.25Å; M81-Y203 HydrophobicContact SD-CE2 4.47Å; Y84-Y203 HydrophobicContact CD1-CD2 4.42Å; Y84-Y203 AromaticContact CD1-CE2 3.82Å; Y84-Y203 HydrophobicContact CD1-CE2 3.82Å; Y84-Y203 HydrophobicContact CD2-CD2 4.38Å; Y84-Y203 HydrophobicContact CD2-CE2 4.23Å; Y84-Y203 AromaticContact CE1-CE2 3.88Å; Y84-Y203 HydrophobicContact CE1-CE2 3.88Å; Y84-Y203 HydrophobicContact CE2-CE2 4.28Å; Y84-Y203 HydrophobicContact CG-CD2 4.16Å; Y84-Y203 AromaticContact CG-CE2 3.98Å; Y84-Y203 HydrophobicContact CG-CE2 3.98Å; R85-Y203 PolarHBondContact O-N 3.03Å; R85-Y203 VanDerWaalsContact O-N 3.09Å; I86-Y203 CarbonylContact C-O 3.51Å; I86-Y203 VanDerWaalsContact CA-O 3.27Å; I86-Y203 WeakPolarHBondContact CA-O 3.4Å; L87-Y203 PolarHBondContact N-O 2.98Å; F201-Y203 VanDerWaalsContact CD2-O 3.25Å; F201-Y203 WeakPolarHBondContact CD2-O 3.39Å |
| 204 | F | 93.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 165.1 | 158.3 | 68.1 | -80 | 0 | 0 | 0 | 108.7 | F29 V30 I35 L46 F49 L59 L87 F201 | F29-F204 CarbonylContact C-O 3.52Å; F29-F204 WeakPolarHBondContact CA-O 3.39Å; V30-F204 HydrophobicContact CB-CD1 3.92Å; V30-F204 HydrophobicContact CB-CD2 4.34Å; V30-F204 HydrophobicContact CB-CE1 3.41Å; V30-F204 VanDerWaalsContact CB-CE1 3.41Å; V30-F204 HydrophobicContact CB-CE2 3.91Å; V30-F204 HydrophobicContact CB-CG 4.37Å; V30-F204 HydrophobicContact CB-CZ 3.44Å; V30-F204 VanDerWaalsContact CB-CZ 3.44Å; V30-F204 HydrophobicContact CG1-CD1 4.32Å; V30-F204 HydrophobicContact CG1-CE1 3.38Å; V30-F204 HydrophobicContact CG1-CE2 4.34Å; V30-F204 HydrophobicContact CG1-CZ 3.42Å; V30-F204 VanDerWaalsContact CG1-CZ 3.42Å; V30-F204 HydrophobicContact CG2-CE1 4.36Å; V30-F204 HydrophobicContact CG2-CE2 3.99Å; V30-F204 HydrophobicContact CG2-CZ 3.89Å; V30-F204 PolarHBondContact N-O 3.49Å; V30-F204 WeakPolarHBondContact O-CD1 3.49Å; V30-F204 PolarHBondContact O-N 2.94Å; I35-F204 HydrophobicContact CD1-CD1 3.93Å; I35-F204 HydrophobicContact CD1-CE1 3.97Å; I35-F204 HydrophobicContact CG1-CD1 3.89Å; I35-F204 HydrophobicContact CG1-CE1 3.39Å; I35-F204 HydrophobicContact CG1-CZ 4.27Å; L46-F204 HydrophobicContact CB-CD2 4.47Å; L46-F204 HydrophobicContact CD1-CB 4.28Å; L46-F204 HydrophobicContact CD1-CG 4.29Å; L46-F204 HydrophobicContact CD2-CD1 3.91Å; L46-F204 HydrophobicContact CD2-CD2 4.05Å; L46-F204 HydrophobicContact CD2-CE1 3.83Å; L46-F204 HydrophobicContact CD2-CE2 3.94Å; L46-F204 HydrophobicContact CD2-CG 4.01Å; L46-F204 HydrophobicContact CD2-CZ 3.81Å; F49-F204 AromaticContact CD1-CE2 3.72Å; F49-F204 HydrophobicContact CD1-CE2 3.72Å; F49-F204 AromaticContact CD1-CZ 3.51Å; F49-F204 HydrophobicContact CD1-CZ 3.51Å; F49-F204 HydrophobicContact CE1-CE2 4.16Å; F49-F204 AromaticContact CE1-CZ 3.69Å; F49-F204 HydrophobicContact CE1-CZ 3.69Å; F49-F204 HydrophobicContact CG-CE2 4.46Å; F49-F204 HydrophobicContact CG-CZ 4.08Å; F49-F204 HydrophobicContact CZ-CZ 4.36Å; L59-F204 HydrophobicContact CD1-CB 4.45Å; L59-F204 HydrophobicContact CD1-CD2 3.62Å; L59-F204 HydrophobicContact CD1-CE2 4.37Å; L59-F204 HydrophobicContact CD1-CG 4.45Å; L87-F204 HydrophobicContact CB-CB 4.06Å; L87-F204 HydrophobicContact CD2-CB 4.37Å; F201-F204 HydrophobicContact CE2-CB 4.49Å |
| 205 | A | 93.5 | Very high | 90 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 133.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | V27 S28 F29 M60 W62 I86 | V27-A205 HydrophobicContact CG1-CB 4Å; S28-A205 CarbonylContact O-C 3.52Å; S28-A205 WeakPolarHBondContact O-CA 3.09Å; F29-A205 HydrophobicContact CD1-CB 3.72Å; F29-A205 HydrophobicContact CE1-CB 3.99Å; M60-A205 HydrophobicContact CB-CB 3.87Å; M60-A205 WeakPolarHBondContact CB-O 3.47Å; M60-A205 PolarHBondContact N-O 3.48Å; W62-A205 HydrophobicContact CH2-CB 3.43Å; W62-A205 VanDerWaalsContact CH2-CB 3.43Å; W62-A205 HydrophobicContact CZ2-CB 4.4Å; W62-A205 HydrophobicContact CZ3-CB 4.1Å; I86-A205 HydrophobicContact CG2-CB 3.97Å |
| 206 | C | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 122 | 172 | -61.5 | 0 | 0 | 0 | 0 | 109.9 | V27 S28 C50 F54 H58 | V27-C206 WeakPolarHBondContact CA-O 3.31Å; S28-C206 PolarHBondContact N-O 2.94Å; S28-C206 PolarHBondContact O-N 3.47Å; C50-C206 WeakPolarHBondContact CA-SG 3.44Å; C50-C206 HydrophobicContact CB-CB 3.71Å; C50-C206 WeakPolarHBondContact CB-SG 3.41Å; C50-C206 VanDerWaalsContact SG-CA 3.53Å; C50-C206 WeakPolarHBondContact SG-CB 3.28Å; C50-C206 CovalentContact SG-SG 2.04Å; C50-C206 PolarHBondContact SG-SG 3.31Å; F54-C206 HydrophobicContact CD2-CB 3.65Å; F54-C206 HydrophobicContact CE2-CB 3.74Å; H58-C206 CarbonylContact O-C 3.57Å; H58-C206 WeakPolarHBondContact O-CA 3.4Å |
| 207 | Q | 93.1 | Very high | 89.3 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 15% | 0.154 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 129.2 | 166.8 | -177.1 | -177.9 | -81.2 | 0 | 0 | 109.2 | K25 C26 G57 H58 M60 | K25-Q207 HydrophobicContact CB-CG 4.35Å; K25-Q207 HydrophobicContact CD-CG 3.71Å; C26-Q207 CarbonylContact O-C 3.55Å; C26-Q207 WeakPolarHBondContact O-CA 3.4Å; G57-Q207 CarbonylContact C-O 3.55Å; G57-Q207 VanDerWaalsContact CA-O 3.24Å; G57-Q207 WeakPolarHBondContact CA-O 3.37Å; H58-Q207 PolarHBondContact N-O 3.47Å; H58-Q207 PolarHBondContact O-N 2.99Å; M60-Q207 HydrophobicContact CB-CB 4.26Å; M60-Q207 HydrophobicContact SD-CB 3.83Å; M60-Q207 HydrophobicContact SD-CG 4.26Å; M60-Q207 PolarHBondContact SD-OE1 2.93Å |
| 208 | H | 92.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 172.5 | 179 | 63.4 | 85.6 | 0 | 0 | 0 | 112.7 | P9 C26 S28 F54 Y211 | P9-H208 WeakPolarHBondContact CD-CE1 3.4Å; C26-H208 WeakPolarHBondContact CB-CE1 3.1Å; C26-H208 WeakPolarHBondContact CB-NE2 3.45Å; C26-H208 PolarHBondContact N-O 3.44Å; C26-H208 PolarHBondContact O-N 3.37Å; S28-H208 PolarHBondContact OG-NE2 2.71Å; F54-H208 HydrophobicContact CB-CB 3.51Å; F54-H208 AromaticContact CD1-CD2 3.52Å; F54-H208 AromaticContact CD1-CE1 3.96Å; F54-H208 AromaticContact CD1-CG 3.99Å; F54-H208 AromaticContact CD1-NE2 3.53Å; F54-H208 AromaticContact CE1-NE2 3.97Å; F54-H208 HydrophobicContact CG-CB 4.34Å; F54-H208 AromaticContact CG-CD2 3.62Å; F54-H208 AromaticContact CG-CG 3.94Å; H208-Y211 AromaticContact CE1-CE2 3.51Å; H208-Y211 AromaticContact ND1-CE2 3.7Å |
| 209 | K | 89.3 | Confident | 89.2 | Confident | 140 Ų | 140 | 55.3 Ų | 55.3 | 61% | 0.609 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 152.6 | 177.2 | -65.4 | 179.4 | -177.8 | 174.9 | 0 | 111.2 | S55 | S55-K209 PolarHBondContact O-N 2.94Å |
| 210 | K | 87.6 | Confident | 89.1 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 144.6 | 168.9 | -57 | -173.1 | 171.1 | 177.9 | 0 | 110.8 | V6 D22 K23 | V6-K210 HydrophobicContact CB-CB 3.91Å; V6-K210 HydrophobicContact CB-CD 4.09Å; V6-K210 HydrophobicContact CG1-CB 4.42Å; V6-K210 HydrophobicContact CG2-CB 4.43Å; V6-K210 HydrophobicContact CG2-CD 3.66Å; D22-K210 WeakPolarHBondContact O-CE 2.99Å; D22-K210 PolarHBondContact O-NZ 2.03Å; K23-K210 PolarHBondContact O-NZ 3.12Å |
| 211 | Y | 85 | Confident | 88.8 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 8% | 0.078 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135.3 | 176.3 | -62.6 | -84.1 | 0 | 0 | 0 | 110.1 | V6 S7 P9 F54 H208 Y245 | V6-Y211 CarbonylContact C-O 3.48Å; V6-Y211 VanDerWaalsContact CA-O 3.26Å; V6-Y211 WeakPolarHBondContact CA-O 2.99Å; S7-Y211 PolarHBondContact N-O 3Å; S7-Y211 PolarHBondContact O-N 2.98Å; P9-Y211 HydrophobicContact CG-CE2 3.91Å; F54-Y211 WeakPolarHBondContact CA-OH 3.28Å; F54-Y211 WeakPolarHBondContact CD1-OH 3.42Å; H208-Y211 AromaticContact CE1-CE2 3.51Å; H208-Y211 AromaticContact ND1-CE2 3.7Å; Y211-Y245 HydrophobicContact CE2-CD2 4.17Å; Y211-Y245 AromaticContact CZ-CD2 3.9Å |
| 212 | K | 82.1 | Confident | 88.4 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 56% | 0.561 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 138.7 | 169 | -63.2 | -178.5 | -178.6 | 178.9 | 0 | 108.9 | ||
| 213 | A | 78.4 | Confident | 88.1 | Confident | 19 Ų | 19 | 59.8 Ų | 59.8 | 16% | 0.157 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 149.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q5 K215 L247 | Q5-A213 HydrophobicContact CB-CB 3.94Å; Q5-A213 WeakPolarHBondContact O-CB 3.38Å; Q5-A213 PolarHBondContact O-N 3.15Å; A213-K215 PolarHBondContact O-N 3.27Å; A213-L247 HydrophobicContact CB-CB 3.99Å; A213-L247 HydrophobicContact CB-CD1 4.13Å |
| 214 | C | 83.2 | Confident | 87.6 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -57.5 | 128.8 | 170.1 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | D240 P242 L247 C249 | C214-D240 WeakPolarHBondContact CA-O 3.23Å; C214-D240 PolarHBondContact SG-O 2.88Å; C214-P242 HydrophobicContact CB-CB 4.24Å; C214-L247 PolarHBondContact N-O 3.38Å; C214-L247 VanDerWaalsContact N-O 3.14Å; C214-C249 HydrophobicContact CB-CB 3.85Å; C214-C249 WeakPolarHBondContact CB-SG 2.81Å; C214-C249 VanDerWaalsContact SG-CA 3.53Å; C214-C249 WeakPolarHBondContact SG-CB 3Å; C214-C249 CovalentContact SG-SG 2.02Å; C214-C249 PolarHBondContact SG-SG 2.04Å |
| 215 | K | 81.9 | Confident | 87.2 | Confident | 115 Ų | 115 | 60.9 Ų | 60.9 | 50% | 0.5 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.5 | 173.3 | -168.7 | -176.8 | 176.4 | -168.2 | 0 | 108.9 | A213 I239 D240 | A213-K215 PolarHBondContact O-N 3.27Å; K215-I239 HydrophobicContact CB-CB 4.42Å; K215-I239 HydrophobicContact CD-CD1 4.25Å; K215-I239 HydrophobicContact CD-CG2 4.45Å; K215-I239 HydrophobicContact CG-CB 4.48Å; K215-I239 HydrophobicContact CG-CD1 4.34Å; K215-I239 PolarHBondContact O-N 3Å; K215-D240 HydrophobicContact CB-CB 3.96Å; K215-D240 PolarHBondContact N-O 2.86Å; K215-D240 PolarHBondContact O-N 3.5Å; K215-D240 VanDerWaalsContact O-N 3.1Å |
| 216 | M | 86.4 | Confident | 86.5 | Confident | 38 Ų | 38 | 67.1 Ų | 67.1 | 19% | 0.187 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138 | 179.9 | -178.3 | 179.1 | 69.1 | 0 | 0 | 108.8 | Y236 T237 Q252 | M216-Y236 HydrophobicContact CE-CD1 3.3Å; M216-Y236 HydrophobicContact CE-CE1 3.63Å; M216-Y236 HydrophobicContact CE-CG 4.12Å; M216-Y236 HydrophobicContact CG-CD1 4.08Å; M216-Y236 HydrophobicContact SD-CD1 3.48Å; M216-Y236 WeakPolarHBondContact SD-CD1 3.05Å; M216-Y236 HydrophobicContact SD-CE1 4.38Å; M216-Y236 HydrophobicContact SD-CG 3.77Å; M216-T237 CarbonylContact C-O 3.51Å; M216-T237 VanDerWaalsContact CA-O 3.31Å; M216-T237 WeakPolarHBondContact CA-O 3.34Å; M216-T237 WeakPolarHBondContact CG-O 3.24Å; M216-Q252 HydrophobicContact CE-CG 4.24Å; M216-Q252 HydrophobicContact SD-CG 4.24Å |
| 217 | E | 87.8 | Confident | 85.9 | Confident | 117 Ų | 117 | 75.1 Ų | 75.1 | 55% | 0.547 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.9 | 168 | -90.6 | 172.9 | -165.4 | 0 | 0 | 109.8 | Y236 T237 I239 | E217-Y236 WeakPolarHBondContact O-CA 3.44Å; E217-T237 PolarHBondContact N-O 3.32Å; E217-T237 PolarHBondContact O-N 3.48Å; E217-I239 HydrophobicContact CB-CD1 4.21Å; E217-I239 HydrophobicContact CG-CD1 3.57Å; E217-I239 WeakPolarHBondContact OE1-CD1 3.47Å |
| 218 | E | 90.3 | Very high | 85.4 | Confident | 104 Ų | 104 | 77.4 Ų | 77.4 | 49% | 0.486 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130 | 172.6 | 68.1 | 177.2 | -162 | 0 | 0 | 109.7 | W234 K235 Y236 K253 | E218-W234 HydrophobicContact CB-CE3 4.39Å; E218-W234 HydrophobicContact CG-CZ3 4.38Å; E218-K235 WeakPolarHBondContact CA-O 3.02Å; E218-Y236 HydrophobicContact CB-CD1 3.82Å; E218-Y236 HydrophobicContact CB-CE1 3.52Å; E218-K253 IonicContact OE1-NZ 3.31Å; E218-K253 PolarHBondContact OE1-NZ 3.2Å; E218-K253 IonicContact OE2-NZ 3.41Å |
| 219 | K | 90.7 | Very high | 84.8 | Confident | 121 Ų | 121 | 82.1 Ų | 82.1 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 128.4 | 174.2 | -170.2 | -178 | 177 | -159.9 | 0 | 108.7 | E221 K235 | K219-E221 HydrophobicContact CD-CB 4.39Å; K219-E221 WeakPolarHBondContact CD-OE2 3.12Å; K219-E221 WeakPolarHBondContact CE-OE2 3.15Å; K219-E221 HydrophobicContact CG-CB 4.29Å; K219-E221 IonicContact NZ-OE1 2.69Å; K219-E221 IonicContact NZ-OE2 2.7Å; K219-E221 PolarHBondContact NZ-OE2 3.23Å; K219-E221 PolarHBondContact O-N 2.83Å; K219-E221 VanDerWaalsContact O-N 3.12Å; K219-K235 PolarHBondContact N-O 2.75Å; K219-K235 PolarHBondContact O-N 2.74Å |
| 220 | K | 90.2 | Very high | 84.6 | Confident | 144 Ų | 144 | 78 Ų | 78 | 63% | 0.626 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 92 | 173.9 | -166.5 | -179 | -176.8 | -178.1 | 0 | 108.7 | L233 W234 | K220-L233 CarbonylContact C-O 3.53Å; K220-L233 HydrophobicContact CG-CD1 4.21Å; K220-L233 HydrophobicContact CG-CG 4.09Å; K220-W234 HydrophobicContact CB-CE3 4.09Å; K220-W234 HydrophobicContact CB-CH2 4.03Å; K220-W234 HydrophobicContact CB-CZ3 3.73Å; K220-W234 HydrophobicContact CD-CH2 4.15Å; K220-W234 HydrophobicContact CD-CZ2 4.31Å; K220-W234 HydrophobicContact CG-CE3 4.49Å; K220-W234 HydrophobicContact CG-CH2 4.11Å; K220-W234 HydrophobicContact CG-CZ2 4.27Å; K220-W234 HydrophobicContact CG-CZ3 4.23Å |
| 221 | E | 86.5 | Confident | 84.5 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 38% | 0.379 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 120.4 | -178.5 | -179.1 | 174.7 | -162.1 | 0 | 0 | 108.2 | K219 H223 L233 | K219-E221 HydrophobicContact CD-CB 4.39Å; K219-E221 WeakPolarHBondContact CD-OE2 3.12Å; K219-E221 WeakPolarHBondContact CE-OE2 3.15Å; K219-E221 HydrophobicContact CG-CB 4.29Å; K219-E221 IonicContact NZ-OE1 2.69Å; K219-E221 IonicContact NZ-OE2 2.7Å; K219-E221 PolarHBondContact NZ-OE2 3.23Å; K219-E221 PolarHBondContact O-N 2.83Å; K219-E221 VanDerWaalsContact O-N 3.12Å; E221-H223 PolarHBondContact O-N 3.33Å; E221-H223 PolarHBondContact O-ND1 2.98Å; E221-L233 CarbonylContact C-O 3.54Å; E221-L233 VanDerWaalsContact C-O 3.24Å; E221-L233 PolarHBondContact N-O 3.22Å; E221-L233 CarbonylContact O-C 3.51Å |
| 222 | C | 86.3 | Confident | 84.7 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 21% | 0.209 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 125.1 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | R232 C257 E258 | C222-R232 WeakPolarHBondContact CA-O 3.34Å; C222-C257 WeakPolarHBondContact CA-SG 3.42Å; C222-C257 HydrophobicContact CB-CB 3.87Å; C222-C257 WeakPolarHBondContact CB-SG 3.42Å; C222-C257 WeakPolarHBondContact SG-CB 3.42Å; C222-C257 CovalentContact SG-SG 2.02Å; C222-C257 PolarHBondContact SG-SG 2.8Å; C222-E258 PolarHBondContact SG-O 3.21Å |
| 223 | H | 85.4 | Confident | 85 | Confident | 49 Ų | 49 | 71.3 Ų | 71.3 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 157.7 | -179 | 72.7 | -66.7 | 0 | 0 | 0 | 110.8 | E221 C231 R232 W234 | E221-H223 PolarHBondContact O-N 3.33Å; E221-H223 PolarHBondContact O-ND1 2.98Å; H223-C231 CarbonylContact O-C 3.6Å; H223-C231 VanDerWaalsContact O-CA 3.24Å; H223-C231 WeakPolarHBondContact O-CA 3.26Å; H223-R232 PolarHBondContact N-O 2.76Å; H223-R232 PolarHBondContact ND1-O 2.79Å; H223-R232 VanDerWaalsContact ND1-O 3.14Å; H223-R232 PolarHBondContact O-N 3.12Å; H223-W234 PolarHBondContact CE1-O 2.03Å |
| 224 | Y | 82.7 | Confident | 85.6 | Confident | 35 Ų | 35 | 72.1 Ų | 72.1 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 125.2 | 173.6 | -171.7 | -100.8 | 0 | 0 | 0 | 110.7 | N229 K286 | Y224-N229 PolarHBondContact OH-OD1 3.45Å; Y224-K286 HydrophobicContact CD2-CB 4.36Å; Y224-K286 HydrophobicContact CD2-CD 4.13Å; Y224-K286 HydrophobicContact CE2-CD 4.23Å |
| 225 | S | 84.5 | Confident | 85.8 | Confident | 21 Ų | 21 | 75.9 Ų | 75.9 | 15% | 0.147 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | K227 H228 N229 E230 | S225-K227 PolarHBondContact O-N 2.77Å; S225-H228 PolarHBondContact O-N 3.17Å; S225-N229 PolarHBondContact O-N 2.87Å; S225-E230 WeakPolarHBondContact CB-O 3.31Å; S225-E230 PolarHBondContact N-O 3.02Å |
| 226 | E | 79.4 | Confident | 86.1 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 62% | 0.617 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -37.9 | 177.5 | -62.3 | -165.3 | 142.5 | 0 | 0 | 112.3 | H228 N229 R290 | E226-H228 PolarHBondContact O-N 3.18Å; E226-N229 PolarHBondContact O-N 2.81Å; E226-R290 IonicContact OE1-NH2 3.75Å |
| 227 | K | 81.4 | Confident | 86.1 | Confident | 169 Ų | 169 | 74.1 Ų | 74.1 | 74% | 0.735 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -33.1 | 179.3 | -177.1 | -179.2 | 175.5 | -172.6 | 0 | 113 | S225 | S225-K227 PolarHBondContact O-N 2.77Š|
| 228 | H | 81.5 | Confident | 86 | Confident | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.375 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -5.5 | -176.9 | -64.8 | -78.9 | 0 | 0 | 0 | 113.5 | S225 E226 E230 | S225-H228 PolarHBondContact O-N 3.17Å; E226-H228 PolarHBondContact O-N 3.18Å; H228-E230 HydrophobicContact CB-CG 3.88Å; H228-E230 PolarHBondContact O-N 3.43Å |
| 229 | N | 81 | Confident | 85.8 | Confident | 104 Ų | 104 | 71 Ų | 71 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31.5 | -175.5 | -154.1 | 50.7 | 0 | 0 | 0 | 113.7 | Y224 S225 E226 | Y224-N229 PolarHBondContact OH-OD1 3.45Å; S225-N229 PolarHBondContact O-N 2.87Å; E226-N229 PolarHBondContact O-N 2.81Å |
| 230 | E | 84.4 | Confident | 85.2 | Confident | 52 Ų | 52 | 67.7 Ų | 67.7 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 164.6 | -178.6 | 65.3 | -176.8 | 179.6 | 0 | 0 | 111.9 | S225 H228 R232 K256 | S225-E230 WeakPolarHBondContact CB-O 3.31Å; S225-E230 PolarHBondContact N-O 3.02Å; H228-E230 HydrophobicContact CB-CG 3.88Å; H228-E230 PolarHBondContact O-N 3.43Å; E230-R232 IonicContact OE1-CZ 3.86Å; E230-R232 IonicContact OE1-NE 3.93Å; E230-R232 IonicContact OE1-NH1 3.59Å; E230-R232 PolarHBondContact OE1-NH1 2.99Å; E230-R232 IonicContact OE1-NH2 2.79Å; E230-R232 PolarHBondContact OE1-NH2 2.92Å; E230-K256 WeakPolarHBondContact OE1-CE 3.38Å; E230-K256 IonicContact OE1-NZ 2.76Å; E230-K256 VanDerWaalsContact OE2-CE 3.24Å; E230-K256 WeakPolarHBondContact OE2-CE 3.45Å; E230-K256 IonicContact OE2-NZ 3.38Å; E230-K256 PolarHBondContact OE2-NZ 3.08Å |
| 231 | C | 85.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 65.2 Ų | 65.2 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 137.6 | 178.8 | -68.9 | 0 | 0 | 0 | 0 | 112.9 | H223 C257 C259 | H223-C231 CarbonylContact O-C 3.6Å; H223-C231 VanDerWaalsContact O-CA 3.24Å; H223-C231 WeakPolarHBondContact O-CA 3.26Å; C231-C257 WeakPolarHBondContact CB-O 3.14Å; C231-C259 HydrophobicContact CB-CB 4.08Å; C231-C259 WeakPolarHBondContact CB-SG 3.1Å; C231-C259 WeakPolarHBondContact SG-CA 3.42Å; C231-C259 WeakPolarHBondContact SG-CB 3.5Å; C231-C259 CovalentContact SG-SG 2.01Å; C231-C259 PolarHBondContact SG-SG 2.81Å |
| 232 | R | 88 | Confident | 84.2 | Confident | 24 Ų | 24 | 64.7 Ų | 64.7 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 140.9 | -178.3 | -64.2 | -69.4 | -167.1 | -174.6 | -5.2 | 110.2 | C222 H223 E230 W234 E254 C257 | C222-R232 WeakPolarHBondContact CA-O 3.34Å; H223-R232 PolarHBondContact N-O 2.76Å; H223-R232 PolarHBondContact ND1-O 2.79Å; H223-R232 VanDerWaalsContact ND1-O 3.14Å; H223-R232 PolarHBondContact O-N 3.12Å; E230-R232 IonicContact OE1-CZ 3.86Å; E230-R232 IonicContact OE1-NE 3.93Å; E230-R232 IonicContact OE1-NH1 3.59Å; E230-R232 PolarHBondContact OE1-NH1 2.99Å; E230-R232 IonicContact OE1-NH2 2.79Å; E230-R232 PolarHBondContact OE1-NH2 2.92Å; R232-W234 VanDerWaalsContact C-N 3.28Å; R232-W234 PolarHBondContact O-N 2.99Å; R232-E254 PolarHBondContact NH1-O 3.34Å; R232-C257 PolarHBondContact O-SG 2.69Å; R232-C257 VanDerWaalsContact O-SG 3.34Å |
| 233 | L | 90.2 | Very high | 83.7 | Confident | 37 Ų | 37 | 65.6 Ų | 65.6 | 19% | 0.194 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -22.5 | -177.3 | -175.3 | 58.3 | 0 | 0 | 0 | 113.1 | K220 E221 E255 C257 | K220-L233 CarbonylContact C-O 3.53Å; K220-L233 HydrophobicContact CG-CD1 4.21Å; K220-L233 HydrophobicContact CG-CG 4.09Å; E221-L233 CarbonylContact C-O 3.54Å; E221-L233 VanDerWaalsContact C-O 3.24Å; E221-L233 PolarHBondContact N-O 3.22Å; E221-L233 CarbonylContact O-C 3.51Å; L233-E255 HydrophobicContact CB-CB 4.32Å; L233-E255 PolarHBondContact N-O 3.48Å; L233-C257 VanDerWaalsContact CA-SG 3.57Å; L233-C257 HydrophobicContact CB-CB 4.09Å; L233-C257 HydrophobicContact CD1-CB 4.14Å; L233-C257 PolarHBondContact N-SG 3.19Å |
| 234 | W | 89.6 | Confident | 83.4 | Confident | 36 Ų | 36 | 70.4 Ų | 70.4 | 14% | 0.136 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 117.3 | -171.5 | -64 | 96.4 | 0 | 0 | 0 | 110.9 | E218 K220 H223 R232 Y236 K253 E255 | E218-W234 HydrophobicContact CB-CE3 4.39Å; E218-W234 HydrophobicContact CG-CZ3 4.38Å; K220-W234 HydrophobicContact CB-CE3 4.09Å; K220-W234 HydrophobicContact CB-CH2 4.03Å; K220-W234 HydrophobicContact CB-CZ3 3.73Å; K220-W234 HydrophobicContact CD-CH2 4.15Å; K220-W234 HydrophobicContact CD-CZ2 4.31Å; K220-W234 HydrophobicContact CG-CE3 4.49Å; K220-W234 HydrophobicContact CG-CH2 4.11Å; K220-W234 HydrophobicContact CG-CZ2 4.27Å; K220-W234 HydrophobicContact CG-CZ3 4.23Å; H223-W234 PolarHBondContact CE1-O 2.03Å; R232-W234 VanDerWaalsContact C-N 3.28Å; R232-W234 PolarHBondContact O-N 2.99Å; W234-Y236 HydrophobicContact CB-CD2 4.47Å; W234-Y236 HydrophobicContact CB-CE2 3.61Å; W234-Y236 WeakPolarHBondContact CB-OH 3.49Å; W234-K253 HydrophobicContact CD2-CD 4.19Å; W234-K253 HydrophobicContact CG-CB 4.24Å; W234-K253 HydrophobicContact CG-CD 4.46Å; W234-K253 HydrophobicContact CZ2-CD 4.11Å; W234-E255 PolarHBondContact NE1-OE2 3.37Å |
| 235 | K | 88.1 | Confident | 83.1 | Confident | 96 Ų | 96 | 69.4 Ų | 69.4 | 42% | 0.417 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.7 | 171.6 | -174.2 | 172.5 | -178.8 | 174.9 | 0 | 109.6 | E218 K219 | E218-K235 WeakPolarHBondContact CA-O 3.02Å; K219-K235 PolarHBondContact N-O 2.75Å; K219-K235 PolarHBondContact O-N 2.74Å |
| 236 | Y | 88.4 | Confident | 82.6 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 123.5 | -176.6 | -67.8 | -69 | 0 | 0 | 0 | 110.9 | M216 E217 E218 W234 Q252 K253 | M216-Y236 HydrophobicContact CE-CD1 3.3Å; M216-Y236 HydrophobicContact CE-CE1 3.63Å; M216-Y236 HydrophobicContact CE-CG 4.12Å; M216-Y236 HydrophobicContact CG-CD1 4.08Å; M216-Y236 HydrophobicContact SD-CD1 3.48Å; M216-Y236 WeakPolarHBondContact SD-CD1 3.05Å; M216-Y236 HydrophobicContact SD-CE1 4.38Å; M216-Y236 HydrophobicContact SD-CG 3.77Å; E217-Y236 WeakPolarHBondContact O-CA 3.44Å; E218-Y236 HydrophobicContact CB-CD1 3.82Å; E218-Y236 HydrophobicContact CB-CE1 3.52Å; W234-Y236 HydrophobicContact CB-CD2 4.47Å; W234-Y236 HydrophobicContact CB-CE2 3.61Å; W234-Y236 WeakPolarHBondContact CB-OH 3.49Å; Y236-Q252 HydrophobicContact CD1-CG 4.34Å; Y236-Q252 HydrophobicContact CD2-CB 3.93Å; Y236-Q252 HydrophobicContact CD2-CG 3.66Å; Y236-Q252 HydrophobicContact CE1-CG 4.43Å; Y236-Q252 HydrophobicContact CE2-CB 3.56Å; Y236-Q252 HydrophobicContact CE2-CG 3.8Å; Y236-Q252 HydrophobicContact CG-CG 3.96Å; Y236-K253 VanDerWaalsContact OH-CB 3.31Å; Y236-K253 WeakPolarHBondContact OH-CB 3.42Å; Y236-K253 PolarHBondContact OH-N 3.47Å |
| 237 | T | 86.3 | Confident | 82.5 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 47% | 0.466 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.4 | 173.3 | -54.7 | 0 | 0 | 0 | 0 | 109 | M216 E217 I239 | M216-T237 CarbonylContact C-O 3.51Å; M216-T237 VanDerWaalsContact CA-O 3.31Å; M216-T237 WeakPolarHBondContact CA-O 3.34Å; M216-T237 WeakPolarHBondContact CG-O 3.24Å; E217-T237 PolarHBondContact N-O 3.32Å; E217-T237 PolarHBondContact O-N 3.48Å; T237-I239 PolarHBondContact O-N 3.25Å |
| 238 | I | 85.9 | Confident | 82.4 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 44% | 0.436 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 117.3 | 175.7 | -60.6 | 176.2 | 0 | 0 | 0 | 108 | P241 | I238-P241 HydrophobicContact CG2-CB 4.27Å |
| 239 | I | 84.6 | Confident | 82.5 | Confident | 70 Ų | 70 | 59 Ų | 59 | 36% | 0.359 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -49.4 | 177.8 | -62 | 168.4 | 0 | 0 | 0 | 109.9 | K215 E217 T237 | K215-I239 HydrophobicContact CB-CB 4.42Å; K215-I239 HydrophobicContact CD-CD1 4.25Å; K215-I239 HydrophobicContact CD-CG2 4.45Å; K215-I239 HydrophobicContact CG-CB 4.48Å; K215-I239 HydrophobicContact CG-CD1 4.34Å; K215-I239 PolarHBondContact O-N 3Å; E217-I239 HydrophobicContact CB-CD1 4.21Å; E217-I239 HydrophobicContact CG-CD1 3.57Å; E217-I239 WeakPolarHBondContact OE1-CD1 3.47Å; T237-I239 PolarHBondContact O-N 3.25Å |
| 240 | D | 80.1 | Confident | 82.6 | Confident | 53 Ų | 53 | 62.8 Ų | 62.8 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114.5 | 173.7 | -69.6 | -62.4 | 0 | 0 | 0 | 107.6 | C214 K215 | C214-D240 WeakPolarHBondContact CA-O 3.23Å; C214-D240 PolarHBondContact SG-O 2.88Å; K215-D240 HydrophobicContact CB-CB 3.96Å; K215-D240 PolarHBondContact N-O 2.86Å; K215-D240 PolarHBondContact O-N 3.5Å; K215-D240 VanDerWaalsContact O-N 3.1Å |
| 241 | P | 77.5 | Confident | 82.6 | Confident | 91 Ų | 91 | 69 Ų | 69 | 59% | 0.591 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 153.4 | -179.5 | 27.6 | -34.1 | 0 | 0 | 0 | 111.8 | I238 S243 | I238-P241 HydrophobicContact CG2-CB 4.27Å; P241-S243 PolarHBondContact O-N 2.93Å |
| 242 | P | 76.3 | Confident | 82.5 | Confident | 71 Ų | 71 | 72.4 Ų | 72.4 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 128.8 | 174.8 | 27.2 | -33.2 | 0 | 0 | 0 | 110 | C214 | C214-P242 HydrophobicContact CB-CB 4.24Š|
| 243 | S | 77.1 | Confident | 82.4 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 154.4 | 172.5 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | P241 Y245 G246 | P241-S243 PolarHBondContact O-N 2.93Å; S243-Y245 PolarHBondContact O-N 3.35Å; S243-G246 PolarHBondContact O-N 2.91Å |
| 244 | K | 78.4 | Confident | 82.1 | Confident | 150 Ų | 150 | 79.3 Ų | 79.3 | 65% | 0.652 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.5 | -40.6 | 180 | -173.6 | 179.4 | -178.6 | -178.6 | 0 | 113.9 | E53 | E53-K244 IonicContact OE1-NZ 2.76Å; E53-K244 IonicContact OE2-NZ 3.31Å; E53-K244 PolarHBondContact OE2-NZ 3.38Å |
| 245 | Y | 77.3 | Confident | 82.1 | Confident | 15 Ų | 15 | 82.1 Ų | 82.1 | 6% | 0.059 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 7.6 | 177.9 | -52.7 | -59.1 | 0 | 0 | 0 | 113.7 | P9 S12 F17 E53 F54 Y211 S243 | P9-Y245 HydrophobicContact CB-CD1 4.37Å; P9-Y245 HydrophobicContact CB-CG 4.1Å; P9-Y245 HydrophobicContact CG-CD2 4.04Å; P9-Y245 HydrophobicContact CG-CG 3.87Å; S12-Y245 PolarHBondContact OG-O 2.8Å; F17-Y245 HydrophobicContact CD2-CD1 4.34Å; F17-Y245 AromaticContact CD2-CE1 3.81Å; F17-Y245 HydrophobicContact CD2-CE1 3.81Å; F17-Y245 HydrophobicContact CE2-CD1 4.35Å; F17-Y245 AromaticContact CE2-CE1 3.41Å; F17-Y245 HydrophobicContact CE2-CE1 3.41Å; F17-Y245 VanDerWaalsContact CE2-CE1 3.41Å; F17-Y245 AromaticContact CE2-CZ 3.62Å; F17-Y245 WeakPolarHBondContact CE2-OH 3.29Å; F17-Y245 HydrophobicContact CZ-CE1 4.26Å; F17-Y245 WeakPolarHBondContact CZ-OH 3.12Å; E53-Y245 WeakPolarHBondContact O-CE2 3.39Å; E53-Y245 PolarHBondContact OE2-OH 2.99Å; F54-Y245 HydrophobicContact CD1-CD2 4.03Å; F54-Y245 AromaticContact CD1-CE2 3.89Å; F54-Y245 HydrophobicContact CD1-CE2 3.89Å; F54-Y245 HydrophobicContact CE1-CD2 4.02Å; F54-Y245 AromaticContact CE1-CE2 3.7Å; F54-Y245 HydrophobicContact CE1-CE2 3.7Å; Y211-Y245 HydrophobicContact CE2-CD2 4.17Å; Y211-Y245 AromaticContact CZ-CD2 3.9Å; S243-Y245 PolarHBondContact O-N 3.35Å |
| 246 | G | 72.9 | Confident | 82.1 | Confident | 9 Ų | 9 | 84.2 Ų | 84.2 | 9% | 0.093 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -82.1 | 166.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | S243 | S243-G246 PolarHBondContact O-N 2.91Š|
| 247 | L | 78 | Confident | 81.9 | Confident | 45 Ų | 45 | 83.9 Ų | 83.9 | 24% | 0.236 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 131.3 | 173.5 | -68.4 | 171 | 0 | 0 | 0 | 110.9 | Q5 S7 A213 C214 | Q5-L247 VanDerWaalsContact CD-CD1 3.49Å; Q5-L247 HydrophobicContact CG-CD1 3.74Å; S7-L247 PolarHBondContact OG-N 3.22Å; A213-L247 HydrophobicContact CB-CB 3.99Å; A213-L247 HydrophobicContact CB-CD1 4.13Å; C214-L247 PolarHBondContact N-O 3.38Å; C214-L247 VanDerWaalsContact N-O 3.14Å |
| 248 | P | 79.5 | Confident | 81.7 | Confident | 98 Ų | 98 | 89 Ų | 89 | 64% | 0.636 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 160.7 | 175.5 | 28.8 | -34.8 | 0 | 0 | 0 | 110.7 | ||
| 249 | C | 82.4 | Confident | 81.4 | Confident | 32 Ų | 32 | 86.1 Ų | 86.1 | 22% | 0.216 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 152.4 | 173.8 | -44.4 | 0 | 0 | 0 | 0 | 110.2 | C214 | C214-C249 HydrophobicContact CB-CB 3.85Å; C214-C249 WeakPolarHBondContact CB-SG 2.81Å; C214-C249 VanDerWaalsContact SG-CA 3.53Å; C214-C249 WeakPolarHBondContact SG-CB 3Å; C214-C249 CovalentContact SG-SG 2.02Å; C214-C249 PolarHBondContact SG-SG 2.04Å |
| 250 | K | 83.5 | Confident | 80.9 | Confident | 184 Ų | 184 | 86.1 Ų | 86.1 | 80% | 0.8 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -53.5 | 143.1 | 172.1 | -68.8 | -179.4 | -180 | 179.6 | 0 | 110.1 | Q252 | K250-Q252 PolarHBondContact O-N 3.29Š|
| 251 | K | 83.8 | Confident | 80.7 | Confident | 183 Ų | 183 | 85.5 Ų | 85.5 | 80% | 0.796 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 126.4 | 176.9 | -170.8 | 176 | 179.9 | -178.6 | 0 | 109.2 | ||
| 252 | Q | 85.5 | Confident | 80.3 | Confident | 77 Ų | 77 | 83.5 Ų | 83.5 | 36% | 0.36 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 137.4 | 177.3 | -67.1 | 177.9 | 2.6 | 0 | 0 | 109.2 | M216 Y236 K250 | M216-Q252 HydrophobicContact CE-CG 4.24Å; M216-Q252 HydrophobicContact SD-CG 4.24Å; Y236-Q252 HydrophobicContact CD1-CG 4.34Å; Y236-Q252 HydrophobicContact CD2-CB 3.93Å; Y236-Q252 HydrophobicContact CD2-CG 3.66Å; Y236-Q252 HydrophobicContact CE1-CG 4.43Å; Y236-Q252 HydrophobicContact CE2-CB 3.56Å; Y236-Q252 HydrophobicContact CE2-CG 3.8Å; Y236-Q252 HydrophobicContact CG-CG 3.96Å; K250-Q252 PolarHBondContact O-N 3.29Å |
| 253 | K | 85.6 | Confident | 80 | Confident | 84 Ų | 84 | 82 Ų | 82 | 37% | 0.365 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 133.6 | 173.6 | -60.5 | 172.5 | -173.7 | 157.8 | 0 | 108.1 | E218 W234 Y236 | E218-K253 IonicContact OE1-NZ 3.31Å; E218-K253 PolarHBondContact OE1-NZ 3.2Å; E218-K253 IonicContact OE2-NZ 3.41Å; W234-K253 HydrophobicContact CD2-CD 4.19Å; W234-K253 HydrophobicContact CG-CB 4.24Å; W234-K253 HydrophobicContact CG-CD 4.46Å; W234-K253 HydrophobicContact CZ2-CD 4.11Å; Y236-K253 VanDerWaalsContact OH-CB 3.31Å; Y236-K253 WeakPolarHBondContact OH-CB 3.42Å; Y236-K253 PolarHBondContact OH-N 3.47Å |
| 254 | E | 82.6 | Confident | 79.9 | Confident | 122 Ų | 122 | 85.5 Ų | 85.5 | 57% | 0.57 | 44% | 0.443 | S | S | * | . | trans | -100.5 | 22 | -173.8 | -66.4 | 176.3 | -162.2 | 0 | 0 | 112.4 | R232 K256 | R232-E254 PolarHBondContact NH1-O 3.34Å; E254-K256 PolarHBondContact O-N 2.92Å | ||
| 255 | E | 90 | Very high | 80 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 44% | 0.444 | 43% | 0.428 | S | S | . | . | trans | -63.2 | 129.8 | 179.8 | -69 | 167.1 | -147.3 | 0 | 0 | 111.7 | L233 W234 | L233-E255 HydrophobicContact CB-CB 4.32Å; L233-E255 PolarHBondContact N-O 3.48Å; W234-E255 PolarHBondContact NE1-OE2 3.37Å | ||
| 256 | K | 88 | Confident | 80.2 | Confident | 139 Ų | 139 | 83.2 Ų | 83.2 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | B | Isolated β-bridge | trans | -86.6 | 154.6 | 176.6 | -57.4 | -169.5 | -175.6 | -161.9 | 0 | 110.5 | E230 E254 | E230-K256 WeakPolarHBondContact OE1-CE 3.38Å; E230-K256 IonicContact OE1-NZ 2.76Å; E230-K256 VanDerWaalsContact OE2-CE 3.24Å; E230-K256 WeakPolarHBondContact OE2-CE 3.45Å; E230-K256 IonicContact OE2-NZ 3.38Å; E230-K256 PolarHBondContact OE2-NZ 3.08Å; E254-K256 PolarHBondContact O-N 2.92Å |
| 257 | C | 85.1 | Confident | 80.8 | Confident | 33 Ų | 33 | 91.5 Ų | 91.5 | 22% | 0.223 | 48% | 0.476 | C | S | . | . | trans | -142.9 | 160.2 | 174 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | C222 C231 R232 L233 | C222-C257 WeakPolarHBondContact CA-SG 3.42Å; C222-C257 HydrophobicContact CB-CB 3.87Å; C222-C257 WeakPolarHBondContact CB-SG 3.42Å; C222-C257 WeakPolarHBondContact SG-CB 3.42Å; C222-C257 CovalentContact SG-SG 2.02Å; C222-C257 PolarHBondContact SG-SG 2.8Å; C231-C257 WeakPolarHBondContact CB-O 3.14Å; R232-C257 PolarHBondContact O-SG 2.69Å; R232-C257 VanDerWaalsContact O-SG 3.34Å; L233-C257 VanDerWaalsContact CA-SG 3.57Å; L233-C257 HydrophobicContact CB-CB 4.09Å; L233-C257 HydrophobicContact CD1-CB 4.14Å; L233-C257 PolarHBondContact N-SG 3.19Å | ||
| 258 | E | 81.8 | Confident | 81.3 | Confident | 185 Ų | 185 | 92.8 Ų | 92.8 | 86% | 0.864 | 48% | 0.478 | S | S | * | . | trans | -69.2 | 128.8 | 170.7 | -67.8 | 178.6 | -176.7 | 0 | 0 | 110.2 | C222 | C222-E258 PolarHBondContact SG-O 3.21Š| ||
| 259 | C | 80.1 | Confident | 81.8 | Confident | 24 Ų | 24 | 91.6 Ų | 91.6 | 16% | 0.162 | 47% | 0.469 | C | S | . | . | trans | -64.9 | 133.1 | -174.6 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | C231 C261 K286 | C231-C259 HydrophobicContact CB-CB 4.08Å; C231-C259 WeakPolarHBondContact CB-SG 3.1Å; C231-C259 WeakPolarHBondContact SG-CA 3.42Å; C231-C259 WeakPolarHBondContact SG-CB 3.5Å; C231-C259 CovalentContact SG-SG 2.01Å; C231-C259 PolarHBondContact SG-SG 2.81Å; C259-C261 PolarHBondContact O-N 3.19Å; C259-C261 PolarHBondContact O-SG 2.73Å; C259-K286 HydrophobicContact CB-CB 4.28Å; C259-K286 HydrophobicContact CB-CD 3.87Å; C259-K286 HydrophobicContact CB-CG 3.7Å; C259-K286 WeakPolarHBondContact SG-CD 3.21Å; C259-K286 WeakPolarHBondContact SG-CE 3.36Å | ||
| 260 | P | 73.6 | Confident | 82.2 | Confident | 69 Ų | 69 | 98.2 Ų | 98.2 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | trans | -70.8 | 99.7 | 168.5 | 28.8 | -32.3 | 0 | 0 | 0 | 109.2 | S262 | P260-S262 PolarHBondContact O-N 3.08Š| ||
| 261 | C | 76 | Confident | 82.5 | Confident | 41 Ų | 41 | 93.6 Ų | 93.6 | 28% | 0.277 | 47% | 0.474 | S | S | . | . | trans | -71 | 112.9 | 179.5 | -39.6 | 0 | 0 | 0 | 0 | 109 | C259 K284 C301 | C259-C261 PolarHBondContact O-N 3.19Å; C259-C261 PolarHBondContact O-SG 2.73Å; C261-K284 HydrophobicContact CB-CB 4.35Å; C261-K284 HydrophobicContact CB-CD 3.82Å; C261-K284 HydrophobicContact CB-CG 4.23Å; C261-K284 WeakPolarHBondContact O-CE 3.19Å; C261-K284 PolarHBondContact O-NZ 2.62Å; C261-C301 HydrophobicContact CB-CB 3.7Å; C261-C301 WeakPolarHBondContact CB-SG 3.16Å; C261-C301 WeakPolarHBondContact SG-CB 3.32Å; C261-C301 CovalentContact SG-SG 2.01Å; C261-C301 PolarHBondContact SG-SG 3.45Å | ||
| 262 | S | 68 | Low | 82.7 | Confident | 49 Ų | 49 | 88.9 Ų | 88.9 | 34% | 0.343 | 46% | 0.464 | S | S | . | . | trans | -133.5 | 136.6 | -172.4 | 52.6 | 0 | 0 | 0 | 0 | 110.2 | P260 P285 P288 | P260-S262 PolarHBondContact O-N 3.08Å; S262-P285 PolarHBondContact N-O 2.97Å; S262-P285 VanDerWaalsContact N-O 3.12Å; S262-P288 WeakPolarHBondContact OG-CD 3.3Å | ||
| 263 | G | 70.5 | Confident | 82.7 | Confident | 39 Ų | 39 | 87 Ų | 87 | 40% | 0.402 | 46% | 0.462 | S | S | . | . | S | Bend | trans | 125.4 | -179.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | K284 | G263-K284 WeakPolarHBondContact O-CE 3.43Š|
| 264 | T | 75.6 | Confident | 82.5 | Confident | 123 Ų | 123 | 87.3 Ų | 87.3 | 76% | 0.755 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -75.6 | 126.9 | 172 | 44 | 0 | 0 | 0 | 0 | 109.4 | ||
| 265 | P | 79.7 | Confident | 82.6 | Confident | 53 Ų | 53 | 82.4 Ų | 82.4 | 34% | 0.344 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 148.4 | 171 | 28.4 | -32.6 | 0 | 0 | 0 | 110.1 | K284 | P265-K284 HydrophobicContact CB-CB 4.47Å; P265-K284 HydrophobicContact CB-CG 4.42Å |
| 266 | E | 82.5 | Confident | 82.5 | Confident | 64 Ų | 64 | 78.7 Ų | 78.7 | 30% | 0.299 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 166.6 | 168.2 | -65.6 | -172.3 | 161.4 | 0 | 0 | 110.8 | M283 C293 | E266-M283 WeakPolarHBondContact CB-O 3.3Å; E266-M283 PolarHBondContact N-O 2.7Å; E266-C293 WeakPolarHBondContact OE1-CB 3.36Å |
| 267 | E | 85.4 | Confident | 82.6 | Confident | 183 Ų | 183 | 76.4 Ų | 76.4 | 86% | 0.855 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -60.6 | 144.2 | 171.1 | -68.6 | -172.8 | 169.6 | 0 | 0 | 110.7 | ||
| 268 | W | 88.9 | Confident | 82.7 | Confident | 72 Ų | 72 | 76 Ų | 76 | 27% | 0.273 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 139.4 | 171.7 | -73.7 | 103.5 | 0 | 0 | 0 | 110.6 | R280 S281 R282 E303 D305 | W268-R280 HydrophobicContact CD2-CG 4.27Å; W268-R280 HydrophobicContact CE3-CB 4.3Å; W268-R280 HydrophobicContact CE3-CG 3.64Å; W268-R280 HydrophobicContact CZ3-CG 4.08Å; W268-S281 VanDerWaalsContact CE3-C 3.44Å; W268-R282 HydrophobicContact CD2-CB 4.04Å; W268-R282 HydrophobicContact CD2-CG 3.96Å; W268-R282 VanDerWaalsContact CE2-CD 3.4Å; W268-R282 HydrophobicContact CE3-CB 3.82Å; W268-R282 HydrophobicContact CE3-CG 3.82Å; W268-R282 HydrophobicContact CG-CB 4.5Å; W268-R282 HydrophobicContact CH2-CG 3.89Å; W268-R282 HydrophobicContact CZ2-CG 4.04Å; W268-R282 HydrophobicContact CZ3-CB 4.21Å; W268-R282 HydrophobicContact CZ3-CG 3.79Å; W268-E303 HydrophobicContact CH2-CB 4.23Å; W268-D305 HydrophobicContact CH2-CB 3.7Å; W268-D305 HydrophobicContact CZ2-CB 4.34Å; W268-D305 HydrophobicContact CZ3-CB 3.81Å |
| 269 | T | 89.5 | Confident | 83.1 | Confident | 72 Ų | 72 | 70.6 Ų | 70.6 | 44% | 0.442 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 161.3 | 165.2 | 63.7 | 0 | 0 | 0 | 0 | 110.3 | S281 | T269-S281 WeakPolarHBondContact CG2-O 3.46Å; T269-S281 PolarHBondContact N-O 2.88Å; T269-S281 PolarHBondContact OG1-N 3.31Å; T269-S281 PolarHBondContact OG1-O 3.48Å |
| 270 | Q | 90.5 | Very high | 83.7 | Confident | 171 Ų | 171 | 72.5 Ų | 72.5 | 80% | 0.799 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 153.2 | 165.7 | -62.7 | -61.4 | -46.7 | 0 | 0 | 110.1 | ||
| 271 | W | 89.1 | Confident | 84.4 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 142.3 | 173 | -70.4 | 108.3 | 0 | 0 | 0 | 110.8 | A273 M278 R280 D305 V307 | W271-A273 WeakPolarHBondContact CB-O 3.4Å; W271-A273 PolarHBondContact O-N 3.08Å; W271-M278 HydrophobicContact CD2-CB 4.24Å; W271-M278 HydrophobicContact CE3-CB 3.59Å; W271-M278 HydrophobicContact CZ3-CB 4.06Å; W271-M278 WeakPolarHBondContact CZ3-O 3.43Å; W271-R280 HydrophobicContact CD2-CB 4.2Å; W271-R280 HydrophobicContact CD2-CG 4.13Å; W271-R280 HydrophobicContact CE3-CB 3.86Å; W271-R280 HydrophobicContact CE3-CG 3.77Å; W271-R280 HydrophobicContact CH2-CG 3.81Å; W271-R280 HydrophobicContact CZ2-CG 4.16Å; W271-R280 VanDerWaalsContact CZ2-NE 3.3Å; W271-R280 HydrophobicContact CZ3-CB 4.18Å; W271-R280 HydrophobicContact CZ3-CG 3.61Å; W271-D305 HydrophobicContact CH2-CB 4.45Å; W271-V307 HydrophobicContact CH2-CB 4.1Å; W271-V307 HydrophobicContact CH2-CG2 3.59Å; W271-V307 HydrophobicContact CZ2-CG2 4.34Å; W271-V307 HydrophobicContact CZ3-CB 4.33Å; W271-V307 HydrophobicContact CZ3-CG2 4.22Å |
| 272 | S | 88.6 | Confident | 85 | Confident | 84 Ų | 84 | 72 Ų | 72 | 59% | 0.587 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -64.2 | -24.4 | 177.1 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | I279 | S272-I279 WeakPolarHBondContact CB-O 3.01Å; S272-I279 PolarHBondContact N-O 3.3Å; S272-I279 PolarHBondContact OG-N 3.18Å; S272-I279 PolarHBondContact OG-O 3.03Å |
| 273 | A | 84.9 | Confident | 85.7 | Confident | 39 Ų | 39 | 72.6 Ų | 72.6 | 32% | 0.322 | 40% | 0.397 | S | S | . | . | trans | -154.1 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111 | W271 M278 | W271-A273 WeakPolarHBondContact CB-O 3.4Å; W271-A273 PolarHBondContact O-N 3.08Å; A273-M278 HydrophobicContact CB-CG 4.23Å; A273-M278 WeakPolarHBondContact O-CG 3.2Å; A273-M278 VanDerWaalsContact O-SD 3.4Å | ||
| 274 | T | 83.1 | Confident | 86.3 | Confident | 89 Ų | 89 | 72.8 Ų | 72.8 | 55% | 0.546 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -107.2 | -7.3 | 176.7 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 275 | C | 84 | Confident | 86.5 | Confident | 20 Ų | 20 | 67.5 Ų | 67.5 | 14% | 0.135 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -149.7 | 165 | -178.3 | 64.1 | 0 | 0 | 0 | 0 | 109.5 | E310 C312 Y315 | C275-E310 WeakPolarHBondContact CB-O 3.17Å; C275-C312 HydrophobicContact CB-CB 3.99Å; C275-C312 WeakPolarHBondContact CB-SG 3.28Å; C275-C312 WeakPolarHBondContact SG-CA 3.18Å; C275-C312 WeakPolarHBondContact SG-CB 3.38Å; C275-C312 CovalentContact SG-SG 2.05Å; C275-C312 PolarHBondContact SG-SG 3.22Å; C275-Y315 HydrophobicContact CB-CD2 3.75Å; C275-Y315 HydrophobicContact CB-CE2 3.59Å |
| 276 | G | 87.3 | Confident | 86.3 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 17% | 0.165 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 61.2 | -147.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M278 G309 E310 | G276-M278 PolarHBondContact O-N 3.08Å; G276-M278 VanDerWaalsContact O-N 3.16Å; G276-G309 WeakPolarHBondContact O-CA 3.23Å; G276-G309 PolarHBondContact O-N 3.38Å; G276-E310 PolarHBondContact N-O 3.16Å |
| 277 | V | 89.4 | Confident | 85.7 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 108.6 | -179.8 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | I279 V306 | V277-I279 HydrophobicContact CG1-CG1 4.32Å; V277-V306 HydrophobicContact CG1-CG1 3.8Å |
| 278 | M | 87.9 | Confident | 84.8 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.3 | 178.3 | -58.5 | 174.7 | -65.7 | 0 | 0 | 109.4 | W271 A273 G276 V306 V307 | W271-M278 HydrophobicContact CD2-CB 4.24Å; W271-M278 HydrophobicContact CE3-CB 3.59Å; W271-M278 HydrophobicContact CZ3-CB 4.06Å; W271-M278 WeakPolarHBondContact CZ3-O 3.43Å; A273-M278 HydrophobicContact CB-CG 4.23Å; A273-M278 WeakPolarHBondContact O-CG 3.2Å; A273-M278 VanDerWaalsContact O-SD 3.4Å; G276-M278 PolarHBondContact O-N 3.08Å; G276-M278 VanDerWaalsContact O-N 3.16Å; M278-V306 WeakPolarHBondContact O-CA 3.4Å; M278-V307 HydrophobicContact CE-CB 4.17Å; M278-V307 HydrophobicContact CE-CG1 3.84Å; M278-V307 PolarHBondContact N-O 2.79Å; M278-V307 PolarHBondContact O-N 3.25Å |
| 279 | I | 90.4 | Very high | 83.7 | Confident | 71 Ų | 71 | 66 Ų | 66 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137 | 179.4 | -53.1 | 170.5 | 0 | 0 | 0 | 108.3 | S272 V277 D305 V306 | S272-I279 WeakPolarHBondContact CB-O 3.01Å; S272-I279 PolarHBondContact N-O 3.3Å; S272-I279 PolarHBondContact OG-N 3.18Å; S272-I279 PolarHBondContact OG-O 3.03Å; V277-I279 HydrophobicContact CG1-CG1 4.32Å; I279-D305 WeakPolarHBondContact CA-O 3.37Å; I279-V306 HydrophobicContact CG1-CG1 4.34Å; I279-V306 HydrophobicContact CG1-CG2 4.26Å; I279-V306 HydrophobicContact CG2-CG2 4.41Å |
| 280 | R | 92.3 | Very high | 82.4 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 156 | 164.7 | 62.9 | 179.9 | 179.7 | 175.6 | -3.7 | 109.2 | W268 W271 E304 D305 | W268-R280 HydrophobicContact CD2-CG 4.27Å; W268-R280 HydrophobicContact CE3-CB 4.3Å; W268-R280 HydrophobicContact CE3-CG 3.64Å; W268-R280 HydrophobicContact CZ3-CG 4.08Å; W271-R280 HydrophobicContact CD2-CB 4.2Å; W271-R280 HydrophobicContact CD2-CG 4.13Å; W271-R280 HydrophobicContact CE3-CB 3.86Å; W271-R280 HydrophobicContact CE3-CG 3.77Å; W271-R280 HydrophobicContact CH2-CG 3.81Å; W271-R280 HydrophobicContact CZ2-CG 4.16Å; W271-R280 VanDerWaalsContact CZ2-NE 3.3Å; W271-R280 HydrophobicContact CZ3-CB 4.18Å; W271-R280 HydrophobicContact CZ3-CG 3.61Å; R280-E304 WeakPolarHBondContact O-CA 3.36Å; R280-D305 HydrophobicContact CG-CB 3.87Å; R280-D305 IonicContact CZ-OD2 2.86Å; R280-D305 VanDerWaalsContact CZ-OD2 3.31Å; R280-D305 PolarHBondContact N-O 2.95Å; R280-D305 IonicContact NE-OD2 3.53Å; R280-D305 PolarHBondContact NE-OD2 2.87Å; R280-D305 IonicContact NH2-OD2 2.65Å; R280-D305 PolarHBondContact NH2-OD2 3.49Å; R280-D305 PolarHBondContact O-N 3.43Å |
| 281 | S | 88.9 | Confident | 81.1 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 27% | 0.273 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 159.2 | -179 | 65 | 0 | 0 | 0 | 0 | 110.9 | W268 T269 E303 | W268-S281 VanDerWaalsContact CE3-C 3.44Å; T269-S281 WeakPolarHBondContact CG2-O 3.46Å; T269-S281 PolarHBondContact N-O 2.88Å; T269-S281 PolarHBondContact OG1-N 3.31Å; T269-S281 PolarHBondContact OG1-O 3.48Å; S281-E303 CarbonylContact C-O 3.48Å; S281-E303 WeakPolarHBondContact CA-O 3.28Å |
| 282 | R | 88 | Confident | 80.3 | Confident | 61 Ų | 61 | 64.4 Ų | 64.4 | 23% | 0.23 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.1 | 168.1 | 66.9 | 179.6 | -178.3 | -174.7 | -3.6 | 110.1 | W268 T302 E303 | W268-R282 HydrophobicContact CD2-CB 4.04Å; W268-R282 HydrophobicContact CD2-CG 3.96Å; W268-R282 VanDerWaalsContact CE2-CD 3.4Å; W268-R282 HydrophobicContact CE3-CB 3.82Å; W268-R282 HydrophobicContact CE3-CG 3.82Å; W268-R282 HydrophobicContact CG-CB 4.5Å; W268-R282 HydrophobicContact CH2-CG 3.89Å; W268-R282 HydrophobicContact CZ2-CG 4.04Å; W268-R282 HydrophobicContact CZ3-CB 4.21Å; W268-R282 HydrophobicContact CZ3-CG 3.79Å; R282-T302 WeakPolarHBondContact O-CA 3.19Å; R282-E303 HydrophobicContact CG-CB 4.02Å; R282-E303 IonicContact CZ-OE2 3.12Å; R282-E303 PolarHBondContact N-O 3.23Å; R282-E303 IonicContact NE-OE2 2.94Å; R282-E303 PolarHBondContact NE-OE2 3.12Å; R282-E303 IonicContact NH2-OE2 3.16Å; R282-E303 PolarHBondContact NH2-OE2 2.79Å; R282-E303 PolarHBondContact O-N 3.36Å |
| 283 | M | 83.1 | Confident | 79.6 | Confident | 60 Ų | 60 | 60.5 Ų | 60.5 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 148.9 | 176.5 | -62.9 | -173.5 | -177 | 0 | 0 | 111.4 | E266 C293 C300 C301 | E266-M283 WeakPolarHBondContact CB-O 3.3Å; E266-M283 PolarHBondContact N-O 2.7Å; M283-C293 HydrophobicContact CB-CB 4.08Å; M283-C293 HydrophobicContact SD-CB 4.14Å; M283-C300 HydrophobicContact CB-CB 4.32Å; M283-C301 CarbonylContact C-O 3.59Å; M283-C301 VanDerWaalsContact CA-O 3.24Å; M283-C301 WeakPolarHBondContact CA-O 3.49Å |
| 284 | K | 83.3 | Confident | 79 | Confident | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.187 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 134 | 173.9 | -169.4 | -179.4 | -174.5 | -167.2 | 0 | 109.4 | C261 G263 P265 C300 C301 | C261-K284 HydrophobicContact CB-CB 4.35Å; C261-K284 HydrophobicContact CB-CD 3.82Å; C261-K284 HydrophobicContact CB-CG 4.23Å; C261-K284 WeakPolarHBondContact O-CE 3.19Å; C261-K284 PolarHBondContact O-NZ 2.62Å; G263-K284 WeakPolarHBondContact O-CE 3.43Å; P265-K284 HydrophobicContact CB-CB 4.47Å; P265-K284 HydrophobicContact CB-CG 4.42Å; K284-C300 CarbonylContact O-C 3.58Å; K284-C300 WeakPolarHBondContact O-CA 3.24Å; K284-C301 PolarHBondContact N-O 3.07Å; K284-C301 PolarHBondContact O-N 3.38Å |
| 285 | P | 78.6 | Confident | 78.6 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.084 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 143.2 | -179.6 | 23.6 | -32.1 | 0 | 0 | 0 | 111.8 | S262 N287 | S262-P285 PolarHBondContact N-O 2.97Å; S262-P285 VanDerWaalsContact N-O 3.12Å; P285-N287 VanDerWaalsContact C-N 3.34Å |
| 286 | K | 75.9 | Confident | 78 | Confident | 47 Ų | 47 | 72.7 Ų | 72.7 | 20% | 0.204 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -76.9 | -24.5 | 171.9 | -68.8 | 168.6 | 172.3 | 164.8 | 0 | 112 | Y224 C259 G298 A299 C300 C301 | Y224-K286 HydrophobicContact CD2-CB 4.36Å; Y224-K286 HydrophobicContact CD2-CD 4.13Å; Y224-K286 HydrophobicContact CE2-CD 4.23Å; C259-K286 HydrophobicContact CB-CB 4.28Å; C259-K286 HydrophobicContact CB-CD 3.87Å; C259-K286 HydrophobicContact CB-CG 3.7Å; C259-K286 WeakPolarHBondContact SG-CD 3.21Å; C259-K286 WeakPolarHBondContact SG-CE 3.36Å; K286-G298 PolarHBondContact NZ-O 3Å; K286-A299 WeakPolarHBondContact CB-O 3.41Å; K286-A299 WeakPolarHBondContact CG-O 3.25Å; K286-A299 PolarHBondContact N-O 3.03Å; K286-C300 WeakPolarHBondContact CE-O 3.43Å; K286-C300 PolarHBondContact NZ-O 3.02Å; K286-C301 VanDerWaalsContact CG-SG 3.55Å |
| 287 | N | 70.8 | Confident | 77.2 | Confident | 52 Ų | 52 | 76 Ų | 76 | 28% | 0.278 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -132.2 | 124.4 | 173 | -179.7 | 2 | 0 | 0 | 0 | 109 | P285 E289 R290 | P285-N287 VanDerWaalsContact C-N 3.34Å; N287-E289 PolarHBondContact O-N 2.92Å; N287-E289 VanDerWaalsContact O-N 3.08Å; N287-E289 PolarHBondContact OD1-N 2.83Å; N287-R290 PolarHBondContact O-N 2.99Å |
| 288 | P | 66.5 | Low | 76.4 | Confident | 73 Ų | 73 | 73.4 Ų | 73.4 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21 | -179.7 | 21.6 | -33.9 | 0 | 0 | 0 | 114.4 | S262 R290 | S262-P288 WeakPolarHBondContact OG-CD 3.3Å; P288-R290 VanDerWaalsContact C-N 3.29Å; P288-R290 PolarHBondContact O-N 3.21Å |
| 289 | E | 66.4 | Low | 75.7 | Confident | 168 Ų | 168 | 72.7 Ų | 72.7 | 79% | 0.785 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -9 | 179.9 | -64.6 | -178.4 | 167.1 | 0 | 0 | 114.3 | N287 | N287-E289 PolarHBondContact O-N 2.92Å; N287-E289 VanDerWaalsContact O-N 3.08Å; N287-E289 PolarHBondContact OD1-N 2.83Å |
| 290 | R | 61.9 | Low | 75.2 | Confident | 105 Ų | 105 | 69.8 Ų | 69.8 | 40% | 0.396 | 36% | 0.357 | S | S | . | . | trans | -115.5 | 115 | 172.2 | -78.5 | -170.9 | -175.9 | -158.8 | 4.3 | 110.6 | E226 N287 P288 | E226-R290 IonicContact OE1-NH2 3.75Å; N287-R290 PolarHBondContact O-N 2.99Å; P288-R290 VanDerWaalsContact C-N 3.29Å; P288-R290 PolarHBondContact O-N 3.21Å | ||
| 291 | V | 63.7 | Low | 74.7 | Confident | 129 Ų | 129 | 67.5 Ų | 67.5 | 78% | 0.782 | 35% | 0.351 | S | S | * | . | trans | -97.7 | -10.4 | -166.3 | -174.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 292 | D | 71.7 | Confident | 74.4 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 34% | 0.337 | 36% | 0.362 | S | S | . | . | trans | -112.3 | 93 | -176.6 | -165.7 | -13.6 | 0 | 0 | 0 | 113.2 | K294 Q295 H296 | D292-K294 PolarHBondContact O-N 3.09Å; D292-K294 WeakPolarHBondContact OD1-CA 2.93Å; D292-K294 VanDerWaalsContact OD1-CB 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.29Å; D292-K294 PolarHBondContact OD1-N 2.84Å; D292-Q295 PolarHBondContact OD1-N 3.02Å; D292-Q295 VanDerWaalsContact OD2-CG 3.28Å; D292-Q295 WeakPolarHBondContact OD2-CG 2.99Å; D292-Q295 PolarHBondContact OD2-NE2 2.9Å; D292-H296 PolarHBondContact O-N 2.94Å | ||
| 293 | C | 74.2 | Confident | 74.3 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.014 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20.7 | 173.9 | -70.9 | 0 | 0 | 0 | 0 | 113.5 | E266 M283 H296 C300 | E266-C293 WeakPolarHBondContact OE1-CB 3.36Å; M283-C293 HydrophobicContact CB-CB 4.08Å; M283-C293 HydrophobicContact SD-CB 4.14Å; C293-H296 CarbonylContact O-C 3.49Å; C293-C300 WeakPolarHBondContact CA-SG 3.27Å; C293-C300 HydrophobicContact CB-CB 3.78Å; C293-C300 WeakPolarHBondContact CB-SG 3.46Å; C293-C300 WeakPolarHBondContact SG-CB 3.23Å; C293-C300 CovalentContact SG-SG 2.02Å; C293-C300 PolarHBondContact SG-SG 2.89Å |
| 294 | K | 72.3 | Confident | 74.5 | Confident | 176 Ų | 176 | 73.3 Ų | 73.3 | 77% | 0.765 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -36.6 | 180 | -57.3 | -178.3 | 178.7 | 178.2 | 0 | 111.4 | D292 | D292-K294 PolarHBondContact O-N 3.09Å; D292-K294 WeakPolarHBondContact OD1-CA 2.93Å; D292-K294 VanDerWaalsContact OD1-CB 3.24Å; D292-K294 WeakPolarHBondContact OD1-CB 3.29Å; D292-K294 PolarHBondContact OD1-N 2.84Å |
| 295 | Q | 74.1 | Confident | 74.9 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 65% | 0.65 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -32.2 | 177.1 | -71.2 | 179.4 | 30.1 | 0 | 0 | 113.1 | D292 | D292-Q295 PolarHBondContact OD1-N 3.02Å; D292-Q295 VanDerWaalsContact OD2-CG 3.28Å; D292-Q295 WeakPolarHBondContact OD2-CG 2.99Å; D292-Q295 PolarHBondContact OD2-NE2 2.9Å |
| 296 | H | 72.3 | Confident | 75.5 | Confident | 89 Ų | 89 | 77 Ų | 77 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | trans | -131.8 | 71.7 | -174 | -60 | 88.8 | 0 | 0 | 0 | 111.6 | D292 C293 G298 A299 | D292-H296 PolarHBondContact O-N 2.94Å; C293-H296 CarbonylContact O-C 3.49Å; H296-G298 PolarHBondContact O-N 2.67Å; H296-G298 VanDerWaalsContact O-N 3.14Å; H296-A299 HydrophobicContact CB-CB 4.02Å; H296-A299 WeakPolarHBondContact O-CB 3.43Å; H296-A299 PolarHBondContact O-N 2.02Å | ||
| 297 | P | 70.6 | Confident | 76.2 | Confident | 86 Ų | 86 | 77.5 Ų | 77.5 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -58.5 | -32.2 | -177.2 | 20.9 | -32.3 | 0 | 0 | 0 | 113 | A299 C300 | P297-A299 PolarHBondContact O-N 3.4Å; P297-C300 PolarHBondContact O-N 3.41Å; P297-C300 VanDerWaalsContact O-N 3.09Å |
| 298 | G | 71.4 | Confident | 76.9 | Confident | 36 Ų | 36 | 81.2 Ų | 81.2 | 37% | 0.371 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -62.8 | -22.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K286 H296 C300 | K286-G298 PolarHBondContact NZ-O 3Å; H296-G298 PolarHBondContact O-N 2.67Å; H296-G298 VanDerWaalsContact O-N 3.14Å; G298-C300 VanDerWaalsContact C-N 3.3Å |
| 299 | A | 72.7 | Confident | 77.7 | Confident | 11 Ų | 11 | 78.9 Ų | 78.9 | 9% | 0.091 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -87.2 | 4.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K286 H296 P297 | K286-A299 WeakPolarHBondContact CB-O 3.41Å; K286-A299 WeakPolarHBondContact CG-O 3.25Å; K286-A299 PolarHBondContact N-O 3.03Å; H296-A299 HydrophobicContact CB-CB 4.02Å; H296-A299 WeakPolarHBondContact O-CB 3.43Å; H296-A299 PolarHBondContact O-N 2.02Å; P297-A299 PolarHBondContact O-N 3.4Å |
| 300 | C | 80.4 | Confident | 78.6 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 7% | 0.068 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 156.8 | -178.4 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | M283 K284 K286 C293 P297 G298 | M283-C300 HydrophobicContact CB-CB 4.32Å; K284-C300 CarbonylContact O-C 3.58Å; K284-C300 WeakPolarHBondContact O-CA 3.24Å; K286-C300 WeakPolarHBondContact CE-O 3.43Å; K286-C300 PolarHBondContact NZ-O 3.02Å; C293-C300 WeakPolarHBondContact CA-SG 3.27Å; C293-C300 HydrophobicContact CB-CB 3.78Å; C293-C300 WeakPolarHBondContact CB-SG 3.46Å; C293-C300 WeakPolarHBondContact SG-CB 3.23Å; C293-C300 CovalentContact SG-SG 2.02Å; C293-C300 PolarHBondContact SG-SG 2.89Å; P297-C300 PolarHBondContact O-N 3.41Å; P297-C300 VanDerWaalsContact O-N 3.09Å; G298-C300 VanDerWaalsContact C-N 3.3Å |
| 301 | C | 81.2 | Confident | 79.8 | Confident | 16 Ų | 16 | 72.6 Ų | 72.6 | 11% | 0.108 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 142.6 | 171.2 | -58.3 | 0 | 0 | 0 | 0 | 109.4 | C261 M283 K284 K286 | C261-C301 HydrophobicContact CB-CB 3.7Å; C261-C301 WeakPolarHBondContact CB-SG 3.16Å; C261-C301 WeakPolarHBondContact SG-CB 3.32Å; C261-C301 CovalentContact SG-SG 2.01Å; C261-C301 PolarHBondContact SG-SG 3.45Å; M283-C301 CarbonylContact C-O 3.59Å; M283-C301 VanDerWaalsContact CA-O 3.24Å; M283-C301 WeakPolarHBondContact CA-O 3.49Å; K284-C301 PolarHBondContact N-O 3.07Å; K284-C301 PolarHBondContact O-N 3.38Å; K286-C301 VanDerWaalsContact CG-SG 3.55Å |
| 302 | T | 83.3 | Confident | 80.9 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 130.2 | 172.7 | -55.7 | 0 | 0 | 0 | 0 | 108.8 | R282 E304 | R282-T302 WeakPolarHBondContact O-CA 3.19Å; T302-E304 HydrophobicContact CG2-CG 4.31Å |
| 303 | E | 85.3 | Confident | 81.7 | Confident | 60 Ų | 60 | 69.4 Ų | 69.4 | 28% | 0.28 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138 | 167.6 | -67.6 | 176.7 | -170.5 | 0 | 0 | 108.2 | W268 S281 R282 | W268-E303 HydrophobicContact CH2-CB 4.23Å; S281-E303 CarbonylContact C-O 3.48Å; S281-E303 WeakPolarHBondContact CA-O 3.28Å; R282-E303 HydrophobicContact CG-CB 4.02Å; R282-E303 IonicContact CZ-OE2 3.12Å; R282-E303 PolarHBondContact N-O 3.23Å; R282-E303 IonicContact NE-OE2 2.94Å; R282-E303 PolarHBondContact NE-OE2 3.12Å; R282-E303 IonicContact NH2-OE2 3.16Å; R282-E303 PolarHBondContact NH2-OE2 2.79Å; R282-E303 PolarHBondContact O-N 3.36Å |
| 304 | E | 89.1 | Confident | 82.3 | Confident | 139 Ų | 139 | 71.3 Ų | 71.3 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.9 | 177.4 | -65.7 | -178.1 | 170.9 | 0 | 0 | 109.6 | R280 T302 | R280-E304 WeakPolarHBondContact O-CA 3.36Å; T302-E304 HydrophobicContact CG2-CG 4.31Å |
| 305 | D | 90.7 | Very high | 83 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 126.7 | 173.9 | -175.2 | 19.1 | 0 | 0 | 0 | 107.9 | W268 W271 I279 R280 | W268-D305 HydrophobicContact CH2-CB 3.7Å; W268-D305 HydrophobicContact CZ2-CB 4.34Å; W268-D305 HydrophobicContact CZ3-CB 3.81Å; W271-D305 HydrophobicContact CH2-CB 4.45Å; I279-D305 WeakPolarHBondContact CA-O 3.37Å; R280-D305 HydrophobicContact CG-CB 3.87Å; R280-D305 IonicContact CZ-OD2 2.86Å; R280-D305 VanDerWaalsContact CZ-OD2 3.31Å; R280-D305 PolarHBondContact N-O 2.95Å; R280-D305 IonicContact NE-OD2 3.53Å; R280-D305 PolarHBondContact NE-OD2 2.87Å; R280-D305 IonicContact NH2-OD2 2.65Å; R280-D305 PolarHBondContact NH2-OD2 3.49Å; R280-D305 PolarHBondContact O-N 3.43Å |
| 306 | V | 90.5 | Very high | 83.4 | Confident | 86 Ų | 86 | 58.8 Ų | 58.8 | 52% | 0.521 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 120.5 | -173.4 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | V277 M278 I279 | V277-V306 HydrophobicContact CG1-CG1 3.8Å; M278-V306 WeakPolarHBondContact O-CA 3.4Å; I279-V306 HydrophobicContact CG1-CG1 4.34Å; I279-V306 HydrophobicContact CG1-CG2 4.26Å; I279-V306 HydrophobicContact CG2-CG2 4.41Å |
| 307 | V | 90.5 | Very high | 83.9 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 34% | 0.339 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.3 | 178.7 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | W271 M278 G309 | W271-V307 HydrophobicContact CH2-CB 4.1Å; W271-V307 HydrophobicContact CH2-CG2 3.59Å; W271-V307 HydrophobicContact CZ2-CG2 4.34Å; W271-V307 HydrophobicContact CZ3-CB 4.33Å; W271-V307 HydrophobicContact CZ3-CG2 4.22Å; M278-V307 HydrophobicContact CE-CB 4.17Å; M278-V307 HydrophobicContact CE-CG1 3.84Å; M278-V307 PolarHBondContact N-O 2.79Å; M278-V307 PolarHBondContact O-N 3.25Å; V307-G309 PolarHBondContact O-N 2.85Å |
| 308 | D | 85.9 | Confident | 84.3 | Confident | 131 Ų | 131 | 57.4 Ų | 57.4 | 70% | 0.701 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 107.4 | 167 | -161.3 | 4.6 | 0 | 0 | 0 | 108.5 | ||
| 309 | G | 84.2 | Confident | 84.9 | Confident | 23 Ų | 23 | 58 Ų | 58 | 24% | 0.237 | 35% | 0.347 | C | S | . | . | trans | -78.1 | -169.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G276 V307 | G276-G309 WeakPolarHBondContact O-CA 3.23Å; G276-G309 PolarHBondContact O-N 3.38Å; V307-G309 PolarHBondContact O-N 2.85Å | ||
| 310 | E | 84.4 | Confident | 85.3 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.248 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -66.2 | 149.7 | 169.4 | -67.3 | -157.8 | 179.2 | 0 | 0 | 110.7 | C275 G276 C312 Y315 N322 R324 | C275-E310 WeakPolarHBondContact CB-O 3.17Å; G276-E310 PolarHBondContact N-O 3.16Å; E310-C312 PolarHBondContact O-N 2.71Å; E310-Y315 HydrophobicContact CB-CE2 4.14Å; E310-N322 PolarHBondContact OE2-ND2 3.1Å; E310-R324 IonicContact OE1-CZ 3.41Å; E310-R324 IonicContact OE1-NE 3.42Å; E310-R324 PolarHBondContact OE1-NE 2.85Å; E310-R324 IonicContact OE1-NH2 3.83Å; E310-R324 PolarHBondContact OE1-NH2 3.11Å; E310-R324 IonicContact OE2-NE 3.91Å; E310-R324 PolarHBondContact OE2-NE 2.86Å |
| 311 | D | 86.3 | Confident | 85.5 | Confident | 89 Ų | 89 | 64.9 Ų | 64.9 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | trans | -53.5 | 127.5 | 174.7 | -170.1 | -21.9 | 0 | 0 | 0 | 109.8 | K313 N314 | D311-K313 PolarHBondContact O-N 3.38Å; D311-K313 VanDerWaalsContact O-N 3.09Å; D311-K313 WeakPolarHBondContact OD1-CB 3.16Å; D311-K313 WeakPolarHBondContact OD1-CG 3.33Å; D311-K313 PolarHBondContact OD1-N 2.94Å; D311-N314 WeakPolarHBondContact O-CB 3.38Å; D311-N314 PolarHBondContact O-N 3.5Å | ||
| 312 | C | 87 | Confident | 85.7 | Confident | 44 Ų | 44 | 64.7 Ų | 64.7 | 30% | 0.297 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -58 | -22.4 | 177.1 | -69.9 | 0 | 0 | 0 | 0 | 112.6 | C275 E310 N314 Y315 | C275-C312 HydrophobicContact CB-CB 3.99Å; C275-C312 WeakPolarHBondContact CB-SG 3.28Å; C275-C312 WeakPolarHBondContact SG-CA 3.18Å; C275-C312 WeakPolarHBondContact SG-CB 3.38Å; C275-C312 CovalentContact SG-SG 2.05Å; C275-C312 PolarHBondContact SG-SG 3.22Å; E310-C312 PolarHBondContact O-N 2.71Å; C312-N314 PolarHBondContact O-N 2.99Å; C312-Y315 PolarHBondContact O-N 2.88Å |
| 313 | K | 88.3 | Confident | 86 | Confident | 81 Ų | 81 | 60.8 Ų | 60.8 | 35% | 0.352 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -60.1 | -22.9 | 171.4 | -68.2 | -175.6 | 176.7 | -160 | 0 | 113.5 | D311 Y315 D339 H340 L341 | D311-K313 PolarHBondContact O-N 3.38Å; D311-K313 VanDerWaalsContact O-N 3.09Å; D311-K313 WeakPolarHBondContact OD1-CB 3.16Å; D311-K313 WeakPolarHBondContact OD1-CG 3.33Å; D311-K313 PolarHBondContact OD1-N 2.94Å; K313-Y315 PolarHBondContact O-N 3.09Å; K313-D339 WeakPolarHBondContact CB-O 3.04Å; K313-D339 HydrophobicContact CD-CB 3.84Å; K313-D339 HydrophobicContact CG-CB 4.45Å; K313-D339 IonicContact NZ-OD2 2.7Å; K313-D339 PolarHBondContact NZ-OD2 3.35Å; K313-H340 CarbonylContact O-C 3.58Å; K313-H340 WeakPolarHBondContact O-CA 3.05Å; K313-L341 PolarHBondContact O-N 3.5Å |
| 314 | N | 87.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 65.6 Ų | 65.6 | 23% | 0.225 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -76.7 | -12.4 | 176.5 | -64.3 | -33.2 | 0 | 0 | 0 | 113.5 | D311 C312 L323 L341 | D311-N314 WeakPolarHBondContact O-CB 3.38Å; D311-N314 PolarHBondContact O-N 3.5Å; C312-N314 PolarHBondContact O-N 2.99Å; N314-L323 PolarHBondContact O-N 2.78Å; N314-L341 HydrophobicContact CB-CD1 4.31Å |
| 315 | Y | 86.3 | Confident | 85.8 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 13% | 0.133 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -97.1 | 146.5 | -178.3 | -69.5 | -102.4 | 0 | 0 | 0 | 110.9 | C275 E310 C312 K313 A317 I321 N322 | C275-Y315 HydrophobicContact CB-CD2 3.75Å; C275-Y315 HydrophobicContact CB-CE2 3.59Å; E310-Y315 HydrophobicContact CB-CE2 4.14Å; C312-Y315 PolarHBondContact O-N 2.88Å; K313-Y315 PolarHBondContact O-N 3.09Å; Y315-A317 PolarHBondContact O-N 3.03Å; Y315-I321 VanDerWaalsContact CA-O 3.27Å; Y315-I321 WeakPolarHBondContact CA-O 3.46Å; Y315-N322 HydrophobicContact CD1-CB 4.05Å; Y315-N322 HydrophobicContact CE1-CB 3.68Å; Y315-N322 HydrophobicContact CE2-CB 4.36Å; Y315-N322 PolarHBondContact OH-ND2 2.96Å |
| 316 | V | 84 | Confident | 85.6 | Confident | 18 Ų | 18 | 64.7 Ų | 64.7 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | trans | -68.9 | 126.8 | 170.1 | -169.6 | 0 | 0 | 0 | 0 | 109 | G318 T319 I321 L323 L341 T352 | V316-G318 PolarHBondContact O-N 3.46Å; V316-T319 WeakPolarHBondContact CB-OG1 3.12Å; V316-T319 PolarHBondContact O-N 3Å; V316-T319 PolarHBondContact O-OG1 2.86Å; V316-I321 HydrophobicContact CG2-CB 4.37Å; V316-I321 HydrophobicContact CG2-CG2 4.25Å; V316-I321 PolarHBondContact N-O 2.92Å; V316-L323 HydrophobicContact CG2-CD1 3.43Å; V316-L323 VanDerWaalsContact CG2-CD1 3.43Å; V316-L323 HydrophobicContact CG2-CD2 4.23Å; V316-L323 HydrophobicContact CG2-CG 3.59Å; V316-L341 WeakPolarHBondContact CA-O 3.42Å; V316-T352 HydrophobicContact CB-CG2 3.85Å; V316-T352 HydrophobicContact CG1-CG2 3.59Å; V316-T352 HydrophobicContact CG2-CG2 3.97Å | ||
| 317 | A | 81.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 66 Ų | 66 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.8 | 126.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y315 T319 | Y315-A317 PolarHBondContact O-N 3.03Å; A317-T319 VanDerWaalsContact C-N 3.31Å; A317-T319 PolarHBondContact O-N 3.08Å |
| 318 | G | 80.3 | Confident | 85.6 | Confident | 91 Ų | 91 | 64.2 Ų | 64.2 | 94% | 0.938 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 8.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | V316 | V316-G318 PolarHBondContact O-N 3.46Š|
| 319 | T | 82.9 | Confident | 85.8 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -130.3 | 166 | 179.5 | 76.8 | 0 | 0 | 0 | 0 | 111.8 | V316 A317 I321 T352 | V316-T319 WeakPolarHBondContact CB-OG1 3.12Å; V316-T319 PolarHBondContact O-N 3Å; V316-T319 PolarHBondContact O-OG1 2.86Å; A317-T319 VanDerWaalsContact C-N 3.31Å; A317-T319 PolarHBondContact O-N 3.08Å; T319-I321 VanDerWaalsContact C-N 3.29Å; T319-I321 PolarHBondContact OG1-N 3.41Å; T319-T352 HydrophobicContact CG2-CG2 4.19Å |
| 320 | N | 80.7 | Confident | 86.2 | Confident | 128 Ų | 128 | 63.6 Ų | 63.6 | 68% | 0.684 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -90.6 | 14.1 | 172.1 | 66.5 | -19.4 | 0 | 0 | 0 | 113 | N322 | N320-N322 PolarHBondContact O-N 2.83Š|
| 321 | I | 85.4 | Confident | 86.4 | Confident | 38 Ų | 38 | 62 Ų | 62 | 20% | 0.195 | 36% | 0.358 | C | S | . | . | trans | -85.2 | 111.7 | -176.1 | -63.7 | 167.8 | 0 | 0 | 0 | 109.4 | Y315 V316 T319 L323 T352 L353 | Y315-I321 VanDerWaalsContact CA-O 3.27Å; Y315-I321 WeakPolarHBondContact CA-O 3.46Å; V316-I321 HydrophobicContact CG2-CB 4.37Å; V316-I321 HydrophobicContact CG2-CG2 4.25Å; V316-I321 PolarHBondContact N-O 2.92Å; T319-I321 VanDerWaalsContact C-N 3.29Å; T319-I321 PolarHBondContact OG1-N 3.41Å; I321-L323 HydrophobicContact CG2-CD2 4.18Å; I321-T352 HydrophobicContact CD1-CG2 3.78Å; I321-L353 HydrophobicContact CD1-CG 4.41Å; I321-L353 HydrophobicContact CG2-CD2 3.71Å; I321-L353 HydrophobicContact CG2-CG 4.31Å | ||
| 322 | N | 86.3 | Confident | 86.6 | Confident | 12 Ų | 12 | 62.1 Ų | 62.1 | 6% | 0.064 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -89 | 108.8 | 176.7 | -173 | -33.8 | 0 | 0 | 0 | 110.7 | E310 Y315 N320 R324 I325 S326 | E310-N322 PolarHBondContact OE2-ND2 3.1Å; Y315-N322 HydrophobicContact CD1-CB 4.05Å; Y315-N322 HydrophobicContact CE1-CB 3.68Å; Y315-N322 HydrophobicContact CE2-CB 4.36Å; Y315-N322 PolarHBondContact OH-ND2 2.96Å; N320-N322 PolarHBondContact O-N 2.83Å; N322-R324 PolarHBondContact O-N 2.92Å; N322-R324 WeakPolarHBondContact OD1-CA 3.37Å; N322-R324 WeakPolarHBondContact OD1-CB 3.44Å; N322-R324 PolarHBondContact OD1-N 2.78Å; N322-I325 PolarHBondContact O-N 2.8Å; N322-S326 WeakPolarHBondContact O-CB 3.43Å; N322-S326 PolarHBondContact O-N 3.12Å; N322-S326 PolarHBondContact O-OG 2.83Å |
| 323 | L | 88 | Confident | 86.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.2 | -179.6 | -71.6 | -177.5 | 0 | 0 | 0 | 114.1 | N314 V316 I321 K333 L341 K342 C343 L353 | N314-L323 PolarHBondContact O-N 2.78Å; V316-L323 HydrophobicContact CG2-CD1 3.43Å; V316-L323 VanDerWaalsContact CG2-CD1 3.43Å; V316-L323 HydrophobicContact CG2-CD2 4.23Å; V316-L323 HydrophobicContact CG2-CG 3.59Å; I321-L323 HydrophobicContact CG2-CD2 4.18Å; L323-K333 VanDerWaalsContact O-CD 3.28Å; L323-K333 WeakPolarHBondContact O-CD 3.31Å; L323-K333 WeakPolarHBondContact O-CE 3.4Å; L323-K333 PolarHBondContact O-NZ 3.07Å; L323-L341 HydrophobicContact CB-CB 3.8Å; L323-L341 HydrophobicContact CB-CD1 3.93Å; L323-L341 HydrophobicContact CD1-CB 3.86Å; L323-L341 HydrophobicContact CG-CB 4.38Å; L323-K342 VanDerWaalsContact CD1-CA 3.41Å; L323-C343 VanDerWaalsContact CD2-SG 3.57Å; L323-L353 HydrophobicContact CD2-CD2 3.74Å |
| 324 | R | 84.1 | Confident | 86.9 | Confident | 162 Ų | 162 | 61 Ų | 61 | 61% | 0.611 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38 | 164.5 | -160.4 | 173.8 | 79.9 | 125.2 | 1.3 | 111.1 | E310 N322 | E310-R324 IonicContact OE1-CZ 3.41Å; E310-R324 IonicContact OE1-NE 3.42Å; E310-R324 PolarHBondContact OE1-NE 2.85Å; E310-R324 IonicContact OE1-NH2 3.83Å; E310-R324 PolarHBondContact OE1-NH2 3.11Å; E310-R324 IonicContact OE2-NE 3.91Å; E310-R324 PolarHBondContact OE2-NE 2.86Å; N322-R324 PolarHBondContact O-N 2.92Å; N322-R324 WeakPolarHBondContact OD1-CA 3.37Å; N322-R324 WeakPolarHBondContact OD1-CB 3.44Å; N322-R324 PolarHBondContact OD1-N 2.78Å |
| 325 | I | 86 | Confident | 86.9 | Confident | 122 Ų | 122 | 62.7 Ų | 62.7 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -45.9 | -175.9 | -53 | 173.6 | 0 | 0 | 0 | 110.9 | N322 | N322-I325 PolarHBondContact O-N 2.8Š|
| 326 | S | 88 | Confident | 86.8 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -78.3 | 137.4 | 178.1 | -60.7 | 0 | 0 | 0 | 0 | 110.5 | N322 K333 | N322-S326 WeakPolarHBondContact O-CB 3.43Å; N322-S326 PolarHBondContact O-N 3.12Å; N322-S326 PolarHBondContact O-OG 2.83Å; S326-K333 WeakPolarHBondContact O-CE 3.42Å; S326-K333 PolarHBondContact O-NZ 3.09Å; S326-K333 VanDerWaalsContact O-NZ 3.16Å |
| 327 | N | 89.5 | Confident | 86.9 | Confident | 114 Ų | 114 | 67 Ų | 67 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | P | Polyproline II helix | trans | -99 | 149.9 | 171.7 | -67.9 | -35.7 | 0 | 0 | 0 | 110.1 | K333 | N327-K333 WeakPolarHBondContact OD1-CE 3.47Å; N327-K333 PolarHBondContact OD1-NZ 3.34Å |
| 328 | C | 90.7 | Very high | 87 | Confident | 18 Ų | 18 | 69.9 Ų | 69.9 | 12% | 0.122 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 136.2 | 168.5 | -49.4 | 0 | 0 | 0 | 0 | 108.6 | G331 C343 | C328-G331 WeakPolarHBondContact CB-O 3.36Å; C328-C343 VanDerWaalsContact CA-SG 3.51Å; C328-C343 HydrophobicContact CB-CB 3.78Å; C328-C343 WeakPolarHBondContact CB-SG 3.29Å; C328-C343 WeakPolarHBondContact SG-CA 3.3Å; C328-C343 WeakPolarHBondContact SG-CB 3.34Å; C328-C343 CovalentContact SG-SG 2.03Å; C328-C343 PolarHBondContact SG-SG 2.75Å |
| 329 | V | 91 | Very high | 87.1 | Confident | 92 Ų | 92 | 70 Ų | 70 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -74.5 | -52.5 | -175.8 | -174.6 | 0 | 0 | 0 | 0 | 110.7 | L353 D355 | V329-L353 HydrophobicContact CG2-CB 4.4Å; V329-L353 PolarHBondContact N-O 2.92Å; V329-D355 HydrophobicContact CG2-CB 4.15Å |
| 330 | N | 90.8 | Very high | 87.3 | Confident | 49 Ų | 49 | 70 Ų | 70 | 26% | 0.262 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -129.2 | 67.3 | 176.6 | -55.6 | -78.9 | 0 | 0 | 0 | 109.9 | D346 F349 C354 | N330-D346 PolarHBondContact O-N 3.34Å; N330-F349 HydrophobicContact CB-CB 4.01Å; N330-F349 HydrophobicContact CB-CD1 3.56Å; N330-F349 HydrophobicContact CB-CD2 3.54Å; N330-F349 HydrophobicContact CB-CE1 3.82Å; N330-F349 HydrophobicContact CB-CE2 3.79Å; N330-F349 HydrophobicContact CB-CG 3.41Å; N330-F349 VanDerWaalsContact CB-CG 3.41Å; N330-F349 HydrophobicContact CB-CZ 3.92Å; N330-F349 VanDerWaalsContact ND2-CD1 3.28Å; N330-F349 WeakPolarHBondContact ND2-CD1 3.22Å; N330-F349 WeakPolarHBondContact ND2-CE1 3.43Å; N330-C354 HydrophobicContact CB-CB 4.5Å; N330-C354 WeakPolarHBondContact CB-O 3.46Å; N330-C354 PolarHBondContact N-O 3.02Å; N330-C354 PolarHBondContact ND2-O 3.44Å; N330-C354 WeakPolarHBondContact O-CB 3.41Å |
| 331 | G | 90.4 | Very high | 87.7 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.3 | -176.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | C328 V344 | C328-G331 WeakPolarHBondContact CB-O 3.36Å; G331-V344 CarbonylContact C-O 3.5Å; G331-V344 WeakPolarHBondContact CA-O 3.36Å |
| 332 | T | 90.8 | Very high | 87.9 | Confident | 92 Ų | 92 | 68 Ų | 68 | 56% | 0.564 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 152.5 | 179.8 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | V344 | T332-V344 PolarHBondContact N-O 2.96Å; T332-V344 PolarHBondContact O-N 2.83Å |
| 333 | K | 90.7 | Very high | 88.2 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128.8 | 174.3 | -63.3 | 177.3 | -172.3 | 178.6 | 0 | 108.9 | L323 S326 N327 | L323-K333 VanDerWaalsContact O-CD 3.28Å; L323-K333 WeakPolarHBondContact O-CD 3.31Å; L323-K333 WeakPolarHBondContact O-CE 3.4Å; L323-K333 PolarHBondContact O-NZ 3.07Å; S326-K333 WeakPolarHBondContact O-CE 3.42Å; S326-K333 PolarHBondContact O-NZ 3.09Å; S326-K333 VanDerWaalsContact O-NZ 3.16Å; N327-K333 WeakPolarHBondContact OD1-CE 3.47Å; N327-K333 PolarHBondContact OD1-NZ 3.34Å |
| 334 | G | 89.5 | Confident | 88.3 | Confident | 18 Ų | 18 | 71.6 Ų | 71.6 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | -173.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L341 K342 | G334-L341 CarbonylContact O-C 3.5Å; G334-L341 WeakPolarHBondContact O-CA 3.5Å; G334-K342 PolarHBondContact N-O 3.43Å; G334-K342 PolarHBondContact O-N 2.95Å; G334-K342 VanDerWaalsContact O-O 3.13Å |
| 335 | V | 88.5 | Confident | 88.7 | Confident | 77 Ų | 77 | 65.8 Ų | 65.8 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143.7 | -178.3 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | D339 H340 L341 K342 | V335-D339 VanDerWaalsContact CG1-C 3.42Å; V335-D339 HydrophobicContact CG1-CB 4.33Å; V335-H340 CarbonylContact C-O 3.44Å; V335-H340 VanDerWaalsContact CA-O 3.29Å; V335-H340 WeakPolarHBondContact CA-O 3.39Å; V335-L341 HydrophobicContact CG2-CD2 4.26Å; V335-K342 WeakPolarHBondContact O-CE 3.45Å |
| 336 | D | 84.6 | Confident | 88.8 | Confident | 37 Ų | 37 | 63.6 Ų | 63.6 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | trans | -85.9 | -177.1 | 173.7 | 82 | 2.2 | 0 | 0 | 0 | 112.9 | N338 D339 H340 K342 | D336-N338 PolarHBondContact O-N 2.9Å; D336-N338 VanDerWaalsContact OD1-C 3.28Å; D336-N338 WeakPolarHBondContact OD1-CA 3.46Å; D336-N338 PolarHBondContact OD1-N 2.04Å; D336-D339 PolarHBondContact O-N 2.69Å; D336-D339 PolarHBondContact OD1-N 3.38Å; D336-D339 VanDerWaalsContact OD1-N 3.15Å; D336-H340 PolarHBondContact N-O 2.95Å; D336-H340 IonicContact OD1-CG 3.8Å; D336-H340 PolarHBondContact OD1-N 2.84Å; D336-H340 IonicContact OD1-ND1 3.68Å; D336-H340 PolarHBondContact OD1-ND1 3.11Å; D336-H340 IonicContact OD2-CG 3.34Å; D336-H340 IonicContact OD2-ND1 3.71Å; D336-H340 PolarHBondContact OD2-ND1 2.78Å; D336-K342 HydrophobicContact CB-CD 4.09Å | ||
| 337 | A | 84.3 | Confident | 88.8 | Confident | 105 Ų | 105 | 67.1 Ų | 67.1 | 87% | 0.868 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -13.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 338 | N | 83.9 | Confident | 88.7 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 62% | 0.62 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 19.5 | -179.1 | -62.8 | -39.9 | 0 | 0 | 0 | 111.8 | D336 H340 | D336-N338 PolarHBondContact O-N 2.9Å; D336-N338 VanDerWaalsContact OD1-C 3.28Å; D336-N338 WeakPolarHBondContact OD1-CA 3.46Å; D336-N338 PolarHBondContact OD1-N 2.04Å; N338-H340 VanDerWaalsContact C-N 3.33Å; N338-H340 PolarHBondContact O-N 2.76Å |
| 339 | D | 83.8 | Confident | 88.6 | Confident | 94 Ų | 94 | 65 Ų | 65 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 65.9 | 16.2 | -176.1 | -61.6 | -31.1 | 0 | 0 | 0 | 116.7 | K313 V335 D336 | K313-D339 WeakPolarHBondContact CB-O 3.04Å; K313-D339 HydrophobicContact CD-CB 3.84Å; K313-D339 HydrophobicContact CG-CB 4.45Å; K313-D339 IonicContact NZ-OD2 2.7Å; K313-D339 PolarHBondContact NZ-OD2 3.35Å; V335-D339 VanDerWaalsContact CG1-C 3.42Å; V335-D339 HydrophobicContact CG1-CB 4.33Å; D336-D339 PolarHBondContact O-N 2.69Å; D336-D339 PolarHBondContact OD1-N 3.38Å; D336-D339 VanDerWaalsContact OD1-N 3.15Å |
| 340 | H | 86.3 | Confident | 88.5 | Confident | 46 Ų | 46 | 63.5 Ų | 63.5 | 21% | 0.213 | 38% | 0.375 | C | S | . | . | trans | -81.4 | 140.3 | 174.4 | -57.4 | 90.1 | 0 | 0 | 0 | 111.5 | K313 V335 D336 N338 K342 | K313-H340 CarbonylContact O-C 3.58Å; K313-H340 WeakPolarHBondContact O-CA 3.05Å; V335-H340 CarbonylContact C-O 3.44Å; V335-H340 VanDerWaalsContact CA-O 3.29Å; V335-H340 WeakPolarHBondContact CA-O 3.39Å; D336-H340 PolarHBondContact N-O 2.95Å; D336-H340 IonicContact OD1-CG 3.8Å; D336-H340 PolarHBondContact OD1-N 2.84Å; D336-H340 IonicContact OD1-ND1 3.68Å; D336-H340 PolarHBondContact OD1-ND1 3.11Å; D336-H340 IonicContact OD2-CG 3.34Å; D336-H340 IonicContact OD2-ND1 3.71Å; D336-H340 PolarHBondContact OD2-ND1 2.78Å; N338-H340 VanDerWaalsContact C-N 3.33Å; N338-H340 PolarHBondContact O-N 2.76Å; H340-K342 PolarHBondContact O-N 2.98Å | ||
| 341 | L | 88 | Confident | 88.3 | Confident | 39 Ų | 39 | 63.1 Ų | 63.1 | 20% | 0.204 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 134.7 | 169.1 | -66.4 | -178.2 | 0 | 0 | 0 | 109.8 | K313 N314 V316 L323 G334 V335 | K313-L341 PolarHBondContact O-N 3.5Å; N314-L341 HydrophobicContact CB-CD1 4.31Å; V316-L341 WeakPolarHBondContact CA-O 3.42Å; L323-L341 HydrophobicContact CB-CB 3.8Å; L323-L341 HydrophobicContact CB-CD1 3.93Å; L323-L341 HydrophobicContact CD1-CB 3.86Å; L323-L341 HydrophobicContact CG-CB 4.38Å; G334-L341 CarbonylContact O-C 3.5Å; G334-L341 WeakPolarHBondContact O-CA 3.5Å; V335-L341 HydrophobicContact CG2-CD2 4.26Å |
| 342 | K | 91.4 | Very high | 88.2 | Confident | 85 Ų | 85 | 65 Ų | 65 | 37% | 0.37 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.4 | 171.2 | 68.3 | 176.6 | -179.7 | -174.9 | 0 | 110.5 | L323 G334 V335 D336 H340 | L323-K342 VanDerWaalsContact CD1-CA 3.41Å; G334-K342 PolarHBondContact N-O 3.43Å; G334-K342 PolarHBondContact O-N 2.95Å; G334-K342 VanDerWaalsContact O-O 3.13Å; V335-K342 WeakPolarHBondContact O-CE 3.45Å; D336-K342 HydrophobicContact CB-CD 4.09Å; H340-K342 PolarHBondContact O-N 2.98Å |
| 343 | C | 91.9 | Very high | 88.2 | Confident | 17 Ų | 17 | 62.6 Ų | 62.6 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.7 | 165.6 | -70.7 | 0 | 0 | 0 | 0 | 110.5 | L323 C328 T352 C354 | L323-C343 VanDerWaalsContact CD2-SG 3.57Å; C328-C343 VanDerWaalsContact CA-SG 3.51Å; C328-C343 HydrophobicContact CB-CB 3.78Å; C328-C343 WeakPolarHBondContact CB-SG 3.29Å; C328-C343 WeakPolarHBondContact SG-CA 3.3Å; C328-C343 WeakPolarHBondContact SG-CB 3.34Å; C328-C343 CovalentContact SG-SG 2.03Å; C328-C343 PolarHBondContact SG-SG 2.75Å; C343-T352 WeakPolarHBondContact CB-O 3.18Å; C343-C354 VanDerWaalsContact CB-SG 3.51Å |
| 344 | V | 90.9 | Very high | 88.3 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 109.4 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 107 | G331 T332 | G331-V344 CarbonylContact C-O 3.5Å; G331-V344 WeakPolarHBondContact CA-O 3.36Å; T332-V344 PolarHBondContact N-O 2.96Å; T332-V344 PolarHBondContact O-N 2.83Å |
| 345 | C | 90.9 | Very high | 88.2 | Confident | 41 Ų | 41 | 62.2 Ų | 62.2 | 28% | 0.277 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 143.8 | -173.6 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | F349 C354 | C345-F349 HydrophobicContact CB-CB 4.18Å; C345-F349 VanDerWaalsContact CB-O 3.23Å; C345-F349 WeakPolarHBondContact CB-O 3.39Å; C345-C354 WeakPolarHBondContact CA-SG 3.49Å; C345-C354 HydrophobicContact CB-CB 3.57Å; C345-C354 WeakPolarHBondContact CB-SG 3.47Å; C345-C354 PolarHBondContact N-SG 3.33Å; C345-C354 VanDerWaalsContact N-SG 3.38Å; C345-C354 WeakPolarHBondContact SG-CA 3.45Å; C345-C354 WeakPolarHBondContact SG-CB 3.32Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 2.92Å |
| 346 | D | 89.9 | Confident | 88.1 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 40% | 0.401 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 152.3 | 171.3 | -67.4 | -30.6 | 0 | 0 | 0 | 110.3 | N330 G348 F349 | N330-D346 PolarHBondContact O-N 3.34Å; D346-G348 PolarHBondContact O-N 3.42Å; D346-G348 VanDerWaalsContact O-N 3.14Å; D346-F349 HydrophobicContact CB-CD2 4.07Å; D346-F349 PolarHBondContact O-N 3.12Å |
| 347 | P | 86.8 | Confident | 87.8 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 78% | 0.779 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 123.1 | 178.8 | -26 | 34.4 | 0 | 0 | 0 | 111.8 | ||
| 348 | G | 87.2 | Confident | 87 | Confident | 18 Ų | 18 | 66.1 Ų | 66.1 | 19% | 0.186 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | -11.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D346 R358 | D346-G348 PolarHBondContact O-N 3.42Å; D346-G348 VanDerWaalsContact O-N 3.14Å; G348-R358 PolarHBondContact O-N 3.11Å |
| 349 | F | 89.4 | Confident | 85.8 | Confident | 68 Ų | 68 | 68.2 Ų | 68.2 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 149.5 | 176.4 | -63.3 | -88.3 | 0 | 0 | 0 | 112.3 | N330 C345 D346 C354 T356 | N330-F349 HydrophobicContact CB-CB 4.01Å; N330-F349 HydrophobicContact CB-CD1 3.56Å; N330-F349 HydrophobicContact CB-CD2 3.54Å; N330-F349 HydrophobicContact CB-CE1 3.82Å; N330-F349 HydrophobicContact CB-CE2 3.79Å; N330-F349 HydrophobicContact CB-CG 3.41Å; N330-F349 VanDerWaalsContact CB-CG 3.41Å; N330-F349 HydrophobicContact CB-CZ 3.92Å; N330-F349 VanDerWaalsContact ND2-CD1 3.28Å; N330-F349 WeakPolarHBondContact ND2-CD1 3.22Å; N330-F349 WeakPolarHBondContact ND2-CE1 3.43Å; C345-F349 HydrophobicContact CB-CB 4.18Å; C345-F349 VanDerWaalsContact CB-O 3.23Å; C345-F349 WeakPolarHBondContact CB-O 3.39Å; D346-F349 HydrophobicContact CB-CD2 4.07Å; D346-F349 PolarHBondContact O-N 3.12Å; F349-C354 HydrophobicContact CB-CB 4.35Å; F349-T356 CarbonylContact C-O 3.53Å; F349-T356 WeakPolarHBondContact CA-O 3.27Å |
| 350 | T | 88.6 | Confident | 84.4 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 37% | 0.374 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 173 | -179.4 | 56.7 | 0 | 0 | 0 | 0 | 110.5 | C354 D355 T356 | T350-C354 CarbonylContact O-C 3.49Å; T350-C354 WeakPolarHBondContact O-CA 3.46Å; T350-D355 PolarHBondContact O-N 2.92Å; T350-T356 PolarHBondContact N-O 2.79Å; T350-T356 VanDerWaalsContact O-CB 3.31Å; T350-T356 WeakPolarHBondContact O-CB 3.15Å; T350-T356 PolarHBondContact O-N 2.94Å; T350-T356 PolarHBondContact OG1-O 3.23Å |
| 351 | G | 87 | Confident | 82.6 | Confident | 41 Ų | 41 | 76.3 Ų | 76.3 | 42% | 0.423 | 42% | 0.422 | S | S | . | . | S | Bend | trans | 101.4 | 164.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L353 C354 | G351-L353 PolarHBondContact O-N 3.04Å; G351-C354 PolarHBondContact O-N 2.67Å; G351-C354 VanDerWaalsContact O-N 3.12Å |
| 352 | T | 88.5 | Confident | 80.6 | Confident | 60 Ų | 60 | 83.5 Ų | 83.5 | 37% | 0.368 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -28.1 | -174.3 | -42.1 | 0 | 0 | 0 | 0 | 112.8 | V316 T319 I321 C343 | V316-T352 HydrophobicContact CB-CG2 3.85Å; V316-T352 HydrophobicContact CG1-CG2 3.59Å; V316-T352 HydrophobicContact CG2-CG2 3.97Å; T319-T352 HydrophobicContact CG2-CG2 4.19Å; I321-T352 HydrophobicContact CD1-CG2 3.78Å; C343-T352 WeakPolarHBondContact CB-O 3.18Å |
| 353 | L | 90.7 | Very high | 78.3 | Confident | 40 Ų | 40 | 87.4 Ų | 87.4 | 21% | 0.209 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 8.1 | 175.3 | -68.2 | 178.2 | 0 | 0 | 0 | 113.5 | I321 L323 V329 G351 D355 | I321-L353 HydrophobicContact CD1-CG 4.41Å; I321-L353 HydrophobicContact CG2-CD2 3.71Å; I321-L353 HydrophobicContact CG2-CG 4.31Å; L323-L353 HydrophobicContact CD2-CD2 3.74Å; V329-L353 HydrophobicContact CG2-CB 4.4Å; V329-L353 PolarHBondContact N-O 2.92Å; G351-L353 PolarHBondContact O-N 3.04Å; L353-D355 VanDerWaalsContact C-N 3.28Å; L353-D355 PolarHBondContact O-N 3.46Å |
| 354 | C | 91.5 | Very high | 76.1 | Confident | 0 Ų | 0 | 91.5 Ų | 91.5 | 0% | 0 | 50% | 0.5 | C | S | . | . | S | Bend | trans | 59.8 | 37.4 | -174.8 | -47.8 | 0 | 0 | 0 | 0 | 113.8 | N330 C343 C345 F349 T350 G351 | N330-C354 HydrophobicContact CB-CB 4.5Å; N330-C354 WeakPolarHBondContact CB-O 3.46Å; N330-C354 PolarHBondContact N-O 3.02Å; N330-C354 PolarHBondContact ND2-O 3.44Å; N330-C354 WeakPolarHBondContact O-CB 3.41Å; C343-C354 VanDerWaalsContact CB-SG 3.51Å; C345-C354 WeakPolarHBondContact CA-SG 3.49Å; C345-C354 HydrophobicContact CB-CB 3.57Å; C345-C354 WeakPolarHBondContact CB-SG 3.47Å; C345-C354 PolarHBondContact N-SG 3.33Å; C345-C354 VanDerWaalsContact N-SG 3.38Å; C345-C354 WeakPolarHBondContact SG-CA 3.45Å; C345-C354 WeakPolarHBondContact SG-CB 3.32Å; C345-C354 CovalentContact SG-SG 2.03Å; C345-C354 PolarHBondContact SG-SG 2.92Å; F349-C354 HydrophobicContact CB-CB 4.35Å; T350-C354 CarbonylContact O-C 3.49Å; T350-C354 WeakPolarHBondContact O-CA 3.46Å; G351-C354 PolarHBondContact O-N 2.67Å; G351-C354 VanDerWaalsContact O-N 3.12Å |
| 355 | D | 87.7 | Confident | 73.7 | Confident | 96 Ų | 96 | 93 Ų | 93 | 51% | 0.513 | 51% | 0.514 | S | S | . | . | trans | -90 | -18.7 | -178.5 | 59.7 | -29.1 | 0 | 0 | 0 | 113 | V329 T350 L353 G357 | V329-D355 HydrophobicContact CG2-CB 4.15Å; T350-D355 PolarHBondContact O-N 2.92Å; L353-D355 VanDerWaalsContact C-N 3.28Å; L353-D355 PolarHBondContact O-N 3.46Å; D355-G357 PolarHBondContact O-N 2.89Å | ||
| 356 | T | 86.6 | Confident | 71.3 | Confident | 76 Ų | 76 | 101.4 Ų | 101.4 | 47% | 0.466 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 99.5 | -178.1 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | F349 T350 | F349-T356 CarbonylContact C-O 3.53Å; F349-T356 WeakPolarHBondContact CA-O 3.27Å; T350-T356 PolarHBondContact N-O 2.79Å; T350-T356 VanDerWaalsContact O-CB 3.31Å; T350-T356 WeakPolarHBondContact O-CB 3.15Å; T350-T356 PolarHBondContact O-N 2.94Å; T350-T356 PolarHBondContact OG1-O 3.23Å |
| 357 | G | 78.7 | Confident | 69.2 | Low | 40 Ų | 40 | 107.4 Ų | 107.4 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 136.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D355 | D355-G357 PolarHBondContact O-N 2.89Å |
| 358 | R | 68.3 | Low | 67.3 | Low | 184 Ų | 184 | 108.3 Ų | 108.3 | 69% | 0.694 | 56% | 0.556 | S | S | * | * | trans | -81.2 | 118.1 | 166.4 | -73.8 | -172.4 | -177.5 | -178.3 | 1.7 | 109.1 | G348 Y360 | G348-R358 PolarHBondContact O-N 3.11Å; R358-Y360 PolarHBondContact O-N 3.47Å; R358-Y360 VanDerWaalsContact O-N 3.08Å | ||
| 359 | D | 57.7 | Low | 65.2 | Low | 161 Ų | 161 | 112.9 Ų | 112.9 | 86% | 0.861 | 59% | 0.585 | S | S | * | * | trans | -60.3 | 111.4 | 167 | -81.2 | -34.5 | 0 | 0 | 0 | 109.5 | V361 | D359-V361 PolarHBondContact O-N 2.8Å; D359-V361 VanDerWaalsContact O-N 3.07Å | ||
| 360 | Y | 54.2 | Low | 63 | Low | 184 Ų | 184 | 114.6 Ų | 114.6 | 72% | 0.722 | 61% | 0.605 | S | S | * | * | trans | -70.5 | 102.5 | 167.9 | -71.9 | -88.7 | 0 | 0 | 0 | 108.2 | R358 K362 | R358-Y360 PolarHBondContact O-N 3.47Å; R358-Y360 VanDerWaalsContact O-N 3.08Å; Y360-K362 PolarHBondContact O-N 3.15Å | ||
| 361 | V | 49.4 | Very low | 61.1 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 76% | 0.758 | 63% | 0.625 | S | S | * | * | trans | -62.7 | 105.1 | 165.4 | -178 | 0 | 0 | 0 | 0 | 107.3 | D359 L363 | D359-V361 PolarHBondContact O-N 2.8Å; D359-V361 VanDerWaalsContact O-N 3.07Å; V361-L363 PolarHBondContact O-N 3.34Å | ||
| 362 | K | 44.7 | Very low | 59.6 | Low | 191 Ų | 191 | 125.2 Ų | 125.2 | 83% | 0.83 | 65% | 0.647 | S | S | * | * | trans | -58.8 | 106.8 | 169.1 | -114.1 | 178.6 | 179.3 | 175.2 | 0 | 107.7 | Y360 V364 | Y360-K362 PolarHBondContact O-N 3.15Å; K362-V364 PolarHBondContact O-N 3.02Å | ||
| 363 | L | 43.5 | Very low | 57.4 | Low | 166 Ų | 166 | 135.1 Ų | 135.1 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | trans | -66 | 101.2 | 166.2 | -72.2 | 170.5 | 0 | 0 | 0 | 107.5 | V361 S365 | V361-L363 PolarHBondContact O-N 3.34Å; L363-S365 PolarHBondContact O-N 3.11Å; L363-S365 VanDerWaalsContact O-N 3.11Å | ||
| 364 | V | 45.2 | Very low | 55.8 | Low | 104 Ų | 104 | 139.9 Ų | 139.9 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | trans | -71.8 | 101.7 | 170.2 | -174.8 | 0 | 0 | 0 | 0 | 107 | K362 W366 | K362-V364 PolarHBondContact O-N 3.02Å; V364-W366 PolarHBondContact O-N 3.25Å | ||
| 365 | S | 42 | Very low | 53.9 | Low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -73.9 | 101.9 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | L363 Y367 | L363-S365 PolarHBondContact O-N 3.11Å; L363-S365 VanDerWaalsContact O-N 3.11Å; S365-Y367 PolarHBondContact O-N 3.26Å | ||
| 366 | W | 40.4 | Very low | 52 | Low | 217 Ų | 217 | 150.1 Ų | 150.1 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | trans | -81.1 | 104.1 | 166.6 | -67.3 | 84.8 | 0 | 0 | 0 | 109.3 | V364 | V364-W366 PolarHBondContact O-N 3.25Š| ||
| 367 | Y | 46.3 | Very low | 50 | Low | 201 Ų | 201 | 154.5 Ų | 154.5 | 79% | 0.788 | 78% | 0.781 | S | S | * | * | trans | -136.8 | 91.3 | 157.9 | -89.1 | -86.5 | 0 | 0 | 0 | 106.9 | S365 | S365-Y367 PolarHBondContact O-N 3.26Š| ||
| 368 | L | 46.3 | Very low | 48.2 | Very low | 140 Ų | 140 | 161.6 Ų | 161.6 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | 84.1 | 89.6 | 95.9 | -90.5 | 161.2 | 0 | 0 | 0 | 111.5 | |||||
| 369 | S | 42.8 | Very low | 46.9 | Very low | 114 Ų | 114 | 160.1 Ų | 160.1 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -45.9 | 129.5 | 149.1 | 23.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 370 | S | 43.4 | Very low | 46.1 | Very low | 103 Ų | 103 | 160.1 Ų | 160.1 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | trans | -123.6 | 123.4 | 159.6 | -143.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 371 | P | 48.2 | Very low | 45.5 | Very low | 122 Ų | 122 | 158.2 Ų | 158.2 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -85 | 126.1 | 178.1 | 32.7 | -28.4 | 0 | 0 | 0 | 109.2 | ||||
| 372 | F | 55.1 | Low | 45.1 | Very low | 204 Ų | 204 | 161 Ų | 161 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | -95.5 | 134.2 | 161.2 | -94.8 | -89.8 | 0 | 0 | 0 | 108.9 | ||||
| 373 | H | 44.1 | Very low | 45.2 | Very low | 268 Ų | 268 | 158.3 Ų | 158.3 | 100% | 1.241 | 82% | 0.818 | S | S | * | * | trans | -53.9 | 0 | -176.8 | -94.8 | -33 | 0 | 0 | 0 | 115.3 |
Retrieved 373 of 373 residues in 414.2 ms
(Link to these results)