| 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 | 48.3 | Very low | 58.9 | Low | 243 Ų | 243 | 150.5 Ų | 150.5 | 100% | 1.197 | 78% | 0.783 | S | S | * | * | 0 | 118 | 0 | -69.1 | -177.7 | 169.4 | 0 | 0 | 108.1 | Q3 | M1-Q3 PolarHBondContact O-N 2.62Š| |||
| 2 | A | 49.3 | Very low | 60.4 | Low | 108 Ų | 108 | 141 Ų | 141 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | trans | -71 | 118.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A4 | A2-A4 PolarHBondContact O-N 3.39Š| ||
| 3 | Q | 53.6 | Low | 62 | Low | 189 Ų | 189 | 137.5 Ų | 137.5 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -72.3 | 112.6 | 173.1 | -66.5 | -174.8 | 7.1 | 0 | 0 | 108.8 | M1 S5 | M1-Q3 PolarHBondContact O-N 2.62Å; Q3-S5 PolarHBondContact O-N 2.81Å | ||
| 4 | A | 50 | Low | 63.6 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | trans | -66 | 111.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109 | A2 K6 | A2-A4 PolarHBondContact O-N 3.39Å; A4-K6 PolarHBondContact O-N 3.48Å; A4-K6 VanDerWaalsContact O-N 3.13Å | ||
| 5 | S | 55.6 | Low | 65.1 | Low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 68% | 0.68 | S | S | * | * | trans | -67.9 | 112.1 | 173.5 | 61.4 | 0 | 0 | 0 | 0 | 109.3 | Q3 K7 | Q3-S5 PolarHBondContact O-N 2.81Å; S5-K7 PolarHBondContact O-N 3.18Å; S5-K7 VanDerWaalsContact O-N 3.11Å | ||
| 6 | K | 63.7 | Low | 66.6 | Low | 202 Ų | 202 | 121.8 Ų | 121.8 | 88% | 0.878 | 64% | 0.643 | S | S | * | * | trans | -70 | 107 | 172.1 | -66.5 | 178 | -177 | 174.7 | 0 | 107.5 | A4 C8 | A4-K6 PolarHBondContact O-N 3.48Å; A4-K6 VanDerWaalsContact O-N 3.13Å; K6-C8 PolarHBondContact O-N 2.87Å | ||
| 7 | K | 60.8 | Low | 67.9 | Low | 200 Ų | 200 | 123.8 Ų | 123.8 | 87% | 0.87 | 64% | 0.64 | S | S | * | * | trans | -59 | 103.5 | 172.8 | -68 | 177.4 | -178.3 | 178.3 | 0 | 108.7 | S5 | S5-K7 PolarHBondContact O-N 3.18Å; S5-K7 VanDerWaalsContact O-N 3.11Å | ||
| 8 | C | 57.7 | Low | 69 | Low | 91 Ų | 91 | 119.8 Ų | 119.8 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 128.7 | 171.6 | -154.6 | 0 | 0 | 0 | 0 | 108.1 | K6 Q10 | K6-C8 PolarHBondContact O-N 2.87Å; C8-Q10 PolarHBondContact O-N 2.98Å |
| 9 | R | 62.8 | Low | 70.1 | Confident | 171 Ų | 171 | 113.5 Ų | 113.5 | 65% | 0.645 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 116.2 | 173.1 | -71.4 | -178.1 | 177.3 | -137.7 | -3.4 | 107.7 | M44 | R9-M44 HydrophobicContact CB-CE 4.23Å; R9-M44 VanDerWaalsContact O-CE 3.25Å; R9-M44 WeakPolarHBondContact O-CE 3.38Å |
| 10 | Q | 70 | Confident | 71.1 | Confident | 181 Ų | 181 | 107.8 Ų | 107.8 | 85% | 0.846 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 147.1 | 170.2 | -71.3 | 175.2 | -19.9 | 0 | 0 | 109.7 | C8 S12 | C8-Q10 PolarHBondContact O-N 2.98Å; Q10-S12 PolarHBondContact O-N 3Å |
| 11 | Y | 75.9 | Confident | 71.9 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 28% | 0.275 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -64 | 127.6 | 174.2 | 173.5 | -89.7 | 0 | 0 | 0 | 109.1 | Y15 F20 A21 V22 M44 | Y11-Y15 AromaticContact CD2-CD2 3.84Å; Y11-Y15 HydrophobicContact CD2-CD2 3.84Å; Y11-Y15 AromaticContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CG 4.46Å; Y11-Y15 HydrophobicContact CG-CD2 4.43Å; Y11-F20 PolarHBondContact OH-O 3.45Å; Y11-A21 WeakPolarHBondContact OH-CA 3.25Å; Y11-V22 HydrophobicContact CD1-CG2 3.97Å; Y11-V22 HydrophobicContact CD2-CG2 3.52Å; Y11-V22 HydrophobicContact CE1-CG2 4.39Å; Y11-V22 HydrophobicContact CE2-CG2 3.99Å; Y11-V22 HydrophobicContact CG-CG2 3.53Å; Y11-M44 HydrophobicContact CD2-SD 3.72Å; Y11-M44 HydrophobicContact CG-SD 4.33Å |
| 12 | S | 77.6 | Confident | 73.8 | Confident | 37 Ų | 37 | 92.5 Ų | 92.5 | 26% | 0.259 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 135.3 | 173.3 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | Q10 E14 Y15 | Q10-S12 PolarHBondContact O-N 3Å; S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.1Å; S12-E14 WeakPolarHBondContact OG-CB 3.12Å; S12-E14 WeakPolarHBondContact OG-CG 3.18Å; S12-E14 PolarHBondContact OG-N 3.3Å; S12-Y15 WeakPolarHBondContact O-CB 3.36Å; S12-Y15 WeakPolarHBondContact O-CD2 3.33Å; S12-Y15 PolarHBondContact O-N 3.16Å |
| 13 | S | 81.2 | Confident | 75 | Confident | 95 Ų | 95 | 88.6 Ų | 88.6 | 66% | 0.664 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -58.5 | -20.1 | 173.4 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | Y15 L16 | S13-Y15 PolarHBondContact O-N 3.34Å; S13-L16 WeakPolarHBondContact O-CB 3.39Å; S13-L16 PolarHBondContact O-N 2.82Å; S13-L16 VanDerWaalsContact O-N 3.15Å |
| 14 | E | 84.5 | Confident | 75.9 | Confident | 123 Ų | 123 | 82 Ų | 82 | 58% | 0.575 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -63.1 | -21.6 | 174.2 | -61.7 | -177.3 | 159.8 | 0 | 0 | 113.3 | S12 L16 R17 | S12-E14 PolarHBondContact O-N 3.35Å; S12-E14 VanDerWaalsContact O-N 3.1Å; S12-E14 WeakPolarHBondContact OG-CB 3.12Å; S12-E14 WeakPolarHBondContact OG-CG 3.18Å; S12-E14 PolarHBondContact OG-N 3.3Å; E14-L16 PolarHBondContact O-N 3.37Å; E14-R17 WeakPolarHBondContact O-CB 2.92Å; E14-R17 VanDerWaalsContact O-CG 3.3Å; E14-R17 WeakPolarHBondContact O-CG 3.22Å; E14-R17 PolarHBondContact O-N 2.8Å |
| 15 | Y | 86.4 | Confident | 76.9 | Confident | 22 Ų | 22 | 81.8 Ų | 81.8 | 9% | 0.086 | 42% | 0.424 | C | S | . | . | G | 310 helix | trans | -68.6 | -15.7 | 176.9 | -59.7 | -39.7 | 0 | 0 | 0 | 113.3 | Y11 S12 S13 R17 F18 F20 M44 P46 L49 | Y11-Y15 AromaticContact CD2-CD2 3.84Å; Y11-Y15 HydrophobicContact CD2-CD2 3.84Å; Y11-Y15 AromaticContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CD2 3.94Å; Y11-Y15 HydrophobicContact CE2-CG 4.46Å; Y11-Y15 HydrophobicContact CG-CD2 4.43Å; S12-Y15 WeakPolarHBondContact O-CB 3.36Å; S12-Y15 WeakPolarHBondContact O-CD2 3.33Å; S12-Y15 PolarHBondContact O-N 3.16Å; S13-Y15 PolarHBondContact O-N 3.34Å; Y15-R17 PolarHBondContact O-N 3.18Å; Y15-F18 HydrophobicContact CD1-CD2 4.33Å; Y15-F18 HydrophobicContact CD1-CE2 4.44Å; Y15-F18 PolarHBondContact O-N 3.39Å; Y15-F20 CarbonylContact C-O 3.52Å; Y15-F20 PolarHBondContact O-N 3.48Å; Y15-M44 HydrophobicContact CD2-CG 3.88Å; Y15-M44 HydrophobicContact CD2-SD 3.94Å; Y15-M44 HydrophobicContact CE2-CE 3.93Å; Y15-M44 HydrophobicContact CE2-CG 3.6Å; Y15-M44 HydrophobicContact CE2-SD 3.72Å; Y15-P46 HydrophobicContact CE1-CB 4.37Å; Y15-P46 HydrophobicContact CE1-CG 3.97Å; Y15-L49 HydrophobicContact CD1-CD1 3.71Å; Y15-L49 HydrophobicContact CE1-CD1 4.36Å; Y15-L49 HydrophobicContact CG-CD1 3.82Å |
| 16 | L | 88.8 | Confident | 77.4 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -59.6 | -30.1 | 172.4 | -170 | 60.4 | 0 | 0 | 0 | 112.1 | S13 E14 F18 G19 F20 L33 V65 Y68 Q69 K72 | S13-L16 WeakPolarHBondContact O-CB 3.39Å; S13-L16 PolarHBondContact O-N 2.82Å; S13-L16 VanDerWaalsContact O-N 3.15Å; E14-L16 PolarHBondContact O-N 3.37Å; L16-F18 PolarHBondContact O-N 3.19Å; L16-G19 PolarHBondContact O-N 2.93Å; L16-F20 WeakPolarHBondContact CA-O 3.45Å; L16-F20 PolarHBondContact N-O 2.81Å; L16-L33 HydrophobicContact CD1-CD1 3.8Å; L16-V65 HydrophobicContact CD2-CG1 4.47Å; L16-Y68 WeakPolarHBondContact O-CB 3.44Å; L16-Q69 HydrophobicContact CD2-CB 4.4Å; L16-Q69 HydrophobicContact CD2-CG 3.38Å; L16-Q69 HydrophobicContact CG-CG 4.49Å; L16-K72 HydrophobicContact CD1-CB 4.49Å; L16-K72 HydrophobicContact CD1-CD 4.32Å |
| 17 | R | 88.1 | Confident | 78 | Confident | 155 Ų | 155 | 76.1 Ų | 76.1 | 59% | 0.585 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -60.9 | -24.3 | 174.9 | -54.9 | -164.9 | 169.1 | 168.5 | -4.2 | 113.2 | E14 Y15 V65 | E14-R17 WeakPolarHBondContact O-CB 2.92Å; E14-R17 VanDerWaalsContact O-CG 3.3Å; E14-R17 WeakPolarHBondContact O-CG 3.22Å; E14-R17 PolarHBondContact O-N 2.8Å; Y15-R17 PolarHBondContact O-N 3.18Å; R17-V65 HydrophobicContact CB-CG2 4.31Å; R17-V65 HydrophobicContact CG-CB 4.47Å; R17-V65 HydrophobicContact CG-CG1 4.16Å; R17-V65 HydrophobicContact CG-CG2 3.56Å |
| 18 | F | 88.2 | Confident | 78.7 | Confident | 52 Ų | 52 | 73.5 Ų | 73.5 | 23% | 0.228 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -96.2 | 6.2 | 176.7 | -53.5 | -66.6 | 0 | 0 | 0 | 112.7 | Y15 L16 F20 P46 L49 K50 | Y15-F18 HydrophobicContact CD1-CD2 4.33Å; Y15-F18 HydrophobicContact CD1-CE2 4.44Å; Y15-F18 PolarHBondContact O-N 3.39Å; L16-F18 PolarHBondContact O-N 3.19Å; F18-F20 HydrophobicContact CB-CD2 3.85Å; F18-F20 HydrophobicContact CB-CE2 4.21Å; F18-F20 WeakPolarHBondContact O-CD2 3.35Å; F18-F20 VanDerWaalsContact O-CE2 3.3Å; F18-F20 WeakPolarHBondContact O-CE2 3.44Å; F18-P46 HydrophobicContact CE2-CB 3.96Å; F18-P46 HydrophobicContact CZ-CB 4.25Å; F18-L49 HydrophobicContact CB-CB 3.99Å; F18-L49 HydrophobicContact CD2-CB 4.33Å; F18-L49 HydrophobicContact CD2-CD1 4.43Å; F18-L49 HydrophobicContact CG-CB 4.23Å; F18-K50 HydrophobicContact CD1-CB 4.02Å; F18-K50 HydrophobicContact CD1-CG 4.42Å; F18-K50 HydrophobicContact CE1-CB 4.03Å; F18-K50 HydrophobicContact CE1-CD 4.35Å; F18-K50 HydrophobicContact CE1-CG 4.31Å |
| 19 | G | 89.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 27.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L16 L33 | L16-G19 PolarHBondContact O-N 2.93Å; G19-L33 PolarHBondContact O-N 3.45Å |
| 20 | F | 90.3 | Very high | 81 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.6 | 178.8 | -68.5 | -92.9 | 0 | 0 | 0 | 111.8 | Y11 Y15 L16 F18 V31 C32 F39 L49 H52 | Y11-F20 PolarHBondContact OH-O 3.45Å; Y15-F20 CarbonylContact C-O 3.52Å; Y15-F20 PolarHBondContact O-N 3.48Å; L16-F20 WeakPolarHBondContact CA-O 3.45Å; L16-F20 PolarHBondContact N-O 2.81Å; F18-F20 HydrophobicContact CB-CD2 3.85Å; F18-F20 HydrophobicContact CB-CE2 4.21Å; F18-F20 WeakPolarHBondContact O-CD2 3.35Å; F18-F20 VanDerWaalsContact O-CE2 3.3Å; F18-F20 WeakPolarHBondContact O-CE2 3.44Å; F20-V31 WeakPolarHBondContact CA-O 3.4Å; F20-C32 HydrophobicContact CD1-CB 4.17Å; F20-C32 HydrophobicContact CE1-CB 3.8Å; F20-C32 HydrophobicContact CZ-CB 4.38Å; F20-F39 HydrophobicContact CD1-CD2 4.36Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 AromaticContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CG 4.37Å; F20-F39 HydrophobicContact CE1-CZ 4.12Å; F20-F39 HydrophobicContact CZ-CE2 4.21Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; F20-L49 HydrophobicContact CD1-CD2 3.85Å; F20-L49 HydrophobicContact CD2-CB 3.84Å; F20-L49 HydrophobicContact CD2-CD1 4.15Å; F20-L49 HydrophobicContact CD2-CD2 3.82Å; F20-L49 HydrophobicContact CD2-CG 4.13Å; F20-L49 HydrophobicContact CE1-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CB 3.56Å; F20-L49 HydrophobicContact CE2-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CG 4.12Å; F20-L49 HydrophobicContact CG-CD1 4.36Å; F20-L49 HydrophobicContact CG-CD2 3.87Å; F20-L49 HydrophobicContact CZ-CB 4.21Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.47Å; F20-H52 HydrophobicContact CZ-CB 4.05Å; F20-H52 AromaticContact CZ-CD2 3.36Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.09Å; F20-H52 AromaticContact CZ-CG 3.88Å |
| 21 | A | 88.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 158.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y11 V31 L33 K72 | Y11-A21 WeakPolarHBondContact OH-CA 3.25Å; A21-V31 PolarHBondContact N-O 2.82Å; A21-V31 PolarHBondContact O-N 2.89Å; A21-L33 HydrophobicContact CB-CD1 4.13Å; A21-L33 HydrophobicContact CB-CD2 3.83Å; A21-L33 HydrophobicContact CB-CG 4.09Å; A21-K72 HydrophobicContact CB-CD 4.01Å; A21-K72 HydrophobicContact CB-CG 4.08Å |
| 22 | V | 86.8 | Confident | 82.7 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 121.9 | 165.4 | 175.7 | 0 | 0 | 0 | 0 | 107.1 | Y11 H28 | Y11-V22 HydrophobicContact CD1-CG2 3.97Å; Y11-V22 HydrophobicContact CD2-CG2 3.52Å; Y11-V22 HydrophobicContact CE1-CG2 4.39Å; Y11-V22 HydrophobicContact CE2-CG2 3.99Å; Y11-V22 HydrophobicContact CG-CG2 3.53Å; V22-H28 HydrophobicContact CG1-CB 4.38Å |
| 23 | M | 75.7 | Confident | 83.2 | Confident | 25 Ų | 25 | 49.9 Ų | 49.9 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -92.5 | 139.5 | 175 | -66.1 | -59.9 | -62.6 | 0 | 0 | 110.1 | G25 T26 V31 L33 K75 E76 | M23-G25 PolarHBondContact O-N 3.39Å; M23-T26 PolarHBondContact O-N 3.29Å; M23-T26 PolarHBondContact O-OG1 3.19Å; M23-V31 HydrophobicContact CB-CG2 4.44Å; M23-V31 HydrophobicContact CG-CB 4.22Å; M23-V31 HydrophobicContact CG-CG2 4.2Å; M23-L33 HydrophobicContact SD-CD2 4.44Å; M23-K75 HydrophobicContact CE-CB 3.83Å; M23-K75 HydrophobicContact SD-CB 4.38Å; M23-E76 HydrophobicContact CE-CG 4.28Å |
| 24 | P | 71.4 | Confident | 83.7 | Confident | 51 Ų | 51 | 47.4 Ų | 47.4 | 33% | 0.331 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 134.9 | 168.7 | 26.6 | -33.2 | 0 | 0 | 0 | 109.6 | E79 | P24-E79 HydrophobicContact CG-CG 4.09Š|
| 25 | G | 70.3 | Confident | 83.9 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 90% | 0.897 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -7.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | M23 | M23-G25 PolarHBondContact O-N 3.39Š|
| 26 | T | 67.5 | Low | 83.9 | Confident | 44 Ų | 44 | 48.8 Ų | 48.8 | 27% | 0.27 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -102.8 | 148.6 | 164.6 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | M23 H28 L29 V31 | M23-T26 PolarHBondContact O-N 3.29Å; M23-T26 PolarHBondContact O-OG1 3.19Å; T26-H28 PolarHBondContact O-N 3.1Å; T26-L29 PolarHBondContact OG1-O 3.46Å; T26-V31 HydrophobicContact CG2-CG2 4.12Å |
| 27 | E | 75.4 | Confident | 83.9 | Confident | 148 Ų | 148 | 54 Ų | 54 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -67.1 | 48.7 | -174.4 | -60.7 | 177.9 | 177 | 0 | 0 | 114.7 | L29 K41 | E27-L29 HydrophobicContact CB-CG 4.33Å; E27-L29 PolarHBondContact O-N 3.2Å; E27-K41 WeakPolarHBondContact O-CE 3.39Å; E27-K41 PolarHBondContact O-NZ 2.87Å; E27-K41 VanDerWaalsContact O-NZ 3.11Å |
| 28 | H | 76.9 | Confident | 84 | Confident | 145 Ų | 145 | 50.5 Ų | 50.5 | 67% | 0.671 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 54.8 | 32.5 | -166.8 | -52.6 | -71.9 | 0 | 0 | 0 | 113.1 | V22 T26 | V22-H28 HydrophobicContact CG1-CB 4.38Å; T26-H28 PolarHBondContact O-N 3.1Å |
| 29 | L | 82.3 | Confident | 83.9 | Confident | 36 Ų | 36 | 49.9 Ų | 49.9 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | trans | -85.5 | 131.9 | 177.3 | -64.6 | 178.5 | 0 | 0 | 0 | 109.4 | T26 E27 V31 V38 K41 | T26-L29 PolarHBondContact OG1-O 3.46Å; E27-L29 HydrophobicContact CB-CG 4.33Å; E27-L29 PolarHBondContact O-N 3.2Å; L29-V31 PolarHBondContact O-N 3.46Å; L29-V38 HydrophobicContact CB-CG1 3.49Å; L29-V38 VanDerWaalsContact CB-CG1 3.49Å; L29-V38 HydrophobicContact CD1-CG1 3.61Å; L29-V38 HydrophobicContact CG-CG1 4.19Å; L29-K41 HydrophobicContact CD2-CD 4.32Å; L29-K41 HydrophobicContact CD2-CG 3.55Å | ||
| 30 | P | 86.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 128.9 | 176.1 | 23 | -29 | 0 | 0 | 0 | 110.2 | F39 M44 | P30-F39 WeakPolarHBondContact CD-O 3.2Å; P30-F39 HydrophobicContact CG-CB 4.03Å; P30-F39 PolarHBondContact O-N 2.98Å; P30-M44 HydrophobicContact CB-SD 4.45Å; P30-M44 HydrophobicContact CG-CB 4.07Å; P30-M44 HydrophobicContact CG-CG 4Å; P30-M44 HydrophobicContact CG-SD 4.05Å |
| 31 | V | 89 | Confident | 83.3 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136 | 177.4 | -173.4 | 0 | 0 | 0 | 0 | 108.7 | F20 A21 M23 T26 L29 L33 R37 V38 | F20-V31 WeakPolarHBondContact CA-O 3.4Å; A21-V31 PolarHBondContact N-O 2.82Å; A21-V31 PolarHBondContact O-N 2.89Å; M23-V31 HydrophobicContact CB-CG2 4.44Å; M23-V31 HydrophobicContact CG-CB 4.22Å; M23-V31 HydrophobicContact CG-CG2 4.2Å; T26-V31 HydrophobicContact CG2-CG2 4.12Å; L29-V31 PolarHBondContact O-N 3.46Å; V31-L33 PolarHBondContact O-N 3.13Å; V31-R37 WeakPolarHBondContact CA-O 3.17Å; V31-V38 HydrophobicContact CG2-CG2 4.16Å |
| 32 | C | 91 | Very high | 82.9 | Confident | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.007 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 123.5 | 170 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | F20 L34 E36 R37 F39 | F20-C32 HydrophobicContact CD1-CB 4.17Å; F20-C32 HydrophobicContact CE1-CB 3.8Å; F20-C32 HydrophobicContact CZ-CB 4.38Å; C32-L34 PolarHBondContact O-N 3.32Å; C32-L34 PolarHBondContact SG-N 3Å; C32-E36 WeakPolarHBondContact O-CA 3.3Å; C32-E36 PolarHBondContact O-N 3.47Å; C32-R37 PolarHBondContact N-O 3.27Å; C32-F39 HydrophobicContact CB-CE2 4.43Å |
| 33 | L | 89.7 | Confident | 82.4 | Confident | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.6 | 179.7 | -66.5 | 173.6 | 0 | 0 | 0 | 113.1 | L16 G19 A21 M23 V31 L71 K72 K75 | L16-L33 HydrophobicContact CD1-CD1 3.8Å; G19-L33 PolarHBondContact O-N 3.45Å; A21-L33 HydrophobicContact CB-CD1 4.13Å; A21-L33 HydrophobicContact CB-CD2 3.83Å; A21-L33 HydrophobicContact CB-CG 4.09Å; M23-L33 HydrophobicContact SD-CD2 4.44Å; V31-L33 PolarHBondContact O-N 3.13Å; L33-L71 HydrophobicContact CB-CD2 3.71Å; L33-L71 HydrophobicContact CB-CG 4.25Å; L33-K72 HydrophobicContact CD1-CB 4.13Å; L33-K75 HydrophobicContact CD2-CD 4.14Å; L33-K75 WeakPolarHBondContact O-CE 3.24Å; L33-K75 PolarHBondContact O-NZ 2.9Å |
| 34 | L | 89.9 | Confident | 82.5 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -41.1 | -176.5 | -59.6 | 174.1 | 0 | 0 | 0 | 113.4 | C32 L53 H57 M60 Y67 Y68 L71 | C32-L34 PolarHBondContact O-N 3.32Å; C32-L34 PolarHBondContact SG-N 3Å; L34-L53 HydrophobicContact CD1-CD1 3.8Å; L34-H57 HydrophobicContact CD1-CB 3.64Å; L34-M60 HydrophobicContact CD1-CB 3.68Å; L34-M60 HydrophobicContact CD1-CG 4.05Å; L34-M60 HydrophobicContact CD2-CG 4.29Å; L34-Y67 HydrophobicContact CD2-CE1 4.36Å; L34-Y68 HydrophobicContact CD1-CE1 4.18Å; L34-Y68 HydrophobicContact CD2-CE1 4.3Å; L34-Y68 HydrophobicContact CG-CE1 4.29Å; L34-L71 HydrophobicContact CD2-CD2 3.79Å |
| 35 | C | 90.2 | Very high | 83.2 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 30% | 0.297 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | 2.6 | -179 | 64.9 | 0 | 0 | 0 | 0 | 114.8 | R37 H52 H57 | C35-R37 PolarHBondContact O-N 2.77Å; C35-H52 PolarHBondContact SG-NE2 3.22Å; C35-H57 WeakPolarHBondContact CB-NE2 3.36Å |
| 36 | E | 86.5 | Confident | 83.9 | Confident | 130 Ų | 130 | 63.9 Ų | 63.9 | 61% | 0.607 | 32% | 0.319 | S | S | * | . | trans | 60.5 | 14.4 | 176.5 | -55 | -172.4 | 171.9 | 0 | 0 | 115 | C32 V38 K75 | C32-E36 WeakPolarHBondContact O-CA 3.3Å; C32-E36 PolarHBondContact O-N 3.47Å; E36-V38 PolarHBondContact O-N 3.08Å; E36-K75 VanDerWaalsContact CG-NZ 3.29Å; E36-K75 IonicContact OE1-NZ 2.71Å; E36-K75 PolarHBondContact OE1-NZ 3.14Å | ||
| 37 | R | 88.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 66 Ų | 66 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | trans | -69.2 | 128 | 174.2 | -72.3 | -178.9 | -178.5 | -131.3 | -13.1 | 110.7 | V31 C32 C35 F39 | V31-R37 WeakPolarHBondContact CA-O 3.17Å; C32-R37 PolarHBondContact N-O 3.27Å; C35-R37 PolarHBondContact O-N 2.77Å; R37-F39 HydrophobicContact CB-CE2 3.86Å; R37-F39 WeakPolarHBondContact O-CD2 3.39Å | ||
| 38 | V | 88.6 | Confident | 85.5 | Confident | 80 Ų | 80 | 64.2 Ų | 64.2 | 49% | 0.485 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -84 | 133.7 | 173.2 | -173 | 0 | 0 | 0 | 0 | 109.5 | L29 V31 E36 | L29-V38 HydrophobicContact CB-CG1 3.49Å; L29-V38 VanDerWaalsContact CB-CG1 3.49Å; L29-V38 HydrophobicContact CD1-CG1 3.61Å; L29-V38 HydrophobicContact CG-CG1 4.19Å; V31-V38 HydrophobicContact CG2-CG2 4.16Å; E36-V38 PolarHBondContact O-N 3.08Å |
| 39 | F | 87.4 | Confident | 86.1 | Confident | 39 Ų | 39 | 57.3 Ų | 57.3 | 17% | 0.171 | 29% | 0.288 | C | S | . | . | trans | -111.3 | 146.3 | 179.4 | -77.1 | -102.7 | 0 | 0 | 0 | 111.3 | F20 P30 C32 R37 H52 | F20-F39 HydrophobicContact CD1-CD2 4.36Å; F20-F39 AromaticContact CE1-CD2 3.67Å; F20-F39 HydrophobicContact CE1-CD2 3.67Å; F20-F39 AromaticContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CE2 3.54Å; F20-F39 HydrophobicContact CE1-CG 4.37Å; F20-F39 HydrophobicContact CE1-CZ 4.12Å; F20-F39 HydrophobicContact CZ-CE2 4.21Å; F20-F39 HydrophobicContact CZ-CZ 4.39Å; P30-F39 WeakPolarHBondContact CD-O 3.2Å; P30-F39 HydrophobicContact CG-CB 4.03Å; P30-F39 PolarHBondContact O-N 2.98Å; C32-F39 HydrophobicContact CB-CE2 4.43Å; R37-F39 HydrophobicContact CB-CE2 3.86Å; R37-F39 WeakPolarHBondContact O-CD2 3.39Å; F39-H52 HydrophobicContact CZ-CB 4.35Å; F39-H52 AromaticContact CZ-CE1 3.7Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.47Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.44Å | ||
| 40 | S | 85.7 | Confident | 86.4 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 41% | 0.413 | 30% | 0.304 | S | S | . | . | trans | -64.8 | 149.6 | 171 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | E42 S43 | S40-E42 PolarHBondContact O-N 3.27Å; S40-E42 VanDerWaalsContact O-N 3.14Å; S40-S43 WeakPolarHBondContact O-CA 3.17Å; S40-S43 WeakPolarHBondContact O-CB 3.17Å; S40-S43 PolarHBondContact O-N 2.99Å; S40-S43 PolarHBondContact OG-OG 3.38Å | ||
| 41 | K | 81.2 | Confident | 86.7 | Confident | 94 Ų | 94 | 69 Ų | 69 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -53.7 | -35.6 | 177.8 | -59.9 | -178.5 | 179.8 | 171.8 | 0 | 112.1 | E27 L29 S43 M44 | E27-K41 WeakPolarHBondContact O-CE 3.39Å; E27-K41 PolarHBondContact O-NZ 2.87Å; E27-K41 VanDerWaalsContact O-NZ 3.11Å; L29-K41 HydrophobicContact CD2-CD 4.32Å; L29-K41 HydrophobicContact CD2-CG 3.55Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.38Å; K41-M44 VanDerWaalsContact O-CB 3.23Å; K41-M44 WeakPolarHBondContact O-CB 3.37Å; K41-M44 PolarHBondContact O-N 3.04Å |
| 42 | E | 79.9 | Confident | 86.8 | Confident | 159 Ų | 159 | 69.5 Ų | 69.5 | 74% | 0.743 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -69.2 | -25.3 | 178.2 | -57.9 | -171.5 | 167.4 | 0 | 0 | 114 | S40 M44 | S40-E42 PolarHBondContact O-N 3.27Å; S40-E42 VanDerWaalsContact O-N 3.14Å; E42-M44 VanDerWaalsContact C-N 3.28Å |
| 43 | S | 76.2 | Confident | 86.8 | Confident | 23 Ų | 23 | 69.8 Ų | 69.8 | 16% | 0.161 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -83 | -7.5 | 178.5 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | S40 K41 K45 R48 | S40-S43 WeakPolarHBondContact O-CA 3.17Å; S40-S43 WeakPolarHBondContact O-CB 3.17Å; S40-S43 PolarHBondContact O-N 2.99Å; S40-S43 PolarHBondContact OG-OG 3.38Å; K41-S43 VanDerWaalsContact C-N 3.28Å; K41-S43 PolarHBondContact O-N 3.38Å; S43-K45 PolarHBondContact O-N 3.03Å; S43-R48 PolarHBondContact OG-NH1 3.41Å |
| 44 | M | 79.4 | Confident | 86.9 | Confident | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.034 | 36% | 0.357 | C | S | . | . | trans | -73.7 | 57.2 | 175.8 | -162.7 | 177.8 | 67.4 | 0 | 0 | 111.9 | R9 Y11 Y15 P30 K41 E42 | R9-M44 HydrophobicContact CB-CE 4.23Å; R9-M44 VanDerWaalsContact O-CE 3.25Å; R9-M44 WeakPolarHBondContact O-CE 3.38Å; Y11-M44 HydrophobicContact CD2-SD 3.72Å; Y11-M44 HydrophobicContact CG-SD 4.33Å; Y15-M44 HydrophobicContact CD2-CG 3.88Å; Y15-M44 HydrophobicContact CD2-SD 3.94Å; Y15-M44 HydrophobicContact CE2-CE 3.93Å; Y15-M44 HydrophobicContact CE2-CG 3.6Å; Y15-M44 HydrophobicContact CE2-SD 3.72Å; P30-M44 HydrophobicContact CB-SD 4.45Å; P30-M44 HydrophobicContact CG-CB 4.07Å; P30-M44 HydrophobicContact CG-CG 4Å; P30-M44 HydrophobicContact CG-SD 4.05Å; K41-M44 VanDerWaalsContact O-CB 3.23Å; K41-M44 WeakPolarHBondContact O-CB 3.37Å; K41-M44 PolarHBondContact O-N 3.04Å; E42-M44 VanDerWaalsContact C-N 3.28Å | ||
| 45 | K | 84.4 | Confident | 87.1 | Confident | 97 Ų | 97 | 82.1 Ų | 82.1 | 42% | 0.422 | 39% | 0.385 | S | S | . | . | trans | -111 | 129 | 172.2 | -63.1 | -176.9 | -176.6 | -179.2 | 0 | 107.6 | S43 P47 R48 L49 | S43-K45 PolarHBondContact O-N 3.03Å; K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 VanDerWaalsContact O-N 3.08Å; K45-R48 HydrophobicContact CB-CG 4.31Å; K45-R48 WeakPolarHBondContact O-CA 3.47Å; K45-R48 WeakPolarHBondContact O-CB 3.35Å; K45-R48 PolarHBondContact O-N 3.33Å; K45-L49 PolarHBondContact O-N 3.1Å; K45-L49 VanDerWaalsContact O-N 3.15Å | ||
| 46 | P | 85.4 | Confident | 87.2 | Confident | 49 Ų | 49 | 86.3 Ų | 86.3 | 32% | 0.318 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -48.4 | -40.2 | -177.2 | -3.9 | -3.9 | 0 | 0 | 0 | 114.7 | Y15 F18 R48 L49 K50 | Y15-P46 HydrophobicContact CE1-CB 4.37Å; Y15-P46 HydrophobicContact CE1-CG 3.97Å; F18-P46 HydrophobicContact CE2-CB 3.96Å; F18-P46 HydrophobicContact CZ-CB 4.25Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 3.39Å; P46-L49 PolarHBondContact O-N 3.28Å; P46-K50 WeakPolarHBondContact O-CB 3.16Å; P46-K50 PolarHBondContact O-N 3.46Å |
| 47 | P | 88.3 | Confident | 87.4 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 57% | 0.565 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.9 | -34.8 | 175.4 | -24.9 | 34.6 | 0 | 0 | 0 | 114.4 | K45 R51 | K45-P47 VanDerWaalsContact C-N 3.27Å; K45-P47 VanDerWaalsContact O-N 3.08Å; P47-R51 VanDerWaalsContact O-CB 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.31Å; P47-R51 PolarHBondContact O-N 3.3Å |
| 48 | R | 88.9 | Confident | 87.4 | Confident | 111 Ų | 111 | 79.5 Ų | 79.5 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -72.4 | -41.3 | 177.8 | -68.7 | -174.5 | 174.6 | -168.7 | -0.3 | 111 | S43 K45 P46 R51 H52 | S43-R48 PolarHBondContact OG-NH1 3.41Å; K45-R48 HydrophobicContact CB-CG 4.31Å; K45-R48 WeakPolarHBondContact O-CA 3.47Å; K45-R48 WeakPolarHBondContact O-CB 3.35Å; K45-R48 PolarHBondContact O-N 3.33Å; P46-R48 VanDerWaalsContact C-N 3.32Å; P46-R48 PolarHBondContact O-N 3.39Å; R48-R51 PolarHBondContact O-N 3.07Å; R48-H52 PolarHBondContact O-N 3.4Å |
| 49 | L | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 80.2 Ų | 80.2 | 1% | 0.005 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 176.4 | -58.7 | -177.4 | 0 | 0 | 0 | 111 | Y15 F18 F20 K45 P46 R51 H52 L53 | Y15-L49 HydrophobicContact CD1-CD1 3.71Å; Y15-L49 HydrophobicContact CE1-CD1 4.36Å; Y15-L49 HydrophobicContact CG-CD1 3.82Å; F18-L49 HydrophobicContact CB-CB 3.99Å; F18-L49 HydrophobicContact CD2-CB 4.33Å; F18-L49 HydrophobicContact CD2-CD1 4.43Å; F18-L49 HydrophobicContact CG-CB 4.23Å; F20-L49 HydrophobicContact CD1-CD2 3.85Å; F20-L49 HydrophobicContact CD2-CB 3.84Å; F20-L49 HydrophobicContact CD2-CD1 4.15Å; F20-L49 HydrophobicContact CD2-CD2 3.82Å; F20-L49 HydrophobicContact CD2-CG 4.13Å; F20-L49 HydrophobicContact CE1-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CB 3.56Å; F20-L49 HydrophobicContact CE2-CD2 3.7Å; F20-L49 HydrophobicContact CE2-CG 4.12Å; F20-L49 HydrophobicContact CG-CD1 4.36Å; F20-L49 HydrophobicContact CG-CD2 3.87Å; F20-L49 HydrophobicContact CZ-CB 4.21Å; F20-L49 HydrophobicContact CZ-CD2 3.6Å; F20-L49 HydrophobicContact CZ-CG 4.47Å; K45-L49 PolarHBondContact O-N 3.1Å; K45-L49 VanDerWaalsContact O-N 3.15Å; P46-L49 PolarHBondContact O-N 3.28Å; L49-R51 PolarHBondContact O-N 3.45Å; L49-H52 WeakPolarHBondContact O-CB 3.34Å; L49-H52 PolarHBondContact O-N 2.98Å; L49-L53 PolarHBondContact O-N 2.88Å |
| 50 | K | 89.1 | Confident | 87.2 | Confident | 119 Ų | 119 | 81 Ų | 81 | 52% | 0.517 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175.6 | -171.1 | 174.8 | -177.7 | 177.3 | 0 | 112.1 | F18 P46 H52 L53 I54 | F18-K50 HydrophobicContact CD1-CB 4.02Å; F18-K50 HydrophobicContact CD1-CG 4.42Å; F18-K50 HydrophobicContact CE1-CB 4.03Å; F18-K50 HydrophobicContact CE1-CD 4.35Å; F18-K50 HydrophobicContact CE1-CG 4.31Å; P46-K50 WeakPolarHBondContact O-CB 3.16Å; P46-K50 PolarHBondContact O-N 3.46Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-N 2.91Å; K50-L53 PolarHBondContact O-N 3.23Å; K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 WeakPolarHBondContact O-CG1 3.31Å; K50-I54 PolarHBondContact O-N 3.44Å |
| 51 | R | 92.2 | Very high | 87 | Confident | 162 Ų | 162 | 80.7 Ų | 80.7 | 61% | 0.611 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.1 | -41.4 | 175.7 | -173.8 | -173.5 | -61.6 | 146.4 | -1 | 111.9 | P47 R48 L49 R55 | P47-R51 VanDerWaalsContact O-CB 3.31Å; P47-R51 WeakPolarHBondContact O-CB 3.31Å; P47-R51 PolarHBondContact O-N 3.3Å; R48-R51 PolarHBondContact O-N 3.07Å; L49-R51 PolarHBondContact O-N 3.45Å; R51-R55 WeakPolarHBondContact O-CB 3.34Å; R51-R55 PolarHBondContact O-N 2.86Å |
| 52 | H | 92.3 | Very high | 87 | Confident | 23 Ų | 23 | 83.4 Ų | 83.4 | 11% | 0.106 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.9 | -49.1 | 175.1 | 174.4 | 81.9 | 0 | 0 | 0 | 111 | F20 C35 F39 R48 L49 K50 I54 R55 R56 | F20-H52 HydrophobicContact CZ-CB 4.05Å; F20-H52 AromaticContact CZ-CD2 3.36Å; F20-H52 WeakPolarHBondContact CZ-CD2 3.09Å; F20-H52 AromaticContact CZ-CG 3.88Å; C35-H52 PolarHBondContact SG-NE2 3.22Å; F39-H52 HydrophobicContact CZ-CB 4.35Å; F39-H52 AromaticContact CZ-CE1 3.7Å; F39-H52 AromaticContact CZ-CG 3.77Å; F39-H52 AromaticContact CZ-ND1 3.47Å; F39-H52 WeakPolarHBondContact CZ-ND1 3.44Å; R48-H52 PolarHBondContact O-N 3.4Å; L49-H52 WeakPolarHBondContact O-CB 3.34Å; L49-H52 PolarHBondContact O-N 2.98Å; K50-H52 VanDerWaalsContact C-N 3.34Å; K50-H52 PolarHBondContact O-N 2.91Å; H52-I54 PolarHBondContact O-N 2.86Å; H52-R55 PolarHBondContact O-N 3.49Å; H52-R56 VanDerWaalsContact O-CB 3.32Å; H52-R56 WeakPolarHBondContact O-CB 3.43Å; H52-R56 PolarHBondContact O-N 2.84Å |
| 53 | L | 91.2 | Very high | 87.4 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 4% | 0.037 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.5 | -49.4 | 179.7 | -175.2 | 66.5 | 0 | 0 | 0 | 111.6 | L34 L49 K50 R55 H57 Y68 | L34-L53 HydrophobicContact CD1-CD1 3.8Å; L49-L53 PolarHBondContact O-N 2.88Å; K50-L53 PolarHBondContact O-N 3.23Å; L53-R55 PolarHBondContact O-N 3.22Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.57Å; L53-H57 VanDerWaalsContact O-CA 3.22Å; L53-H57 WeakPolarHBondContact O-CA 3.37Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 3.46Å; L53-H57 VanDerWaalsContact O-O 3.07Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.38Å |
| 54 | I | 91 | Very high | 88 | Confident | 93 Ų | 93 | 84 Ų | 84 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 180 | -65 | 166.3 | 0 | 0 | 0 | 111.7 | K50 H52 | K50-I54 HydrophobicContact CG-CD1 3.91Å; K50-I54 WeakPolarHBondContact O-CG1 3.31Å; K50-I54 PolarHBondContact O-N 3.44Å; H52-I54 PolarHBondContact O-N 2.86Å |
| 55 | R | 93.3 | Very high | 88.4 | Confident | 212 Ų | 212 | 85.9 Ų | 85.9 | 80% | 0.8 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -77.1 | -35.9 | -174.5 | -172.7 | 177.5 | -178.8 | -173.3 | 2 | 113.3 | R51 H52 L53 | R51-R55 WeakPolarHBondContact O-CB 3.34Å; R51-R55 PolarHBondContact O-N 2.86Å; H52-R55 PolarHBondContact O-N 3.49Å; L53-R55 PolarHBondContact O-N 3.22Å |
| 56 | R | 92.3 | Very high | 88.7 | Confident | 132 Ų | 132 | 84.8 Ų | 84.8 | 50% | 0.498 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -97.3 | -30.4 | -176.9 | -71.3 | -58.7 | -145.1 | -173.3 | 2.6 | 113.2 | H52 | H52-R56 VanDerWaalsContact O-CB 3.32Å; H52-R56 WeakPolarHBondContact O-CB 3.43Å; H52-R56 PolarHBondContact O-N 2.84Å |
| 57 | H | 91.9 | Very high | 89 | Confident | 31 Ų | 31 | 86.1 Ų | 86.1 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | trans | -136.7 | 60.1 | -173 | -54.3 | -64.7 | 0 | 0 | 0 | 110.9 | L34 C35 L53 S59 M60 S61 | L34-H57 HydrophobicContact CD1-CB 3.64Å; C35-H57 WeakPolarHBondContact CB-NE2 3.36Å; L53-H57 HydrophobicContact CD1-CB 4.13Å; L53-H57 CarbonylContact O-C 3.57Å; L53-H57 VanDerWaalsContact O-CA 3.22Å; L53-H57 WeakPolarHBondContact O-CA 3.37Å; L53-H57 WeakPolarHBondContact O-CB 3.35Å; L53-H57 PolarHBondContact O-N 3.46Å; L53-H57 VanDerWaalsContact O-O 3.07Å; H57-S59 PolarHBondContact O-N 3.44Å; H57-M60 HydrophobicContact CB-CB 4.17Å; H57-M60 HydrophobicContact CB-CG 4.46Å; H57-M60 PolarHBondContact O-N 3.45Å; H57-M60 VanDerWaalsContact O-N 3.07Å; H57-S61 PolarHBondContact O-N 3.3Å | ||
| 58 | P | 88.7 | Confident | 89.1 | Confident | 85 Ų | 85 | 82 Ų | 82 | 55% | 0.552 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -56.6 | -39.5 | -178.9 | 23.4 | -33.2 | 0 | 0 | 0 | 111.7 | M60 S61 | P58-M60 VanDerWaalsContact C-N 3.28Å; P58-M60 PolarHBondContact O-N 3.07Å; P58-S61 PolarHBondContact O-N 3.49Å; P58-S61 PolarHBondContact O-OG 3.2Å |
| 59 | S | 86.4 | Confident | 89.1 | Confident | 95 Ų | 95 | 81.8 Ų | 81.8 | 66% | 0.664 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -63.7 | -26.5 | 178.9 | 56.9 | 0 | 0 | 0 | 0 | 114.6 | H57 | H57-S59 PolarHBondContact O-N 3.44Š|
| 60 | M | 84.2 | Confident | 89.1 | Confident | 54 Ų | 54 | 84.5 Ų | 84.5 | 27% | 0.266 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -101.7 | -3.8 | -175.9 | -55.5 | -61.9 | 175.2 | 0 | 0 | 112.7 | L34 H57 P58 N62 K63 Y68 | L34-M60 HydrophobicContact CD1-CB 3.68Å; L34-M60 HydrophobicContact CD1-CG 4.05Å; L34-M60 HydrophobicContact CD2-CG 4.29Å; H57-M60 HydrophobicContact CB-CB 4.17Å; H57-M60 HydrophobicContact CB-CG 4.46Å; H57-M60 PolarHBondContact O-N 3.45Å; H57-M60 VanDerWaalsContact O-N 3.07Å; P58-M60 VanDerWaalsContact C-N 3.28Å; P58-M60 PolarHBondContact O-N 3.07Å; M60-N62 PolarHBondContact O-N 3.08Å; M60-K63 HydrophobicContact CB-CD 4.4Å; M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CD 3.71Å; M60-K63 WeakPolarHBondContact SD-CE 3.45Å; M60-K63 PolarHBondContact SD-NZ 2.94Å; M60-Y68 PolarHBondContact O-OH 3.03Å |
| 61 | S | 81.4 | Confident | 89.1 | Confident | 54 Ų | 54 | 80.4 Ų | 80.4 | 38% | 0.378 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.5 | -174.5 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | H57 P58 | H57-S61 PolarHBondContact O-N 3.3Å; P58-S61 PolarHBondContact O-N 3.49Å; P58-S61 PolarHBondContact O-OG 3.2Å |
| 62 | N | 82.5 | Confident | 88.9 | Confident | 151 Ų | 151 | 75.3 Ų | 75.3 | 81% | 0.807 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 11.5 | -179.8 | -161.6 | 23.7 | 0 | 0 | 0 | 114 | M60 | M60-N62 PolarHBondContact O-N 3.08Š|
| 63 | K | 87.4 | Confident | 88.6 | Confident | 71 Ų | 71 | 81 Ų | 81 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | trans | -82.6 | 145.2 | -179.2 | -66.7 | -169.7 | 168.8 | -172.4 | 0 | 111.8 | M60 Y67 Y68 | M60-K63 HydrophobicContact CB-CD 4.4Å; M60-K63 PolarHBondContact O-N 2.98Å; M60-K63 HydrophobicContact SD-CD 3.71Å; M60-K63 WeakPolarHBondContact SD-CE 3.45Å; M60-K63 PolarHBondContact SD-NZ 2.94Å; K63-Y67 HydrophobicContact CB-CD1 3.96Å; K63-Y67 HydrophobicContact CB-CG 4.14Å; K63-Y67 HydrophobicContact CD-CD1 3.4Å; K63-Y67 VanDerWaalsContact CD-CD1 3.4Å; K63-Y67 HydrophobicContact CD-CD2 3.82Å; K63-Y67 HydrophobicContact CD-CE1 3.42Å; K63-Y67 VanDerWaalsContact CD-CE1 3.42Å; K63-Y67 HydrophobicContact CD-CE2 3.83Å; K63-Y67 HydrophobicContact CD-CG 3.61Å; K63-Y67 HydrophobicContact CG-CD1 4.31Å; K63-Y67 HydrophobicContact CG-CG 4.43Å; K63-Y67 PolarHBondContact NZ-OH 2.81Å; K63-Y67 VanDerWaalsContact NZ-OH 3.13Å; K63-Y68 HydrophobicContact CB-CE2 4.12Å | ||
| 64 | N | 88.2 | Confident | 88.3 | Confident | 123 Ų | 123 | 88.8 Ų | 88.8 | 66% | 0.658 | 45% | 0.45 | S | S | * | . | trans | -72.2 | 163.1 | 178 | -68.5 | -48.2 | 0 | 0 | 0 | 112.2 | S66 Y67 | N64-S66 PolarHBondContact O-N 3.39Å; N64-Y67 WeakPolarHBondContact O-CB 3.45Å; N64-Y67 PolarHBondContact O-N 3.09Å; N64-Y67 VanDerWaalsContact O-N 3.14Å | ||
| 65 | V | 88.9 | Confident | 87.7 | Confident | 46 Ų | 46 | 87.2 Ų | 87.2 | 28% | 0.279 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -56.4 | -36 | 177.9 | -166.4 | 0 | 0 | 0 | 0 | 112 | L16 R17 Y67 Y68 Q69 | L16-V65 HydrophobicContact CD2-CG1 4.47Å; R17-V65 HydrophobicContact CB-CG2 4.31Å; R17-V65 HydrophobicContact CG-CB 4.47Å; R17-V65 HydrophobicContact CG-CG1 4.16Å; R17-V65 HydrophobicContact CG-CG2 3.56Å; V65-Y67 VanDerWaalsContact C-N 3.32Å; V65-Y67 PolarHBondContact O-N 3.37Å; V65-Y68 PolarHBondContact O-N 3.18Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; V65-Q69 WeakPolarHBondContact O-CG 3.48Å; V65-Q69 PolarHBondContact O-N 3.45Å |
| 66 | S | 90.4 | Very high | 86.6 | Confident | 74 Ų | 74 | 80.3 Ų | 80.3 | 52% | 0.517 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59 | -38.7 | 178.5 | 53.6 | 0 | 0 | 0 | 0 | 113.1 | N64 Y68 Q69 A70 | N64-S66 PolarHBondContact O-N 3.39Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.1Å; S66-Q69 PolarHBondContact O-N 3.41Å; S66-A70 PolarHBondContact O-N 3.48Å |
| 67 | Y | 90.7 | Very high | 85.2 | Confident | 78 Ų | 78 | 80 Ų | 80 | 31% | 0.306 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.2 | -43.8 | 175.8 | 172.5 | -95 | 0 | 0 | 0 | 111.5 | L34 K63 N64 V65 A70 L71 | L34-Y67 HydrophobicContact CD2-CE1 4.36Å; K63-Y67 HydrophobicContact CB-CD1 3.96Å; K63-Y67 HydrophobicContact CB-CG 4.14Å; K63-Y67 HydrophobicContact CD-CD1 3.4Å; K63-Y67 VanDerWaalsContact CD-CD1 3.4Å; K63-Y67 HydrophobicContact CD-CD2 3.82Å; K63-Y67 HydrophobicContact CD-CE1 3.42Å; K63-Y67 VanDerWaalsContact CD-CE1 3.42Å; K63-Y67 HydrophobicContact CD-CE2 3.83Å; K63-Y67 HydrophobicContact CD-CG 3.61Å; K63-Y67 HydrophobicContact CG-CD1 4.31Å; K63-Y67 HydrophobicContact CG-CG 4.43Å; K63-Y67 PolarHBondContact NZ-OH 2.81Å; K63-Y67 VanDerWaalsContact NZ-OH 3.13Å; N64-Y67 WeakPolarHBondContact O-CB 3.45Å; N64-Y67 PolarHBondContact O-N 3.09Å; N64-Y67 VanDerWaalsContact O-N 3.14Å; V65-Y67 VanDerWaalsContact C-N 3.32Å; V65-Y67 PolarHBondContact O-N 3.37Å; Y67-A70 PolarHBondContact O-N 3.13Å; Y67-L71 HydrophobicContact CE1-CD2 4.18Å; Y67-L71 WeakPolarHBondContact O-CB 3.32Å; Y67-L71 PolarHBondContact O-N 3.48Å |
| 68 | Y | 90.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -72.8 | -29.1 | 179.5 | -66.2 | -66.7 | 0 | 0 | 0 | 112.6 | L16 L34 L53 M60 K63 V65 S66 K72 | L16-Y68 WeakPolarHBondContact O-CB 3.44Å; L34-Y68 HydrophobicContact CD1-CE1 4.18Å; L34-Y68 HydrophobicContact CD2-CE1 4.3Å; L34-Y68 HydrophobicContact CG-CE1 4.29Å; L53-Y68 WeakPolarHBondContact CD1-OH 3.38Å; M60-Y68 PolarHBondContact O-OH 3.03Å; K63-Y68 HydrophobicContact CB-CE2 4.12Å; V65-Y68 PolarHBondContact O-N 3.18Å; V65-Y68 VanDerWaalsContact O-N 3.14Å; S66-Y68 VanDerWaalsContact C-N 3.33Å; S66-Y68 PolarHBondContact O-N 3.1Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.32Å |
| 69 | Q | 89.5 | Confident | 81.7 | Confident | 107 Ų | 107 | 84.9 Ų | 84.9 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.4 | -51.2 | 170.8 | -74.5 | 172.1 | -25 | 0 | 0 | 111.2 | L16 V65 S66 L71 K72 E73 | L16-Q69 HydrophobicContact CD2-CB 4.4Å; L16-Q69 HydrophobicContact CD2-CG 3.38Å; L16-Q69 HydrophobicContact CG-CG 4.49Å; V65-Q69 WeakPolarHBondContact O-CG 3.48Å; V65-Q69 PolarHBondContact O-N 3.45Å; S66-Q69 PolarHBondContact O-N 3.41Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.43Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.03Å; Q69-K72 VanDerWaalsContact O-N 3.1Å; Q69-E73 PolarHBondContact O-N 2.98Å |
| 70 | A | 89.6 | Confident | 79.9 | Confident | 57 Ų | 57 | 83.5 Ų | 83.5 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S66 Y67 K72 E73 K74 | S66-A70 PolarHBondContact O-N 3.48Å; Y67-A70 PolarHBondContact O-N 3.13Å; A70-K72 VanDerWaalsContact C-N 3.35Å; A70-E73 PolarHBondContact O-N 2.86Å; A70-K74 WeakPolarHBondContact O-CB 3.2Å; A70-K74 PolarHBondContact O-N 3.29Å |
| 71 | L | 88.1 | Confident | 78.4 | Confident | 33 Ų | 33 | 85.4 Ų | 85.4 | 17% | 0.173 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | 175.9 | -169.7 | 65.3 | 0 | 0 | 0 | 112.3 | L33 L34 Y67 Q69 K75 | L33-L71 HydrophobicContact CB-CD2 3.71Å; L33-L71 HydrophobicContact CB-CG 4.25Å; L34-L71 HydrophobicContact CD2-CD2 3.79Å; Y67-L71 HydrophobicContact CE1-CD2 4.18Å; Y67-L71 WeakPolarHBondContact O-CB 3.32Å; Y67-L71 PolarHBondContact O-N 3.48Å; Q69-L71 VanDerWaalsContact C-N 3.28Å; Q69-L71 PolarHBondContact O-N 3.43Å; L71-K75 WeakPolarHBondContact O-CG 3.24Å; L71-K75 PolarHBondContact O-N 3.45Å |
| 72 | K | 87.7 | Confident | 77.4 | Confident | 56 Ų | 56 | 87.4 Ų | 87.4 | 24% | 0.243 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.4 | -49.8 | 174.2 | -174.1 | -175.5 | -179.7 | -90.5 | 0 | 110 | L16 A21 L33 Y68 Q69 A70 K74 K75 E76 | L16-K72 HydrophobicContact CD1-CB 4.49Å; L16-K72 HydrophobicContact CD1-CD 4.32Å; A21-K72 HydrophobicContact CB-CD 4.01Å; A21-K72 HydrophobicContact CB-CG 4.08Å; L33-K72 HydrophobicContact CD1-CB 4.13Å; Y68-K72 VanDerWaalsContact O-CB 3.32Å; Y68-K72 WeakPolarHBondContact O-CB 3.42Å; Y68-K72 PolarHBondContact O-N 3.32Å; Q69-K72 WeakPolarHBondContact O-CB 3.5Å; Q69-K72 PolarHBondContact O-N 3.03Å; Q69-K72 VanDerWaalsContact O-N 3.1Å; A70-K72 VanDerWaalsContact C-N 3.35Å; K72-K74 PolarHBondContact O-N 3.06Å; K72-K75 CarbonylContact O-C 3.03Å; K72-K75 WeakPolarHBondContact O-CA 3.42Å; K72-K75 PolarHBondContact O-N 3.48Å; K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 IonicContact NZ-OE2 2.67Å; K72-E76 PolarHBondContact NZ-OE2 3.34Å; K72-E76 WeakPolarHBondContact O-CB 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.25Å |
| 73 | E | 86 | Confident | 76.4 | Confident | 143 Ų | 143 | 81.9 Ų | 81.9 | 67% | 0.668 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -59.9 | -43.6 | 179 | -174.3 | 173.8 | -170.4 | 0 | 0 | 112 | Q69 A70 K75 E76 | Q69-E73 PolarHBondContact O-N 2.98Å; A70-E73 PolarHBondContact O-N 2.86Å; E73-K75 PolarHBondContact O-N 3.5Å; E73-E76 CarbonylContact O-C 3.59Å; E73-E76 PolarHBondContact O-N 3.38Å; E73-E76 VanDerWaalsContact O-N 3.17Å |
| 74 | K | 84.6 | Confident | 75.2 | Confident | 169 Ų | 169 | 81.7 Ų | 81.7 | 74% | 0.735 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -60.4 | -27.7 | 174.3 | -173.2 | 172.8 | -179.5 | 175 | 0 | 113.3 | A70 K72 I77 | A70-K74 WeakPolarHBondContact O-CB 3.2Å; A70-K74 PolarHBondContact O-N 3.29Å; K72-K74 PolarHBondContact O-N 3.06Å; K74-I77 WeakPolarHBondContact O-CG1 3.23Å |
| 75 | K | 79.6 | Confident | 73.8 | Confident | 60 Ų | 60 | 81 Ų | 81 | 26% | 0.261 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -89.8 | -29.4 | 176.7 | -70.6 | -163.3 | -176 | -150.6 | 0 | 112.9 | M23 L33 E36 L71 K72 E73 I77 | M23-K75 HydrophobicContact CE-CB 3.83Å; M23-K75 HydrophobicContact SD-CB 4.38Å; L33-K75 HydrophobicContact CD2-CD 4.14Å; L33-K75 WeakPolarHBondContact O-CE 3.24Å; L33-K75 PolarHBondContact O-NZ 2.9Å; E36-K75 VanDerWaalsContact CG-NZ 3.29Å; E36-K75 IonicContact OE1-NZ 2.71Å; E36-K75 PolarHBondContact OE1-NZ 3.14Å; L71-K75 WeakPolarHBondContact O-CG 3.24Å; L71-K75 PolarHBondContact O-N 3.45Å; K72-K75 CarbonylContact O-C 3.03Å; K72-K75 WeakPolarHBondContact O-CA 3.42Å; K72-K75 PolarHBondContact O-N 3.48Å; E73-K75 PolarHBondContact O-N 3.5Å; K75-I77 PolarHBondContact O-N 2.91Å; K75-I77 VanDerWaalsContact O-N 3.11Å |
| 76 | E | 70.9 | Confident | 72.5 | Confident | 67 Ų | 67 | 86 Ų | 86 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -81.8 | 53.5 | 168.1 | -65.9 | -177.2 | 157 | 0 | 0 | 109.2 | M23 K72 E73 P78 | M23-E76 HydrophobicContact CE-CG 4.28Å; K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.28Å; K72-E76 IonicContact NZ-OE1 2.7Å; K72-E76 PolarHBondContact NZ-OE1 3.09Å; K72-E76 IonicContact NZ-OE2 2.67Å; K72-E76 PolarHBondContact NZ-OE2 3.34Å; K72-E76 WeakPolarHBondContact O-CB 3.29Å; K72-E76 WeakPolarHBondContact O-CG 3.35Å; K72-E76 PolarHBondContact O-N 3.25Å; E73-E76 CarbonylContact O-C 3.59Å; E73-E76 PolarHBondContact O-N 3.38Å; E73-E76 VanDerWaalsContact O-N 3.17Å; E76-P78 VanDerWaalsContact O-N 3.11Å |
| 77 | I | 62.7 | Low | 71.1 | Confident | 127 Ų | 127 | 85.8 Ų | 85.8 | 65% | 0.651 | 45% | 0.448 | S | S | * | . | trans | -51.9 | 124.3 | 162.4 | -59.1 | 175.2 | 0 | 0 | 0 | 105.2 | K74 K75 E79 | K74-I77 WeakPolarHBondContact O-CG1 3.23Å; K75-I77 PolarHBondContact O-N 2.91Å; K75-I77 VanDerWaalsContact O-N 3.11Å; I77-E79 PolarHBondContact O-N 3.44Å | ||
| 78 | P | 56.1 | Low | 69.8 | Low | 114 Ų | 114 | 85.2 Ų | 85.2 | 74% | 0.74 | 45% | 0.452 | S | S | * | . | trans | -49.1 | 121.2 | -171.1 | 14.4 | -28.4 | 0 | 0 | 0 | 108.8 | E76 A80 | E76-P78 VanDerWaalsContact O-N 3.11Å; P78-A80 PolarHBondContact O-N 3.04Å | ||
| 79 | E | 50.6 | Low | 68.5 | Low | 104 Ų | 104 | 90.6 Ų | 90.6 | 49% | 0.486 | 48% | 0.475 | S | S | . | . | trans | -63.6 | 80.9 | -176.1 | -67.1 | -118.1 | 136.3 | 0 | 0 | 109.2 | P24 I77 D81 R85 | P24-E79 HydrophobicContact CG-CG 4.09Å; I77-E79 PolarHBondContact O-N 3.44Å; E79-D81 PolarHBondContact O-N 3.34Å; E79-R85 IonicContact OE1-NH1 3.41Å; E79-R85 PolarHBondContact OE1-NH1 3.27Å | ||
| 80 | A | 48.7 | Very low | 67.3 | Low | 65 Ų | 65 | 89.1 Ų | 89.1 | 54% | 0.537 | 47% | 0.467 | S | S | . | . | trans | -65.1 | 108.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | P78 V84 | P78-A80 PolarHBondContact O-N 3.04Å; A80-V84 HydrophobicContact CB-CG1 4.39Å | ||
| 81 | D | 53.3 | Low | 65.9 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 26.9 | 123.3 | 169.9 | -178.7 | 65.4 | 0 | 0 | 0 | 116.7 | E79 G83 V84 R85 | E79-D81 PolarHBondContact O-N 3.34Å; D81-G83 CarbonylContact O-C 3.54Å; D81-G83 PolarHBondContact O-N 3.44Å; D81-G83 WeakPolarHBondContact OD2-CA 3.42Å; D81-G83 PolarHBondContact OD2-N 2.65Å; D81-V84 HydrophobicContact CB-CB 4.28Å; D81-V84 HydrophobicContact CB-CG2 3.89Å; D81-V84 WeakPolarHBondContact O-CA 3.47Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 PolarHBondContact O-N 3.49Å; D81-V84 PolarHBondContact OD2-N 2.92Å; D81-R85 PolarHBondContact O-N 3.44Å; D81-R85 VanDerWaalsContact O-N 3.11Å |
| 82 | P | 60 | Low | 64.6 | Low | 97 Ų | 97 | 95.2 Ų | 95.2 | 63% | 0.63 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -52.3 | -25.5 | 177.5 | 18.8 | -30.6 | 0 | 0 | 0 | 113.8 | Y86 | P82-Y86 PolarHBondContact O-N 2.82Å |
| 83 | G | 60.1 | Low | 63.3 | Low | 35 Ų | 35 | 99.1 Ų | 99.1 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D81 R85 Y86 V87 | D81-G83 CarbonylContact O-C 3.54Å; D81-G83 PolarHBondContact O-N 3.44Å; D81-G83 WeakPolarHBondContact OD2-CA 3.42Å; D81-G83 PolarHBondContact OD2-N 2.65Å; G83-R85 PolarHBondContact O-N 2.76Å; G83-Y86 PolarHBondContact O-N 3.42Å; G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 3.39Å |
| 84 | V | 62.1 | Low | 61.9 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 40% | 0.4 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 176.6 | 177.9 | 0 | 0 | 0 | 0 | 111.4 | A80 D81 Y86 V87 V88 | A80-V84 HydrophobicContact CB-CG1 4.39Å; D81-V84 HydrophobicContact CB-CB 4.28Å; D81-V84 HydrophobicContact CB-CG2 3.89Å; D81-V84 WeakPolarHBondContact O-CA 3.47Å; D81-V84 WeakPolarHBondContact O-CB 3.43Å; D81-V84 PolarHBondContact O-N 3.49Å; D81-V84 PolarHBondContact OD2-N 2.92Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.32Å; V84-V87 PolarHBondContact O-N 2.8Å; V84-V88 HydrophobicContact CG1-CG2 3.85Å; V84-V88 VanDerWaalsContact O-CB 3.29Å; V84-V88 WeakPolarHBondContact O-CB 3.48Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 3.42Å |
| 85 | R | 60.2 | Low | 60.6 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 41% | 0.411 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 176.3 | -174.5 | 179.1 | 177.9 | -171.7 | -4.4 | 112.7 | E79 D81 G83 K89 | E79-R85 IonicContact OE1-NH1 3.41Å; E79-R85 PolarHBondContact OE1-NH1 3.27Å; D81-R85 PolarHBondContact O-N 3.44Å; D81-R85 VanDerWaalsContact O-N 3.11Å; G83-R85 PolarHBondContact O-N 2.76Å; R85-K89 HydrophobicContact CG-CD 4.43Å; R85-K89 WeakPolarHBondContact O-CB 3.15Å; R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 2.91Å |
| 86 | Y | 60.8 | Low | 60 | Low | 152 Ų | 152 | 91.2 Ų | 91.2 | 60% | 0.596 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 175.3 | 176.8 | -97.1 | 0 | 0 | 0 | 110.9 | P82 G83 V84 K90 | P82-Y86 PolarHBondContact O-N 2.82Å; G83-Y86 PolarHBondContact O-N 3.42Å; V84-Y86 VanDerWaalsContact C-N 3.32Å; V84-Y86 PolarHBondContact O-N 3.32Å; Y86-K90 HydrophobicContact CE1-CD 3.86Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 2.75Å; Y86-K90 PolarHBondContact OH-NZ 3.26Å |
| 87 | V | 61.2 | Low | 59.9 | Low | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.418 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -48 | 177.5 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | G83 V84 K90 L91 | G83-V87 VanDerWaalsContact O-CG2 3.28Å; G83-V87 WeakPolarHBondContact O-CG2 3.28Å; G83-V87 PolarHBondContact O-N 3.39Å; V84-V87 PolarHBondContact O-N 2.8Å; V87-K90 CarbonylContact O-C 3.2Å; V87-K90 PolarHBondContact O-N 3.31Å; V87-L91 HydrophobicContact CG1-CD1 3.47Å; V87-L91 VanDerWaalsContact CG1-CD1 3.47Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.34Å; V87-L91 WeakPolarHBondContact O-CG 3.12Å; V87-L91 PolarHBondContact O-N 3.1Å |
| 88 | V | 64.2 | Low | 60.5 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 40% | 0.4 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -44.5 | -179.3 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | V84 K90 L91 L92 | V84-V88 HydrophobicContact CG1-CG2 3.85Å; V84-V88 VanDerWaalsContact O-CB 3.29Å; V84-V88 WeakPolarHBondContact O-CB 3.48Å; V84-V88 VanDerWaalsContact O-CG2 3.24Å; V84-V88 WeakPolarHBondContact O-CG2 3.16Å; V84-V88 PolarHBondContact O-N 3.42Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 3.18Å; V88-L91 PolarHBondContact O-N 3.25Å; V88-L92 HydrophobicContact CG1-CD1 3.3Å; V88-L92 HydrophobicContact CG1-CG 4.24Å; V88-L92 VanDerWaalsContact O-CB 3.24Å; V88-L92 WeakPolarHBondContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 3.46Å |
| 89 | K | 62.9 | Low | 61.3 | Low | 112 Ų | 112 | 85.8 Ų | 85.8 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.9 | -41.1 | 172.4 | -80.2 | -179.1 | 175.2 | 178.7 | 0 | 111.9 | R85 L91 I93 | R85-K89 HydrophobicContact CG-CD 4.43Å; R85-K89 WeakPolarHBondContact O-CB 3.15Å; R85-K89 WeakPolarHBondContact O-CG 3.5Å; R85-K89 PolarHBondContact O-N 2.91Å; K89-L91 VanDerWaalsContact C-N 3.32Å; K89-I93 VanDerWaalsContact O-CD1 3.29Å; K89-I93 WeakPolarHBondContact O-CD1 3.46Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 2.76Å; K89-I93 VanDerWaalsContact O-N 3.16Å |
| 90 | K | 63.7 | Low | 62.3 | Low | 76 Ų | 76 | 83.2 Ų | 83.2 | 33% | 0.33 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.1 | -32.6 | 178.8 | -167.2 | 172.6 | -175.2 | 174.7 | 0 | 112.2 | Y86 V87 V88 C94 R128 | Y86-K90 HydrophobicContact CE1-CD 3.86Å; Y86-K90 WeakPolarHBondContact O-CB 3.43Å; Y86-K90 PolarHBondContact O-N 2.75Å; Y86-K90 PolarHBondContact OH-NZ 3.26Å; V87-K90 CarbonylContact O-C 3.2Å; V87-K90 PolarHBondContact O-N 3.31Å; V88-K90 VanDerWaalsContact C-N 3.31Å; V88-K90 PolarHBondContact O-N 3.18Å; K90-C94 PolarHBondContact O-SG 3.37Å; K90-R128 VanDerWaalsContact CE-NH1 3.32Å |
| 91 | L | 61.2 | Low | 63.4 | Low | 93 Ų | 93 | 82.8 Ų | 82.8 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -83 | -38.5 | 177.8 | -71 | 168.9 | 0 | 0 | 0 | 112.8 | V87 V88 K89 I93 C94 | V87-L91 HydrophobicContact CG1-CD1 3.47Å; V87-L91 VanDerWaalsContact CG1-CD1 3.47Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CB 3.34Å; V87-L91 WeakPolarHBondContact O-CG 3.12Å; V87-L91 PolarHBondContact O-N 3.1Å; V88-L91 PolarHBondContact O-N 3.25Å; K89-L91 VanDerWaalsContact C-N 3.32Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.29Å; L91-C94 WeakPolarHBondContact O-CB 3.37Å; L91-C94 PolarHBondContact O-N 2.86Å |
| 92 | L | 60.3 | Low | 64.5 | Low | 126 Ų | 126 | 84.7 Ų | 84.7 | 66% | 0.66 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -68.8 | -29.7 | 177.1 | -84.6 | 157.3 | 0 | 0 | 0 | 112.7 | V88 C94 | V88-L92 HydrophobicContact CG1-CD1 3.3Å; V88-L92 HydrophobicContact CG1-CG 4.24Å; V88-L92 VanDerWaalsContact O-CB 3.24Å; V88-L92 WeakPolarHBondContact O-CB 3.29Å; V88-L92 WeakPolarHBondContact O-CG 3.37Å; V88-L92 PolarHBondContact O-N 3.46Å; L92-C94 PolarHBondContact O-N 3.26Å |
| 93 | I | 60.2 | Low | 65.2 | Low | 137 Ų | 137 | 83.3 Ų | 83.3 | 70% | 0.703 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -23.2 | 170.8 | -68.6 | 165.2 | 0 | 0 | 0 | 111.1 | K89 L91 | K89-I93 VanDerWaalsContact O-CD1 3.29Å; K89-I93 WeakPolarHBondContact O-CD1 3.46Å; K89-I93 WeakPolarHBondContact O-CG1 3.48Å; K89-I93 PolarHBondContact O-N 2.76Å; K89-I93 VanDerWaalsContact O-N 3.16Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.29Å |
| 94 | C | 56.9 | Low | 65.9 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 20% | 0.196 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -10.5 | -175.4 | -72.3 | 0 | 0 | 0 | 0 | 114.8 | K90 L91 L92 P96 L100 | K90-C94 PolarHBondContact O-SG 3.37Å; L91-C94 WeakPolarHBondContact O-CB 3.37Å; L91-C94 PolarHBondContact O-N 2.86Å; L92-C94 PolarHBondContact O-N 3.26Å; C94-P96 VanDerWaalsContact C-CD 3.45Å; C94-L100 WeakPolarHBondContact O-CD1 3.49Å |
| 95 | L | 57.3 | Low | 66.5 | Low | 63 Ų | 63 | 85.7 Ų | 85.7 | 33% | 0.33 | 45% | 0.453 | S | S | . | . | trans | -131.8 | 57 | -173.4 | -55.8 | 175.7 | 0 | 0 | 0 | 113.4 | S97 L100 V101 A104 | L95-S97 PolarHBondContact O-N 2.77Å; L95-L100 VanDerWaalsContact CD2-C 3.46Å; L95-L100 HydrophobicContact CD2-CB 3.51Å; L95-L100 WeakPolarHBondContact CD2-O 3.13Å; L95-V101 HydrophobicContact CB-CG2 4.17Å; L95-V101 HydrophobicContact CD1-CG2 4.23Å; L95-A104 HydrophobicContact CD2-CB 4.32Å | ||
| 96 | P | 66.4 | Low | 67.4 | Low | 114 Ų | 114 | 83.6 Ų | 83.6 | 74% | 0.74 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -65.7 | -20.8 | 175.1 | 23.8 | -33.4 | 0 | 0 | 0 | 114.1 | C94 L100 | C94-P96 VanDerWaalsContact C-CD 3.45Å; P96-L100 HydrophobicContact CG-CD1 4.11Å |
| 97 | S | 69.5 | Low | 68 | Low | 46 Ų | 46 | 77.8 Ų | 77.8 | 32% | 0.322 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -125.4 | 149.5 | -176.2 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | L95 S99 L100 V101 | L95-S97 PolarHBondContact O-N 2.77Å; S97-S99 PolarHBondContact O-N 3.02Å; S97-S99 PolarHBondContact OG-OG 2.82Å; S97-L100 PolarHBondContact O-N 3.2Å; S97-V101 PolarHBondContact O-N 3.06Å |
| 98 | S | 75.2 | Confident | 68.5 | Low | 90 Ų | 90 | 76.7 Ų | 76.7 | 63% | 0.629 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -52.8 | -34.6 | 173.5 | 50.5 | 0 | 0 | 0 | 0 | 112.6 | L100 V101 E102 | S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact O-N 3.4Å; S98-V101 WeakPolarHBondContact O-CB 3.39Å; S98-V101 PolarHBondContact O-N 2.91Å; S98-V101 VanDerWaalsContact O-N 3.1Å; S98-E102 PolarHBondContact O-N 3.49Å |
| 99 | S | 72.6 | Confident | 68.9 | Low | 59 Ų | 59 | 77 Ų | 77 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.8 | -36.2 | 176.8 | 58.9 | 0 | 0 | 0 | 0 | 113.5 | S97 V101 C103 | S97-S99 PolarHBondContact O-N 3.02Å; S97-S99 PolarHBondContact OG-OG 2.82Å; S99-V101 VanDerWaalsContact C-N 3.34Å; S99-C103 VanDerWaalsContact O-CB 3.3Å; S99-C103 WeakPolarHBondContact O-CB 3.37Å; S99-C103 PolarHBondContact O-N 2.96Å; S99-C103 PolarHBondContact O-SG 3.23Å |
| 100 | L | 71.5 | Confident | 69.3 | Low | 50 Ų | 50 | 75 Ų | 75 | 26% | 0.262 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -75.4 | -30.8 | 178.5 | -66.6 | 170.3 | 0 | 0 | 0 | 110.9 | C94 L95 P96 S97 S98 A104 | C94-L100 WeakPolarHBondContact O-CD1 3.49Å; L95-L100 VanDerWaalsContact CD2-C 3.46Å; L95-L100 HydrophobicContact CD2-CB 3.51Å; L95-L100 WeakPolarHBondContact CD2-O 3.13Å; P96-L100 HydrophobicContact CG-CD1 4.11Å; S97-L100 PolarHBondContact O-N 3.2Å; S98-L100 VanDerWaalsContact C-N 3.29Å; S98-L100 PolarHBondContact O-N 3.4Å; L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.06Å |
| 101 | V | 72.5 | Confident | 69.6 | Low | 55 Ų | 55 | 72.8 Ų | 72.8 | 33% | 0.333 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 172.1 | 178.3 | 0 | 0 | 0 | 0 | 109.6 | L95 S97 S98 S99 A104 F105 | L95-V101 HydrophobicContact CB-CG2 4.17Å; L95-V101 HydrophobicContact CD1-CG2 4.23Å; S97-V101 PolarHBondContact O-N 3.06Å; S98-V101 WeakPolarHBondContact O-CB 3.39Å; S98-V101 PolarHBondContact O-N 2.91Å; S98-V101 VanDerWaalsContact O-N 3.1Å; S99-V101 VanDerWaalsContact C-N 3.34Å; V101-A104 PolarHBondContact O-N 3.48Å; V101-F105 HydrophobicContact CG1-CD2 3.65Å; V101-F105 HydrophobicContact CG1-CE2 3.48Å; V101-F105 VanDerWaalsContact CG1-CE2 3.48Å; V101-F105 WeakPolarHBondContact O-CD2 3.16Å; V101-F105 PolarHBondContact O-N 2.92Å |
| 102 | E | 75.2 | Confident | 69.8 | Low | 134 Ų | 134 | 72.9 Ų | 72.9 | 63% | 0.626 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -61 | -46.4 | 176.4 | -70.9 | 177.4 | -168.7 | 0 | 0 | 112.3 | S98 A104 F105 S106 | S98-E102 PolarHBondContact O-N 3.49Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.16Å; E102-F105 PolarHBondContact O-N 3.49Å; E102-S106 PolarHBondContact O-N 2.91Å |
| 103 | C | 75.6 | Confident | 70.1 | Confident | 68 Ų | 68 | 71.4 Ų | 71.4 | 46% | 0.459 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 173.7 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | S99 F105 S106 I107 | S99-C103 VanDerWaalsContact O-CB 3.3Å; S99-C103 WeakPolarHBondContact O-CB 3.37Å; S99-C103 PolarHBondContact O-N 2.96Å; S99-C103 PolarHBondContact O-SG 3.23Å; C103-F105 PolarHBondContact O-N 2.98Å; C103-S106 PolarHBondContact O-N 3.05Å; C103-I107 WeakPolarHBondContact O-CB 3.44Å; C103-I107 WeakPolarHBondContact O-CD1 3.2Å; C103-I107 WeakPolarHBondContact O-CG1 3.42Å; C103-I107 PolarHBondContact O-N 3.24Å |
| 104 | A | 74.6 | Confident | 70.3 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L95 L100 V101 E102 I107 V108 V131 | L95-A104 HydrophobicContact CD2-CB 4.32Å; L100-A104 WeakPolarHBondContact O-CB 3.32Å; L100-A104 PolarHBondContact O-N 3.06Å; V101-A104 PolarHBondContact O-N 3.48Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 3.16Å; A104-I107 PolarHBondContact O-N 3.29Å; A104-V108 WeakPolarHBondContact O-CB 3.42Å; A104-V108 WeakPolarHBondContact O-CG2 3.16Å; A104-V108 PolarHBondContact O-N 3.11Å; A104-V131 HydrophobicContact CB-CG2 4.3Å |
| 105 | F | 75.4 | Confident | 70.2 | Confident | 140 Ų | 140 | 80 Ų | 80 | 61% | 0.614 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 174.9 | -84.9 | -69.8 | 0 | 0 | 0 | 112.1 | V101 E102 C103 I107 V108 T109 | V101-F105 HydrophobicContact CG1-CD2 3.65Å; V101-F105 HydrophobicContact CG1-CE2 3.48Å; V101-F105 VanDerWaalsContact CG1-CE2 3.48Å; V101-F105 WeakPolarHBondContact O-CD2 3.16Å; V101-F105 PolarHBondContact O-N 2.92Å; E102-F105 PolarHBondContact O-N 3.49Å; C103-F105 PolarHBondContact O-N 2.98Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.19Å; F105-V108 PolarHBondContact O-N 3.3Å; F105-T109 WeakPolarHBondContact O-CG2 3.5Å; F105-T109 PolarHBondContact O-N 2.69Å; F105-T109 PolarHBondContact O-OG1 3.35Å |
| 106 | S | 78.4 | Confident | 70 | Confident | 66 Ų | 66 | 89.1 Ų | 89.1 | 46% | 0.462 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60 | -40.5 | 175.7 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | E102 C103 T109 D110 | E102-S106 PolarHBondContact O-N 2.91Å; C103-S106 PolarHBondContact O-N 3.05Å; S106-T109 WeakPolarHBondContact CA-OG1 3.47Å; S106-T109 PolarHBondContact O-OG1 3.44Å; S106-D110 WeakPolarHBondContact O-CB 3.22Å; S106-D110 PolarHBondContact O-N 2.93Å |
| 107 | I | 72.5 | Confident | 69.5 | Low | 30 Ų | 30 | 87.4 Ų | 87.4 | 15% | 0.154 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66 | -46.2 | 175.7 | -70.1 | 163.5 | 0 | 0 | 0 | 109.7 | C103 A104 F105 T109 D110 L111 L127 R130 V131 | C103-I107 WeakPolarHBondContact O-CB 3.44Å; C103-I107 WeakPolarHBondContact O-CD1 3.2Å; C103-I107 WeakPolarHBondContact O-CG1 3.42Å; C103-I107 PolarHBondContact O-N 3.24Å; A104-I107 PolarHBondContact O-N 3.29Å; F105-I107 VanDerWaalsContact C-N 3.29Å; F105-I107 PolarHBondContact O-N 3.19Å; I107-T109 PolarHBondContact O-N 2.89Å; I107-D110 PolarHBondContact O-N 3.27Å; I107-L111 HydrophobicContact CB-CD1 4.47Å; I107-L111 HydrophobicContact CG2-CD1 3.31Å; I107-L111 WeakPolarHBondContact O-CD1 3.17Å; I107-L111 PolarHBondContact O-N 3.46Å; I107-L127 HydrophobicContact CB-CD1 4.15Å; I107-L127 HydrophobicContact CG2-CD1 3.62Å; I107-R130 HydrophobicContact CD1-CB 4.18Å; I107-R130 HydrophobicContact CG2-CB 3.99Å; I107-V131 HydrophobicContact CD1-CG2 3.78Å |
| 108 | V | 73.3 | Confident | 68.8 | Low | 45 Ų | 45 | 94.8 Ų | 94.8 | 27% | 0.273 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 177.1 | 168.2 | 0 | 0 | 0 | 0 | 111.1 | A104 F105 D110 L111 V112 L127 | A104-V108 WeakPolarHBondContact O-CB 3.42Å; A104-V108 WeakPolarHBondContact O-CG2 3.16Å; A104-V108 PolarHBondContact O-N 3.11Å; F105-V108 PolarHBondContact O-N 3.3Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3Å; V108-L111 PolarHBondContact O-N 3.44Å; V108-V112 HydrophobicContact CG1-CG2 4.18Å; V108-V112 WeakPolarHBondContact O-CB 3.47Å; V108-V112 WeakPolarHBondContact O-CG2 3.3Å; V108-V112 PolarHBondContact O-N 3.17Å; V108-L127 HydrophobicContact CG2-CD1 4Å; V108-L127 HydrophobicContact CG2-CD2 4.13Å |
| 109 | T | 71.1 | Confident | 67.9 | Low | 72 Ų | 72 | 94.1 Ų | 94.1 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.4 | 51.8 | 0 | 0 | 0 | 0 | 111 | F105 S106 I107 L111 V112 T113 | F105-T109 WeakPolarHBondContact O-CG2 3.5Å; F105-T109 PolarHBondContact O-N 2.69Å; F105-T109 PolarHBondContact O-OG1 3.35Å; S106-T109 WeakPolarHBondContact CA-OG1 3.47Å; S106-T109 PolarHBondContact O-OG1 3.44Å; I107-T109 PolarHBondContact O-N 2.89Å; T109-L111 PolarHBondContact O-N 2.96Å; T109-V112 PolarHBondContact O-N 3.18Å; T109-T113 WeakPolarHBondContact O-CB 3.35Å; T109-T113 WeakPolarHBondContact O-CG2 3.41Å; T109-T113 PolarHBondContact O-N 3.47Å; T109-T113 PolarHBondContact O-OG1 3.11Å |
| 110 | D | 71.6 | Confident | 67.1 | Low | 70 Ų | 70 | 96.4 Ų | 96.4 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 175.7 | -84 | 3.2 | 0 | 0 | 0 | 112.7 | S106 I107 V108 K114 | S106-D110 WeakPolarHBondContact O-CB 3.22Å; S106-D110 PolarHBondContact O-N 2.93Å; I107-D110 PolarHBondContact O-N 3.27Å; V108-D110 VanDerWaalsContact C-N 3.34Å; V108-D110 PolarHBondContact O-N 3Å; D110-K114 WeakPolarHBondContact O-CB 3.17Å; D110-K114 PolarHBondContact O-N 3.18Å |
| 111 | L | 69.2 | Low | 66.4 | Low | 31 Ų | 31 | 96.5 Ų | 96.5 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 176.1 | -91 | 88.9 | 0 | 0 | 0 | 111.6 | I107 V108 T109 I121 | I107-L111 HydrophobicContact CB-CD1 4.47Å; I107-L111 HydrophobicContact CG2-CD1 3.31Å; I107-L111 WeakPolarHBondContact O-CD1 3.17Å; I107-L111 PolarHBondContact O-N 3.46Å; V108-L111 PolarHBondContact O-N 3.44Å; T109-L111 PolarHBondContact O-N 2.96Å; L111-I121 HydrophobicContact CD2-CG1 4.01Å |
| 112 | V | 66.6 | Low | 65.6 | Low | 94 Ų | 94 | 100.3 Ų | 100.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78 | -34.6 | -176.1 | 174.9 | 0 | 0 | 0 | 0 | 111.5 | V108 T109 I121 | V108-V112 HydrophobicContact CG1-CG2 4.18Å; V108-V112 WeakPolarHBondContact O-CB 3.47Å; V108-V112 WeakPolarHBondContact O-CG2 3.3Å; V108-V112 PolarHBondContact O-N 3.17Å; T109-V112 PolarHBondContact O-N 3.18Å; V112-I121 HydrophobicContact CG2-CD1 3.94Å |
| 113 | T | 67.3 | Low | 64.7 | Low | 96 Ų | 96 | 103.8 Ų | 103.8 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -81.1 | -29.6 | -178.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | T109 K115 | T109-T113 WeakPolarHBondContact O-CB 3.35Å; T109-T113 WeakPolarHBondContact O-CG2 3.41Å; T109-T113 PolarHBondContact O-N 3.47Å; T109-T113 PolarHBondContact O-OG1 3.11Å; T113-K115 PolarHBondContact O-N 3.41Å |
| 114 | K | 64.3 | Low | 63.9 | Low | 156 Ų | 156 | 109.3 Ų | 109.3 | 68% | 0.678 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -79.1 | 74.4 | 173.4 | -72 | 178.7 | 178.6 | 166.5 | 0 | 110.8 | D110 R116 | D110-K114 WeakPolarHBondContact O-CB 3.17Å; D110-K114 PolarHBondContact O-N 3.18Å; K114-R116 PolarHBondContact O-N 2.79Å |
| 115 | K | 54.7 | Low | 63.4 | Low | 190 Ų | 190 | 110.1 Ų | 110.1 | 83% | 0.826 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 94.8 | 168.7 | -82.9 | 177.1 | 171.5 | 171.6 | 0 | 111.6 | T113 | T113-K115 PolarHBondContact O-N 3.41Š|
| 116 | R | 51.8 | Low | 62.9 | Low | 255 Ų | 255 | 104.9 Ų | 104.9 | 96% | 0.962 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -173.3 | 4.4 | 146.4 | -103.8 | 168.4 | -158 | -164.6 | 7.6 | 116.7 | K114 | K114-R116 PolarHBondContact O-N 2.79Š|
| 117 | S | 56.3 | Low | 62.3 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | trans | -134.5 | 125.5 | 169.9 | 55 | 0 | 0 | 0 | 0 | 110.9 | L119 | S117-L119 PolarHBondContact O-N 2.98Å; S117-L119 WeakPolarHBondContact OG-CD1 3.35Å | ||
| 118 | Q | 54.8 | Low | 62.1 | Low | 200 Ų | 200 | 107.7 Ų | 107.7 | 94% | 0.935 | 52% | 0.519 | S | S | * | . | trans | -67.2 | 65 | 173 | -71.3 | 178.8 | -29.5 | 0 | 0 | 110.7 | Q120 | Q118-Q120 PolarHBondContact O-N 2.7Š| ||
| 119 | L | 55.7 | Low | 61.8 | Low | 77 Ų | 77 | 109.1 Ų | 109.1 | 40% | 0.403 | 53% | 0.525 | S | S | . | . | trans | -84.1 | 118.9 | 179.6 | -72.4 | 172.5 | 0 | 0 | 0 | 110.1 | S117 I121 | S117-L119 PolarHBondContact O-N 2.98Å; S117-L119 WeakPolarHBondContact OG-CD1 3.35Å; L119-I121 PolarHBondContact O-N 2.81Å | ||
| 120 | Q | 57.4 | Low | 61.7 | Low | 106 Ų | 106 | 112.6 Ų | 112.6 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | trans | -77 | 87.6 | -178.2 | -65.5 | 177.1 | -9.8 | 0 | 0 | 109.9 | Q118 V122 R123 R124 | Q118-Q120 PolarHBondContact O-N 2.7Å; Q120-V122 PolarHBondContact O-N 3.03Å; Q120-R123 HydrophobicContact CB-CB 3.93Å; Q120-R123 HydrophobicContact CB-CG 4.46Å; Q120-R123 PolarHBondContact O-N 3.35Å; Q120-R123 VanDerWaalsContact O-N 3.08Å; Q120-R123 VanDerWaalsContact OE1-CB 3.31Å; Q120-R124 PolarHBondContact O-N 3.49Å | ||
| 121 | I | 57.1 | Low | 61.5 | Low | 52 Ų | 52 | 110.9 Ų | 110.9 | 27% | 0.267 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43 | -38.9 | 176.4 | -60.6 | 172.5 | 0 | 0 | 0 | 111.9 | L111 V112 L119 L127 | L111-I121 HydrophobicContact CD2-CG1 4.01Å; V112-I121 HydrophobicContact CG2-CD1 3.94Å; L119-I121 PolarHBondContact O-N 2.81Å; I121-L127 HydrophobicContact CG2-CB 4.37Å |
| 122 | V | 54.1 | Low | 61.5 | Low | 136 Ų | 136 | 111.1 Ų | 111.1 | 82% | 0.824 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -31.2 | -172.9 | -173.9 | 0 | 0 | 0 | 0 | 113.2 | Q120 | Q120-V122 PolarHBondContact O-N 3.03Š|
| 123 | R | 56.4 | Low | 61.4 | Low | 207 Ų | 207 | 112.7 Ų | 112.7 | 78% | 0.781 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | -33.7 | -169.6 | -69.1 | -167.9 | 172.5 | -171.5 | 2.8 | 114.5 | Q120 | Q120-R123 HydrophobicContact CB-CB 3.93Å; Q120-R123 HydrophobicContact CB-CG 4.46Å; Q120-R123 PolarHBondContact O-N 3.35Å; Q120-R123 VanDerWaalsContact O-N 3.08Å; Q120-R123 VanDerWaalsContact OE1-CB 3.31Å |
| 124 | R | 59.9 | Low | 61.5 | Low | 184 Ų | 184 | 112.4 Ų | 112.4 | 69% | 0.694 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -93.1 | -17.3 | -179.4 | -90 | -175.6 | 171.7 | 168.5 | -2.9 | 114.7 | Q120 D126 | Q120-R124 PolarHBondContact O-N 3.49Å; R124-D126 VanDerWaalsContact C-N 3.33Å; R124-D126 WeakPolarHBondContact CB-OD1 3.43Å |
| 125 | G | 63.7 | Low | 61.6 | Low | 27 Ų | 27 | 113.6 Ų | 113.6 | 28% | 0.278 | 54% | 0.541 | S | S | . | . | trans | 75.2 | 23.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L127 R128 L129 | G125-L127 PolarHBondContact O-N 3.28Å; G125-R128 WeakPolarHBondContact O-CA 3.3Å; G125-R128 VanDerWaalsContact O-CB 3.31Å; G125-R128 WeakPolarHBondContact O-CB 3.36Å; G125-R128 PolarHBondContact O-N 2.97Å; G125-L129 PolarHBondContact O-N 2.71Å | ||
| 126 | D | 65 | Low | 62 | Low | 30 Ų | 30 | 107.9 Ų | 107.9 | 16% | 0.16 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -58.1 | -34.4 | -179.7 | -63.5 | -26 | 0 | 0 | 0 | 112.2 | R124 R128 L129 R130 | R124-D126 VanDerWaalsContact C-N 3.33Å; R124-D126 WeakPolarHBondContact CB-OD1 3.43Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 2.88Å; D126-L129 PolarHBondContact O-N 2.67Å; D126-R130 PolarHBondContact O-N 3.23Å; D126-R130 VanDerWaalsContact O-N 3.09Å |
| 127 | L | 65.6 | Low | 62.9 | Low | 35 Ų | 35 | 100.1 Ų | 100.1 | 18% | 0.183 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 173.1 | -176.4 | 61.1 | 0 | 0 | 0 | 111.4 | I107 V108 I121 G125 R130 V131 | I107-L127 HydrophobicContact CB-CD1 4.15Å; I107-L127 HydrophobicContact CG2-CD1 3.62Å; V108-L127 HydrophobicContact CG2-CD1 4Å; V108-L127 HydrophobicContact CG2-CD2 4.13Å; I121-L127 HydrophobicContact CG2-CB 4.37Å; G125-L127 PolarHBondContact O-N 3.28Å; L127-R130 PolarHBondContact O-N 2.92Å; L127-V131 HydrophobicContact CD1-CG2 3.83Å; L127-V131 HydrophobicContact CG-CG2 4.12Å; L127-V131 VanDerWaalsContact O-CB 3.31Å; L127-V131 WeakPolarHBondContact O-CB 3.4Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å |
| 128 | R | 68.8 | Low | 63.7 | Low | 120 Ų | 120 | 102.2 Ų | 102.2 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178 | -173.7 | 177.3 | 170.7 | -131.9 | -0.2 | 111.2 | K90 G125 D126 R130 V131 T132 | K90-R128 VanDerWaalsContact CE-NH1 3.32Å; G125-R128 WeakPolarHBondContact O-CA 3.3Å; G125-R128 VanDerWaalsContact O-CB 3.31Å; G125-R128 WeakPolarHBondContact O-CB 3.36Å; G125-R128 PolarHBondContact O-N 2.97Å; D126-R128 VanDerWaalsContact C-N 3.33Å; D126-R128 PolarHBondContact O-N 2.88Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.44Å; R128-V131 PolarHBondContact O-N 3.13Å; R128-T132 HydrophobicContact CG-CG2 4.31Å; R128-T132 WeakPolarHBondContact O-CB 3.47Å; R128-T132 WeakPolarHBondContact O-CG2 3.45Å; R128-T132 PolarHBondContact O-N 3.05Å; R128-T132 PolarHBondContact O-OG1 2.85Å |
| 129 | L | 66.5 | Low | 64.5 | Low | 75 Ų | 75 | 98 Ų | 98 | 39% | 0.393 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -29.7 | 175.7 | -69.7 | 175.7 | 0 | 0 | 0 | 113 | G125 D126 P136 | G125-L129 PolarHBondContact O-N 2.71Å; D126-L129 PolarHBondContact O-N 2.67Å; L129-P136 HydrophobicContact CD2-CB 4.26Å; L129-P136 HydrophobicContact CD2-CG 4.4Å |
| 130 | R | 68.2 | Low | 65.5 | Low | 146 Ų | 146 | 103.4 Ų | 103.4 | 55% | 0.551 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -86.1 | -31.9 | 175.2 | -79.5 | -173.9 | 179 | -169.1 | 0.7 | 114.5 | I107 D126 L127 R128 | I107-R130 HydrophobicContact CD1-CB 4.18Å; I107-R130 HydrophobicContact CG2-CB 3.99Å; D126-R130 PolarHBondContact O-N 3.23Å; D126-R130 VanDerWaalsContact O-N 3.09Å; L127-R130 PolarHBondContact O-N 2.92Å; R128-R130 VanDerWaalsContact C-N 3.29Å; R128-R130 PolarHBondContact O-N 3.44Å |
| 131 | V | 69.1 | Low | 66 | Low | 34 Ų | 34 | 103.1 Ų | 103.1 | 21% | 0.206 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -78.7 | -25.4 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | A104 I107 L127 R128 | A104-V131 HydrophobicContact CB-CG2 4.3Å; I107-V131 HydrophobicContact CD1-CG2 3.78Å; L127-V131 HydrophobicContact CD1-CG2 3.83Å; L127-V131 HydrophobicContact CG-CG2 4.12Å; L127-V131 VanDerWaalsContact O-CB 3.31Å; L127-V131 WeakPolarHBondContact O-CB 3.4Å; L127-V131 WeakPolarHBondContact O-CG2 3.44Å; L127-V131 PolarHBondContact O-N 3.1Å; R128-V131 PolarHBondContact O-N 3.13Å |
| 132 | T | 67.3 | Low | 66.7 | Low | 35 Ų | 35 | 102.6 Ų | 102.6 | 22% | 0.215 | 51% | 0.509 | C | S | . | . | S | Bend | trans | -107.7 | 143.4 | 177.7 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | R128 I134 | R128-T132 HydrophobicContact CG-CG2 4.31Å; R128-T132 WeakPolarHBondContact O-CB 3.47Å; R128-T132 WeakPolarHBondContact O-CG2 3.45Å; R128-T132 PolarHBondContact O-N 3.05Å; R128-T132 PolarHBondContact O-OG1 2.85Å; T132-I134 HydrophobicContact CG2-CD1 4.38Å; T132-I134 PolarHBondContact O-N 2.97Å; T132-I134 WeakPolarHBondContact OG1-CD1 3.19Å; T132-I134 WeakPolarHBondContact OG1-CG1 3.45Å |
| 133 | S | 64.8 | Low | 67.6 | Low | 128 Ų | 128 | 102.7 Ų | 102.7 | 90% | 0.895 | 50% | 0.501 | S | S | * | . | trans | -72.7 | 26.9 | 172.6 | 60.9 | 0 | 0 | 0 | 0 | 113 | E135 | S133-E135 PolarHBondContact O-N 3.14Š| ||
| 134 | I | 71 | Confident | 68.1 | Low | 89 Ų | 89 | 96.8 Ų | 96.8 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | trans | -84.8 | 110.6 | -178.7 | -61.6 | 173.1 | 0 | 0 | 0 | 107.7 | T132 P136 | T132-I134 HydrophobicContact CG2-CD1 4.38Å; T132-I134 PolarHBondContact O-N 2.97Å; T132-I134 WeakPolarHBondContact OG1-CD1 3.19Å; T132-I134 WeakPolarHBondContact OG1-CG1 3.45Å; I134-P136 WeakPolarHBondContact O-CD 3.12Å | ||
| 135 | E | 65.4 | Low | 68.1 | Low | 181 Ų | 181 | 94.9 Ų | 94.9 | 85% | 0.846 | 49% | 0.489 | S | S | * | . | trans | -75.4 | 121.4 | 170.8 | -65.8 | -175.4 | 156.5 | 0 | 0 | 109.8 | S133 N137 | S133-E135 PolarHBondContact O-N 3.14Å; E135-N137 PolarHBondContact O-N 3.38Å | ||
| 136 | P | 62.6 | Low | 67.6 | Low | 70 Ų | 70 | 99.7 Ų | 99.7 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | trans | -69.4 | 133.5 | 175.2 | 28.5 | -31.9 | 0 | 0 | 0 | 109.4 | L129 I134 I138 | L129-P136 HydrophobicContact CD2-CB 4.26Å; L129-P136 HydrophobicContact CD2-CG 4.4Å; I134-P136 WeakPolarHBondContact O-CD 3.12Å; P136-I138 WeakPolarHBondContact O-CG1 3.32Å; P136-I138 PolarHBondContact O-N 3.44Å | ||
| 137 | N | 71.7 | Confident | 66.8 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | trans | -68.9 | 97.6 | 171.6 | -174.4 | -53.4 | 0 | 0 | 0 | 109.1 | E135 D139 R140 L141 | E135-N137 PolarHBondContact O-N 3.38Å; N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.48Å; N137-D139 PolarHBondContact OD1-N 3.23Å; N137-R140 HydrophobicContact CB-CB 4.5Å; N137-R140 WeakPolarHBondContact OD1-CG 3.45Å; N137-R140 PolarHBondContact OD1-N 3.14Å; N137-L141 PolarHBondContact O-N 3.22Å | ||
| 138 | I | 72.2 | Confident | 65.9 | Low | 123 Ų | 123 | 108.6 Ų | 108.6 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.8 | -37 | -175 | -53.1 | 178.1 | 0 | 0 | 0 | 110.1 | P136 L141 A142 | P136-I138 WeakPolarHBondContact O-CG1 3.32Å; P136-I138 PolarHBondContact O-N 3.44Å; I138-L141 PolarHBondContact O-N 3.04Å; I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 3.35Å |
| 139 | D | 72.9 | Confident | 64.8 | Low | 112 Ų | 112 | 108.8 Ų | 108.8 | 60% | 0.599 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.5 | -46.6 | -177.6 | -54.2 | -44.8 | 0 | 0 | 0 | 111.7 | N137 L141 A142 Q143 | N137-D139 VanDerWaalsContact C-N 3.28Å; N137-D139 PolarHBondContact O-N 3.48Å; N137-D139 PolarHBondContact OD1-N 3.23Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 2.81Å; D139-A142 PolarHBondContact O-N 2.89Å; D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 WeakPolarHBondContact O-CG 3.44Å; D139-Q143 PolarHBondContact O-N 3.43Å |
| 140 | R | 75 | Confident | 63.9 | Low | 189 Ų | 189 | 109.7 Ų | 109.7 | 71% | 0.713 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.9 | -37.7 | 175.2 | -71.9 | -170.4 | 92.2 | -171.5 | 9.2 | 111.9 | N137 S144 | N137-R140 HydrophobicContact CB-CB 4.5Å; N137-R140 WeakPolarHBondContact OD1-CG 3.45Å; N137-R140 PolarHBondContact OD1-N 3.14Å; R140-S144 PolarHBondContact O-N 2.86Å; R140-S144 PolarHBondContact O-OG 3.39Å |
| 141 | L | 68.8 | Low | 63.4 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -44.8 | 179.1 | -164.5 | 75.6 | 0 | 0 | 0 | 110.7 | N137 I138 D139 S144 H145 | N137-L141 PolarHBondContact O-N 3.22Å; I138-L141 PolarHBondContact O-N 3.04Å; D139-L141 VanDerWaalsContact C-N 3.3Å; D139-L141 PolarHBondContact O-N 2.81Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.23Å; L141-H145 PolarHBondContact O-CD2 3.46Å; L141-H145 VanDerWaalsContact O-CD2 3.31Å; L141-H145 PolarHBondContact O-N 3.26Å |
| 142 | A | 71.5 | Confident | 62.6 | Low | 41 Ų | 41 | 110.7 Ų | 110.7 | 34% | 0.339 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.8 | -48 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I138 D139 S144 H145 L146 | I138-A142 WeakPolarHBondContact O-CB 3.41Å; I138-A142 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 2.89Å; A142-S144 VanDerWaalsContact C-N 3.28Å; A142-S144 PolarHBondContact O-N 2.67Å; A142-H145 PolarHBondContact O-N 2.78Å; A142-H145 VanDerWaalsContact O-N 3.1Å; A142-L146 HydrophobicContact CB-CD1 4.43Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.24Å |
| 143 | Q | 72.8 | Confident | 61.9 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.9 | -36.9 | 176.9 | -72.1 | 168.2 | 22.1 | 0 | 0 | 112.9 | D139 H145 | D139-Q143 WeakPolarHBondContact O-CB 3.47Å; D139-Q143 WeakPolarHBondContact O-CG 3.44Å; D139-Q143 PolarHBondContact O-N 3.43Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 3.27Å |
| 144 | S | 67 | Low | 61.3 | Low | 82 Ų | 82 | 115.1 Ų | 115.1 | 57% | 0.573 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.3 | -20.7 | 178.7 | 71.6 | 0 | 0 | 0 | 0 | 114.5 | R140 L141 A142 | R140-S144 PolarHBondContact O-N 2.86Å; R140-S144 PolarHBondContact O-OG 3.39Å; L141-S144 PolarHBondContact O-N 3.44Å; L141-S144 PolarHBondContact O-OG 3.23Å; A142-S144 VanDerWaalsContact C-N 3.28Å; A142-S144 PolarHBondContact O-N 2.67Å |
| 145 | H | 61.3 | Low | 60.1 | Low | 144 Ų | 144 | 117 Ų | 117 | 67% | 0.667 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -107.3 | -14.9 | -178.2 | -75.4 | -60.1 | 0 | 0 | 0 | 113.9 | L141 A142 Q143 G147 | L141-H145 PolarHBondContact O-CD2 3.46Å; L141-H145 VanDerWaalsContact O-CD2 3.31Å; L141-H145 PolarHBondContact O-N 3.26Å; A142-H145 PolarHBondContact O-N 2.78Å; A142-H145 VanDerWaalsContact O-N 3.1Å; Q143-H145 VanDerWaalsContact C-N 3.31Å; Q143-H145 PolarHBondContact O-N 3.27Å; H145-G147 VanDerWaalsContact C-N 3.32Å; H145-G147 PolarHBondContact O-N 3.07Å |
| 146 | L | 52.3 | Low | 59.9 | Low | 129 Ų | 129 | 112.2 Ų | 112.2 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | trans | -78.3 | 86.1 | 167.6 | -69 | 167.4 | 0 | 0 | 0 | 108 | A142 E148 | A142-L146 HydrophobicContact CB-CD1 4.43Å; A142-L146 WeakPolarHBondContact O-CB 3.49Å; A142-L146 VanDerWaalsContact O-CG 3.23Å; A142-L146 WeakPolarHBondContact O-CG 3.25Å; A142-L146 PolarHBondContact O-N 3.24Å; L146-E148 PolarHBondContact O-N 2.93Å | ||
| 147 | G | 48 | Very low | 59.7 | Low | 68 Ų | 68 | 114 Ų | 114 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | trans | -52.1 | 134.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | H145 | H145-G147 VanDerWaalsContact C-N 3.32Å; H145-G147 PolarHBondContact O-N 3.07Å | ||
| 148 | E | 45.9 | Very low | 59.1 | Low | 183 Ų | 183 | 121.3 Ų | 121.3 | 86% | 0.855 | 69% | 0.688 | S | S | * | * | trans | -45.4 | 132.5 | -172.7 | -62.3 | -161.2 | 153.1 | 0 | 0 | 111.6 | L146 S150 | L146-E148 PolarHBondContact O-N 2.93Å; E148-S150 PolarHBondContact O-N 3.17Å | ||
| 149 | P | 46.9 | Very low | 58.6 | Low | 124 Ų | 124 | 121.1 Ų | 121.1 | 81% | 0.805 | 68% | 0.683 | S | S | * | * | trans | -62 | 109.5 | -178.9 | 24.4 | -31.4 | 0 | 0 | 0 | 108.4 | S151 | P149-S151 PolarHBondContact O-N 2.96Š| ||
| 150 | S | 47.5 | Very low | 58.4 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | -56.9 | 115.3 | 173.8 | 61.5 | 0 | 0 | 0 | 0 | 108.1 | E148 S152 | E148-S150 PolarHBondContact O-N 3.17Å; S150-S152 PolarHBondContact O-N 3Å | ||
| 151 | S | 58.1 | Low | 57.2 | Low | 124 Ų | 124 | 121.7 Ų | 121.7 | 87% | 0.867 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -70.4 | 30.3 | -172.1 | 50.2 | 0 | 0 | 0 | 0 | 114.6 | P149 | P149-S151 PolarHBondContact O-N 2.96Š|
| 152 | S | 50.7 | Low | 57.1 | Low | 77 Ų | 77 | 126.3 Ų | 126.3 | 54% | 0.538 | 69% | 0.694 | S | S | . | * | trans | -121.2 | 116.4 | -176.6 | -13.1 | 0 | 0 | 0 | 0 | 110.5 | S150 L154 | S150-S152 PolarHBondContact O-N 3Å; S152-L154 PolarHBondContact O-N 3.18Å; S152-L154 VanDerWaalsContact O-N 3.13Å | ||
| 153 | P | 53.3 | Low | 56.6 | Low | 127 Ų | 127 | 128.2 Ų | 128.2 | 83% | 0.825 | 70% | 0.696 | S | S | * | * | trans | -63.9 | 113.7 | 172 | -17 | 29.6 | 0 | 0 | 0 | 109.6 | P155 | P153-P155 WeakPolarHBondContact O-CD 3.23Š| ||
| 154 | L | 52.3 | Low | 55.9 | Low | 128 Ų | 128 | 126.9 Ų | 126.9 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | trans | -71.5 | 118.6 | 173 | -70.7 | 175.3 | 0 | 0 | 0 | 109.6 | S152 G156 I157 | S152-L154 PolarHBondContact O-N 3.18Å; S152-L154 VanDerWaalsContact O-N 3.13Å; L154-G156 PolarHBondContact O-N 3.26Å; L154-I157 HydrophobicContact CB-CD1 4.4Å; L154-I157 HydrophobicContact CD1-CD1 4.28Å | ||
| 155 | P | 46.3 | Very low | 55.2 | Low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 125 | 179.5 | 27.5 | -29.4 | 0 | 0 | 0 | 110.1 | P153 | P153-P155 WeakPolarHBondContact O-CD 3.23Š|
| 156 | G | 60 | Low | 55 | Low | 81 Ų | 81 | 121.3 Ų | 121.3 | 84% | 0.835 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 114.4 | -1.2 | 168 | 0 | 0 | 0 | 0 | 0 | 116.9 | L154 R158 | L154-G156 PolarHBondContact O-N 3.26Å; G156-R158 PolarHBondContact O-N 3.49Å |
| 157 | I | 60.2 | Low | 54.9 | Low | 108 Ų | 108 | 118.2 Ų | 118.2 | 55% | 0.554 | 66% | 0.659 | S | S | * | * | trans | -85.9 | 109.4 | 174.6 | -56.8 | -176.7 | 0 | 0 | 0 | 109.5 | L154 F159 | L154-I157 HydrophobicContact CB-CD1 4.4Å; L154-I157 HydrophobicContact CD1-CD1 4.28Å; I157-F159 PolarHBondContact O-N 2.66Å | ||
| 158 | R | 59.2 | Low | 55.3 | Low | 244 Ų | 244 | 119.4 Ų | 119.4 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | trans | -70.5 | 93.1 | 171.2 | -146.7 | -179.6 | -164.4 | -172.8 | 4.7 | 107.9 | G156 N160 | G156-R158 PolarHBondContact O-N 3.49Å; R158-N160 PolarHBondContact O-N 3.41Å | ||
| 159 | F | 60.4 | Low | 55.7 | Low | 120 Ų | 120 | 118.3 Ų | 118.3 | 53% | 0.526 | 65% | 0.652 | S | S | . | * | trans | -53.1 | 125.9 | 174.7 | -96.2 | -99.9 | 0 | 0 | 0 | 109.9 | I157 Q163 Q164 | I157-F159 PolarHBondContact O-N 2.66Å; F159-Q163 HydrophobicContact CD1-CB 3.5Å; F159-Q163 HydrophobicContact CD1-CG 4.28Å; F159-Q163 HydrophobicContact CE1-CB 3.96Å; F159-Q163 HydrophobicContact CE1-CG 4.44Å; F159-Q164 HydrophobicContact CB-CG 4.39Å | ||
| 160 | N | 69.1 | Low | 55.9 | Low | 90 Ų | 90 | 119.7 Ų | 119.7 | 48% | 0.481 | 65% | 0.647 | S | S | . | * | trans | -74.4 | 153.5 | 177.6 | 56.7 | 16.7 | 0 | 0 | 0 | 109.9 | R158 W162 Q163 Q164 | R158-N160 PolarHBondContact O-N 3.41Å; N160-W162 PolarHBondContact O-N 3.15Å; N160-Q163 PolarHBondContact O-N 3.27Å; N160-Q163 VanDerWaalsContact OD1-CB 3.25Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N160-Q163 WeakPolarHBondContact OD1-CG 3.18Å; N160-Q163 PolarHBondContact OD1-N 3.23Å; N160-Q163 VanDerWaalsContact OD1-N 3.14Å; N160-Q163 PolarHBondContact OD1-OE1 3.1Å; N160-Q163 VanDerWaalsContact OD1-OE1 3.08Å; N160-Q164 PolarHBondContact O-N 3.22Å; N160-Q164 VanDerWaalsContact O-N 3.13Å | ||
| 161 | R | 50.5 | Low | 55.9 | Low | 222 Ų | 222 | 122.2 Ų | 122.2 | 84% | 0.838 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -54.9 | -25.9 | -176.5 | -176.3 | 177.8 | -75.6 | -167.5 | -3.9 | 113 | G165 | R161-G165 PolarHBondContact O-N 3.4Å |
| 162 | W | 65.5 | Low | 55.2 | Low | 197 Ų | 197 | 123.1 Ų | 123.1 | 75% | 0.746 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -72.4 | -43.5 | 176.4 | -160 | 76.2 | 0 | 0 | 0 | 112.4 | N160 Q164 G165 I166 | N160-W162 PolarHBondContact O-N 3.15Å; W162-Q164 VanDerWaalsContact C-N 3.31Å; W162-Q164 PolarHBondContact O-N 3.03Å; W162-G165 PolarHBondContact O-N 2.77Å; W162-G165 VanDerWaalsContact O-N 3.1Å; W162-I166 HydrophobicContact CD2-CD1 4.45Å; W162-I166 HydrophobicContact CE3-CD1 3.83Å; W162-I166 HydrophobicContact CH2-CD1 3.78Å; W162-I166 HydrophobicContact CZ2-CD1 4.38Å; W162-I166 HydrophobicContact CZ3-CD1 3.47Å; W162-I166 VanDerWaalsContact CZ3-CD1 3.47Å; W162-I166 PolarHBondContact O-N 2.88Å |
| 163 | Q | 61.1 | Low | 54.8 | Low | 82 Ų | 82 | 127.7 Ų | 127.7 | 38% | 0.383 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -67 | -31.4 | 173.2 | -75.3 | 172.7 | -39.9 | 0 | 0 | 112.7 | F159 N160 G165 I166 A167 | F159-Q163 HydrophobicContact CD1-CB 3.5Å; F159-Q163 HydrophobicContact CD1-CG 4.28Å; F159-Q163 HydrophobicContact CE1-CB 3.96Å; F159-Q163 HydrophobicContact CE1-CG 4.44Å; N160-Q163 PolarHBondContact O-N 3.27Å; N160-Q163 VanDerWaalsContact OD1-CB 3.25Å; N160-Q163 WeakPolarHBondContact OD1-CB 3.37Å; N160-Q163 WeakPolarHBondContact OD1-CG 3.18Å; N160-Q163 PolarHBondContact OD1-N 3.23Å; N160-Q163 VanDerWaalsContact OD1-N 3.14Å; N160-Q163 PolarHBondContact OD1-OE1 3.1Å; N160-Q163 VanDerWaalsContact OD1-OE1 3.08Å; Q163-G165 VanDerWaalsContact C-N 3.26Å; Q163-G165 PolarHBondContact O-N 3.35Å; Q163-I166 PolarHBondContact O-N 2.83Å; Q163-A167 PolarHBondContact O-N 2.85Å |
| 164 | Q | 58.9 | Low | 54.2 | Low | 111 Ų | 111 | 126.1 Ų | 126.1 | 52% | 0.519 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -65.1 | -30.8 | 171.2 | -71.7 | 175.4 | -0 | 0 | 0 | 112.2 | F159 N160 W162 S168 | F159-Q164 HydrophobicContact CB-CG 4.39Å; N160-Q164 PolarHBondContact O-N 3.22Å; N160-Q164 VanDerWaalsContact O-N 3.13Å; W162-Q164 VanDerWaalsContact C-N 3.31Å; W162-Q164 PolarHBondContact O-N 3.03Å; Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 3.11Å |
| 165 | G | 52.8 | Low | 53.8 | Low | 36 Ų | 36 | 129 Ų | 129 | 37% | 0.371 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -71.2 | -34.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | R161 W162 Q163 S168 Q169 | R161-G165 PolarHBondContact O-N 3.4Å; W162-G165 PolarHBondContact O-N 2.77Å; W162-G165 VanDerWaalsContact O-N 3.1Å; Q163-G165 VanDerWaalsContact C-N 3.26Å; Q163-G165 PolarHBondContact O-N 3.35Å; G165-S168 PolarHBondContact O-N 3.3Å; G165-Q169 PolarHBondContact O-N 3.31Å |
| 166 | I | 56 | Low | 53.6 | Low | 72 Ų | 72 | 131.3 Ų | 131.3 | 37% | 0.369 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -69.6 | -45.5 | 179.1 | -63.5 | 179 | 0 | 0 | 0 | 110.6 | W162 Q163 S168 Q169 E170 | W162-I166 HydrophobicContact CD2-CD1 4.45Å; W162-I166 HydrophobicContact CE3-CD1 3.83Å; W162-I166 HydrophobicContact CH2-CD1 3.78Å; W162-I166 HydrophobicContact CZ2-CD1 4.38Å; W162-I166 HydrophobicContact CZ3-CD1 3.47Å; W162-I166 VanDerWaalsContact CZ3-CD1 3.47Å; W162-I166 PolarHBondContact O-N 2.88Å; Q163-I166 PolarHBondContact O-N 2.83Å; I166-S168 PolarHBondContact O-N 3.49Å; I166-Q169 PolarHBondContact O-N 2.99Å; I166-Q169 VanDerWaalsContact O-N 3.07Å; I166-E170 PolarHBondContact O-N 3.45Å |
| 167 | A | 49.9 | Very low | 52.6 | Low | 65 Ų | 65 | 136.5 Ų | 136.5 | 54% | 0.537 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -65.2 | -22.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q163 | Q163-A167 PolarHBondContact O-N 2.85Å |
| 168 | S | 56.9 | Low | 51.9 | Low | 93 Ų | 93 | 137.6 Ų | 137.6 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.4 | 175 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | Q164 G165 I166 | Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 3.11Å; G165-S168 PolarHBondContact O-N 3.3Å; I166-S168 PolarHBondContact O-N 3.49Å |
| 169 | Q | 54.4 | Low | 50.7 | Low | 160 Ų | 160 | 133.2 Ų | 133.2 | 75% | 0.748 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -12.2 | 177.9 | -93.5 | -179.7 | -16 | 0 | 0 | 113.9 | G165 I166 L171 | G165-Q169 PolarHBondContact O-N 3.31Å; I166-Q169 PolarHBondContact O-N 2.99Å; I166-Q169 VanDerWaalsContact O-N 3.07Å; Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.99Å |
| 170 | E | 51.3 | Low | 50.1 | Low | 153 Ų | 153 | 133.5 Ų | 133.5 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 5.2 | 178.8 | -93.9 | 172.4 | 105.9 | 0 | 0 | 114.8 | I166 | I166-E170 PolarHBondContact O-N 3.45Š|
| 171 | L | 48.1 | Very low | 48.7 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.8 | 6.4 | -176 | -98.5 | 160.8 | 0 | 0 | 0 | 116 | Q169 | Q169-L171 VanDerWaalsContact C-N 3.32Å; Q169-L171 PolarHBondContact O-N 2.99Å |
| 172 | D | 42.6 | Very low | 48.7 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -127.6 | 18.2 | -178.2 | -88.1 | -43.8 | 0 | 0 | 0 | 114.7 | ||
| 173 | L | 42.5 | Very low | 47.6 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | trans | -113.3 | 52.5 | 174.3 | -66 | 176.4 | 0 | 0 | 0 | 111.7 | ||||
| 174 | S | 41.2 | Very low | 46.4 | Very low | 93 Ų | 93 | 134.1 Ų | 134.1 | 65% | 0.65 | 72% | 0.715 | S | S | * | * | trans | -114.4 | 138.7 | 155.9 | 56.3 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 175 | E | 42.9 | Very low | 45.5 | Very low | 189 Ų | 189 | 137.1 Ų | 137.1 | 88% | 0.883 | 74% | 0.735 | S | S | * | * | trans | 93.3 | 70.1 | 176.2 | -48.6 | -174.1 | 144.6 | 0 | 0 | 116.4 | ||||
| 176 | Q | 41.2 | Very low | 45 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | trans | -163.5 | 72.2 | 131.3 | -144.6 | 157.2 | 22.7 | 0 | 0 | 112.5 | ||||
| 177 | E | 40.3 | Very low | 44.3 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | trans | -75.6 | 114.6 | 150 | -70.9 | -178.8 | 128.3 | 0 | 0 | 106.5 | ||||
| 178 | N | 45.6 | Very low | 43.8 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | trans | -148.3 | 128.2 | 158 | -82.9 | -67.6 | 0 | 0 | 0 | 109.9 | ||||
| 179 | D | 33.6 | Very low | 43 | Very low | 152 Ų | 152 | 154.2 Ų | 154.2 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -49.4 | 130.5 | -175.3 | -55.5 | -92 | 0 | 0 | 0 | 115.8 | ||||
| 180 | V | 48.6 | Very low | 42.2 | Very low | 127 Ų | 127 | 155.6 Ų | 155.6 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | -138.5 | 99.9 | 150.4 | 173.9 | 0 | 0 | 0 | 0 | 108.8 | L182 | V180-L182 HydrophobicContact CG1-CD1 4.36Å; V180-L182 HydrophobicContact CG1-CG 4.06Å | ||
| 181 | E | 39.6 | Very low | 41.7 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -74.3 | 123.1 | 166.5 | -174.9 | 177.6 | 143.2 | 0 | 0 | 109.2 | ||||
| 182 | L | 49.2 | Very low | 41.2 | Very low | 160 Ų | 160 | 153.3 Ų | 153.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -129.1 | 118.7 | 165.1 | -73.4 | 176.2 | 0 | 0 | 0 | 109.4 | V180 | V180-L182 HydrophobicContact CG1-CD1 4.36Å; V180-L182 HydrophobicContact CG1-CG 4.06Å | ||
| 183 | Q | 42.5 | Very low | 41.2 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 162.7 | -175.7 | -69.8 | -159.7 | -30.9 | 0 | 0 | 113.4 | ||
| 184 | P | 35.8 | Very low | 41.3 | Very low | 123 Ų | 123 | 156.5 Ų | 156.5 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -92.4 | 130.3 | -173.5 | 34.8 | -28.8 | 0 | 0 | 0 | 112.6 | ||
| 185 | D | 40.6 | Very low | 41.2 | Very low | 174 Ų | 174 | 160.6 Ų | 160.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 128.7 | 169.7 | -83.1 | -41.7 | 0 | 0 | 0 | 112 | ||
| 186 | N | 42.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 157 Ų | 157 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -83 | 158 | -179 | -167.1 | 47.2 | 0 | 0 | 0 | 111.6 | ||
| 187 | P | 40 | Very low | 41.1 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 64% | 0.643 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 160.1 | -158.8 | 39.8 | -32.5 | 0 | 0 | 0 | 113.8 | ||
| 188 | T | 40.1 | Very low | 41.2 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | -162 | 119.7 | 159.2 | -48.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 189 | R | 40 | Very low | 41.3 | Very low | 236 Ų | 236 | 157.5 Ų | 157.5 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | 170 | 139.7 | 117.2 | -94.9 | -171 | 84.1 | 106.5 | -3 | 112.1 | |||||
| 190 | E | 37.6 | Very low | 42 | Very low | 189 Ų | 189 | 156.7 Ų | 156.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -80.3 | 144 | -170.2 | -46 | -170.9 | 144.4 | 0 | 0 | 110.4 | ||||
| 191 | G | 41.4 | Very low | 41.9 | Very low | 65 Ų | 65 | 155.9 Ų | 155.9 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | trans | -145.7 | 94.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108 | F193 | G191-F193 PolarHBondContact O-N 3.31Š| ||
| 192 | E | 37.6 | Very low | 42.1 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -58.4 | 124.3 | 169.1 | -61.9 | 162.7 | 126.2 | 0 | 0 | 109 | ||||
| 193 | F | 41.9 | Very low | 41.9 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 90% | 0.899 | 81% | 0.806 | S | S | * | * | trans | -136.1 | 124.2 | 155.8 | -78.5 | -78.6 | 0 | 0 | 0 | 109.1 | G191 | G191-F193 PolarHBondContact O-N 3.31Š| ||
| 194 | E | 44.5 | Very low | 42.3 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | trans | -59.9 | 146.2 | -174.4 | -67.1 | -179.2 | 125.5 | 0 | 0 | 112.9 | V196 | E194-V196 PolarHBondContact O-N 2.94Š| ||
| 195 | E | 38.4 | Very low | 42.8 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -65.7 | 112.7 | 167.5 | -164.3 | 167.6 | -153.9 | 0 | 0 | 108.5 | ||||
| 196 | V | 45.1 | Very low | 43.4 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | trans | -108.6 | 104.1 | 172.5 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | E194 F198 | E194-V196 PolarHBondContact O-N 2.94Å; V196-F198 HydrophobicContact CG1-CD2 4.01Å | ||
| 197 | D | 38.4 | Very low | 43.6 | Very low | 140 Ų | 140 | 152.1 Ų | 152.1 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | trans | -66.9 | 130.4 | 164.8 | -65.6 | -42.5 | 0 | 0 | 0 | 109.8 | ||||
| 198 | F | 41.3 | Very low | 44 | Very low | 180 Ų | 180 | 152 Ų | 152 | 79% | 0.789 | 80% | 0.802 | S | S | * | * | trans | -131.9 | 69.2 | 170.8 | -126 | -91.2 | 0 | 0 | 0 | 110.4 | V196 N200 | V196-F198 HydrophobicContact CG1-CD2 4.01Å; F198-N200 PolarHBondContact O-N 3.48Å | ||
| 199 | E | 48.9 | Very low | 44.2 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -78.3 | 100.2 | 149.6 | -77.8 | -173.2 | 131.9 | 0 | 0 | 108 | ||||
| 200 | N | 48.4 | Very low | 44.6 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | 156.2 | 115.5 | 143.8 | -90.5 | -16.5 | 0 | 0 | 0 | 110.5 | F198 | F198-N200 PolarHBondContact O-N 3.48Š| ||
| 201 | S | 46.3 | Very low | 45.7 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | 150 | 92.8 | 121.4 | 56.8 | 0 | 0 | 0 | 0 | 110 | |||||
| 202 | V | 43 | Very low | 46.5 | Very low | 154 Ų | 154 | 148.2 Ų | 148.2 | 93% | 0.933 | 80% | 0.797 | S | S | * | * | trans | -123.9 | 108.1 | 149.1 | 179.5 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 203 | A | 46.2 | Very low | 48 | Very low | 86 Ų | 86 | 143.5 Ų | 143.5 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -133.9 | 138.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 204 | M | 49.1 | Very low | 48.9 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | 81.9 | 139.8 | 165.7 | -41.9 | -147.9 | 77.1 | 0 | 0 | 116 | ||||
| 205 | D | 46.9 | Very low | 50.2 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | cis | -178.6 | 160.8 | -33.1 | -115 | -41.2 | 0 | 0 | 0 | 103.3 | ||||
| 206 | E | 52.6 | Low | 51.9 | Low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 79.5 | 107.3 | 156.7 | -64 | -125.5 | 92.9 | 0 | 0 | 121 | ||||
| 207 | L | 48.1 | Very low | 53.2 | Low | 148 Ų | 148 | 127.6 Ų | 127.6 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | 83.9 | 87.1 | 122 | -151.2 | 81.2 | 0 | 0 | 0 | 118.9 | |||||
| 208 | A | 48.9 | Very low | 55 | Low | 97 Ų | 97 | 125 Ų | 125 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -144.7 | 106.8 | 142.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S210 | A208-S210 PolarHBondContact O-N 3.19Š| ||
| 209 | T | 42.8 | Very low | 56.5 | Low | 137 Ų | 137 | 122.4 Ų | 122.4 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | trans | -67.2 | 106.1 | 169.4 | -44.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 210 | S | 49.5 | Very low | 58 | Low | 101 Ų | 101 | 120.3 Ų | 120.3 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | trans | -139.5 | 111.1 | 165.8 | 178 | 0 | 0 | 0 | 0 | 108.2 | A208 E212 | A208-S210 PolarHBondContact O-N 3.19Å; S210-E212 PolarHBondContact O-N 2.94Å | ||
| 211 | T | 61 | Low | 59.3 | Low | 131 Ų | 131 | 117 Ų | 117 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | trans | -62.5 | 97.6 | 173.7 | -48.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 212 | E | 58.3 | Low | 60.8 | Low | 175 Ų | 175 | 116.7 Ų | 116.7 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 127.9 | 166.1 | -85.3 | -149.2 | 125.6 | 0 | 0 | 109.2 | S210 | S210-E212 PolarHBondContact O-N 2.94Š|
| 213 | P | 68.2 | Low | 62.5 | Low | 88 Ų | 88 | 114.2 Ų | 114.2 | 57% | 0.571 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 141.2 | 174.4 | 27.7 | -30.1 | 0 | 0 | 0 | 110.9 | I218 | P213-I218 HydrophobicContact CG-CD1 4.26Š|
| 214 | D | 60.9 | Low | 64 | Low | 113 Ų | 113 | 113 Ų | 113 | 60% | 0.604 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 122.9 | -175.8 | -145.3 | -17.3 | 0 | 0 | 0 | 111.4 | P216 A217 | D214-P216 VanDerWaalsContact C-N 3.33Å; D214-P216 HydrophobicContact CB-CG 4.48Å; D214-P216 VanDerWaalsContact O-N 3.15Å; D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 2.91Å |
| 215 | P | 71.5 | Confident | 65.3 | Low | 95 Ų | 95 | 112 Ų | 112 | 62% | 0.617 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -48.8 | -38.2 | -178.1 | -25.1 | 31.1 | 0 | 0 | 0 | 116.3 | A217 I218 F219 | P215-A217 VanDerWaalsContact C-N 3.3Å; P215-A217 PolarHBondContact O-N 3.43Å; P215-I218 PolarHBondContact O-N 3.31Å; P215-F219 PolarHBondContact O-N 3.15Å |
| 216 | P | 75.6 | Confident | 66.5 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.8 | -27.1 | 177.6 | 24.2 | -32.6 | 0 | 0 | 0 | 113.5 | D214 F219 Q220 | D214-P216 VanDerWaalsContact C-N 3.33Å; D214-P216 HydrophobicContact CB-CG 4.48Å; D214-P216 VanDerWaalsContact O-N 3.15Å; D214-P216 WeakPolarHBondContact OD1-CD 3.31Å; P216-F219 PolarHBondContact O-N 2.9Å; P216-Q220 PolarHBondContact O-N 3.14Å; P216-Q220 VanDerWaalsContact O-N 3.09Å |
| 217 | A | 71.8 | Confident | 67.7 | Low | 60 Ų | 60 | 109.3 Ų | 109.3 | 50% | 0.496 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.6 | -39.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D214 P215 F219 Q220 S221 | D214-A217 WeakPolarHBondContact O-CB 3.43Å; D214-A217 PolarHBondContact O-N 2.91Å; P215-A217 VanDerWaalsContact C-N 3.3Å; P215-A217 PolarHBondContact O-N 3.43Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.28Å; A217-Q220 PolarHBondContact O-N 2.8Å; A217-S221 PolarHBondContact O-N 3.26Å |
| 218 | I | 76.3 | Confident | 68.8 | Low | 86 Ų | 86 | 111.3 Ų | 111.3 | 44% | 0.441 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -59.7 | -41.9 | 174.1 | -55.8 | 178.2 | 0 | 0 | 0 | 109.8 | P213 P215 S221 M222 | P213-I218 HydrophobicContact CG-CD1 4.26Å; P215-I218 PolarHBondContact O-N 3.31Å; I218-S221 PolarHBondContact O-N 2.94Å; I218-M222 HydrophobicContact CG2-CE 4.26Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 2.9Å |
| 219 | F | 73 | Confident | 69.1 | Low | 125 Ų | 125 | 113.7 Ų | 113.7 | 55% | 0.548 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.8 | -39.4 | -179.5 | -154 | -95.6 | 0 | 0 | 0 | 113.1 | P215 P216 A217 M222 L223 | P215-F219 PolarHBondContact O-N 3.15Å; P216-F219 PolarHBondContact O-N 2.9Å; A217-F219 VanDerWaalsContact C-N 3.26Å; A217-F219 PolarHBondContact O-N 3.28Å; F219-M222 HydrophobicContact CD2-CE 3.81Å; F219-M222 HydrophobicContact CE2-CE 4.41Å; F219-M222 HydrophobicContact CG-CE 4.48Å; F219-M222 PolarHBondContact O-N 3.35Å; F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.93Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 WeakPolarHBondContact O-CG 3.47Å; F219-L223 PolarHBondContact O-N 3.43Å; F219-L223 VanDerWaalsContact O-N 3.1Å |
| 220 | Q | 80 | Confident | 70.4 | Confident | 144 Ų | 144 | 112.5 Ų | 112.5 | 67% | 0.673 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68 | -36.4 | 175.5 | -71.9 | -170.5 | 17.4 | 0 | 0 | 112.2 | P216 A217 L223 A224 | P216-Q220 PolarHBondContact O-N 3.14Å; P216-Q220 VanDerWaalsContact O-N 3.09Å; A217-Q220 PolarHBondContact O-N 2.8Å; Q220-L223 PolarHBondContact O-N 3.4Å; Q220-A224 PolarHBondContact O-N 3.13Å |
| 221 | S | 76.1 | Confident | 71.5 | Confident | 67 Ų | 67 | 113.1 Ų | 113.1 | 47% | 0.469 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.1 | -42.2 | 175.8 | -145.4 | 0 | 0 | 0 | 0 | 111.6 | A217 I218 L223 A224 E225 | A217-S221 PolarHBondContact O-N 3.26Å; I218-S221 PolarHBondContact O-N 2.94Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3.11Å; S221-A224 PolarHBondContact O-N 3.05Å; S221-E225 PolarHBondContact O-N 3.41Å; S221-E225 VanDerWaalsContact O-N 3.07Å |
| 222 | M | 76.5 | Confident | 72.1 | Confident | 103 Ų | 103 | 112.1 Ų | 112.1 | 51% | 0.507 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64 | -32.6 | 174.7 | -70.5 | -170.4 | -62 | 0 | 0 | 113 | I218 F219 A226 | I218-M222 HydrophobicContact CG2-CE 4.26Å; I218-M222 WeakPolarHBondContact O-CG 3.42Å; I218-M222 PolarHBondContact O-N 2.9Å; F219-M222 HydrophobicContact CD2-CE 3.81Å; F219-M222 HydrophobicContact CE2-CE 4.41Å; F219-M222 HydrophobicContact CG-CE 4.48Å; F219-M222 PolarHBondContact O-N 3.35Å; M222-A226 PolarHBondContact O-N 2.83Å |
| 223 | L | 78.4 | Confident | 72.9 | Confident | 102 Ų | 102 | 108.4 Ų | 108.4 | 53% | 0.534 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -73 | -38.3 | 175.1 | -74.7 | 175 | 0 | 0 | 0 | 112.3 | F219 Q220 S221 A226 | F219-L223 HydrophobicContact CD1-CD1 3.93Å; F219-L223 HydrophobicContact CD1-CG 4.34Å; F219-L223 HydrophobicContact CE1-CD1 3.93Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 WeakPolarHBondContact O-CG 3.47Å; F219-L223 PolarHBondContact O-N 3.43Å; F219-L223 VanDerWaalsContact O-N 3.1Å; Q220-L223 PolarHBondContact O-N 3.4Å; S221-L223 VanDerWaalsContact C-N 3.3Å; S221-L223 PolarHBondContact O-N 3.11Å; L223-A226 PolarHBondContact O-N 3.25Å |
| 224 | A | 77.9 | Confident | 73.2 | Confident | 59 Ų | 59 | 109.7 Ų | 109.7 | 49% | 0.488 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.4 | -39.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q220 S221 A226 E227 | Q220-A224 PolarHBondContact O-N 3.13Å; S221-A224 PolarHBondContact O-N 3.05Å; A224-A226 PolarHBondContact O-N 3.18Å; A224-E227 PolarHBondContact O-N 3.38Å |
| 225 | E | 76.9 | Confident | 74 | Confident | 147 Ų | 147 | 109.5 Ų | 109.5 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.4 | -23.4 | 176.2 | -73.2 | -178.9 | 177 | 0 | 0 | 113.3 | S221 | S221-E225 PolarHBondContact O-N 3.41Å; S221-E225 VanDerWaalsContact O-N 3.07Å |
| 226 | A | 73.2 | Confident | 74.2 | Confident | 68 Ų | 68 | 110.5 Ų | 110.5 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -83.1 | -15.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | M222 L223 A224 | M222-A226 PolarHBondContact O-N 2.83Å; L223-A226 PolarHBondContact O-N 3.25Å; A224-A226 PolarHBondContact O-N 3.18Å |
| 227 | E | 77.5 | Confident | 74.1 | Confident | 175 Ų | 175 | 113.2 Ų | 113.2 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -91.7 | -14.1 | 177.7 | -73.3 | -170.1 | 154.9 | 0 | 0 | 113.6 | A224 | A224-E227 PolarHBondContact O-N 3.38Å |
| 228 | E | 70.3 | Confident | 74.3 | Confident | 190 Ų | 190 | 117.7 Ų | 117.7 | 89% | 0.888 | 65% | 0.652 | S | S | * | * | trans | -94.5 | 3.5 | 177.7 | -70.3 | -160.2 | 158.4 | 0 | 0 | 114.8 | ||||
| 229 | A | 55.2 | Low | 74.1 | Confident | 146 Ų | 146 | 120.5 Ų | 120.5 | 100% | 1.207 | 67% | 0.671 | S | S | * | * | trans | -111.2 | 0 | 178 | 0 | 0 | 0 | 0 | 0 | 113 |
Retrieved 229 of 229 residues in 160.4 ms
(Link to these results)