| 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 | 30.7 | Very low | 48 | Very low | 242 Ų | 242 | 110.2 Ų | 110.2 | 100% | 1.192 | 57% | 0.565 | S | S | * | * | 0 | 103.1 | 0 | -79.8 | -175.2 | -137.1 | 0 | 0 | 107.3 | |||||
| 2 | I | 26.4 | Very low | 50.7 | Low | 154 Ų | 154 | 102.3 Ų | 102.3 | 79% | 0.79 | 53% | 0.528 | S | S | * | . | trans | -65.8 | 126.4 | 169.6 | -59.2 | 166 | 0 | 0 | 0 | 105.5 | Y4 | I2-Y4 PolarHBondContact O-N 2.93Š| ||
| 3 | P | 31.3 | Very low | 53.3 | Low | 100 Ų | 100 | 96.2 Ų | 96.2 | 65% | 0.649 | 50% | 0.495 | S | S | * | . | trans | -62.9 | 113.6 | 174.7 | 25.4 | -29.5 | 0 | 0 | 0 | 107.2 | T5 | P3-T5 PolarHBondContact O-N 3.39Š| ||
| 4 | Y | 35.3 | Very low | 55.8 | Low | 209 Ų | 209 | 89.8 Ų | 89.8 | 82% | 0.82 | 46% | 0.462 | S | S | * | . | trans | -64.3 | 87.3 | 166.4 | -86.1 | -91 | 0 | 0 | 0 | 107.6 | I2 V6 | I2-Y4 PolarHBondContact O-N 2.93Å; Y4-V6 VanDerWaalsContact C-N 3.26Å; Y4-V6 PolarHBondContact O-N 3.42Å; Y4-V6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | T | 34.1 | Very low | 57.9 | Low | 110 Ų | 110 | 84.7 Ų | 84.7 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | trans | -75.8 | 85.9 | 163.3 | 46.1 | 0 | 0 | 0 | 0 | 106.9 | P3 N7 | P3-T5 PolarHBondContact O-N 3.39Å; T5-N7 PolarHBondContact O-N 3.23Å | ||
| 6 | V | 43.8 | Very low | 59.6 | Low | 64 Ų | 64 | 80.6 Ų | 80.6 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | trans | -70.2 | 92.1 | 163.8 | -169.7 | 0 | 0 | 0 | 0 | 105.8 | Y4 I8 I484 | Y4-V6 VanDerWaalsContact C-N 3.26Å; Y4-V6 PolarHBondContact O-N 3.42Å; Y4-V6 VanDerWaalsContact O-N 3.08Å; V6-I8 HydrophobicContact CB-CG1 4.47Å; V6-I8 HydrophobicContact CG1-CD1 4.02Å; V6-I8 HydrophobicContact CG1-CG1 3.62Å; V6-I8 PolarHBondContact O-N 3.37Å; V6-I484 HydrophobicContact CB-CD1 4.46Å; V6-I484 HydrophobicContact CB-CG1 4.07Å; V6-I484 HydrophobicContact CG2-CD1 4.49Å; V6-I484 HydrophobicContact CG2-CG1 3.96Å | ||
| 7 | N | 47.6 | Very low | 61 | Low | 129 Ų | 129 | 75.9 Ų | 75.9 | 69% | 0.69 | 39% | 0.392 | S | S | * | . | trans | -72.1 | 80.2 | 175.1 | -101.4 | -14.4 | 0 | 0 | 0 | 108.7 | T5 K9 | T5-N7 PolarHBondContact O-N 3.23Å; N7-K9 PolarHBondContact O-N 3.18Å | ||
| 8 | I | 61.6 | Low | 62.4 | Low | 49 Ų | 49 | 72.6 Ų | 72.6 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | trans | -78.3 | 78.2 | 168.9 | -51.7 | -179 | 0 | 0 | 0 | 106.9 | V6 L10 Y487 P489 | V6-I8 HydrophobicContact CB-CG1 4.47Å; V6-I8 HydrophobicContact CG1-CD1 4.02Å; V6-I8 HydrophobicContact CG1-CG1 3.62Å; V6-I8 PolarHBondContact O-N 3.37Å; I8-L10 PolarHBondContact O-N 3.38Å; I8-Y487 HydrophobicContact CD1-CD1 3.52Å; I8-Y487 HydrophobicContact CD1-CE1 4.19Å; I8-P489 HydrophobicContact CG2-CG 4.07Å | ||
| 9 | K | 65.7 | Low | 63.8 | Low | 126 Ų | 126 | 69.3 Ų | 69.3 | 55% | 0.548 | 36% | 0.359 | S | S | . | . | trans | -72.3 | 114.2 | 171.1 | -75.6 | 179.4 | -178.3 | 176.7 | 0 | 108.1 | N7 D838 | N7-K9 PolarHBondContact O-N 3.18Å; K9-D838 WeakPolarHBondContact CD-OD2 3.46Å; K9-D838 IonicContact NZ-OD1 2.71Å; K9-D838 IonicContact NZ-OD2 3.76Å; K9-D838 PolarHBondContact NZ-OD2 3.31Å | ||
| 10 | L | 75.4 | Confident | 65.1 | Low | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -101 | 120.9 | 170 | -169.9 | 84.1 | 0 | 0 | 0 | 108.3 | I8 P489 L505 C806 T807 K810 V822 | I8-L10 PolarHBondContact O-N 3.38Å; L10-P489 HydrophobicContact CD1-CB 4.33Å; L10-P489 HydrophobicContact CD1-CG 4.25Å; L10-L505 VanDerWaalsContact CD1-C 3.43Å; L10-L505 HydrophobicContact CD1-CB 3.59Å; L10-L505 WeakPolarHBondContact CD1-O 3.44Å; L10-C806 HydrophobicContact CD2-CB 3.84Å; L10-C806 WeakPolarHBondContact CD2-SG 3.17Å; L10-T807 HydrophobicContact CB-CG2 4.36Å; L10-T807 HydrophobicContact CD2-CG2 4.02Å; L10-K810 HydrophobicContact CB-CD 4.46Å; L10-K810 HydrophobicContact CD2-CD 4.05Å; L10-K810 HydrophobicContact CG-CD 4.47Å; L10-K810 WeakPolarHBondContact O-CD 3.5Å; L10-K810 WeakPolarHBondContact O-CE 3.48Å; L10-K810 PolarHBondContact O-NZ 3.15Å; L10-V822 HydrophobicContact CD2-CG1 3.91Å |
| 11 | A | 75.9 | Confident | 66.3 | Low | 20 Ų | 20 | 69.6 Ų | 69.6 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -92 | 154.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q837 | A11-Q837 HydrophobicContact CB-CB 4.46Å; A11-Q837 HydrophobicContact CB-CG 3.74Å |
| 12 | A | 80.9 | Confident | 69.1 | Low | 15 Ų | 15 | 62.5 Ų | 62.5 | 12% | 0.124 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | V822 Y832 | A12-V822 CarbonylContact C-O 3.59Å; A12-V822 WeakPolarHBondContact CA-O 3.47Å; A12-V822 WeakPolarHBondContact CB-O 3.21Å; A12-Y832 WeakPolarHBondContact O-CE1 3.46Å |
| 13 | R | 84.4 | Confident | 72.2 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | 160.2 | -178.3 | 63.1 | -177.7 | 65.1 | -159.3 | 5.3 | 111.9 | L505 T506 S507 V822 | R13-L505 WeakPolarHBondContact CD-O 3.46Å; R13-L505 PolarHBondContact NE-O 3.48Å; R13-L505 VanDerWaalsContact NE-O 3.14Å; R13-T506 VanDerWaalsContact CZ-O 3.23Å; R13-T506 PolarHBondContact NH1-O 3.05Å; R13-T506 VanDerWaalsContact NH1-O 3.08Å; R13-T506 PolarHBondContact NH2-O 3.12Å; R13-S507 PolarHBondContact NH1-O 2.71Å; R13-S507 VanDerWaalsContact NH1-O 3.16Å; R13-V822 HydrophobicContact CG-CB 4.12Å; R13-V822 HydrophobicContact CG-CG2 4.1Å; R13-V822 PolarHBondContact N-O 3.39Å; R13-V822 PolarHBondContact O-N 2.99Å |
| 14 | T | 87.6 | Confident | 75.1 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.2 | 172.9 | -60.3 | 0 | 0 | 0 | 0 | 109.8 | T16 E58 C819 R821 A830 | T14-T16 HydrophobicContact CG2-CG2 3.91Å; T14-E58 PolarHBondContact OG1-OE1 2.69Å; T14-C819 HydrophobicContact CG2-CB 3.97Å; T14-R821 HydrophobicContact CG2-CG 3.82Å; T14-A830 WeakPolarHBondContact OG1-CB 3.36Å |
| 15 | L | 87.6 | Confident | 77.7 | Confident | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.2 | 165 | -54.8 | 179.3 | 0 | 0 | 0 | 107.5 | L466 Y503 L505 G508 C819 V820 | L15-L466 HydrophobicContact CB-CD1 3.99Å; L15-Y503 HydrophobicContact CD1-CD1 3.92Å; L15-Y503 HydrophobicContact CD1-CD2 4.35Å; L15-Y503 HydrophobicContact CD1-CE1 4.49Å; L15-Y503 HydrophobicContact CD1-CG 3.84Å; L15-L505 HydrophobicContact CD1-CD2 3.79Å; L15-G508 WeakPolarHBondContact CD2-O 3.48Å; L15-C819 CarbonylContact O-C 3.6Å; L15-C819 VanDerWaalsContact O-CA 3.27Å; L15-C819 WeakPolarHBondContact O-CA 3.44Å; L15-V820 HydrophobicContact CB-CB 4.25Å; L15-V820 HydrophobicContact CD1-CB 4.46Å; L15-V820 HydrophobicContact CD1-CG1 4.46Å; L15-V820 PolarHBondContact N-O 2.84Å; L15-V820 PolarHBondContact O-N 2.64Å |
| 16 | T | 84.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | trans | -92.4 | 155.5 | -175.6 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | T14 C39 L44 G465 L466 | T14-T16 HydrophobicContact CG2-CG2 3.91Å; T16-C39 HydrophobicContact CG2-CB 4.15Å; T16-L44 HydrophobicContact CG2-CD1 3.61Å; T16-L44 HydrophobicContact CG2-CD2 3.64Å; T16-L44 HydrophobicContact CG2-CG 3.9Å; T16-L44 WeakPolarHBondContact OG1-CD2 3.44Å; T16-G465 WeakPolarHBondContact O-CA 3.36Å; T16-L466 PolarHBondContact O-N 3.38Å | ||
| 17 | G | 83.6 | Confident | 83 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -116 | -151.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G382 L466 G818 | G17-G382 WeakPolarHBondContact O-CA 3.47Å; G17-L466 CarbonylContact C-O 3.59Å; G17-L466 WeakPolarHBondContact CA-O 3.37Å; G17-G818 WeakPolarHBondContact CA-O 3.3Å; G17-G818 PolarHBondContact N-O 2.9Å |
| 18 | T | 86.8 | Confident | 85.3 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 10% | 0.104 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -50.3 | 137.3 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | H40 S380 L466 L468 | T18-H40 PolarHBondContact O-NE2 3.14Å; T18-H40 VanDerWaalsContact O-NE2 3.1Å; T18-S380 WeakPolarHBondContact CG2-O 3.31Å; T18-L466 PolarHBondContact N-O 2.98Å; T18-L466 PolarHBondContact OG1-O 3.35Å; T18-L468 HydrophobicContact CG2-CD1 4.45Å; T18-L468 HydrophobicContact CG2-CD2 3.68Å; T18-L468 HydrophobicContact CG2-CG 3.89Å; T18-L468 PolarHBondContact OG1-N 3.34Å |
| 19 | L | 88.9 | Confident | 86.9 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 141.5 | -174.6 | -56 | 177.1 | 0 | 0 | 0 | 112 | C39 Y363 V379 S380 | L19-C39 HydrophobicContact CD2-CB 3.77Å; L19-Y363 HydrophobicContact CB-CD2 4.17Å; L19-Y363 HydrophobicContact CB-CE2 3.66Å; L19-Y363 HydrophobicContact CD1-CD2 3.96Å; L19-Y363 HydrophobicContact CD1-CE2 4.29Å; L19-Y363 PolarHBondContact O-OH 3.43Å; L19-V379 WeakPolarHBondContact CD1-O 3.35Å; L19-S380 PolarHBondContact N-O 3.36Å |
| 20 | N | 89.9 | Confident | 88.2 | Confident | 49 Ų | 49 | 27.2 Ų | 27.2 | 26% | 0.262 | 14% | 0.144 | S | C | . | . | P | Polyproline II helix | trans | -65.3 | 146.5 | 170 | -161.8 | -64 | 0 | 0 | 0 | 110.3 | Q22 N23 N63 | N20-Q22 PolarHBondContact O-N 3.08Å; N20-Q22 PolarHBondContact OD1-N 3.12Å; N20-N23 WeakPolarHBondContact CB-OD1 3.19Å; N20-N23 PolarHBondContact N-OD1 2.93Å; N20-N23 VanDerWaalsContact N-OD1 3.15Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.33Å; N20-N63 PolarHBondContact ND2-ND2 3.38Å |
| 21 | L | 89.4 | Confident | 88.9 | Confident | 95 Ų | 95 | 28.6 Ų | 28.6 | 50% | 0.497 | 15% | 0.149 | S | C | . | . | G | 310 helix | trans | -57.1 | -32.7 | 174.8 | 175 | 62.5 | 0 | 0 | 0 | 112.2 | N23 K24 R361 | L21-N23 PolarHBondContact O-N 3.28Å; L21-K24 VanDerWaalsContact O-CB 3.28Å; L21-K24 WeakPolarHBondContact O-CB 3.2Å; L21-K24 PolarHBondContact O-N 3.08Å; L21-R361 VanDerWaalsContact CD1-NH2 3.34Å |
| 22 | Q | 91.1 | Very high | 89.5 | Confident | 94 Ų | 94 | 28.1 Ų | 28.1 | 44% | 0.439 | 14% | 0.143 | S | C | . | . | G | 310 helix | trans | -66.7 | -21.1 | 177 | -69 | -178.8 | -25.1 | 0 | 0 | 113.2 | N20 K24 N63 | N20-Q22 PolarHBondContact O-N 3.08Å; N20-Q22 PolarHBondContact OD1-N 3.12Å; Q22-K24 PolarHBondContact O-N 2.8Å; Q22-N63 HydrophobicContact CB-CB 4.14Å; Q22-N63 PolarHBondContact OE1-ND2 3.28Å |
| 23 | N | 91.2 | Very high | 90 | Very high | 6 Ų | 6 | 28.6 Ų | 28.6 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -79.2 | -0.7 | 175.8 | -55.7 | 126.2 | 0 | 0 | 0 | 113.2 | N20 L21 T25 A26 G38 H40 V64 | N20-N23 WeakPolarHBondContact CB-OD1 3.19Å; N20-N23 PolarHBondContact N-OD1 2.93Å; N20-N23 VanDerWaalsContact N-OD1 3.15Å; N20-N23 WeakPolarHBondContact O-CB 3.4Å; N20-N23 PolarHBondContact O-N 3.33Å; L21-N23 PolarHBondContact O-N 3.28Å; N23-T25 PolarHBondContact O-N 3.25Å; N23-A26 HydrophobicContact CB-CB 4.37Å; N23-A26 WeakPolarHBondContact O-CB 3.26Å; N23-A26 PolarHBondContact O-N 3.5Å; N23-G38 WeakPolarHBondContact CB-O 3.24Å; N23-H40 PolarHBondContact ND2-O 3.5Å; N23-H40 WeakPolarHBondContact OD1-CA 3.39Å; N23-H40 PolarHBondContact OD1-N 3.35Å; N23-V64 PolarHBondContact ND2-O 3.27Å |
| 24 | K | 90.8 | Very high | 90.5 | Very high | 86 Ų | 86 | 27.5 Ų | 27.5 | 37% | 0.374 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -49.6 | -34.8 | -173 | -178.6 | -178.1 | 177.8 | -173 | 0 | 113.6 | L21 Q22 Y363 R364 | L21-K24 VanDerWaalsContact O-CB 3.28Å; L21-K24 WeakPolarHBondContact O-CB 3.2Å; L21-K24 PolarHBondContact O-N 3.08Å; Q22-K24 PolarHBondContact O-N 2.8Å; K24-Y363 HydrophobicContact CB-CD2 4.45Å; K24-Y363 HydrophobicContact CB-CG 4.31Å; K24-Y363 HydrophobicContact CG-CD1 4.21Å; K24-Y363 HydrophobicContact CG-CG 4.15Å; K24-R364 WeakPolarHBondContact O-CB 3.25Å |
| 25 | T | 89.9 | Confident | 90.9 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 28% | 0.276 | 14% | 0.144 | S | C | . | . | G | 310 helix | trans | -105.3 | 3.2 | -178.8 | 52.8 | 0 | 0 | 0 | 0 | 114.3 | N23 V27 V65 K66 | N23-T25 PolarHBondContact O-N 3.25Å; T25-V27 VanDerWaalsContact C-N 3.27Å; T25-V27 PolarHBondContact O-N 3.27Å; T25-V65 CarbonylContact C-O 3.38Å; T25-V65 PolarHBondContact OG1-O 3.46Å; T25-K66 WeakPolarHBondContact OG1-CE 3.47Å |
| 26 | A | 94.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | trans | -86.6 | 59.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | N23 Q37 G38 V64 V65 V67 | N23-A26 HydrophobicContact CB-CB 4.37Å; N23-A26 WeakPolarHBondContact O-CB 3.26Å; N23-A26 PolarHBondContact O-N 3.5Å; A26-Q37 CarbonylContact O-C 3.55Å; A26-Q37 WeakPolarHBondContact O-CA 3.49Å; A26-G38 PolarHBondContact O-N 3.47Å; A26-V64 HydrophobicContact CB-CG1 4.14Å; A26-V65 PolarHBondContact N-O 2.97Å; A26-V67 HydrophobicContact CB-CG2 4.16Å | ||
| 27 | V | 95.7 | Very high | 91.7 | Very high | 13 Ų | 13 | 26 Ų | 26 | 8% | 0.079 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 140.4 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 111 | T25 I35 A36 R364 V366 M378 | T25-V27 VanDerWaalsContact C-N 3.27Å; T25-V27 PolarHBondContact O-N 3.27Å; V27-I35 HydrophobicContact CG2-CG2 4.1Å; V27-A36 VanDerWaalsContact CA-O 3.26Å; V27-A36 WeakPolarHBondContact CA-O 3.47Å; V27-A36 WeakPolarHBondContact CG2-O 3.44Å; V27-R364 HydrophobicContact CG1-CB 3.61Å; V27-R364 HydrophobicContact CG1-CG 3.55Å; V27-V366 HydrophobicContact CB-CG1 4.38Å; V27-V366 HydrophobicContact CG1-CG1 3.82Å; V27-V366 HydrophobicContact CG2-CG1 3.89Å; V27-V366 HydrophobicContact CG2-CG2 4.1Å; V27-M378 HydrophobicContact CB-CG 4.16Å; V27-M378 HydrophobicContact CG1-CG 4.14Å; V27-M378 HydrophobicContact CG2-CE 4.08Å; V27-M378 HydrophobicContact CG2-CG 3.81Å; V27-M378 HydrophobicContact CG2-SD 4.09Å |
| 28 | D | 96.3 | Very high | 92.2 | Very high | 31 Ų | 31 | 26 Ų | 26 | 17% | 0.166 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 147.6 | 176.4 | -163.6 | 36.3 | 0 | 0 | 0 | 111.8 | A36 V67 K68 W69 | D28-A36 PolarHBondContact N-O 3.42Å; D28-A36 PolarHBondContact O-N 2.96Å; D28-V67 WeakPolarHBondContact CB-O 3.35Å; D28-K68 HydrophobicContact CB-CD 4.36Å; D28-K68 WeakPolarHBondContact OD2-CA 3.21Å; D28-W69 PolarHBondContact O-NE1 3.26Å; D28-W69 PolarHBondContact OD2-N 2.92Å |
| 29 | W | 95.6 | Very high | 92.3 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 6% | 0.057 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 111.9 | 175.6 | -163.7 | -23.8 | 0 | 0 | 0 | 108.8 | G33 I35 P48 V366 C368 K374 A376 | W29-G33 PolarHBondContact NE1-O 3.2Å; W29-I35 HydrophobicContact CB-CG1 4.35Å; W29-I35 HydrophobicContact CD2-CD1 3.99Å; W29-I35 HydrophobicContact CD2-CG1 3.68Å; W29-I35 HydrophobicContact CE3-CD1 3.9Å; W29-I35 HydrophobicContact CE3-CG1 4.09Å; W29-I35 HydrophobicContact CG-CG1 3.82Å; W29-I35 HydrophobicContact CH2-CD1 4.21Å; W29-I35 HydrophobicContact CZ2-CD1 4.33Å; W29-I35 HydrophobicContact CZ2-CG1 4.49Å; W29-I35 HydrophobicContact CZ3-CD1 4.01Å; W29-P48 HydrophobicContact CH2-CB 3.85Å; W29-P48 HydrophobicContact CH2-CG 4.13Å; W29-P48 HydrophobicContact CZ2-CB 3.62Å; W29-P48 HydrophobicContact CZ2-CG 3.36Å; W29-V366 HydrophobicContact CB-CB 4.11Å; W29-V366 HydrophobicContact CB-CG2 4.12Å; W29-V366 HydrophobicContact CE3-CG2 4.02Å; W29-C368 HydrophobicContact CD2-CB 4.13Å; W29-C368 HydrophobicContact CE3-CB 4.36Å; W29-C368 HydrophobicContact CH2-CB 4.12Å; W29-C368 HydrophobicContact CZ2-CB 3.8Å; W29-C368 HydrophobicContact CZ3-CB 4.37Å; W29-K374 HydrophobicContact CH2-CB 3.65Å; W29-K374 HydrophobicContact CZ2-CB 4.37Å; W29-K374 HydrophobicContact CZ3-CB 4.24Å; W29-A376 HydrophobicContact CE3-CB 4.27Å; W29-A376 HydrophobicContact CZ3-CB 3.92Å |
| 30 | G | 92.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | trans | -81.2 | 163.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q32 G33 L34 | G30-Q32 VanDerWaalsContact C-N 3.28Å; G30-Q32 PolarHBondContact O-N 2.86Å; G30-G33 PolarHBondContact O-N 3.43Å; G30-G33 VanDerWaalsContact O-N 3.1Å; G30-L34 PolarHBondContact N-O 3.37Å | ||
| 31 | W | 90.3 | Very high | 92.4 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 15% | 0.148 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -31.2 | 177.8 | -82.7 | 82.3 | 0 | 0 | 0 | 113.2 | G33 P369 V370 G923 E925 L928 | W31-G33 PolarHBondContact O-N 3.14Å; W31-P369 HydrophobicContact CD2-CB 4.36Å; W31-P369 HydrophobicContact CD2-CG 4.31Å; W31-P369 HydrophobicContact CG-CG 4.08Å; W31-P369 HydrophobicContact CZ2-CB 4.34Å; W31-V370 HydrophobicContact CD2-CG2 4.29Å; W31-V370 HydrophobicContact CE3-CG2 3.72Å; W31-V370 HydrophobicContact CZ3-CG2 4.26Å; W31-V370 VanDerWaalsContact O-CG2 3.29Å; W31-V370 WeakPolarHBondContact O-CG2 3.31Å; W31-G923 WeakPolarHBondContact CB-O 3.2Å; W31-G923 VanDerWaalsContact O-CA 3.3Å; W31-G923 WeakPolarHBondContact O-CA 3.29Å; W31-E925 HydrophobicContact CD2-CB 3.93Å; W31-E925 HydrophobicContact CD2-CG 4.45Å; W31-E925 HydrophobicContact CE3-CB 3.73Å; W31-E925 HydrophobicContact CE3-CG 4.39Å; W31-E925 HydrophobicContact CH2-CB 3.85Å; W31-E925 HydrophobicContact CH2-CG 3.57Å; W31-E925 HydrophobicContact CZ2-CB 3.99Å; W31-E925 VanDerWaalsContact CZ2-CD 3.46Å; W31-E925 HydrophobicContact CZ2-CG 3.6Å; W31-E925 HydrophobicContact CZ3-CB 3.7Å; W31-E925 HydrophobicContact CZ3-CG 3.98Å; W31-L928 HydrophobicContact CZ3-CD2 4.03Å |
| 32 | Q | 88.9 | Confident | 92.5 | Very high | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.047 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -8.9 | 172.1 | 71.7 | -84.4 | 22.5 | 0 | 0 | 114.7 | G30 L34 W69 L84 | G30-Q32 VanDerWaalsContact C-N 3.28Å; G30-Q32 PolarHBondContact O-N 2.86Å; Q32-L34 HydrophobicContact CG-CB 4.08Å; Q32-L34 HydrophobicContact CG-CD1 4.31Å; Q32-L34 HydrophobicContact CG-CG 3.99Å; Q32-W69 VanDerWaalsContact NE2-CZ3 3.26Å; Q32-L84 HydrophobicContact CB-CD2 3.84Å; Q32-L84 HydrophobicContact CG-CD2 3.53Å |
| 33 | G | 90.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 25% | 0.247 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 94.4 | 1.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116 | W29 G30 W31 P48 | W29-G33 PolarHBondContact NE1-O 3.2Å; G30-G33 PolarHBondContact O-N 3.43Å; G30-G33 VanDerWaalsContact O-N 3.1Å; W31-G33 PolarHBondContact O-N 3.14Å; G33-P48 WeakPolarHBondContact O-CD 3.21Å; G33-P48 WeakPolarHBondContact O-CG 3.29Å |
| 34 | L | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | trans | -97.1 | 150.6 | -179.3 | -57.8 | -177.8 | 0 | 0 | 0 | 112.7 | G30 Q32 I45 D47 I54 W69 L84 | G30-L34 PolarHBondContact N-O 3.37Å; Q32-L34 HydrophobicContact CG-CB 4.08Å; Q32-L34 HydrophobicContact CG-CD1 4.31Å; Q32-L34 HydrophobicContact CG-CG 3.99Å; L34-I45 HydrophobicContact CB-CG2 4.28Å; L34-I45 HydrophobicContact CD1-CG2 3.96Å; L34-D47 HydrophobicContact CD2-CB 4.46Å; L34-I54 HydrophobicContact CD1-CD1 4.16Å; L34-I54 HydrophobicContact CD2-CD1 3.38Å; L34-I54 HydrophobicContact CG-CD1 4.37Å; L34-W69 HydrophobicContact CB-CZ2 4.1Å; L34-W69 PolarHBondContact O-NE1 3.2Å; L34-L84 HydrophobicContact CD1-CD1 4.22Å | ||
| 35 | I | 95.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.9 | 174.8 | -60.3 | 173.7 | 0 | 0 | 0 | 109 | V27 W29 I45 M46 P48 A376 M378 L386 | V27-I35 HydrophobicContact CG2-CG2 4.1Å; W29-I35 HydrophobicContact CB-CG1 4.35Å; W29-I35 HydrophobicContact CD2-CD1 3.99Å; W29-I35 HydrophobicContact CD2-CG1 3.68Å; W29-I35 HydrophobicContact CE3-CD1 3.9Å; W29-I35 HydrophobicContact CE3-CG1 4.09Å; W29-I35 HydrophobicContact CG-CG1 3.82Å; W29-I35 HydrophobicContact CH2-CD1 4.21Å; W29-I35 HydrophobicContact CZ2-CD1 4.33Å; W29-I35 HydrophobicContact CZ2-CG1 4.49Å; W29-I35 HydrophobicContact CZ3-CD1 4.01Å; I35-I45 WeakPolarHBondContact O-CA 3.35Å; I35-M46 HydrophobicContact CB-CE 4.27Å; I35-M46 HydrophobicContact CG2-CE 3.73Å; I35-M46 PolarHBondContact N-O 3.09Å; I35-M46 PolarHBondContact O-N 2.86Å; I35-P48 HydrophobicContact CD1-CB 3.9Å; I35-P48 HydrophobicContact CD1-CG 4.32Å; I35-P48 HydrophobicContact CG1-CG 4.4Å; I35-A376 HydrophobicContact CD1-CB 3.56Å; I35-M378 HydrophobicContact CG2-CE 4.3Å; I35-L386 HydrophobicContact CD1-CD2 3.93Å |
| 36 | A | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V27 D28 I43 L44 I45 V67 W69 L86 | V27-A36 VanDerWaalsContact CA-O 3.26Å; V27-A36 WeakPolarHBondContact CA-O 3.47Å; V27-A36 WeakPolarHBondContact CG2-O 3.44Å; D28-A36 PolarHBondContact N-O 3.42Å; D28-A36 PolarHBondContact O-N 2.96Å; A36-I43 HydrophobicContact CB-CG2 4.36Å; A36-L44 CarbonylContact C-O 3.59Å; A36-L44 VanDerWaalsContact CA-O 3.29Å; A36-L44 WeakPolarHBondContact CA-O 3.44Å; A36-I45 HydrophobicContact CB-CD1 3.73Å; A36-V67 HydrophobicContact CB-CG1 3.61Å; A36-W69 HydrophobicContact CB-CZ2 3.74Å; A36-L86 HydrophobicContact CB-CD1 3.97Å; A36-L86 HydrophobicContact CB-CD2 3.95Å |
| 37 | Q | 94.6 | Very high | 92.8 | Very high | 5 Ų | 5 | 9.9 Ų | 9.9 | 2% | 0.023 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130 | -177.7 | -178.3 | -159.9 | -13.1 | 0 | 0 | 111 | A26 I43 L44 M46 M378 | A26-Q37 CarbonylContact O-C 3.55Å; A26-Q37 WeakPolarHBondContact O-CA 3.49Å; Q37-I43 CarbonylContact O-C 3.55Å; Q37-I43 WeakPolarHBondContact O-CA 3.42Å; Q37-L44 PolarHBondContact N-O 3.34Å; Q37-L44 PolarHBondContact O-N 3.34Å; Q37-M46 HydrophobicContact CB-CE 3.61Å; Q37-M46 HydrophobicContact CG-CE 4.47Å; Q37-M46 VanDerWaalsContact OE1-CE 3.27Å; Q37-M378 HydrophobicContact CG-SD 4.19Å |
| 38 | G | 93 | Very high | 92.5 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.01 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 130.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N23 A26 S42 | N23-G38 WeakPolarHBondContact CB-O 3.24Å; A26-G38 PolarHBondContact O-N 3.47Å; G38-S42 WeakPolarHBondContact CA-O 3.41Å |
| 39 | C | 89.9 | Confident | 92.1 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 109.7 | 169.1 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | T16 L19 S41 S42 L44 | T16-C39 HydrophobicContact CG2-CB 4.15Å; L19-C39 HydrophobicContact CD2-CB 3.77Å; C39-S41 PolarHBondContact O-N 2.83Å; C39-S41 VanDerWaalsContact O-N 3.17Å; C39-S42 PolarHBondContact N-O 3.01Å; C39-S42 PolarHBondContact O-N 3.26Å; C39-S42 VanDerWaalsContact O-O 3.14Å; C39-L44 HydrophobicContact CB-CD1 3.36Å |
| 40 | H | 90.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 15.4 Ų | 15.4 | 15% | 0.148 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | -120 | -169.8 | -68.9 | -93.7 | 0 | 0 | 0 | 110.6 | T18 N23 N63 V64 D817 | T18-H40 PolarHBondContact O-NE2 3.14Å; T18-H40 VanDerWaalsContact O-NE2 3.1Å; N23-H40 PolarHBondContact ND2-O 3.5Å; N23-H40 WeakPolarHBondContact OD1-CA 3.39Å; N23-H40 PolarHBondContact OD1-N 3.35Å; H40-N63 CarbonylContact O-C 3.53Å; H40-N63 VanDerWaalsContact O-CA 3.26Å; H40-N63 WeakPolarHBondContact O-CA 3.2Å; H40-V64 PolarHBondContact O-N 2.93Å; H40-D817 PolarHBondContact CD2-O 3.24Å; H40-D817 PolarHBondContact NE2-O 2.67Å; H40-D817 VanDerWaalsContact NE2-O 3.15Å |
| 41 | S | 90.7 | Very high | 91.4 | Very high | 18 Ų | 18 | 16.1 Ų | 16.1 | 13% | 0.126 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 6.3 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 114 | C39 H60 A62 | C39-S41 PolarHBondContact O-N 2.83Å; C39-S41 VanDerWaalsContact O-N 3.17Å; S41-H60 WeakPolarHBondContact CB-O 3.46Å; S41-H60 WeakPolarHBondContact O-CB 3.5Å; S41-A62 WeakPolarHBondContact CA-O 3.44Å; S41-A62 WeakPolarHBondContact CB-O 3.48Å |
| 42 | S | 90.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 159.6 | -178.1 | -44 | 0 | 0 | 0 | 0 | 110.1 | G38 C39 L57 | G38-S42 WeakPolarHBondContact CA-O 3.41Å; C39-S42 PolarHBondContact N-O 3.01Å; C39-S42 PolarHBondContact O-N 3.26Å; C39-S42 VanDerWaalsContact O-O 3.14Å; S42-L57 WeakPolarHBondContact CA-O 3.37Å |
| 43 | I | 93.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.7 | 176 | -53.5 | 162.3 | 0 | 0 | 0 | 108.3 | A36 Q37 I45 V56 L57 V64 V67 L86 S88 W98 | A36-I43 HydrophobicContact CB-CG2 4.36Å; Q37-I43 CarbonylContact O-C 3.55Å; Q37-I43 WeakPolarHBondContact O-CA 3.42Å; I43-I45 HydrophobicContact CG2-CD1 4.21Å; I43-V56 CarbonylContact O-C 3.51Å; I43-V56 VanDerWaalsContact O-CA 3.31Å; I43-V56 WeakPolarHBondContact O-CA 3.24Å; I43-L57 HydrophobicContact CB-CB 4.2Å; I43-L57 HydrophobicContact CB-CD1 4.48Å; I43-L57 PolarHBondContact N-O 3.44Å; I43-L57 PolarHBondContact O-N 3.27Å; I43-V64 HydrophobicContact CG1-CG1 4.35Å; I43-V64 HydrophobicContact CG1-CG2 4.06Å; I43-V67 HydrophobicContact CG1-CG2 4.49Å; I43-V67 HydrophobicContact CG2-CG1 4.45Å; I43-V67 HydrophobicContact CG2-CG2 4.46Å; I43-L86 HydrophobicContact CG2-CD2 3.99Å; I43-S88 WeakPolarHBondContact CD1-OG 3.49Å; I43-W98 HydrophobicContact CD1-CZ2 4.13Å |
| 44 | L | 91.9 | Very high | 91 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.016 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 136.1 | 173.7 | -63.5 | 89.8 | 0 | 0 | 0 | 110.7 | T16 A36 Q37 C39 M46 T53 | T16-L44 HydrophobicContact CG2-CD1 3.61Å; T16-L44 HydrophobicContact CG2-CD2 3.64Å; T16-L44 HydrophobicContact CG2-CG 3.9Å; T16-L44 WeakPolarHBondContact OG1-CD2 3.44Å; A36-L44 CarbonylContact C-O 3.59Å; A36-L44 VanDerWaalsContact CA-O 3.29Å; A36-L44 WeakPolarHBondContact CA-O 3.44Å; Q37-L44 PolarHBondContact N-O 3.34Å; Q37-L44 PolarHBondContact O-N 3.34Å; C39-L44 HydrophobicContact CB-CD1 3.36Å; L44-M46 HydrophobicContact CB-CG 4.39Å; L44-T53 HydrophobicContact CB-CG2 4.42Å; L44-T53 HydrophobicContact CD2-CG2 4.06Å |
| 45 | I | 93.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 15.1 Ų | 15.1 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122 | 170 | -49.2 | -57.4 | 0 | 0 | 0 | 107.7 | L34 I35 A36 I43 T53 I54 Q55 L57 W69 L86 V100 | L34-I45 HydrophobicContact CB-CG2 4.28Å; L34-I45 HydrophobicContact CD1-CG2 3.96Å; I35-I45 WeakPolarHBondContact O-CA 3.35Å; A36-I45 HydrophobicContact CB-CD1 3.73Å; I43-I45 HydrophobicContact CG2-CD1 4.21Å; I45-T53 CarbonylContact O-C 3.58Å; I45-I54 PolarHBondContact O-N 3.27Å; I45-Q55 HydrophobicContact CB-CB 4.12Å; I45-Q55 HydrophobicContact CG1-CB 4.21Å; I45-Q55 PolarHBondContact N-O 3.39Å; I45-Q55 PolarHBondContact O-N 2.78Å; I45-L57 HydrophobicContact CD1-CD1 4.35Å; I45-W69 HydrophobicContact CD1-CH2 3.91Å; I45-W69 HydrophobicContact CD1-CZ2 3.81Å; I45-W69 HydrophobicContact CG2-CH2 4.19Å; I45-W69 HydrophobicContact CG2-CZ2 4.14Å; I45-L86 HydrophobicContact CD1-CD2 3.9Å; I45-V100 HydrophobicContact CD1-CG1 4.46Å; I45-V100 HydrophobicContact CG1-CG1 3.89Å; I45-V100 HydrophobicContact CG2-CG1 4.41Å |
| 46 | M | 92 | Very high | 90.4 | Very high | 4 Ų | 4 | 15.2 Ų | 15.2 | 2% | 0.02 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.8 | -172.8 | -61.2 | 172.4 | -68.9 | 0 | 0 | 110.6 | I35 Q37 L44 P48 Q52 V384 L463 | I35-M46 HydrophobicContact CB-CE 4.27Å; I35-M46 HydrophobicContact CG2-CE 3.73Å; I35-M46 PolarHBondContact N-O 3.09Å; I35-M46 PolarHBondContact O-N 2.86Å; Q37-M46 HydrophobicContact CB-CE 3.61Å; Q37-M46 HydrophobicContact CG-CE 4.47Å; Q37-M46 VanDerWaalsContact OE1-CE 3.27Å; L44-M46 HydrophobicContact CB-CG 4.39Å; M46-P48 WeakPolarHBondContact O-CD 3.49Å; M46-Q52 WeakPolarHBondContact CA-O 3.16Å; M46-V384 HydrophobicContact CE-CG2 4.14Å; M46-V384 HydrophobicContact SD-CG2 3.97Å; M46-L463 HydrophobicContact CB-CD1 4.24Å; M46-L463 HydrophobicContact CG-CD1 3.96Å; M46-L463 HydrophobicContact SD-CD1 3.42Å; M46-L463 WeakPolarHBondContact SD-CD1 3.38Å |
| 47 | D | 91.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.027 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 118.3 | 166.3 | 176.2 | 28.1 | 0 | 0 | 0 | 109.9 | L34 K49 T50 A51 Q52 I54 V843 | L34-D47 HydrophobicContact CD2-CB 4.46Å; D47-K49 VanDerWaalsContact C-N 3.27Å; D47-K49 PolarHBondContact O-N 2.81Å; D47-K49 PolarHBondContact OD1-N 3Å; D47-T50 WeakPolarHBondContact CB-OG1 3.17Å; D47-T50 WeakPolarHBondContact OD2-CB 3.23Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.46Å; D47-T50 PolarHBondContact OD2-N 3.05Å; D47-T50 PolarHBondContact OD2-OG1 2.63Å; D47-A51 VanDerWaalsContact O-CA 3.3Å; D47-A51 WeakPolarHBondContact O-CA 3.37Å; D47-A51 PolarHBondContact O-N 2.98Å; D47-Q52 PolarHBondContact N-O 2.98Å; D47-I54 HydrophobicContact CB-CD1 3.74Å; D47-I54 HydrophobicContact CB-CG1 4.15Å; D47-V843 HydrophobicContact CB-CG1 4Å; D47-V843 HydrophobicContact CB-CG2 4.03Å |
| 48 | P | 91.2 | Very high | 89.8 | Confident | 17 Ų | 17 | 16.7 Ų | 16.7 | 11% | 0.11 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.5 | 176.1 | 27.4 | -34.1 | 0 | 0 | 0 | 114.1 | W29 G33 I35 M46 L386 | W29-P48 HydrophobicContact CH2-CB 3.85Å; W29-P48 HydrophobicContact CH2-CG 4.13Å; W29-P48 HydrophobicContact CZ2-CB 3.62Å; W29-P48 HydrophobicContact CZ2-CG 3.36Å; G33-P48 WeakPolarHBondContact O-CD 3.21Å; G33-P48 WeakPolarHBondContact O-CG 3.29Å; I35-P48 HydrophobicContact CD1-CB 3.9Å; I35-P48 HydrophobicContact CD1-CG 4.32Å; I35-P48 HydrophobicContact CG1-CG 4.4Å; M46-P48 WeakPolarHBondContact O-CD 3.49Å; P48-L386 HydrophobicContact CB-CD1 4.24Å; P48-L386 HydrophobicContact CB-CD2 4.16Å; P48-L386 WeakPolarHBondContact O-CD1 3.38Å |
| 49 | K | 87.4 | Confident | 89.7 | Confident | 121 Ų | 121 | 22.4 Ų | 22.4 | 53% | 0.526 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -47.9 | 179.4 | -69.6 | 177.2 | -178.9 | 171.1 | 0 | 112.1 | D47 | D47-K49 VanDerWaalsContact C-N 3.27Å; D47-K49 PolarHBondContact O-N 2.81Å; D47-K49 PolarHBondContact OD1-N 3Å |
| 50 | T | 85.8 | Confident | 89.7 | Confident | 38 Ų | 38 | 22.9 Ų | 22.9 | 23% | 0.233 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -9.8 | -179.8 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | D47 Q52 D841 | D47-T50 WeakPolarHBondContact CB-OG1 3.17Å; D47-T50 WeakPolarHBondContact OD2-CB 3.23Å; D47-T50 WeakPolarHBondContact OD2-CG2 3.46Å; D47-T50 PolarHBondContact OD2-N 3.05Å; D47-T50 PolarHBondContact OD2-OG1 2.63Å; T50-Q52 VanDerWaalsContact C-N 3.27Å; T50-Q52 PolarHBondContact O-N 3.08Å; T50-Q52 VanDerWaalsContact OG1-CG 3.27Å; T50-Q52 WeakPolarHBondContact OG1-CG 3.46Å; T50-Q52 PolarHBondContact OG1-NE2 3.29Å; T50-D841 HydrophobicContact CG2-CB 3.71Å |
| 51 | A | 86.9 | Confident | 89.6 | Confident | 16 Ų | 16 | 28.9 Ų | 28.9 | 13% | 0.132 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 48.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | D47 L386 L463 | D47-A51 VanDerWaalsContact O-CA 3.3Å; D47-A51 WeakPolarHBondContact O-CA 3.37Å; D47-A51 PolarHBondContact O-N 2.98Å; A51-L386 HydrophobicContact CB-CD1 4.01Å; A51-L463 HydrophobicContact CB-CG 4.37Å; A51-L463 WeakPolarHBondContact O-CD2 3.39Å |
| 52 | Q | 85.5 | Confident | 89.6 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 149.5 | 177.3 | 83.1 | -173.2 | -60.6 | 0 | 0 | 111.1 | M46 D47 T50 T840 D841 | M46-Q52 WeakPolarHBondContact CA-O 3.16Å; D47-Q52 PolarHBondContact N-O 2.98Å; T50-Q52 VanDerWaalsContact C-N 3.27Å; T50-Q52 PolarHBondContact O-N 3.08Å; T50-Q52 VanDerWaalsContact OG1-CG 3.27Å; T50-Q52 WeakPolarHBondContact OG1-CG 3.46Å; T50-Q52 PolarHBondContact OG1-NE2 3.29Å; Q52-T840 PolarHBondContact OE1-OG1 3.32Å; Q52-T840 VanDerWaalsContact OE1-OG1 3.06Å; Q52-D841 PolarHBondContact NE2-O 2.95Å |
| 53 | T | 87.1 | Confident | 89.7 | Confident | 48 Ų | 48 | 30.7 Ų | 30.7 | 29% | 0.294 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 116.2 | 170.5 | -56.4 | 0 | 0 | 0 | 0 | 108.9 | L44 I45 V56 | L44-T53 HydrophobicContact CB-CG2 4.42Å; L44-T53 HydrophobicContact CD2-CG2 4.06Å; I45-T53 CarbonylContact O-C 3.58Å; T53-V56 HydrophobicContact CG2-CG2 4.07Å |
| 54 | I | 87.8 | Confident | 89.8 | Confident | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -37.2 | -179.6 | -61.4 | 159.1 | 0 | 0 | 0 | 110.9 | L34 I45 D47 Y832 M834 L839 V843 | L34-I54 HydrophobicContact CD1-CD1 4.16Å; L34-I54 HydrophobicContact CD2-CD1 3.38Å; L34-I54 HydrophobicContact CG-CD1 4.37Å; I45-I54 PolarHBondContact O-N 3.27Å; D47-I54 HydrophobicContact CB-CD1 3.74Å; D47-I54 HydrophobicContact CB-CG1 4.15Å; I54-Y832 PolarHBondContact O-OH 3.08Å; I54-M834 HydrophobicContact CG2-CE 3.29Å; I54-M834 HydrophobicContact CG2-SD 3.81Å; I54-L839 HydrophobicContact CG2-CD2 4.25Å; I54-V843 HydrophobicContact CD1-CG1 4.3Å; I54-V843 HydrophobicContact CG1-CG2 4.37Å |
| 55 | Q | 88.1 | Confident | 89.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 154.2 | -173.5 | -162.7 | 169.6 | -3.3 | 0 | 0 | 112.9 | I45 L57 V100 Y832 M834 | I45-Q55 HydrophobicContact CB-CB 4.12Å; I45-Q55 HydrophobicContact CG1-CB 4.21Å; I45-Q55 PolarHBondContact N-O 3.39Å; I45-Q55 PolarHBondContact O-N 2.78Å; Q55-L57 HydrophobicContact CG-CD2 4.34Å; Q55-V100 PolarHBondContact NE2-O 3.49Å; Q55-V100 PolarHBondContact OE1-O 3.4Å; Q55-Y832 PolarHBondContact NE2-O 2.99Å; Q55-Y832 VanDerWaalsContact NE2-O 3.15Å; Q55-M834 HydrophobicContact CB-SD 4.09Å; Q55-M834 HydrophobicContact CG-SD 4.21Å; Q55-M834 PolarHBondContact OE1-SD 3.5Å |
| 56 | V | 89.8 | Confident | 90 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.018 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.6 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | I43 T53 E58 S831 | I43-V56 CarbonylContact O-C 3.51Å; I43-V56 VanDerWaalsContact O-CA 3.31Å; I43-V56 WeakPolarHBondContact O-CA 3.24Å; T53-V56 HydrophobicContact CG2-CG2 4.07Å; V56-E58 HydrophobicContact CG1-CG 3.97Å; V56-S831 WeakPolarHBondContact O-CA 3.27Å; V56-S831 WeakPolarHBondContact O-CB 3.46Å; V56-S831 PolarHBondContact O-OG 3.44Å |
| 57 | L | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 116.5 | 178 | -52.3 | 172.3 | 0 | 0 | 0 | 109.4 | S42 I43 I45 Q55 L86 W98 V100 | S42-L57 WeakPolarHBondContact CA-O 3.37Å; I43-L57 HydrophobicContact CB-CB 4.2Å; I43-L57 HydrophobicContact CB-CD1 4.48Å; I43-L57 PolarHBondContact N-O 3.44Å; I43-L57 PolarHBondContact O-N 3.27Å; I45-L57 HydrophobicContact CD1-CD1 4.35Å; Q55-L57 HydrophobicContact CG-CD2 4.34Å; L57-L86 HydrophobicContact CD1-CD2 4.08Å; L57-W98 HydrophobicContact CB-CD2 4.28Å; L57-W98 HydrophobicContact CB-CE3 4.02Å; L57-W98 HydrophobicContact CB-CH2 3.89Å; L57-W98 HydrophobicContact CB-CZ2 4.24Å; L57-W98 HydrophobicContact CB-CZ3 3.83Å; L57-W98 HydrophobicContact CD1-CB 4.08Å; L57-W98 HydrophobicContact CD1-CD2 3.87Å; L57-W98 HydrophobicContact CD1-CE3 4.13Å; L57-W98 HydrophobicContact CD1-CG 3.85Å; L57-W98 HydrophobicContact CD2-CE3 4.16Å; L57-W98 HydrophobicContact CD2-CZ3 4.48Å; L57-W98 HydrophobicContact CG-CE3 4.34Å; L57-V100 HydrophobicContact CD1-CG2 4.26Å |
| 58 | E | 87.8 | Confident | 90.3 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 17% | 0.168 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 104.9 | -177.8 | -62.2 | -174 | 150.8 | 0 | 0 | 111 | T14 V56 R821 A830 S831 | T14-E58 PolarHBondContact OG1-OE1 2.69Å; V56-E58 HydrophobicContact CG1-CG 3.97Å; E58-R821 IonicContact OE1-CZ 3.93Å; E58-R821 IonicContact OE1-NE 3.33Å; E58-R821 PolarHBondContact OE1-NE 3.3Å; E58-R821 IonicContact OE1-NH2 3.12Å; E58-A830 PolarHBondContact OE2-N 2.67Å; E58-A830 VanDerWaalsContact OE2-N 3.12Å; E58-S831 PolarHBondContact N-OG 3.03Å |
| 59 | R | 89.3 | Confident | 90.5 | Very high | 120 Ų | 120 | 34.2 Ų | 34.2 | 45% | 0.453 | 16% | 0.164 | S | C | . | . | trans | -157.5 | -22.7 | 174 | -160.9 | 161.5 | 164.8 | 169.6 | -10.2 | 114.3 | I96 W98 E108 | R59-I96 HydrophobicContact CB-CD1 4.24Å; R59-I96 HydrophobicContact CG-CD1 4.38Å; R59-W98 HydrophobicContact CB-CH2 3.28Å; R59-W98 HydrophobicContact CB-CZ2 4.14Å; R59-W98 HydrophobicContact CB-CZ3 3.94Å; R59-W98 HydrophobicContact CG-CH2 4.46Å; R59-E108 IonicContact CZ-OE1 2.77Å; R59-E108 IonicContact NE-OE1 2.83Å; R59-E108 PolarHBondContact NE-OE1 2.94Å; R59-E108 IonicContact NH2-OE1 2.77Å; R59-E108 PolarHBondContact NH2-OE1 3.11Å | ||
| 60 | H | 90.2 | Very high | 90.6 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.046 | 14% | 0.141 | C | C | . | . | trans | -63.9 | 144.9 | 173 | -77.2 | -75.6 | 0 | 0 | 0 | 111 | S41 V64 S88 D90 | S41-H60 WeakPolarHBondContact CB-O 3.46Å; S41-H60 WeakPolarHBondContact O-CB 3.5Å; H60-V64 HydrophobicContact CB-CG2 4.28Å; H60-S88 PolarHBondContact NE2-OG 3.49Å; H60-D90 HydrophobicContact CB-CB 4.48Å; H60-D90 IonicContact CE1-OD2 2.77Å; H60-D90 IonicContact CG-OD2 2.81Å; H60-D90 WeakPolarHBondContact ND1-CB 3.28Å; H60-D90 IonicContact ND1-OD2 3.51Å; H60-D90 PolarHBondContact ND1-OD2 3.3Å | ||
| 61 | K | 88.5 | Confident | 90.3 | Very high | 159 Ų | 159 | 30 Ų | 30 | 69% | 0.691 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -96.9 | -31.1 | 174.7 | -69.1 | -175.8 | -179.5 | -178.7 | 0 | 111.6 | N797 | K61-N797 VanDerWaalsContact CA-ND2 3.3Å; K61-N797 WeakPolarHBondContact CA-ND2 3.08Å; K61-N797 WeakPolarHBondContact CB-ND2 3.46Å; K61-N797 PolarHBondContact O-ND2 3.5Å |
| 62 | A | 91.5 | Very high | 89.8 | Confident | 22 Ų | 22 | 29.3 Ų | 29.3 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -99.4 | 169.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | S41 D90 A91 | S41-A62 WeakPolarHBondContact CA-O 3.44Å; S41-A62 WeakPolarHBondContact CB-O 3.48Å; A62-D90 HydrophobicContact CB-CB 4.14Å; A62-A91 HydrophobicContact CB-CB 4.22Å |
| 63 | N | 92.9 | Very high | 89.3 | Confident | 35 Ų | 35 | 30.5 Ų | 30.5 | 19% | 0.187 | 14% | 0.142 | C | C | . | . | P | Polyproline II helix | trans | -64.6 | 137.4 | 176.2 | -62.2 | -45.6 | 0 | 0 | 0 | 110.7 | N20 Q22 H40 D90 A91 | N20-N63 PolarHBondContact ND2-ND2 3.38Å; Q22-N63 HydrophobicContact CB-CB 4.14Å; Q22-N63 PolarHBondContact OE1-ND2 3.28Å; H40-N63 CarbonylContact O-C 3.53Å; H40-N63 VanDerWaalsContact O-CA 3.26Å; H40-N63 WeakPolarHBondContact O-CA 3.2Å; N63-D90 CarbonylContact O-C 3.59Å; N63-D90 WeakPolarHBondContact O-CA 3.41Å; N63-D90 WeakPolarHBondContact O-CB 3.34Å; N63-A91 PolarHBondContact O-N 3.21Å |
| 64 | V | 94.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.8 | 176.7 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | N23 A26 H40 I43 H60 V67 | N23-V64 PolarHBondContact ND2-O 3.27Å; A26-V64 HydrophobicContact CB-CG1 4.14Å; H40-V64 PolarHBondContact O-N 2.93Å; I43-V64 HydrophobicContact CG1-CG1 4.35Å; I43-V64 HydrophobicContact CG1-CG2 4.06Å; H60-V64 HydrophobicContact CB-CG2 4.28Å; V64-V67 HydrophobicContact CG1-CG2 3.57Å |
| 65 | V | 94.8 | Very high | 88.2 | Confident | 19 Ų | 19 | 30.2 Ų | 30.2 | 12% | 0.115 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -34.9 | -175.5 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | T25 A26 G89 A91 P115 | T25-V65 CarbonylContact C-O 3.38Å; T25-V65 PolarHBondContact OG1-O 3.46Å; A26-V65 PolarHBondContact N-O 2.97Å; V65-G89 PolarHBondContact N-O 3.13Å; V65-A91 HydrophobicContact CG2-CB 3.88Å; V65-P115 HydrophobicContact CG2-CB 4.48Å |
| 66 | K | 94.9 | Very high | 87.8 | Confident | 30 Ų | 30 | 30.3 Ų | 30.3 | 13% | 0.13 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145.3 | -179.3 | -72.9 | -71.4 | -178.2 | 139.7 | 0 | 110.8 | T25 S88 G89 Q117 D118 L119 | T25-K66 WeakPolarHBondContact OG1-CE 3.47Å; K66-S88 CarbonylContact O-C 3.56Å; K66-S88 VanDerWaalsContact O-CA 3.3Å; K66-S88 WeakPolarHBondContact O-CA 3.15Å; K66-G89 PolarHBondContact N-O 3.23Å; K66-G89 PolarHBondContact O-N 3.19Å; K66-Q117 WeakPolarHBondContact CE-O 3.43Å; K66-D118 IonicContact NZ-OD1 2.83Å; K66-D118 PolarHBondContact NZ-OD1 3Å; K66-L119 HydrophobicContact CB-CB 4.4Å |
| 67 | V | 96.1 | Very high | 87.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 136.6 | 176.1 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | A26 D28 A36 I43 V64 L86 A87 | A26-V67 HydrophobicContact CB-CG2 4.16Å; D28-V67 WeakPolarHBondContact CB-O 3.35Å; A36-V67 HydrophobicContact CB-CG1 3.61Å; I43-V67 HydrophobicContact CG1-CG2 4.49Å; I43-V67 HydrophobicContact CG2-CG1 4.45Å; I43-V67 HydrophobicContact CG2-CG2 4.46Å; V64-V67 HydrophobicContact CG1-CG2 3.57Å; V67-L86 HydrophobicContact CG1-CD1 3.39Å; V67-L86 HydrophobicContact CG1-CD2 3.8Å; V67-L86 HydrophobicContact CG1-CG 3.88Å; V67-A87 CarbonylContact C-O 3.55Å; V67-A87 WeakPolarHBondContact CA-O 3.24Å |
| 68 | K | 95.1 | Very high | 86.8 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 20% | 0.196 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 129.2 | 179.6 | -74.9 | -63.7 | -171.1 | 148.9 | 0 | 112.5 | D28 L86 A87 L119 E120 W121 | D28-K68 HydrophobicContact CB-CD 4.36Å; D28-K68 WeakPolarHBondContact OD2-CA 3.21Å; K68-L86 VanDerWaalsContact C-CD1 3.45Å; K68-L86 VanDerWaalsContact O-CD1 3.31Å; K68-L86 WeakPolarHBondContact O-CD1 2.98Å; K68-A87 PolarHBondContact N-O 3.26Å; K68-A87 PolarHBondContact O-N 3.43Å; K68-L119 HydrophobicContact CB-CD2 4.43Å; K68-L119 WeakPolarHBondContact CE-O 3.47Å; K68-L119 HydrophobicContact CG-CB 4.38Å; K68-L119 VanDerWaalsContact CG-O 3.28Å; K68-L119 WeakPolarHBondContact CG-O 3.49Å; K68-E120 VanDerWaalsContact CE-OE2 3.3Å; K68-E120 WeakPolarHBondContact CE-OE2 3.32Å; K68-E120 IonicContact NZ-OE2 3.7Å; K68-E120 PolarHBondContact NZ-OE2 3.47Å; K68-W121 PolarHBondContact O-NE1 3.1Å |
| 69 | W | 93.9 | Very high | 86.4 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 3% | 0.034 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 143.1 | 173.9 | -71.9 | 108.8 | 0 | 0 | 0 | 111.9 | D28 Q32 L34 A36 I45 L84 R85 L86 V100 W121 | D28-W69 PolarHBondContact O-NE1 3.26Å; D28-W69 PolarHBondContact OD2-N 2.92Å; Q32-W69 VanDerWaalsContact NE2-CZ3 3.26Å; L34-W69 HydrophobicContact CB-CZ2 4.1Å; L34-W69 PolarHBondContact O-NE1 3.2Å; A36-W69 HydrophobicContact CB-CZ2 3.74Å; I45-W69 HydrophobicContact CD1-CH2 3.91Å; I45-W69 HydrophobicContact CD1-CZ2 3.81Å; I45-W69 HydrophobicContact CG2-CH2 4.19Å; I45-W69 HydrophobicContact CG2-CZ2 4.14Å; W69-L84 HydrophobicContact CZ3-CB 4.41Å; W69-L84 HydrophobicContact CZ3-CD2 4.48Å; W69-R85 VanDerWaalsContact CE3-O 3.31Å; W69-L86 HydrophobicContact CB-CD1 4.48Å; W69-L86 HydrophobicContact CD2-CB 4.48Å; W69-L86 HydrophobicContact CD2-CD1 3.47Å; W69-L86 VanDerWaalsContact CD2-CD1 3.47Å; W69-L86 HydrophobicContact CE3-CB 3.87Å; W69-L86 HydrophobicContact CE3-CD1 3.75Å; W69-L86 HydrophobicContact CE3-CG 4.37Å; W69-L86 HydrophobicContact CG-CD1 3.83Å; W69-L86 HydrophobicContact CZ2-CD1 4.41Å; W69-L86 HydrophobicContact CZ3-CB 3.91Å; W69-L86 HydrophobicContact CZ3-CD1 4.32Å; W69-V100 HydrophobicContact CH2-CB 4.45Å; W69-V100 HydrophobicContact CH2-CG1 4.34Å; W69-V100 HydrophobicContact CH2-CG2 3.81Å; W69-V100 HydrophobicContact CZ3-CB 4.46Å; W69-V100 HydrophobicContact CZ3-CG2 3.67Å; W69-W121 VanDerWaalsContact C-CD1 3.42Å; W69-W121 PolarHBondContact O-NE1 2.69Å |
| 70 | S | 90 | Very high | 85.9 | Confident | 5 Ų | 5 | 33.1 Ų | 33.1 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -61.2 | 148 | 166.1 | 57.6 | 0 | 0 | 0 | 0 | 110 | R85 | S70-R85 PolarHBondContact N-O 2.95Å; S70-R85 WeakPolarHBondContact OG-CB 3.5Å; S70-R85 PolarHBondContact OG-O 3.31Å |
| 71 | R | 81 | Confident | 85.5 | Confident | 64 Ų | 64 | 34.7 Ų | 34.7 | 24% | 0.242 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -88.2 | 134.9 | 175.1 | -62.5 | -167.3 | -176.6 | -157.9 | 3.9 | 110.4 | N73 E120 Q125 E925 | R71-N73 HydrophobicContact CB-CB 4.42Å; R71-N73 PolarHBondContact O-N 2.69Å; R71-E120 IonicContact CZ-OE1 2.92Å; R71-E120 IonicContact NE-OE1 3.11Å; R71-E120 IonicContact NH2-OE1 2.79Å; R71-E120 PolarHBondContact NH2-OE1 3.02Å; R71-Q125 PolarHBondContact O-NE2 2.91Å; R71-E925 IonicContact NH1-OE1 3.01Å |
| 72 | E | 75.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.009 | 15% | 0.147 | C | C | . | . | trans | -84.5 | 50.8 | 173.8 | -54.4 | -60.4 | 173.8 | 0 | 0 | 110.8 | Y74 H76 E925 | E72-Y74 VanDerWaalsContact C-N 3.3Å; E72-Y74 PolarHBondContact O-N 2.7Å; E72-Y74 VanDerWaalsContact OE2-CE1 3.3Å; E72-Y74 WeakPolarHBondContact OE2-CE1 3.38Å; E72-Y74 VanDerWaalsContact OE2-CZ 3.31Å; E72-Y74 PolarHBondContact OE2-OH 2.91Å; E72-H76 IonicContact OE2-CE1 3.22Å; E72-H76 PolarHBondContact OE2-CE1 2.93Å; E72-H76 VanDerWaalsContact OE2-CE1 3.22Å; E72-H76 IonicContact OE2-NE2 2.78Å; E72-E925 PolarHBondContact O-N 3.07Å | ||
| 73 | N | 74.7 | Confident | 84.9 | Confident | 31 Ų | 31 | 27.9 Ų | 27.9 | 17% | 0.166 | 15% | 0.149 | C | C | . | . | trans | -97.7 | 36.8 | -178.1 | -164.1 | 26 | 0 | 0 | 0 | 112.3 | R71 W123 E925 S926 | R71-N73 HydrophobicContact CB-CB 4.42Å; R71-N73 PolarHBondContact O-N 2.69Å; N73-W123 PolarHBondContact ND2-O 2.96Å; N73-E925 HydrophobicContact CB-CB 4.26Å; N73-E925 HydrophobicContact CB-CG 4.36Å; N73-S926 WeakPolarHBondContact OD1-CB 3.43Å; N73-S926 PolarHBondContact OD1-N 2.74Å | ||
| 74 | Y | 75 | Confident | 84.7 | Confident | 35 Ų | 35 | 26.3 Ų | 26.3 | 14% | 0.137 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -135.4 | 170.8 | 175 | 58.3 | -80.4 | 0 | 0 | 0 | 109.7 | E72 H76 S926 | E72-Y74 VanDerWaalsContact C-N 3.3Å; E72-Y74 PolarHBondContact O-N 2.7Å; E72-Y74 VanDerWaalsContact OE2-CE1 3.3Å; E72-Y74 WeakPolarHBondContact OE2-CE1 3.38Å; E72-Y74 VanDerWaalsContact OE2-CZ 3.31Å; E72-Y74 PolarHBondContact OE2-OH 2.91Å; Y74-H76 AromaticContact CE2-CE1 3.36Å; Y74-H76 WeakPolarHBondContact CE2-CE1 3.35Å; Y74-H76 AromaticContact CE2-ND1 3.45Å; Y74-H76 WeakPolarHBondContact CE2-ND1 3.42Å; Y74-H76 AromaticContact CZ-CE1 3.39Å; Y74-H76 AromaticContact CZ-ND1 3.92Å; Y74-H76 PolarHBondContact OH-CE1 3.47Å; Y74-S926 PolarHBondContact O-OG 3.41Å; Y74-S926 VanDerWaalsContact O-OG 3.08Å |
| 75 | Y | 76.7 | Confident | 84.5 | Confident | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.031 | 15% | 0.147 | C | C | . | . | trans | -88.4 | 132.6 | 177.5 | 174.6 | -95.3 | 0 | 0 | 0 | 110.6 | N77 S80 Y1155 D1157 R1158 | Y75-N77 HydrophobicContact CD1-CB 4.3Å; Y75-N77 HydrophobicContact CE1-CB 3.81Å; Y75-S80 WeakPolarHBondContact O-CB 3.45Å; Y75-S80 PolarHBondContact O-OG 3.38Å; Y75-Y1155 AromaticContact CD1-CD1 3.09Å; Y75-Y1155 HydrophobicContact CD1-CD1 3.09Å; Y75-Y1155 AromaticContact CD1-CE1 3.36Å; Y75-Y1155 HydrophobicContact CD1-CE1 3.36Å; Y75-Y1155 AromaticContact CD1-CG 3.9Å; Y75-Y1155 HydrophobicContact CD1-CG 3.9Å; Y75-Y1155 AromaticContact CD2-CD1 3.82Å; Y75-Y1155 HydrophobicContact CD2-CD1 3.82Å; Y75-Y1155 HydrophobicContact CD2-CD2 4.18Å; Y75-Y1155 HydrophobicContact CD2-CE1 4.31Å; Y75-Y1155 AromaticContact CD2-CG 3.76Å; Y75-Y1155 HydrophobicContact CD2-CG 3.76Å; Y75-Y1155 AromaticContact CE1-CD1 3.48Å; Y75-Y1155 HydrophobicContact CE1-CD1 3.48Å; Y75-Y1155 VanDerWaalsContact CE1-CD1 3.48Å; Y75-Y1155 HydrophobicContact CE1-CE1 4.2Å; Y75-Y1155 HydrophobicContact CE1-CG 4.13Å; Y75-Y1155 HydrophobicContact CE2-CD1 4.17Å; Y75-Y1155 HydrophobicContact CE2-CG 4.02Å; Y75-Y1155 AromaticContact CG-CD1 3.25Å; Y75-Y1155 HydrophobicContact CG-CD1 3.25Å; Y75-Y1155 HydrophobicContact CG-CD2 4.17Å; Y75-Y1155 AromaticContact CG-CE1 3.4Å; Y75-Y1155 HydrophobicContact CG-CE1 3.4Å; Y75-Y1155 VanDerWaalsContact CG-CE1 3.4Å; Y75-Y1155 HydrophobicContact CG-CE2 4.28Å; Y75-Y1155 AromaticContact CG-CG 3.68Å; Y75-Y1155 HydrophobicContact CG-CG 3.68Å; Y75-Y1155 AromaticContact CG-CZ 3.92Å; Y75-D1157 WeakPolarHBondContact CE2-OD1 3.3Å; Y75-D1157 VanDerWaalsContact OH-CG 3.31Å; Y75-D1157 PolarHBondContact OH-OD1 2.8Å; Y75-R1158 HydrophobicContact CE2-CB 4.37Å | ||
| 76 | H | 80.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.009 | 14% | 0.141 | C | C | . | . | trans | -93.2 | 129.9 | -178.2 | -61 | -78.5 | 0 | 0 | 0 | 112.1 | E72 Y74 S80 Y82 L855 D924 | E72-H76 IonicContact OE2-CE1 3.22Å; E72-H76 PolarHBondContact OE2-CE1 2.93Å; E72-H76 VanDerWaalsContact OE2-CE1 3.22Å; E72-H76 IonicContact OE2-NE2 2.78Å; Y74-H76 AromaticContact CE2-CE1 3.36Å; Y74-H76 WeakPolarHBondContact CE2-CE1 3.35Å; Y74-H76 AromaticContact CE2-ND1 3.45Å; Y74-H76 WeakPolarHBondContact CE2-ND1 3.42Å; Y74-H76 AromaticContact CZ-CE1 3.39Å; Y74-H76 AromaticContact CZ-ND1 3.92Å; Y74-H76 PolarHBondContact OH-CE1 3.47Å; H76-S80 VanDerWaalsContact CA-O 3.25Å; H76-S80 WeakPolarHBondContact CA-O 3.45Å; H76-Y82 HydrophobicContact CB-CD2 4.18Å; H76-Y82 HydrophobicContact CB-CE1 4.1Å; H76-Y82 HydrophobicContact CB-CE2 3.71Å; H76-Y82 AromaticContact CD2-CD1 3.8Å; H76-Y82 AromaticContact CD2-CE1 3.12Å; H76-Y82 WeakPolarHBondContact CD2-CE1 3.42Å; H76-Y82 AromaticContact CD2-CZ 3.42Å; H76-Y82 VanDerWaalsContact CD2-CZ 3.42Å; H76-Y82 AromaticContact CE1-CD1 3.54Å; H76-Y82 AromaticContact CE1-CE1 3.66Å; H76-Y82 AromaticContact CG-CD1 3.73Å; H76-Y82 AromaticContact CG-CE1 3.38Å; H76-Y82 AromaticContact CG-CE2 3.91Å; H76-Y82 AromaticContact CG-CZ 3.47Å; H76-Y82 VanDerWaalsContact CG-CZ 3.47Å; H76-Y82 AromaticContact ND1-CD1 3.58Å; H76-Y82 AromaticContact ND1-CE1 3.72Å; H76-Y82 AromaticContact ND1-CG 3.93Å; H76-Y82 AromaticContact NE2-CD1 3.7Å; H76-Y82 AromaticContact NE2-CE1 3.34Å; H76-Y82 VanDerWaalsContact NE2-CE1 3.34Å; H76-Y82 WeakPolarHBondContact NE2-CE1 3.45Å; H76-L855 HydrophobicContact CB-CD2 4.3Å; H76-D924 IonicContact CD2-OD1 3.12Å; H76-D924 IonicContact NE2-OD1 2.77Å | ||
| 77 | N | 80.3 | Confident | 84.6 | Confident | 34 Ų | 34 | 25.7 Ų | 25.7 | 18% | 0.182 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -149.9 | -171.5 | 172.7 | 67 | 34.6 | 0 | 0 | 0 | 109.9 | Y75 S79 S80 P81 | Y75-N77 HydrophobicContact CD1-CB 4.3Å; Y75-N77 HydrophobicContact CE1-CB 3.81Å; N77-S79 PolarHBondContact O-N 3.39Å; N77-S79 WeakPolarHBondContact OD1-CA 3.04Å; N77-S79 PolarHBondContact OD1-N 3.46Å; N77-S79 PolarHBondContact OD1-OG 3.34Å; N77-S80 VanDerWaalsContact CG-OG 3.23Å; N77-S80 PolarHBondContact N-O 2.99Å; N77-S80 VanDerWaalsContact N-O 3.07Å; N77-S80 PolarHBondContact N-OG 3.26Å; N77-S80 VanDerWaalsContact N-OG 3.09Å; N77-S80 CarbonylContact O-C 3.6Å; N77-S80 PolarHBondContact O-N 3.45Å; N77-S80 VanDerWaalsContact O-O 3.08Å; N77-S80 PolarHBondContact OD1-N 2.9Å; N77-S80 PolarHBondContact OD1-OG 3.48Å; N77-P81 WeakPolarHBondContact O-CA 3.4Å; N77-P81 VanDerWaalsContact O-N 3.14Å |
| 78 | L | 78.1 | Confident | 84.6 | Confident | 93 Ų | 93 | 25.7 Ų | 25.7 | 49% | 0.487 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -65 | -23.8 | -179.2 | -67.6 | 170 | 0 | 0 | 0 | 114.1 | L855 L1196 | L78-L855 HydrophobicContact CD2-CD1 3.89Å; L78-L855 HydrophobicContact CG-CD1 4.14Å; L78-L1196 HydrophobicContact CD2-CD2 4.44Å |
| 79 | S | 79.6 | Confident | 84.6 | Confident | 88 Ų | 88 | 23.5 Ų | 23.5 | 62% | 0.615 | 13% | 0.125 | S | C | * | . | S | Bend | trans | -94.7 | -15.7 | 173.5 | 70.8 | 0 | 0 | 0 | 0 | 113.8 | N77 P81 R129 | N77-S79 PolarHBondContact O-N 3.39Å; N77-S79 WeakPolarHBondContact OD1-CA 3.04Å; N77-S79 PolarHBondContact OD1-N 3.46Å; N77-S79 PolarHBondContact OD1-OG 3.34Å; S79-P81 VanDerWaalsContact C-CD 3.47Å; S79-R129 PolarHBondContact O-NH1 3.14Å; S79-R129 VanDerWaalsContact O-NH1 3.15Å |
| 80 | S | 79.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -122.8 | 67.9 | 169.5 | 48.8 | 0 | 0 | 0 | 0 | 110.9 | Y75 H76 N77 R129 | Y75-S80 WeakPolarHBondContact O-CB 3.45Å; Y75-S80 PolarHBondContact O-OG 3.38Å; H76-S80 VanDerWaalsContact CA-O 3.25Å; H76-S80 WeakPolarHBondContact CA-O 3.45Å; N77-S80 VanDerWaalsContact CG-OG 3.23Å; N77-S80 PolarHBondContact N-O 2.99Å; N77-S80 VanDerWaalsContact N-O 3.07Å; N77-S80 PolarHBondContact N-OG 3.26Å; N77-S80 VanDerWaalsContact N-OG 3.09Å; N77-S80 CarbonylContact O-C 3.6Å; N77-S80 PolarHBondContact O-N 3.45Å; N77-S80 VanDerWaalsContact O-O 3.08Å; N77-S80 PolarHBondContact OD1-N 2.9Å; N77-S80 PolarHBondContact OD1-OG 3.48Å; S80-R129 VanDerWaalsContact CB-CZ 3.41Å |
| 81 | P | 82.3 | Confident | 84.8 | Confident | 42 Ų | 42 | 23.8 Ų | 23.8 | 27% | 0.273 | 13% | 0.13 | S | C | . | . | trans | -65.7 | 159.3 | -177.8 | 30.6 | -37.8 | 0 | 0 | 0 | 111.7 | N77 S79 C83 P851 | N77-P81 WeakPolarHBondContact O-CA 3.4Å; N77-P81 VanDerWaalsContact O-N 3.14Å; S79-P81 VanDerWaalsContact C-CD 3.47Å; P81-C83 PolarHBondContact O-N 3.45Å; P81-P851 HydrophobicContact CB-CB 3.41Å; P81-P851 VanDerWaalsContact CB-CB 3.41Å; P81-P851 HydrophobicContact CB-CG 3.47Å; P81-P851 VanDerWaalsContact CB-CG 3.47Å; P81-P851 HydrophobicContact CG-CG 4.36Å | ||
| 82 | Y | 84 | Confident | 85.3 | Confident | 8 Ų | 8 | 22.5 Ų | 22.5 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | trans | -58.9 | 125.7 | 164.5 | -70.6 | -78.1 | 0 | 0 | 0 | 109.4 | H76 A854 L855 K858 F922 D924 | H76-Y82 HydrophobicContact CB-CD2 4.18Å; H76-Y82 HydrophobicContact CB-CE1 4.1Å; H76-Y82 HydrophobicContact CB-CE2 3.71Å; H76-Y82 AromaticContact CD2-CD1 3.8Å; H76-Y82 AromaticContact CD2-CE1 3.12Å; H76-Y82 WeakPolarHBondContact CD2-CE1 3.42Å; H76-Y82 AromaticContact CD2-CZ 3.42Å; H76-Y82 VanDerWaalsContact CD2-CZ 3.42Å; H76-Y82 AromaticContact CE1-CD1 3.54Å; H76-Y82 AromaticContact CE1-CE1 3.66Å; H76-Y82 AromaticContact CG-CD1 3.73Å; H76-Y82 AromaticContact CG-CE1 3.38Å; H76-Y82 AromaticContact CG-CE2 3.91Å; H76-Y82 AromaticContact CG-CZ 3.47Å; H76-Y82 VanDerWaalsContact CG-CZ 3.47Å; H76-Y82 AromaticContact ND1-CD1 3.58Å; H76-Y82 AromaticContact ND1-CE1 3.72Å; H76-Y82 AromaticContact ND1-CG 3.93Å; H76-Y82 AromaticContact NE2-CD1 3.7Å; H76-Y82 AromaticContact NE2-CE1 3.34Å; H76-Y82 VanDerWaalsContact NE2-CE1 3.34Å; H76-Y82 WeakPolarHBondContact NE2-CE1 3.45Å; Y82-A854 HydrophobicContact CD2-CB 3.66Å; Y82-A854 HydrophobicContact CE2-CB 4.27Å; Y82-A854 HydrophobicContact CG-CB 4.43Å; Y82-L855 HydrophobicContact CE2-CD2 4.04Å; Y82-K858 WeakPolarHBondContact OH-CD 3.34Å; Y82-K858 PolarHBondContact OH-NZ 2.84Å; Y82-F922 HydrophobicContact CE1-CD1 4.09Å; Y82-F922 HydrophobicContact CE2-CD1 4.18Å; Y82-F922 HydrophobicContact CE2-CE1 4.2Å; Y82-F922 AromaticContact CZ-CD1 3.66Å; Y82-F922 WeakPolarHBondContact OH-CD1 3.41Å; Y82-D924 VanDerWaalsContact CE1-OD1 3.29Å; Y82-D924 WeakPolarHBondContact CE1-OD1 3.39Å; Y82-D924 PolarHBondContact OH-OD1 2.95Å; Y82-D924 PolarHBondContact OH-OD2 2.96Å | ||
| 83 | C | 82.2 | Confident | 86.1 | Confident | 31 Ų | 31 | 22.4 Ų | 22.4 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | trans | -140.8 | 125.2 | -179 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | P81 R85 | P81-C83 PolarHBondContact O-N 3.45Å; C83-R85 PolarHBondContact O-N 2.89Å; C83-R85 VanDerWaalsContact O-N 3.1Å; C83-R85 VanDerWaalsContact SG-CG 3.58Å | ||
| 84 | L | 88.8 | Confident | 87 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | trans | -82.3 | 88.7 | 177.5 | -70.7 | 175 | 0 | 0 | 0 | 110.7 | Q32 L34 W69 V100 V101 S847 L848 | Q32-L84 HydrophobicContact CB-CD2 3.84Å; Q32-L84 HydrophobicContact CG-CD2 3.53Å; L34-L84 HydrophobicContact CD1-CD1 4.22Å; W69-L84 HydrophobicContact CZ3-CB 4.41Å; W69-L84 HydrophobicContact CZ3-CD2 4.48Å; L84-V100 HydrophobicContact CB-CB 3.92Å; L84-V100 HydrophobicContact CB-CG2 4.49Å; L84-V100 WeakPolarHBondContact O-CG2 3.23Å; L84-V100 PolarHBondContact O-N 3.46Å; L84-V101 HydrophobicContact CB-CG2 4.16Å; L84-V101 HydrophobicContact CD1-CG2 3.92Å; L84-V101 HydrophobicContact CG-CG2 4.27Å; L84-S847 VanDerWaalsContact CD2-CB 3.42Å; L84-L848 HydrophobicContact CD1-CD2 3.49Å; L84-L848 VanDerWaalsContact CD1-CD2 3.49Å; L84-L848 HydrophobicContact CD1-CG 4.04Å | ||
| 85 | R | 91.3 | Very high | 88 | Confident | 37 Ų | 37 | 20.9 Ų | 20.9 | 14% | 0.14 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.8 | 175.7 | -62.2 | -166.9 | -179.8 | -147.3 | 0.7 | 112.6 | W69 S70 C83 W98 H106 D130 D147 | W69-R85 VanDerWaalsContact CE3-O 3.31Å; S70-R85 PolarHBondContact N-O 2.95Å; S70-R85 WeakPolarHBondContact OG-CB 3.5Å; S70-R85 PolarHBondContact OG-O 3.31Å; C83-R85 PolarHBondContact O-N 2.89Å; C83-R85 VanDerWaalsContact O-N 3.1Å; C83-R85 VanDerWaalsContact SG-CG 3.58Å; R85-W98 WeakPolarHBondContact CA-O 3.23Å; R85-H106 PolarHBondContact NH1-CD2 2.94Å; R85-H106 PolarHBondContact NH1-NE2 3.17Å; R85-D130 WeakPolarHBondContact CD-OD1 3.39Å; R85-D130 IonicContact CZ-OD2 2.76Å; R85-D130 VanDerWaalsContact CZ-OD2 3.23Å; R85-D130 IonicContact NE-OD1 3.9Å; R85-D130 IonicContact NE-OD2 2.68Å; R85-D130 IonicContact NH1-OD1 3.05Å; R85-D130 IonicContact NH1-OD2 3.13Å; R85-D130 PolarHBondContact NH1-OD2 3.23Å; R85-D130 IonicContact NH2-OD2 3.89Å; R85-D147 IonicContact CZ-OD1 3.7Å; R85-D147 IonicContact NH1-OD1 2.57Å; R85-D147 PolarHBondContact NH1-OD1 2.96Å; R85-D147 IonicContact NH2-OD1 2.75Å; R85-D147 PolarHBondContact NH2-OD1 3.37Å |
| 86 | L | 95.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 137.6 | 177.8 | -178.1 | 70 | 0 | 0 | 0 | 109.7 | A36 I43 I45 L57 V67 K68 W69 V97 W98 V100 | A36-L86 HydrophobicContact CB-CD1 3.97Å; A36-L86 HydrophobicContact CB-CD2 3.95Å; I43-L86 HydrophobicContact CG2-CD2 3.99Å; I45-L86 HydrophobicContact CD1-CD2 3.9Å; L57-L86 HydrophobicContact CD1-CD2 4.08Å; V67-L86 HydrophobicContact CG1-CD1 3.39Å; V67-L86 HydrophobicContact CG1-CD2 3.8Å; V67-L86 HydrophobicContact CG1-CG 3.88Å; K68-L86 VanDerWaalsContact C-CD1 3.45Å; K68-L86 VanDerWaalsContact O-CD1 3.31Å; K68-L86 WeakPolarHBondContact O-CD1 2.98Å; W69-L86 HydrophobicContact CB-CD1 4.48Å; W69-L86 HydrophobicContact CD2-CB 4.48Å; W69-L86 HydrophobicContact CD2-CD1 3.47Å; W69-L86 VanDerWaalsContact CD2-CD1 3.47Å; W69-L86 HydrophobicContact CE3-CB 3.87Å; W69-L86 HydrophobicContact CE3-CD1 3.75Å; W69-L86 HydrophobicContact CE3-CG 4.37Å; W69-L86 HydrophobicContact CG-CD1 3.83Å; W69-L86 HydrophobicContact CZ2-CD1 4.41Å; W69-L86 HydrophobicContact CZ3-CB 3.91Å; W69-L86 HydrophobicContact CZ3-CD1 4.32Å; L86-V97 CarbonylContact O-C 3.54Å; L86-V97 WeakPolarHBondContact O-CA 3.29Å; L86-W98 HydrophobicContact CB-CB 4.34Å; L86-W98 PolarHBondContact N-O 2.89Å; L86-W98 PolarHBondContact O-N 2.69Å; L86-V100 HydrophobicContact CB-CG2 3.85Å |
| 87 | A | 95.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V67 K68 I96 V97 L119 W121 L132 | V67-A87 CarbonylContact C-O 3.55Å; V67-A87 WeakPolarHBondContact CA-O 3.24Å; K68-A87 PolarHBondContact N-O 3.26Å; K68-A87 PolarHBondContact O-N 3.43Å; A87-I96 CarbonylContact C-O 3.57Å; A87-I96 WeakPolarHBondContact CA-O 3.47Å; A87-V97 HydrophobicContact CB-CG2 4.42Å; A87-L119 HydrophobicContact CB-CD2 3.77Å; A87-W121 HydrophobicContact CB-CH2 4.5Å; A87-W121 HydrophobicContact CB-CZ2 3.53Å; A87-L132 HydrophobicContact CB-CD1 3.99Å; A87-L132 HydrophobicContact CB-CD2 3.86Å |
| 88 | S | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138.7 | 174.9 | 59.8 | 0 | 0 | 0 | 0 | 111.8 | I43 H60 K66 I95 I96 W98 | I43-S88 WeakPolarHBondContact CD1-OG 3.49Å; H60-S88 PolarHBondContact NE2-OG 3.49Å; K66-S88 CarbonylContact O-C 3.56Å; K66-S88 VanDerWaalsContact O-CA 3.3Å; K66-S88 WeakPolarHBondContact O-CA 3.15Å; S88-I95 CarbonylContact O-C 3.5Å; S88-I95 WeakPolarHBondContact O-CA 3.32Å; S88-I96 PolarHBondContact N-O 2.94Å; S88-I96 PolarHBondContact O-N 3.47Å; S88-W98 PolarHBondContact OG-NE1 2.96Å |
| 89 | G | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 136.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V65 K66 K94 | V65-G89 PolarHBondContact N-O 3.13Å; K66-G89 PolarHBondContact N-O 3.23Å; K66-G89 PolarHBondContact O-N 3.19Å; G89-K94 WeakPolarHBondContact CA-O 3.32Å |
| 90 | D | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 172.9 | 178.8 | 72.3 | 26.5 | 0 | 0 | 0 | 114.6 | H60 A62 N63 S92 G93 K94 | H60-D90 HydrophobicContact CB-CB 4.48Å; H60-D90 IonicContact CE1-OD2 2.77Å; H60-D90 IonicContact CG-OD2 2.81Å; H60-D90 WeakPolarHBondContact ND1-CB 3.28Å; H60-D90 IonicContact ND1-OD2 3.51Å; H60-D90 PolarHBondContact ND1-OD2 3.3Å; A62-D90 HydrophobicContact CB-CB 4.14Å; N63-D90 CarbonylContact O-C 3.59Å; N63-D90 WeakPolarHBondContact O-CA 3.41Å; N63-D90 WeakPolarHBondContact O-CB 3.34Å; D90-S92 VanDerWaalsContact CG-OG 3.25Å; D90-S92 PolarHBondContact O-N 3.2Å; D90-S92 VanDerWaalsContact OD1-CA 3.29Å; D90-S92 WeakPolarHBondContact OD1-CA 3.42Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.83Å; D90-S92 PolarHBondContact OD1-OG 3.07Å; D90-S92 PolarHBondContact OD2-OG 2.97Å; D90-G93 PolarHBondContact O-N 3.47Å; D90-G93 VanDerWaalsContact O-N 3.09Å; D90-G93 PolarHBondContact OD1-N 2.89Å; D90-K94 PolarHBondContact N-O 2.69Å; D90-K94 PolarHBondContact OD1-N 3.15Å; D90-K94 WeakPolarHBondContact OD2-CB 3.21Å |
| 91 | A | 93.2 | Very high | 92 | Very high | 20 Ų | 20 | 14.1 Ų | 14.1 | 17% | 0.165 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -14.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A62 N63 V65 P115 | A62-A91 HydrophobicContact CB-CB 4.22Å; N63-A91 PolarHBondContact O-N 3.21Å; V65-A91 HydrophobicContact CG2-CB 3.88Å; A91-P115 HydrophobicContact CB-CB 4.45Å; A91-P115 WeakPolarHBondContact O-CA 3.45Å |
| 92 | S | 92.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 13.2 Ų | 13.2 | 26% | 0.259 | 8% | 0.077 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 2.3 | 173.9 | 73.1 | 0 | 0 | 0 | 0 | 113.2 | D90 K94 Q110 H112 S113 | D90-S92 VanDerWaalsContact CG-OG 3.25Å; D90-S92 PolarHBondContact O-N 3.2Å; D90-S92 VanDerWaalsContact OD1-CA 3.29Å; D90-S92 WeakPolarHBondContact OD1-CA 3.42Å; D90-S92 WeakPolarHBondContact OD1-CB 3.3Å; D90-S92 PolarHBondContact OD1-N 2.83Å; D90-S92 PolarHBondContact OD1-OG 3.07Å; D90-S92 PolarHBondContact OD2-OG 2.97Å; S92-K94 VanDerWaalsContact C-N 3.33Å; S92-Q110 PolarHBondContact O-NE2 3.42Å; S92-Q110 VanDerWaalsContact O-NE2 3.16Å; S92-H112 VanDerWaalsContact O-O 3.07Å; S92-S113 CarbonylContact O-C 3.54Å; S92-S113 WeakPolarHBondContact O-CA 3.46Å |
| 93 | G | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 80.5 | 11.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | D90 H112 K114 | D90-G93 PolarHBondContact O-N 3.47Å; D90-G93 VanDerWaalsContact O-N 3.09Å; D90-G93 PolarHBondContact OD1-N 2.89Å; G93-H112 WeakPolarHBondContact CA-O 3.44Å; G93-K114 WeakPolarHBondContact CA-O 3.42Å; G93-K114 PolarHBondContact N-O 3.33Å |
| 94 | K | 94.3 | Very high | 92.7 | Very high | 33 Ų | 33 | 15.1 Ų | 15.1 | 14% | 0.143 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 130.1 | 172.9 | -174 | -178.7 | -176.6 | -178.6 | 0 | 109.3 | G89 D90 S92 I96 E108 Q110 | G89-K94 WeakPolarHBondContact CA-O 3.32Å; D90-K94 PolarHBondContact N-O 2.69Å; D90-K94 PolarHBondContact OD1-N 3.15Å; D90-K94 WeakPolarHBondContact OD2-CB 3.21Å; S92-K94 VanDerWaalsContact C-N 3.33Å; K94-I96 HydrophobicContact CD-CD1 4.34Å; K94-I96 HydrophobicContact CD-CG1 4.36Å; K94-I96 HydrophobicContact CG-CG1 4.26Å; K94-E108 WeakPolarHBondContact CE-OE2 3.28Å; K94-E108 IonicContact NZ-OE1 3.21Å; K94-E108 PolarHBondContact NZ-OE1 3.28Å; K94-E108 IonicContact NZ-OE2 3.28Å; K94-E108 PolarHBondContact NZ-OE2 3.06Å; K94-Q110 HydrophobicContact CB-CG 4.44Å |
| 95 | I | 95.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 134.4 | 172.7 | -60.7 | 169.2 | 0 | 0 | 0 | 107.7 | S88 I109 I116 L119 L132 A134 | S88-I95 CarbonylContact O-C 3.5Å; S88-I95 WeakPolarHBondContact O-CA 3.32Å; I95-I109 HydrophobicContact CB-CB 4.26Å; I95-I109 PolarHBondContact N-O 3.4Å; I95-I109 PolarHBondContact O-N 3.04Å; I95-I116 HydrophobicContact CD1-CD1 3.96Å; I95-I116 HydrophobicContact CD1-CG1 4.31Å; I95-I116 HydrophobicContact CG1-CD1 3.97Å; I95-I116 HydrophobicContact CG1-CG1 3.92Å; I95-L119 HydrophobicContact CD1-CD1 4.22Å; I95-L132 HydrophobicContact CG2-CD2 3.97Å; I95-A134 HydrophobicContact CD1-CB 3.6Å |
| 96 | I | 95.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129 | 175.4 | -57.7 | -178 | 0 | 0 | 0 | 107.7 | R59 A87 S88 K94 W98 A105 C107 E108 | R59-I96 HydrophobicContact CB-CD1 4.24Å; R59-I96 HydrophobicContact CG-CD1 4.38Å; A87-I96 CarbonylContact C-O 3.57Å; A87-I96 WeakPolarHBondContact CA-O 3.47Å; S88-I96 PolarHBondContact N-O 2.94Å; S88-I96 PolarHBondContact O-N 3.47Å; K94-I96 HydrophobicContact CD-CD1 4.34Å; K94-I96 HydrophobicContact CD-CG1 4.36Å; K94-I96 HydrophobicContact CG-CG1 4.26Å; I96-W98 HydrophobicContact CB-CZ2 4.11Å; I96-W98 HydrophobicContact CD1-CZ2 4.01Å; I96-W98 HydrophobicContact CG2-CD2 3.78Å; I96-W98 VanDerWaalsContact CG2-CE2 3.4Å; I96-W98 HydrophobicContact CG2-CE3 4.34Å; I96-W98 HydrophobicContact CG2-CG 4.22Å; I96-W98 HydrophobicContact CG2-CH2 4.39Å; I96-W98 HydrophobicContact CG2-CZ2 3.75Å; I96-A105 HydrophobicContact CG2-CB 3.42Å; I96-A105 VanDerWaalsContact CG2-CB 3.42Å; I96-C107 WeakPolarHBondContact CA-O 3.26Å; I96-E108 HydrophobicContact CG1-CG 4.22Å; I96-E108 HydrophobicContact CG2-CG 4.44Å |
| 97 | V | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 129.4 | 166.6 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | L86 A87 A105 H106 C107 W121 L132 | L86-V97 CarbonylContact O-C 3.54Å; L86-V97 WeakPolarHBondContact O-CA 3.29Å; A87-V97 HydrophobicContact CB-CG2 4.42Å; V97-A105 CarbonylContact O-C 3.55Å; V97-H106 HydrophobicContact CG1-CB 4.4Å; V97-H106 WeakPolarHBondContact O-CA 3.19Å; V97-H106 WeakPolarHBondContact O-CB 3.22Å; V97-H106 PolarHBondContact O-N 3.29Å; V97-C107 VanDerWaalsContact CB-SG 3.54Å; V97-C107 WeakPolarHBondContact CG2-SG 2.92Å; V97-C107 PolarHBondContact N-O 3.23Å; V97-C107 PolarHBondContact O-N 3.41Å; V97-W121 HydrophobicContact CG1-CH2 3.98Å; V97-W121 HydrophobicContact CG1-CZ2 4.31Å; V97-W121 HydrophobicContact CG2-CH2 4.27Å; V97-L132 HydrophobicContact CG2-CD2 4.27Å |
| 98 | W | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.008 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 142.8 | -173.8 | -57.1 | 89 | 0 | 0 | 0 | 110.4 | I43 L57 R59 R85 L86 S88 I96 V100 A105 | I43-W98 HydrophobicContact CD1-CZ2 4.13Å; L57-W98 HydrophobicContact CB-CD2 4.28Å; L57-W98 HydrophobicContact CB-CE3 4.02Å; L57-W98 HydrophobicContact CB-CH2 3.89Å; L57-W98 HydrophobicContact CB-CZ2 4.24Å; L57-W98 HydrophobicContact CB-CZ3 3.83Å; L57-W98 HydrophobicContact CD1-CB 4.08Å; L57-W98 HydrophobicContact CD1-CD2 3.87Å; L57-W98 HydrophobicContact CD1-CE3 4.13Å; L57-W98 HydrophobicContact CD1-CG 3.85Å; L57-W98 HydrophobicContact CD2-CE3 4.16Å; L57-W98 HydrophobicContact CD2-CZ3 4.48Å; L57-W98 HydrophobicContact CG-CE3 4.34Å; R59-W98 HydrophobicContact CB-CH2 3.28Å; R59-W98 HydrophobicContact CB-CZ2 4.14Å; R59-W98 HydrophobicContact CB-CZ3 3.94Å; R59-W98 HydrophobicContact CG-CH2 4.46Å; R85-W98 WeakPolarHBondContact CA-O 3.23Å; L86-W98 HydrophobicContact CB-CB 4.34Å; L86-W98 PolarHBondContact N-O 2.89Å; L86-W98 PolarHBondContact O-N 2.69Å; S88-W98 PolarHBondContact OG-NE1 2.96Å; I96-W98 HydrophobicContact CB-CZ2 4.11Å; I96-W98 HydrophobicContact CD1-CZ2 4.01Å; I96-W98 HydrophobicContact CG2-CD2 3.78Å; I96-W98 VanDerWaalsContact CG2-CE2 3.4Å; I96-W98 HydrophobicContact CG2-CE3 4.34Å; I96-W98 HydrophobicContact CG2-CG 4.22Å; I96-W98 HydrophobicContact CG2-CH2 4.39Å; I96-W98 HydrophobicContact CG2-CZ2 3.75Å; W98-V100 HydrophobicContact CB-CG2 4.48Å; W98-A105 HydrophobicContact CE3-CB 4.27Å; W98-A105 HydrophobicContact CZ3-CB 4.44Å |
| 99 | D | 92 | Very high | 92.5 | Very high | 41 Ų | 41 | 22.6 Ų | 22.6 | 22% | 0.219 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 109 | 151.9 | 170.3 | 15.7 | 0 | 0 | 0 | 107.1 | V101 S102 G103 T104 | D99-V101 PolarHBondContact OD1-N 3.29Å; D99-V101 VanDerWaalsContact OD1-N 3.12Å; D99-S102 WeakPolarHBondContact CB-OG 3.48Å; D99-S102 PolarHBondContact O-OG 2.93Å; D99-S102 VanDerWaalsContact OD2-CB 3.22Å; D99-S102 WeakPolarHBondContact OD2-CB 3.39Å; D99-S102 PolarHBondContact OD2-OG 3.3Å; D99-G103 PolarHBondContact O-N 2.97Å; D99-T104 PolarHBondContact N-O 3.45Å; D99-T104 PolarHBondContact O-N 2.78Å |
| 100 | V | 92.1 | Very high | 92.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -41.8 | -175.8 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | I45 Q55 L57 W69 L84 L86 W98 S102 G103 | I45-V100 HydrophobicContact CD1-CG1 4.46Å; I45-V100 HydrophobicContact CG1-CG1 3.89Å; I45-V100 HydrophobicContact CG2-CG1 4.41Å; Q55-V100 PolarHBondContact NE2-O 3.49Å; Q55-V100 PolarHBondContact OE1-O 3.4Å; L57-V100 HydrophobicContact CD1-CG2 4.26Å; W69-V100 HydrophobicContact CH2-CB 4.45Å; W69-V100 HydrophobicContact CH2-CG1 4.34Å; W69-V100 HydrophobicContact CH2-CG2 3.81Å; W69-V100 HydrophobicContact CZ3-CB 4.46Å; W69-V100 HydrophobicContact CZ3-CG2 3.67Å; L84-V100 HydrophobicContact CB-CB 3.92Å; L84-V100 HydrophobicContact CB-CG2 4.49Å; L84-V100 WeakPolarHBondContact O-CG2 3.23Å; L84-V100 PolarHBondContact O-N 3.46Å; L86-V100 HydrophobicContact CB-CG2 3.85Å; W98-V100 HydrophobicContact CB-CG2 4.48Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.49Å; V100-G103 PolarHBondContact O-N 3.01Å |
| 101 | V | 89 | Confident | 91.7 | Very high | 43 Ų | 43 | 30.7 Ų | 30.7 | 26% | 0.261 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -40.1 | -176.4 | -176.8 | 0 | 0 | 0 | 0 | 112 | L84 D99 M834 L848 | L84-V101 HydrophobicContact CB-CG2 4.16Å; L84-V101 HydrophobicContact CD1-CG2 3.92Å; L84-V101 HydrophobicContact CG-CG2 4.27Å; D99-V101 PolarHBondContact OD1-N 3.29Å; D99-V101 VanDerWaalsContact OD1-N 3.12Å; V101-M834 HydrophobicContact CG1-CB 4.27Å; V101-M834 WeakPolarHBondContact O-CG 3.31Å; V101-M834 PolarHBondContact O-N 3.06Å; V101-L848 HydrophobicContact CG2-CD2 4.43Å |
| 102 | S | 86.8 | Confident | 91.1 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -17 | 176.5 | 65.5 | 0 | 0 | 0 | 0 | 114.4 | D99 V100 T104 R833 | D99-S102 WeakPolarHBondContact CB-OG 3.48Å; D99-S102 PolarHBondContact O-OG 2.93Å; D99-S102 VanDerWaalsContact OD2-CB 3.22Å; D99-S102 WeakPolarHBondContact OD2-CB 3.39Å; D99-S102 PolarHBondContact OD2-OG 3.3Å; V100-S102 VanDerWaalsContact C-N 3.27Å; V100-S102 PolarHBondContact O-N 3.49Å; S102-T104 PolarHBondContact O-N 3.09Å; S102-T104 PolarHBondContact OG-OG1 3Å; S102-R833 WeakPolarHBondContact O-CG 3.37Å |
| 103 | G | 87.6 | Confident | 90.9 | Very high | 8 Ų | 8 | 35.5 Ų | 35.5 | 8% | 0.082 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69 | 21.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D99 V100 | D99-G103 PolarHBondContact O-N 2.97Å; V100-G103 PolarHBondContact O-N 3.01Å |
| 104 | T | 90.4 | Very high | 90.8 | Very high | 71 Ų | 71 | 40.7 Ų | 40.7 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 154.5 | -176.5 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | D99 S102 H106 | D99-T104 PolarHBondContact N-O 3.45Å; D99-T104 PolarHBondContact O-N 2.78Å; S102-T104 PolarHBondContact O-N 3.09Å; S102-T104 PolarHBondContact OG-OG1 3Å; T104-H106 PolarHBondContact O-N 2.93Å |
| 105 | A | 92 | Very high | 90.6 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 13% | 0.132 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | I96 V97 W98 E108 | I96-A105 HydrophobicContact CG2-CB 3.42Å; I96-A105 VanDerWaalsContact CG2-CB 3.42Å; V97-A105 CarbonylContact O-C 3.55Å; W98-A105 HydrophobicContact CE3-CB 4.27Å; W98-A105 HydrophobicContact CZ3-CB 4.44Å; A105-E108 HydrophobicContact CB-CG 4.37Å |
| 106 | H | 91.4 | Very high | 90.5 | Very high | 79 Ų | 79 | 41.6 Ų | 41.6 | 37% | 0.366 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -49.2 | 173.7 | -171.6 | 70.2 | 0 | 0 | 0 | 111 | R85 V97 T104 D147 | R85-H106 PolarHBondContact NH1-CD2 2.94Å; R85-H106 PolarHBondContact NH1-NE2 3.17Å; V97-H106 HydrophobicContact CG1-CB 4.4Å; V97-H106 WeakPolarHBondContact O-CA 3.19Å; V97-H106 WeakPolarHBondContact O-CB 3.22Å; V97-H106 PolarHBondContact O-N 3.29Å; T104-H106 PolarHBondContact O-N 2.93Å; H106-D147 PolarHBondContact CD2-O 3.44Å; H106-D147 IonicContact CD2-OD1 3.62Å; H106-D147 IonicContact CE1-OD1 3.88Å; H106-D147 PolarHBondContact NE2-O 2.92Å; H106-D147 IonicContact NE2-OD1 2.73Å; H106-D147 PolarHBondContact NE2-OD1 3.12Å |
| 107 | C | 92.2 | Very high | 90.2 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.1 | 172.8 | 79.7 | 0 | 0 | 0 | 0 | 112.3 | I96 V97 G146 | I96-C107 WeakPolarHBondContact CA-O 3.26Å; V97-C107 VanDerWaalsContact CB-SG 3.54Å; V97-C107 WeakPolarHBondContact CG2-SG 2.92Å; V97-C107 PolarHBondContact N-O 3.23Å; V97-C107 PolarHBondContact O-N 3.41Å; C107-G146 PolarHBondContact SG-O 2.93Å |
| 108 | E | 93.3 | Very high | 90.1 | Very high | 80 Ų | 80 | 45.6 Ų | 45.6 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.8 | 174.7 | -60.1 | -170.6 | 160.8 | 0 | 0 | 109.8 | R59 K94 I96 A105 | R59-E108 IonicContact CZ-OE1 2.77Å; R59-E108 IonicContact NE-OE1 2.83Å; R59-E108 PolarHBondContact NE-OE1 2.94Å; R59-E108 IonicContact NH2-OE1 2.77Å; R59-E108 PolarHBondContact NH2-OE1 3.11Å; K94-E108 WeakPolarHBondContact CE-OE2 3.28Å; K94-E108 IonicContact NZ-OE1 3.21Å; K94-E108 PolarHBondContact NZ-OE1 3.28Å; K94-E108 IonicContact NZ-OE2 3.28Å; K94-E108 PolarHBondContact NZ-OE2 3.06Å; I96-E108 HydrophobicContact CG1-CG 4.22Å; I96-E108 HydrophobicContact CG2-CG 4.44Å; A105-E108 HydrophobicContact CB-CG 4.37Å |
| 109 | I | 93.6 | Very high | 90 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 130.9 | -173.5 | -57.3 | 167.5 | 0 | 0 | 0 | 108.1 | I95 W144 | I95-I109 HydrophobicContact CB-CB 4.26Å; I95-I109 PolarHBondContact N-O 3.4Å; I95-I109 PolarHBondContact O-N 3.04Å; I109-W144 HydrophobicContact CD1-CB 4.15Å; I109-W144 HydrophobicContact CD1-CD2 4.3Å; I109-W144 HydrophobicContact CD1-CE3 4.32Å; I109-W144 HydrophobicContact CD1-CG 4.23Å; I109-W144 HydrophobicContact CG2-CD2 3.62Å; I109-W144 HydrophobicContact CG2-CE3 3.51Å; I109-W144 HydrophobicContact CG2-CG 4.44Å; I109-W144 HydrophobicContact CG2-CH2 3.5Å; I109-W144 HydrophobicContact CG2-CZ2 3.59Å; I109-W144 HydrophobicContact CG2-CZ3 3.43Å; I109-W144 VanDerWaalsContact CG2-CZ3 3.43Å |
| 110 | Q | 90.1 | Very high | 90 | Very high | 113 Ų | 113 | 45.3 Ų | 45.3 | 53% | 0.528 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 121.4 | 172.9 | -170.6 | 171.2 | 18.7 | 0 | 0 | 110.2 | S92 K94 | S92-Q110 PolarHBondContact O-NE2 3.42Å; S92-Q110 VanDerWaalsContact O-NE2 3.16Å; K94-Q110 HydrophobicContact CB-CG 4.44Å |
| 111 | E | 82.7 | Confident | 90 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 27% | 0.271 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -108.9 | -36.6 | 175.6 | 179.4 | 91.4 | 170.8 | 0 | 0 | 111.2 | W144 K151 K154 | E111-W144 HydrophobicContact CB-CH2 4.23Å; E111-W144 HydrophobicContact CB-CZ2 4.07Å; E111-K151 VanDerWaalsContact CD-NZ 3.26Å; E111-K151 IonicContact OE1-NZ 3.91Å; E111-K151 PolarHBondContact OE1-NZ 3.14Å; E111-K151 IonicContact OE2-NZ 3.09Å; E111-K151 PolarHBondContact OE2-NZ 3.45Å; E111-K154 IonicContact OE1-NZ 3.43Å; E111-K154 PolarHBondContact OE1-NZ 2.98Å |
| 112 | H | 81.9 | Confident | 89.8 | Confident | 56 Ų | 56 | 44 Ų | 44 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | trans | -136.4 | 165.1 | -176.2 | -63.6 | 96 | 0 | 0 | 0 | 111.4 | S92 G93 | S92-H112 VanDerWaalsContact O-O 3.07Å; G93-H112 WeakPolarHBondContact CA-O 3.44Å | ||
| 113 | S | 87.4 | Confident | 89.2 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -97 | 22.2 | -179.9 | 56.3 | 0 | 0 | 0 | 0 | 114.5 | S92 | S92-S113 CarbonylContact O-C 3.54Å; S92-S113 WeakPolarHBondContact O-CA 3.46Å |
| 114 | K | 90.1 | Very high | 88.2 | Confident | 109 Ų | 109 | 46.6 Ų | 46.6 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -116.6 | 152.8 | -176.5 | -71.6 | -169.6 | 179.2 | -177.6 | 0 | 111.3 | G93 I116 P137 | G93-K114 WeakPolarHBondContact CA-O 3.42Å; G93-K114 PolarHBondContact N-O 3.33Å; K114-I116 PolarHBondContact O-N 2.91Å; K114-P137 HydrophobicContact CB-CB 4.16Å; K114-P137 HydrophobicContact CB-CG 3.9Å; K114-P137 HydrophobicContact CD-CB 4.09Å |
| 115 | P | 89.4 | Confident | 86.9 | Confident | 52 Ų | 52 | 44 Ų | 44 | 34% | 0.338 | 22% | 0.223 | S | C | . | . | trans | -61.5 | 131.4 | -175.6 | 24.9 | -36 | 0 | 0 | 0 | 112 | V65 A91 Q117 P137 | V65-P115 HydrophobicContact CG2-CB 4.48Å; A91-P115 HydrophobicContact CB-CB 4.45Å; A91-P115 WeakPolarHBondContact O-CA 3.45Å; P115-Q117 PolarHBondContact O-N 3.46Å; P115-Q117 PolarHBondContact O-NE2 2.92Å; P115-P137 WeakPolarHBondContact O-CD 3.22Å; P115-P137 WeakPolarHBondContact O-CG 3.49Å | ||
| 116 | I | 92.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -59.8 | 128.2 | 173.8 | -57.2 | -56.7 | 0 | 0 | 0 | 109.4 | I95 K114 H136 | I95-I116 HydrophobicContact CD1-CD1 3.96Å; I95-I116 HydrophobicContact CD1-CG1 4.31Å; I95-I116 HydrophobicContact CG1-CD1 3.97Å; I95-I116 HydrophobicContact CG1-CG1 3.92Å; K114-I116 PolarHBondContact O-N 2.91Å; I116-H136 VanDerWaalsContact CD1-CE1 3.43Å; I116-H136 WeakPolarHBondContact CD1-CE1 3.23Å; I116-H136 VanDerWaalsContact CD1-ND1 3.33Å; I116-H136 WeakPolarHBondContact CD1-ND1 3.46Å | ||
| 117 | Q | 91.1 | Very high | 83.6 | Confident | 67 Ų | 67 | 43.9 Ų | 43.9 | 31% | 0.313 | 23% | 0.23 | S | C | . | . | trans | -81.9 | -45.5 | -179.4 | -66.3 | -58.1 | -47.6 | 0 | 0 | 111.5 | K66 P115 V135 P137 | K66-Q117 WeakPolarHBondContact CE-O 3.43Å; P115-Q117 PolarHBondContact O-N 3.46Å; P115-Q117 PolarHBondContact O-NE2 2.92Å; Q117-V135 HydrophobicContact CB-CB 4.35Å; Q117-V135 HydrophobicContact CB-CG1 4.04Å; Q117-V135 PolarHBondContact N-O 3.39Å; Q117-V135 VanDerWaalsContact N-O 3.14Å; Q117-P137 HydrophobicContact CG-CG 3.92Å | ||
| 118 | D | 91.6 | Very high | 82.3 | Confident | 17 Ų | 17 | 45.2 Ų | 45.2 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 156.2 | -178 | -146.7 | 9.1 | 0 | 0 | 0 | 112 | K66 V135 F164 | K66-D118 IonicContact NZ-OD1 2.83Å; K66-D118 PolarHBondContact NZ-OD1 3Å; D118-V135 HydrophobicContact CB-CB 4.32Å; D118-V135 HydrophobicContact CB-CG2 4.33Å; D118-V135 PolarHBondContact O-N 3.14Å; D118-F164 HydrophobicContact CB-CD1 3.81Å; D118-F164 HydrophobicContact CB-CE1 3.67Å; D118-F164 PolarHBondContact OD2-N 3.03Å |
| 119 | L | 93.2 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 134.6 | -171.4 | -168.9 | 71.1 | 0 | 0 | 0 | 108.5 | K66 K68 A87 I95 L132 L133 A134 | K66-L119 HydrophobicContact CB-CB 4.4Å; K68-L119 HydrophobicContact CB-CD2 4.43Å; K68-L119 WeakPolarHBondContact CE-O 3.47Å; K68-L119 HydrophobicContact CG-CB 4.38Å; K68-L119 VanDerWaalsContact CG-O 3.28Å; K68-L119 WeakPolarHBondContact CG-O 3.49Å; A87-L119 HydrophobicContact CB-CD2 3.77Å; I95-L119 HydrophobicContact CD1-CD1 4.22Å; L119-L132 HydrophobicContact CD1-CD1 3.68Å; L119-L132 HydrophobicContact CD1-CD2 3.99Å; L119-L132 HydrophobicContact CD1-CG 3.78Å; L119-L132 HydrophobicContact CD2-CD1 4.36Å; L119-L132 HydrophobicContact CG-CD1 3.82Å; L119-L132 HydrophobicContact CG-CG 4.47Å; L119-L133 WeakPolarHBondContact CA-O 3.5Å; L119-A134 HydrophobicContact CD1-CB 3.83Å |
| 120 | E | 92.1 | Very high | 80.7 | Confident | 38 Ų | 38 | 47 Ų | 47 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 139.8 | 175 | -170.4 | 71.2 | -168.3 | 0 | 0 | 110.3 | K68 R71 L133 F164 | K68-E120 VanDerWaalsContact CE-OE2 3.3Å; K68-E120 WeakPolarHBondContact CE-OE2 3.32Å; K68-E120 IonicContact NZ-OE2 3.7Å; K68-E120 PolarHBondContact NZ-OE2 3.47Å; R71-E120 IonicContact CZ-OE1 2.92Å; R71-E120 IonicContact NE-OE1 3.11Å; R71-E120 IonicContact NH2-OE1 2.79Å; R71-E120 PolarHBondContact NH2-OE1 3.02Å; E120-L133 PolarHBondContact N-O 3.15Å; E120-L133 VanDerWaalsContact N-O 3.08Å; E120-L133 PolarHBondContact O-N 3.4Å; E120-F164 HydrophobicContact CB-CE2 3.73Å; E120-F164 HydrophobicContact CB-CZ 3.5Å; E120-F164 VanDerWaalsContact CB-CZ 3.5Å; E120-F164 HydrophobicContact CG-CE2 4.48Å |
| 121 | W | 91.1 | Very high | 80.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 137.1 | 170.6 | -66.8 | 94.7 | 0 | 0 | 0 | 110.4 | K68 W69 A87 V97 D130 L131 L132 | K68-W121 PolarHBondContact O-NE1 3.1Å; W69-W121 VanDerWaalsContact C-CD1 3.42Å; W69-W121 PolarHBondContact O-NE1 2.69Å; A87-W121 HydrophobicContact CB-CH2 4.5Å; A87-W121 HydrophobicContact CB-CZ2 3.53Å; V97-W121 HydrophobicContact CG1-CH2 3.98Å; V97-W121 HydrophobicContact CG1-CZ2 4.31Å; V97-W121 HydrophobicContact CG2-CH2 4.27Å; W121-D130 HydrophobicContact CZ3-CB 3.91Å; W121-L131 WeakPolarHBondContact CA-O 3.27Å; W121-L132 HydrophobicContact CD2-CD1 3.78Å; W121-L132 HydrophobicContact CE3-CB 4.17Å; W121-L132 HydrophobicContact CE3-CD1 4.14Å; W121-L132 HydrophobicContact CG-CD1 4.09Å; W121-L132 HydrophobicContact CZ2-CD1 4.34Å; W121-L132 HydrophobicContact CZ3-CB 4.16Å |
| 122 | L | 86.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 39.1 Ų | 39.1 | 6% | 0.063 | 21% | 0.207 | C | C | . | . | trans | -73.4 | 139.4 | 175.5 | -59 | -175.1 | 0 | 0 | 0 | 110.8 | Q125 L131 L133 L143 F166 F188 | L122-Q125 PolarHBondContact O-NE2 3.43Å; L122-L131 HydrophobicContact CB-CB 4.05Å; L122-L131 HydrophobicContact CD1-CB 3.84Å; L122-L131 HydrophobicContact CD1-CD1 4Å; L122-L131 HydrophobicContact CG-CB 4.06Å; L122-L131 PolarHBondContact N-O 3.42Å; L122-L133 HydrophobicContact CD2-CB 4.42Å; L122-L143 HydrophobicContact CD1-CD1 3.68Å; L122-L143 HydrophobicContact CG-CD1 4.31Å; L122-F166 HydrophobicContact CD2-CE1 4.34Å; L122-F166 HydrophobicContact CD2-CE2 3.63Å; L122-F166 HydrophobicContact CD2-CZ 3.46Å; L122-F166 VanDerWaalsContact CD2-CZ 3.46Å; L122-F188 HydrophobicContact CD1-CE1 4.03Å; L122-F188 HydrophobicContact CD1-CZ 4.02Å; L122-F188 HydrophobicContact CD2-CE1 4.1Å; L122-F188 HydrophobicContact CD2-CZ 4Å | ||
| 123 | W | 73.9 | Confident | 81.6 | Confident | 55 Ų | 55 | 36.5 Ų | 36.5 | 21% | 0.208 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -92.4 | -15 | -178.6 | 54.2 | -87 | 0 | 0 | 0 | 113.6 | N73 Q125 P171 | N73-W123 PolarHBondContact ND2-O 2.96Å; W123-Q125 PolarHBondContact O-N 2.99Å; W123-Q125 VanDerWaalsContact O-N 3.16Å; W123-P171 HydrophobicContact CH2-CB 3.95Å; W123-P171 HydrophobicContact CH2-CG 4Å; W123-P171 HydrophobicContact CZ2-CB 3.55Å; W123-P171 HydrophobicContact CZ2-CG 4.12Å |
| 124 | N | 66.1 | Low | 81.9 | Confident | 32 Ų | 32 | 31.7 Ų | 31.7 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | trans | -88.9 | 76 | 179 | -163.1 | 22.3 | 0 | 0 | 0 | 110.3 | P171 Q1126 | N124-P171 HydrophobicContact CB-CB 4.4Å; N124-Q1126 PolarHBondContact ND2-NE2 3.07Å | ||
| 125 | Q | 62.9 | Low | 82 | Confident | 16 Ų | 16 | 26.5 Ų | 26.5 | 8% | 0.075 | 14% | 0.139 | C | C | . | . | trans | -93 | 2.9 | -165.9 | -67.5 | -168.2 | 6.9 | 0 | 0 | 115.5 | R71 L122 W123 A127 S128 R129 | R71-Q125 PolarHBondContact O-NE2 2.91Å; L122-Q125 PolarHBondContact O-NE2 3.43Å; W123-Q125 PolarHBondContact O-N 2.99Å; W123-Q125 VanDerWaalsContact O-N 3.16Å; Q125-A127 PolarHBondContact O-N 3.3Å; Q125-S128 CarbonylContact O-C 3.58Å; Q125-S128 PolarHBondContact O-N 3.31Å; Q125-S128 VanDerWaalsContact O-N 3.16Å; Q125-R129 PolarHBondContact NE2-O 2.91Å; Q125-R129 VanDerWaalsContact NE2-O 3.12Å; Q125-R129 PolarHBondContact OE1-O 3.4Å | ||
| 126 | D | 60.1 | Low | 82.1 | Confident | 44 Ų | 44 | 24 Ų | 24 | 24% | 0.235 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -60 | -17.7 | -179 | -77 | -26.3 | 0 | 0 | 0 | 112.5 | N1125 Q1126 K1127 S1128 | D126-N1125 VanDerWaalsContact C-ND2 3.29Å; D126-N1125 WeakPolarHBondContact CB-O 3.36Å; D126-N1125 PolarHBondContact O-ND2 3.11Å; D126-Q1126 WeakPolarHBondContact OD2-CA 3.39Å; D126-K1127 PolarHBondContact OD2-N 3.46Å; D126-S1128 PolarHBondContact OD2-N 2.81Å; D126-S1128 PolarHBondContact OD2-OG 2.63Å |
| 127 | A | 53.2 | Low | 81.7 | Confident | 49 Ų | 49 | 24.7 Ų | 24.7 | 41% | 0.405 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -95.4 | -39.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q125 Y190 | Q125-A127 PolarHBondContact O-N 3.3Å; A127-Y190 HydrophobicContact CB-CD2 4.34Å; A127-Y190 HydrophobicContact CB-CE1 4.28Å; A127-Y190 HydrophobicContact CB-CE2 3.78Å |
| 128 | S | 66.4 | Low | 81.3 | Confident | 42 Ų | 42 | 24 Ų | 24 | 29% | 0.294 | 13% | 0.128 | S | C | . | . | trans | -164.5 | 141.2 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 110.7 | Q125 L131 | Q125-S128 CarbonylContact O-C 3.58Å; Q125-S128 PolarHBondContact O-N 3.31Å; Q125-S128 VanDerWaalsContact O-N 3.16Å; S128-L131 VanDerWaalsContact OG-CD1 3.28Å; S128-L131 WeakPolarHBondContact OG-CD1 3.31Å; S128-L131 VanDerWaalsContact OG-CD2 3.24Å; S128-L131 WeakPolarHBondContact OG-CD2 3.35Å; S128-L131 WeakPolarHBondContact OG-CG 3.01Å | ||
| 129 | R | 70.5 | Confident | 81.1 | Confident | 103 Ų | 103 | 24.3 Ų | 24.3 | 39% | 0.389 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -69.5 | -42.9 | -172 | -58.1 | 175.8 | -168.7 | 160 | 5.7 | 112.7 | S79 S80 Q125 L131 | S79-R129 PolarHBondContact O-NH1 3.14Å; S79-R129 VanDerWaalsContact O-NH1 3.15Å; S80-R129 VanDerWaalsContact CB-CZ 3.41Å; Q125-R129 PolarHBondContact NE2-O 2.91Å; Q125-R129 VanDerWaalsContact NE2-O 3.12Å; Q125-R129 PolarHBondContact OE1-O 3.4Å; R129-L131 PolarHBondContact O-N 3.5Å |
| 130 | D | 81.4 | Confident | 81 | Confident | 21 Ų | 21 | 27.3 Ų | 27.3 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | trans | -108.5 | 59.9 | -166.4 | -61.5 | -47.9 | 0 | 0 | 0 | 112.4 | R85 W121 N145 G146 D147 | R85-D130 WeakPolarHBondContact CD-OD1 3.39Å; R85-D130 IonicContact CZ-OD2 2.76Å; R85-D130 VanDerWaalsContact CZ-OD2 3.23Å; R85-D130 IonicContact NE-OD1 3.9Å; R85-D130 IonicContact NE-OD2 2.68Å; R85-D130 IonicContact NH1-OD1 3.05Å; R85-D130 IonicContact NH1-OD2 3.13Å; R85-D130 PolarHBondContact NH1-OD2 3.23Å; R85-D130 IonicContact NH2-OD2 3.89Å; W121-D130 HydrophobicContact CZ3-CB 3.91Å; D130-N145 CarbonylContact O-C 3.6Å; D130-G146 WeakPolarHBondContact O-CA 3.42Å; D130-G146 PolarHBondContact O-N 3.17Å; D130-D147 HydrophobicContact CB-CB 4.1Å | ||
| 131 | L | 89.4 | Confident | 81 | Confident | 5 Ų | 5 | 25.5 Ų | 25.5 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.9 | 173 | -66 | -178.4 | 0 | 0 | 0 | 111.3 | W121 L122 S128 R129 L143 L152 | W121-L131 WeakPolarHBondContact CA-O 3.27Å; L122-L131 HydrophobicContact CB-CB 4.05Å; L122-L131 HydrophobicContact CD1-CB 3.84Å; L122-L131 HydrophobicContact CD1-CD1 4Å; L122-L131 HydrophobicContact CG-CB 4.06Å; L122-L131 PolarHBondContact N-O 3.42Å; S128-L131 VanDerWaalsContact OG-CD1 3.28Å; S128-L131 WeakPolarHBondContact OG-CD1 3.31Å; S128-L131 VanDerWaalsContact OG-CD2 3.24Å; S128-L131 WeakPolarHBondContact OG-CD2 3.35Å; S128-L131 WeakPolarHBondContact OG-CG 3.01Å; R129-L131 PolarHBondContact O-N 3.5Å; L131-L143 HydrophobicContact CB-CD1 4.38Å; L131-L152 HydrophobicContact CD2-CD1 3.49Å; L131-L152 VanDerWaalsContact CD2-CD1 3.49Å |
| 132 | L | 92.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 118.7 | -174.9 | -174.9 | 65 | 0 | 0 | 0 | 110.6 | A87 I95 V97 L119 W121 W144 | A87-L132 HydrophobicContact CB-CD1 3.99Å; A87-L132 HydrophobicContact CB-CD2 3.86Å; I95-L132 HydrophobicContact CG2-CD2 3.97Å; V97-L132 HydrophobicContact CG2-CD2 4.27Å; L119-L132 HydrophobicContact CD1-CD1 3.68Å; L119-L132 HydrophobicContact CD1-CD2 3.99Å; L119-L132 HydrophobicContact CD1-CG 3.78Å; L119-L132 HydrophobicContact CD2-CD1 4.36Å; L119-L132 HydrophobicContact CG-CD1 3.82Å; L119-L132 HydrophobicContact CG-CG 4.47Å; W121-L132 HydrophobicContact CD2-CD1 3.78Å; W121-L132 HydrophobicContact CE3-CB 4.17Å; W121-L132 HydrophobicContact CE3-CD1 4.14Å; W121-L132 HydrophobicContact CG-CD1 4.09Å; W121-L132 HydrophobicContact CZ2-CD1 4.34Å; W121-L132 HydrophobicContact CZ3-CB 4.16Å; L132-W144 HydrophobicContact CB-CB 4.42Å; L132-W144 PolarHBondContact N-O 3.28Å; L132-W144 PolarHBondContact O-N 3.38Å |
| 133 | L | 92.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.9 | 174.7 | -165.4 | 74.8 | 0 | 0 | 0 | 109.8 | L119 E120 L122 I141 L143 W153 F164 F166 M174 F188 | L119-L133 WeakPolarHBondContact CA-O 3.5Å; E120-L133 PolarHBondContact N-O 3.15Å; E120-L133 VanDerWaalsContact N-O 3.08Å; E120-L133 PolarHBondContact O-N 3.4Å; L122-L133 HydrophobicContact CD2-CB 4.42Å; L133-I141 HydrophobicContact CD1-CG2 3.44Å; L133-I141 VanDerWaalsContact CD1-CG2 3.44Å; L133-I141 HydrophobicContact CD2-CG2 3.99Å; L133-I141 HydrophobicContact CG-CG2 3.78Å; L133-L143 HydrophobicContact CB-CD1 4.37Å; L133-L143 HydrophobicContact CD1-CB 4.07Å; L133-L143 HydrophobicContact CD1-CD1 3.93Å; L133-W153 HydrophobicContact CD1-CH2 4.11Å; L133-F164 HydrophobicContact CB-CZ 4.49Å; L133-F164 HydrophobicContact CD2-CD2 4.32Å; L133-F164 HydrophobicContact CD2-CE2 3.82Å; L133-F164 HydrophobicContact CD2-CZ 4.03Å; L133-F166 HydrophobicContact CD2-CE2 3.95Å; L133-F166 HydrophobicContact CD2-CZ 3.73Å; L133-M174 HydrophobicContact CD2-SD 4.03Å; L133-F188 HydrophobicContact CD1-CE2 4.14Å; L133-F188 HydrophobicContact CD1-CZ 4.35Å; L133-F188 HydrophobicContact CD2-CE2 4.21Å; L133-F188 HydrophobicContact CD2-CZ 4.49Å |
| 134 | A | 93.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I95 L119 V142 | I95-A134 HydrophobicContact CD1-CB 3.6Å; L119-A134 HydrophobicContact CD1-CB 3.83Å; A134-V142 PolarHBondContact N-O 2.97Å; A134-V142 PolarHBondContact O-N 3.04Å |
| 135 | V | 92.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.1 | 171.8 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | Q117 D118 Y140 I141 I161 F164 | Q117-V135 HydrophobicContact CB-CB 4.35Å; Q117-V135 HydrophobicContact CB-CG1 4.04Å; Q117-V135 PolarHBondContact N-O 3.39Å; Q117-V135 VanDerWaalsContact N-O 3.14Å; D118-V135 HydrophobicContact CB-CB 4.32Å; D118-V135 HydrophobicContact CB-CG2 4.33Å; D118-V135 PolarHBondContact O-N 3.14Å; V135-Y140 WeakPolarHBondContact CA-O 3.41Å; V135-I141 HydrophobicContact CG2-CG1 4.37Å; V135-I161 HydrophobicContact CG1-CB 3.85Å; V135-I161 HydrophobicContact CG1-CG2 3.77Å; V135-I161 HydrophobicContact CG2-CG2 4.45Å; V135-F164 HydrophobicContact CG2-CD1 3.36Å; V135-F164 HydrophobicContact CG2-CE1 3.55Å; V135-F164 HydrophobicContact CG2-CG 4.4Å |
| 136 | H | 91.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.6 | 176.9 | -65.5 | -89.8 | 0 | 0 | 0 | 110.2 | I116 N139 Y140 W144 | I116-H136 VanDerWaalsContact CD1-CE1 3.43Å; I116-H136 WeakPolarHBondContact CD1-CE1 3.23Å; I116-H136 VanDerWaalsContact CD1-ND1 3.33Å; I116-H136 WeakPolarHBondContact CD1-ND1 3.46Å; H136-N139 PolarHBondContact O-N 3.34Å; H136-Y140 PolarHBondContact N-O 3.47Å; H136-Y140 PolarHBondContact O-N 3.06Å; H136-W144 AromaticContact NE2-NE1 3.54Å |
| 137 | P | 83.7 | Confident | 85.9 | Confident | 14 Ų | 14 | 23.3 Ų | 23.3 | 9% | 0.091 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 148.9 | 173.5 | -15.2 | 23.6 | 0 | 0 | 0 | 111.8 | K114 P115 Q117 | K114-P137 HydrophobicContact CB-CB 4.16Å; K114-P137 HydrophobicContact CB-CG 3.9Å; K114-P137 HydrophobicContact CD-CB 4.09Å; P115-P137 WeakPolarHBondContact O-CD 3.22Å; P115-P137 WeakPolarHBondContact O-CG 3.49Å; Q117-P137 HydrophobicContact CG-CG 3.92Å |
| 138 | P | 81.3 | Confident | 87.6 | Confident | 51 Ų | 51 | 24.9 Ų | 24.9 | 33% | 0.331 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.1 | -34.4 | -1.8 | 22.2 | -21 | 0 | 0 | 0 | 114.1 | N160 I161 | P138-N160 VanDerWaalsContact CB-OD1 3.23Å; P138-N160 WeakPolarHBondContact CB-OD1 3.2Å; P138-N160 VanDerWaalsContact O-CA 3.23Å; P138-N160 WeakPolarHBondContact O-CA 3.29Å; P138-I161 PolarHBondContact O-N 3.25Å |
| 139 | N | 88.3 | Confident | 88.6 | Confident | 24 Ų | 24 | 23.8 Ų | 23.8 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.3 | 23.3 | -159.7 | 58.6 | -9.8 | 0 | 0 | 0 | 113.6 | H136 Y157 E159 | H136-N139 PolarHBondContact O-N 3.34Å; N139-Y157 WeakPolarHBondContact CB-O 3.36Å; N139-Y157 VanDerWaalsContact CG-O 3.24Å; N139-Y157 PolarHBondContact ND2-O 3.45Å; N139-Y157 PolarHBondContact O-N 3.21Å; N139-E159 WeakPolarHBondContact CB-O 3.2Å |
| 140 | Y | 90.6 | Very high | 89.6 | Confident | 63 Ų | 63 | 22.2 Ų | 22.2 | 25% | 0.247 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 138.7 | -176.3 | -62 | -72.8 | 0 | 0 | 0 | 112.1 | V135 H136 K154 K155 S156 | V135-Y140 WeakPolarHBondContact CA-O 3.41Å; H136-Y140 PolarHBondContact N-O 3.47Å; H136-Y140 PolarHBondContact O-N 3.06Å; Y140-K154 HydrophobicContact CD1-CD 4.42Å; Y140-K154 HydrophobicContact CD1-CG 4.33Å; Y140-K155 WeakPolarHBondContact CA-O 3.45Å; Y140-S156 WeakPolarHBondContact CE1-OG 3.34Å |
| 141 | I | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.1 | 164.5 | -56.7 | -174 | 0 | 0 | 0 | 107.6 | L133 V135 W153 K154 K155 Y157 I161 M174 L176 | L133-I141 HydrophobicContact CD1-CG2 3.44Å; L133-I141 VanDerWaalsContact CD1-CG2 3.44Å; L133-I141 HydrophobicContact CD2-CG2 3.99Å; L133-I141 HydrophobicContact CG-CG2 3.78Å; V135-I141 HydrophobicContact CG2-CG1 4.37Å; I141-W153 HydrophobicContact CG2-CH2 4.44Å; I141-W153 HydrophobicContact CG2-CZ3 4.35Å; I141-K154 WeakPolarHBondContact O-CA 3.33Å; I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 3.43Å; I141-Y157 HydrophobicContact CB-CE2 4.36Å; I141-Y157 HydrophobicContact CD1-CD2 4.26Å; I141-Y157 HydrophobicContact CD1-CE2 3.64Å; I141-Y157 HydrophobicContact CG1-CD2 4.23Å; I141-Y157 HydrophobicContact CG1-CE2 3.89Å; I141-I161 HydrophobicContact CD1-CD1 4.02Å; I141-I161 HydrophobicContact CG1-CD1 3.72Å; I141-M174 HydrophobicContact CD1-CE 3.92Å; I141-L176 HydrophobicContact CD1-CD1 3.81Å; I141-L176 HydrophobicContact CD1-CD2 3.64Å; I141-L176 HydrophobicContact CD1-CG 4.37Å |
| 142 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.6 | 179.2 | -171 | 0 | 0 | 0 | 0 | 109.2 | A134 W144 K151 W153 K154 | A134-V142 PolarHBondContact N-O 2.97Å; A134-V142 PolarHBondContact O-N 3.04Å; V142-W144 HydrophobicContact CB-CZ2 4.23Å; V142-W144 HydrophobicContact CG1-CD2 3.99Å; V142-W144 HydrophobicContact CG1-CG 4.4Å; V142-W144 HydrophobicContact CG1-CH2 4.3Å; V142-W144 HydrophobicContact CG1-CZ2 3.53Å; V142-K151 HydrophobicContact CG1-CD 3.67Å; V142-K151 HydrophobicContact CG1-CG 3.7Å; V142-W153 WeakPolarHBondContact CG1-O 3.5Å; V142-K154 HydrophobicContact CG2-CB 4.23Å; V142-K154 HydrophobicContact CG2-CD 4.32Å; V142-K154 HydrophobicContact CG2-CG 3.98Å |
| 143 | L | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125 | 172.3 | -174.9 | 68.1 | 0 | 0 | 0 | 109.5 | L122 L131 L133 L152 W153 | L122-L143 HydrophobicContact CD1-CD1 3.68Å; L122-L143 HydrophobicContact CG-CD1 4.31Å; L131-L143 HydrophobicContact CB-CD1 4.38Å; L133-L143 HydrophobicContact CB-CD1 4.37Å; L133-L143 HydrophobicContact CD1-CB 4.07Å; L133-L143 HydrophobicContact CD1-CD1 3.93Å; L143-L152 HydrophobicContact CB-CB 4.48Å; L143-L152 HydrophobicContact CD2-CB 4.33Å; L143-L152 HydrophobicContact CD2-CD1 3.84Å; L143-L152 HydrophobicContact CG-CB 4.39Å; L143-L152 HydrophobicContact CG-CD1 4.06Å; L143-L152 PolarHBondContact O-N 3.42Å; L143-W153 HydrophobicContact CB-CD2 3.96Å; L143-W153 HydrophobicContact CB-CE3 4.41Å; L143-W153 HydrophobicContact CB-CG 4.45Å; L143-W153 HydrophobicContact CB-CH2 4.2Å; L143-W153 HydrophobicContact CB-CZ2 3.74Å; L143-W153 HydrophobicContact CD2-CZ2 3.92Å; L143-W153 VanDerWaalsContact CD2-NE1 3.31Å; L143-W153 HydrophobicContact CG-CZ2 4.39Å; L143-W153 PolarHBondContact N-O 3.06Å |
| 144 | W | 92.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 5% | 0.045 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 147.2 | -179 | -57.8 | 95.9 | 0 | 0 | 0 | 110.6 | I109 E111 L132 H136 V142 T150 K151 | I109-W144 HydrophobicContact CD1-CB 4.15Å; I109-W144 HydrophobicContact CD1-CD2 4.3Å; I109-W144 HydrophobicContact CD1-CE3 4.32Å; I109-W144 HydrophobicContact CD1-CG 4.23Å; I109-W144 HydrophobicContact CG2-CD2 3.62Å; I109-W144 HydrophobicContact CG2-CE3 3.51Å; I109-W144 HydrophobicContact CG2-CG 4.44Å; I109-W144 HydrophobicContact CG2-CH2 3.5Å; I109-W144 HydrophobicContact CG2-CZ2 3.59Å; I109-W144 HydrophobicContact CG2-CZ3 3.43Å; I109-W144 VanDerWaalsContact CG2-CZ3 3.43Å; E111-W144 HydrophobicContact CB-CH2 4.23Å; E111-W144 HydrophobicContact CB-CZ2 4.07Å; L132-W144 HydrophobicContact CB-CB 4.42Å; L132-W144 PolarHBondContact N-O 3.28Å; L132-W144 PolarHBondContact O-N 3.38Å; H136-W144 AromaticContact NE2-NE1 3.54Å; V142-W144 HydrophobicContact CB-CZ2 4.23Å; V142-W144 HydrophobicContact CG1-CD2 3.99Å; V142-W144 HydrophobicContact CG1-CG 4.4Å; V142-W144 HydrophobicContact CG1-CH2 4.3Å; V142-W144 HydrophobicContact CG1-CZ2 3.53Å; W144-T150 WeakPolarHBondContact CA-O 3.48Å; W144-K151 HydrophobicContact CE3-CB 3.82Å; W144-K151 HydrophobicContact CE3-CG 4.44Å; W144-K151 HydrophobicContact CH2-CB 4.1Å; W144-K151 HydrophobicContact CH2-CD 4.03Å; W144-K151 HydrophobicContact CH2-CG 4.34Å; W144-K151 HydrophobicContact CZ2-CD 4.45Å; W144-K151 HydrophobicContact CZ3-CB 3.52Å; W144-K151 HydrophobicContact CZ3-CD 4.33Å; W144-K151 HydrophobicContact CZ3-CG 4.19Å |
| 145 | N | 90.9 | Very high | 90.1 | Very high | 36 Ų | 36 | 36.1 Ų | 36.1 | 19% | 0.193 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 106.6 | 159.7 | 179.9 | -15.2 | 0 | 0 | 0 | 107.7 | D130 D147 T148 G149 T150 | D130-N145 CarbonylContact O-C 3.6Å; N145-D147 PolarHBondContact O-N 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.39Å; N145-D147 PolarHBondContact OD1-N 3.45Å; N145-T148 VanDerWaalsContact CG-OG1 3.26Å; N145-T148 PolarHBondContact ND2-OG1 2.77Å; N145-T148 PolarHBondContact O-N 3Å; N145-T148 PolarHBondContact OD1-N 3.14Å; N145-G149 VanDerWaalsContact O-CA 3.24Å; N145-G149 WeakPolarHBondContact O-CA 3.46Å; N145-G149 PolarHBondContact O-N 3.01Å; N145-T150 PolarHBondContact N-O 3.09Å; N145-T150 PolarHBondContact O-N 2.87Å |
| 146 | G | 87.1 | Confident | 90.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -15.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C107 D130 | C107-G146 PolarHBondContact SG-O 2.93Å; D130-G146 WeakPolarHBondContact O-CA 3.42Å; D130-G146 PolarHBondContact O-N 3.17Å |
| 147 | D | 86.6 | Confident | 90 | Very high | 68 Ų | 68 | 39.9 Ų | 39.9 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -42.4 | 174 | -166.2 | 44.8 | 0 | 0 | 0 | 112.1 | R85 H106 D130 N145 | R85-D147 IonicContact CZ-OD1 3.7Å; R85-D147 IonicContact NH1-OD1 2.57Å; R85-D147 PolarHBondContact NH1-OD1 2.96Å; R85-D147 IonicContact NH2-OD1 2.75Å; R85-D147 PolarHBondContact NH2-OD1 3.37Å; H106-D147 PolarHBondContact CD2-O 3.44Å; H106-D147 IonicContact CD2-OD1 3.62Å; H106-D147 IonicContact CE1-OD1 3.88Å; H106-D147 PolarHBondContact NE2-O 2.92Å; H106-D147 IonicContact NE2-OD1 2.73Å; H106-D147 PolarHBondContact NE2-OD1 3.12Å; D130-D147 HydrophobicContact CB-CB 4.1Å; N145-D147 PolarHBondContact O-N 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.39Å; N145-D147 PolarHBondContact OD1-N 3.45Å |
| 148 | T | 88.8 | Confident | 90 | Very high | 81 Ų | 81 | 44 Ų | 44 | 50% | 0.497 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -13.9 | -176.9 | 57 | 0 | 0 | 0 | 0 | 114.1 | N145 T150 | N145-T148 VanDerWaalsContact CG-OG1 3.26Å; N145-T148 PolarHBondContact ND2-OG1 2.77Å; N145-T148 PolarHBondContact O-N 3Å; N145-T148 PolarHBondContact OD1-N 3.14Å; T148-T150 PolarHBondContact O-N 3.5Å; T148-T150 WeakPolarHBondContact OG1-CG2 3.41Å; T148-T150 PolarHBondContact OG1-N 2.77Å; T148-T150 PolarHBondContact OG1-OG1 3.33Å |
| 149 | G | 88.9 | Confident | 90.2 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 10.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | N145 | N145-G149 VanDerWaalsContact O-CA 3.24Å; N145-G149 WeakPolarHBondContact O-CA 3.46Å; N145-G149 PolarHBondContact O-N 3.01Å |
| 150 | T | 91 | Very high | 90.2 | Very high | 71 Ų | 71 | 46.5 Ų | 46.5 | 44% | 0.436 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 141.6 | -175.6 | 57.7 | 0 | 0 | 0 | 0 | 112 | W144 N145 T148 | W144-T150 WeakPolarHBondContact CA-O 3.48Å; N145-T150 PolarHBondContact N-O 3.09Å; N145-T150 PolarHBondContact O-N 2.87Å; T148-T150 PolarHBondContact O-N 3.5Å; T148-T150 WeakPolarHBondContact OG1-CG2 3.41Å; T148-T150 PolarHBondContact OG1-N 2.77Å; T148-T150 PolarHBondContact OG1-OG1 3.33Å |
| 151 | K | 92.8 | Very high | 90.1 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 41% | 0.409 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 119.1 | 175.3 | -175.4 | 162.7 | 60.3 | -164.5 | 0 | 109.6 | E111 V142 W144 K154 | E111-K151 VanDerWaalsContact CD-NZ 3.26Å; E111-K151 IonicContact OE1-NZ 3.91Å; E111-K151 PolarHBondContact OE1-NZ 3.14Å; E111-K151 IonicContact OE2-NZ 3.09Å; E111-K151 PolarHBondContact OE2-NZ 3.45Å; V142-K151 HydrophobicContact CG1-CD 3.67Å; V142-K151 HydrophobicContact CG1-CG 3.7Å; W144-K151 HydrophobicContact CE3-CB 3.82Å; W144-K151 HydrophobicContact CE3-CG 4.44Å; W144-K151 HydrophobicContact CH2-CB 4.1Å; W144-K151 HydrophobicContact CH2-CD 4.03Å; W144-K151 HydrophobicContact CH2-CG 4.34Å; W144-K151 HydrophobicContact CZ2-CD 4.45Å; W144-K151 HydrophobicContact CZ3-CB 3.52Å; W144-K151 HydrophobicContact CZ3-CD 4.33Å; W144-K151 HydrophobicContact CZ3-CG 4.19Å; K151-K154 HydrophobicContact CD-CB 4.49Å |
| 152 | L | 90.6 | Very high | 89.9 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 44% | 0.435 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | -51.8 | 176.6 | -65.7 | -179.9 | 0 | 0 | 0 | 111 | L131 L143 | L131-L152 HydrophobicContact CD2-CD1 3.49Å; L131-L152 VanDerWaalsContact CD2-CD1 3.49Å; L143-L152 HydrophobicContact CB-CB 4.48Å; L143-L152 HydrophobicContact CD2-CB 4.33Å; L143-L152 HydrophobicContact CD2-CD1 3.84Å; L143-L152 HydrophobicContact CG-CB 4.39Å; L143-L152 HydrophobicContact CG-CD1 4.06Å; L143-L152 PolarHBondContact O-N 3.42Å |
| 153 | W | 92.8 | Very high | 89.7 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 165.4 | 174.1 | 54.1 | -103.4 | 0 | 0 | 0 | 112 | L133 I141 V142 L143 K155 F188 S189 Y190 P193 | L133-W153 HydrophobicContact CD1-CH2 4.11Å; I141-W153 HydrophobicContact CG2-CH2 4.44Å; I141-W153 HydrophobicContact CG2-CZ3 4.35Å; V142-W153 WeakPolarHBondContact CG1-O 3.5Å; L143-W153 HydrophobicContact CB-CD2 3.96Å; L143-W153 HydrophobicContact CB-CE3 4.41Å; L143-W153 HydrophobicContact CB-CG 4.45Å; L143-W153 HydrophobicContact CB-CH2 4.2Å; L143-W153 HydrophobicContact CB-CZ2 3.74Å; L143-W153 HydrophobicContact CD2-CZ2 3.92Å; L143-W153 VanDerWaalsContact CD2-NE1 3.31Å; L143-W153 HydrophobicContact CG-CZ2 4.39Å; L143-W153 PolarHBondContact N-O 3.06Å; W153-K155 HydrophobicContact CE3-CB 4.45Å; W153-K155 HydrophobicContact CZ3-CB 4.16Å; W153-F188 HydrophobicContact CH2-CD2 4.38Å; W153-F188 AromaticContact CH2-CE2 3.77Å; W153-F188 HydrophobicContact CH2-CE2 3.77Å; W153-F188 HydrophobicContact CZ2-CD2 4.45Å; W153-F188 AromaticContact CZ2-CE2 3.78Å; W153-F188 HydrophobicContact CZ2-CE2 3.78Å; W153-F188 HydrophobicContact CZ2-CZ 4.21Å; W153-S189 PolarHBondContact NE1-O 3.17Å; W153-Y190 PolarHBondContact NE1-O 3.25Å; W153-Y190 VanDerWaalsContact NE1-O 3.14Å; W153-P193 HydrophobicContact CB-CB 4.28Å; W153-P193 HydrophobicContact CB-CG 4.44Å; W153-P193 HydrophobicContact CD2-CB 3.94Å; W153-P193 HydrophobicContact CE3-CB 3.83Å; W153-P193 HydrophobicContact CG-CB 4.15Å |
| 154 | K | 92.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 49.4 Ų | 49.4 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.3 | 178.5 | 172.9 | 175 | -176 | 177.7 | 0 | 110.1 | E111 Y140 I141 V142 K151 | E111-K154 IonicContact OE1-NZ 3.43Å; E111-K154 PolarHBondContact OE1-NZ 2.98Å; Y140-K154 HydrophobicContact CD1-CD 4.42Å; Y140-K154 HydrophobicContact CD1-CG 4.33Å; I141-K154 WeakPolarHBondContact O-CA 3.33Å; V142-K154 HydrophobicContact CG2-CB 4.23Å; V142-K154 HydrophobicContact CG2-CD 4.32Å; V142-K154 HydrophobicContact CG2-CG 3.98Å; K151-K154 HydrophobicContact CD-CB 4.49Å |
| 155 | K | 91.8 | Very high | 89.6 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 21% | 0.209 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 137 | 174.5 | -175.1 | 72 | 177.1 | -159.6 | 0 | 110 | Y140 I141 W153 Y157 P194 S195 | Y140-K155 WeakPolarHBondContact CA-O 3.45Å; I141-K155 PolarHBondContact N-O 3.08Å; I141-K155 PolarHBondContact O-N 3.43Å; W153-K155 HydrophobicContact CE3-CB 4.45Å; W153-K155 HydrophobicContact CZ3-CB 4.16Å; K155-Y157 HydrophobicContact CB-CE2 4.16Å; K155-Y157 HydrophobicContact CG-CD2 4.38Å; K155-Y157 HydrophobicContact CG-CE2 3.64Å; K155-P194 WeakPolarHBondContact CE-O 3.28Å; K155-P194 PolarHBondContact NZ-O 3.44Å; K155-S195 PolarHBondContact NZ-O 3.5Å |
| 156 | S | 91.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 49.2 Ų | 49.2 | 43% | 0.427 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 138.9 | 174 | -168.3 | 0 | 0 | 0 | 0 | 110 | Y140 | Y140-S156 WeakPolarHBondContact CE1-OG 3.34Å |
| 157 | Y | 89.2 | Confident | 89.7 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 7% | 0.071 | 28% | 0.28 | C | S | . | . | trans | -110.6 | 164.4 | 172.5 | -67.6 | -90 | 0 | 0 | 0 | 110.5 | N139 I141 K155 E159 I161 L176 I185 | N139-Y157 WeakPolarHBondContact CB-O 3.36Å; N139-Y157 VanDerWaalsContact CG-O 3.24Å; N139-Y157 PolarHBondContact ND2-O 3.45Å; N139-Y157 PolarHBondContact O-N 3.21Å; I141-Y157 HydrophobicContact CB-CE2 4.36Å; I141-Y157 HydrophobicContact CD1-CD2 4.26Å; I141-Y157 HydrophobicContact CD1-CE2 3.64Å; I141-Y157 HydrophobicContact CG1-CD2 4.23Å; I141-Y157 HydrophobicContact CG1-CE2 3.89Å; K155-Y157 HydrophobicContact CB-CE2 4.16Å; K155-Y157 HydrophobicContact CG-CD2 4.38Å; K155-Y157 HydrophobicContact CG-CE2 3.64Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; Y157-I161 HydrophobicContact CD2-CD1 3.75Å; Y157-I161 HydrophobicContact CG-CD1 4.22Å; Y157-L176 HydrophobicContact CD1-CD1 4.18Å; Y157-L176 HydrophobicContact CD2-CD1 4.29Å; Y157-L176 HydrophobicContact CE1-CD1 4.02Å; Y157-L176 HydrophobicContact CE2-CD1 4.13Å; Y157-L176 HydrophobicContact CG-CD1 4.32Å; Y157-I185 HydrophobicContact CE1-CD1 3.84Å; Y157-I185 HydrophobicContact CE1-CG1 4.4Å; Y157-I185 WeakPolarHBondContact OH-CD1 3.34Å | ||
| 158 | A | 84.9 | Confident | 89.8 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 84% | 0.835 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -74.5 | -25.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 159 | E | 85.1 | Confident | 89.6 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 20% | 0.201 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -118.5 | 159.9 | -169.2 | -67 | 175.6 | -176.2 | 0 | 0 | 112.2 | N139 Y157 I161 T178 K200 | N139-E159 WeakPolarHBondContact CB-O 3.2Å; Y157-E159 VanDerWaalsContact C-N 3.34Å; E159-I161 PolarHBondContact O-N 3.27Å; E159-T178 HydrophobicContact CB-CG2 4.13Å; E159-T178 WeakPolarHBondContact OE2-CB 3.17Å; E159-T178 PolarHBondContact OE2-OG1 2.96Å; E159-K200 VanDerWaalsContact CD-NZ 3.31Å; E159-K200 WeakPolarHBondContact OE1-CE 3.48Å; E159-K200 IonicContact OE1-NZ 3.7Å; E159-K200 PolarHBondContact OE1-NZ 2.89Å; E159-K200 WeakPolarHBondContact OE2-CE 3.35Å; E159-K200 IonicContact OE2-NZ 3.23Å; E159-K200 PolarHBondContact OE2-NZ 3.25Å |
| 160 | N | 87.9 | Confident | 89.3 | Confident | 84 Ų | 84 | 45.8 Ų | 45.8 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | trans | -69.1 | 126.6 | 178.3 | -66.8 | -15.5 | 0 | 0 | 0 | 110.4 | P138 T178 S179 | P138-N160 VanDerWaalsContact CB-OD1 3.23Å; P138-N160 WeakPolarHBondContact CB-OD1 3.2Å; P138-N160 VanDerWaalsContact O-CA 3.23Å; P138-N160 WeakPolarHBondContact O-CA 3.29Å; N160-T178 VanDerWaalsContact O-CA 3.22Å; N160-T178 WeakPolarHBondContact O-CA 3.33Å; N160-T178 WeakPolarHBondContact O-CB 3.47Å; N160-S179 PolarHBondContact O-N 2.7Å | ||
| 161 | I | 89.8 | Confident | 88.8 | Confident | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | -179.5 | -55 | 168.3 | 0 | 0 | 0 | 108.3 | V135 P138 I141 Y157 E159 L176 | V135-I161 HydrophobicContact CG1-CB 3.85Å; V135-I161 HydrophobicContact CG1-CG2 3.77Å; V135-I161 HydrophobicContact CG2-CG2 4.45Å; P138-I161 PolarHBondContact O-N 3.25Å; I141-I161 HydrophobicContact CD1-CD1 4.02Å; I141-I161 HydrophobicContact CG1-CD1 3.72Å; Y157-I161 HydrophobicContact CD2-CD1 3.75Å; Y157-I161 HydrophobicContact CG-CD1 4.22Å; E159-I161 PolarHBondContact O-N 3.27Å; I161-L176 HydrophobicContact CD1-CD1 4.18Å; I161-L176 HydrophobicContact CG2-CD2 4.39Å |
| 162 | L | 87.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 44% | 0.435 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -43.4 | -179.1 | -60.5 | 177.3 | 0 | 0 | 0 | 112 | L177 | L162-L177 HydrophobicContact CB-CD2 4.4Å; L162-L177 HydrophobicContact CB-CG 4.42Å; L162-L177 HydrophobicContact CD1-CG 4.48Å; L162-L177 PolarHBondContact N-O 3.3Å |
| 163 | S | 88.1 | Confident | 88.2 | Confident | 23 Ų | 23 | 37.7 Ų | 37.7 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 167 | 177.5 | 60.2 | 0 | 0 | 0 | 0 | 110.4 | L177 | S163-L177 PolarHBondContact O-N 3.36Å |
| 164 | F | 92.6 | Very high | 88.2 | Confident | 16 Ų | 16 | 36.8 Ų | 36.8 | 7% | 0.07 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159 | 173.4 | 69.4 | -82.6 | 0 | 0 | 0 | 111.5 | D118 E120 L133 V135 F166 M174 A175 L176 | D118-F164 HydrophobicContact CB-CD1 3.81Å; D118-F164 HydrophobicContact CB-CE1 3.67Å; D118-F164 PolarHBondContact OD2-N 3.03Å; E120-F164 HydrophobicContact CB-CE2 3.73Å; E120-F164 HydrophobicContact CB-CZ 3.5Å; E120-F164 VanDerWaalsContact CB-CZ 3.5Å; E120-F164 HydrophobicContact CG-CE2 4.48Å; L133-F164 HydrophobicContact CB-CZ 4.49Å; L133-F164 HydrophobicContact CD2-CD2 4.32Å; L133-F164 HydrophobicContact CD2-CE2 3.82Å; L133-F164 HydrophobicContact CD2-CZ 4.03Å; V135-F164 HydrophobicContact CG2-CD1 3.36Å; V135-F164 HydrophobicContact CG2-CE1 3.55Å; V135-F164 HydrophobicContact CG2-CG 4.4Å; F164-F166 HydrophobicContact CD2-CD2 4.27Å; F164-F166 HydrophobicContact CD2-CE2 4.12Å; F164-F166 AromaticContact CE2-CD2 3.97Å; F164-F166 HydrophobicContact CE2-CD2 3.97Å; F164-F166 AromaticContact CE2-CE2 3.62Å; F164-F166 HydrophobicContact CE2-CE2 3.62Å; F164-M174 HydrophobicContact CB-SD 4.42Å; F164-M174 HydrophobicContact CD2-CG 4.49Å; F164-M174 HydrophobicContact CD2-SD 3.96Å; F164-M174 HydrophobicContact CG-SD 4.47Å; F164-A175 CarbonylContact C-O 3.59Å; F164-A175 VanDerWaalsContact CA-O 3.28Å; F164-A175 WeakPolarHBondContact CA-O 3.26Å; F164-L176 HydrophobicContact CB-CD2 3.49Å; F164-L176 VanDerWaalsContact CB-CD2 3.49Å |
| 165 | S | 91.8 | Very high | 88.1 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 16% | 0.161 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.3 | 172.5 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | A175 Y257 | S165-A175 PolarHBondContact N-O 3.29Å; S165-A175 PolarHBondContact O-N 2.96Å; S165-Y257 WeakPolarHBondContact O-CE2 3.48Å; S165-Y257 PolarHBondContact OG-N 3.41Å |
| 166 | F | 91 | Very high | 88.1 | Confident | 22 Ų | 22 | 31 Ų | 31 | 10% | 0.096 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 150.8 | 169.5 | -78.8 | -74.9 | 0 | 0 | 0 | 111.3 | L122 L133 F164 P168 M174 F188 Y257 | L122-F166 HydrophobicContact CD2-CE1 4.34Å; L122-F166 HydrophobicContact CD2-CE2 3.63Å; L122-F166 HydrophobicContact CD2-CZ 3.46Å; L122-F166 VanDerWaalsContact CD2-CZ 3.46Å; L133-F166 HydrophobicContact CD2-CE2 3.95Å; L133-F166 HydrophobicContact CD2-CZ 3.73Å; F164-F166 HydrophobicContact CD2-CD2 4.27Å; F164-F166 HydrophobicContact CD2-CE2 4.12Å; F164-F166 AromaticContact CE2-CD2 3.97Å; F164-F166 HydrophobicContact CE2-CD2 3.97Å; F164-F166 AromaticContact CE2-CE2 3.62Å; F164-F166 HydrophobicContact CE2-CE2 3.62Å; F166-P168 WeakPolarHBondContact O-CD 3.49Å; F166-M174 HydrophobicContact CD1-CB 4.07Å; F166-M174 HydrophobicContact CD1-CG 4.32Å; F166-M174 HydrophobicContact CE1-CB 4.1Å; F166-M174 HydrophobicContact CE1-CG 4.26Å; F166-M174 HydrophobicContact CE1-SD 3.97Å; F166-M174 HydrophobicContact CE2-SD 4.49Å; F166-M174 HydrophobicContact CZ-SD 3.93Å; F166-F188 AromaticContact CE1-CD1 3.89Å; F166-F188 HydrophobicContact CE1-CD1 3.89Å; F166-F188 HydrophobicContact CE1-CD2 4.33Å; F166-F188 AromaticContact CE1-CE1 3.86Å; F166-F188 HydrophobicContact CE1-CE1 3.86Å; F166-F188 HydrophobicContact CE1-CE2 4.29Å; F166-F188 HydrophobicContact CE1-CG 4.14Å; F166-F188 HydrophobicContact CE1-CZ 4.07Å; F166-F188 HydrophobicContact CZ-CD1 4.46Å; F166-F188 AromaticContact CZ-CE1 4Å; F166-F188 HydrophobicContact CZ-CE1 4Å; F166-F188 HydrophobicContact CZ-CE2 4.13Å; F166-F188 AromaticContact CZ-CZ 3.82Å; F166-F188 HydrophobicContact CZ-CZ 3.82Å; F166-Y257 WeakPolarHBondContact O-CD2 3.18Å |
| 167 | D | 89.3 | Confident | 88 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -74 | 121.2 | 166.7 | -178.3 | -7.7 | 0 | 0 | 0 | 109.5 | F169 D170 N173 Y257 | D167-F169 PolarHBondContact O-N 2.63Å; D167-F169 PolarHBondContact OD1-N 3.28Å; D167-D170 PolarHBondContact O-N 3.27Å; D167-N173 HydrophobicContact CB-CB 3.76Å; D167-N173 PolarHBondContact N-O 3.4Å; D167-Y257 HydrophobicContact CB-CD1 4.2Å; D167-Y257 HydrophobicContact CB-CE1 4.04Å; D167-Y257 HydrophobicContact CB-CG 4.49Å | ||
| 168 | P | 86.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 27.7 Ų | 27.7 | 34% | 0.338 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -62.6 | -23.4 | 179.6 | -24.6 | 36.1 | 0 | 0 | 0 | 114.3 | F166 P259 | F166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-P259 HydrophobicContact CB-CB 4.38Å; P168-P259 HydrophobicContact CG-CB 4.12Å |
| 169 | F | 85.1 | Confident | 87.7 | Confident | 20 Ų | 20 | 24.7 Ų | 24.7 | 9% | 0.088 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -96.5 | -22.8 | -175.1 | -59.2 | -84.9 | 0 | 0 | 0 | 112.9 | D167 P259 R262 C969 D971 K1129 | D167-F169 PolarHBondContact O-N 2.63Å; D167-F169 PolarHBondContact OD1-N 3.28Å; F169-P259 WeakPolarHBondContact CZ-O 3.31Å; F169-R262 HydrophobicContact CB-CG 4.36Å; F169-R262 HydrophobicContact CD1-CB 4.47Å; F169-R262 HydrophobicContact CD2-CB 3.94Å; F169-R262 HydrophobicContact CD2-CG 4.14Å; F169-R262 HydrophobicContact CE2-CB 4.05Å; F169-R262 HydrophobicContact CG-CB 4.16Å; F169-R262 HydrophobicContact CG-CG 4.19Å; F169-R262 HydrophobicContact CZ-CB 4.36Å; F169-C969 VanDerWaalsContact CE1-O 3.31Å; F169-C969 WeakPolarHBondContact CE1-O 3.11Å; F169-D971 HydrophobicContact CD1-CB 3.61Å; F169-D971 HydrophobicContact CE1-CB 3.73Å; F169-K1129 PolarHBondContact O-NZ 3.08Å |
| 170 | D | 83.3 | Confident | 87.3 | Confident | 20 Ų | 20 | 25.8 Ų | 25.8 | 11% | 0.107 | 15% | 0.146 | C | C | . | . | trans | -143.4 | 104.6 | -176.2 | -161.7 | 7.7 | 0 | 0 | 0 | 112.5 | D167 S172 N173 N1093 | D167-D170 PolarHBondContact O-N 3.27Å; D170-S172 PolarHBondContact O-N 3.27Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 2.95Å; D170-S172 PolarHBondContact OD2-OG 3.4Å; D170-N173 WeakPolarHBondContact CB-ND2 3.44Å; D170-N173 PolarHBondContact O-N 3.36Å; D170-N173 PolarHBondContact OD2-ND2 3.03Å; D170-N173 VanDerWaalsContact OD2-ND2 3.13Å; D170-N1093 PolarHBondContact OD2-ND2 3.47Å | ||
| 171 | P | 79.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 21.8 Ų | 21.8 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -13.3 | -172.7 | 26.6 | -32.9 | 0 | 0 | 0 | 114.1 | W123 N124 F188 | W123-P171 HydrophobicContact CH2-CB 3.95Å; W123-P171 HydrophobicContact CH2-CG 4Å; W123-P171 HydrophobicContact CZ2-CB 3.55Å; W123-P171 HydrophobicContact CZ2-CG 4.12Å; N124-P171 HydrophobicContact CB-CB 4.4Å; P171-F188 WeakPolarHBondContact O-CD1 3.49Å |
| 172 | S | 84 | Confident | 86.8 | Confident | 32 Ų | 32 | 21.7 Ų | 21.7 | 22% | 0.224 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -16.4 | 174.6 | 60.4 | 0 | 0 | 0 | 0 | 113 | D170 T186 F188 | D170-S172 PolarHBondContact O-N 3.27Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 2.95Å; D170-S172 PolarHBondContact OD2-OG 3.4Å; S172-T186 CarbonylContact O-C 2.98Å; S172-F188 VanDerWaalsContact O-CB 3.26Å; S172-F188 WeakPolarHBondContact O-CB 3.35Å; S172-F188 PolarHBondContact O-N 3.46Å |
| 173 | N | 88.3 | Confident | 86.9 | Confident | 30 Ų | 30 | 18.3 Ų | 18.3 | 16% | 0.16 | 11% | 0.106 | C | C | . | . | trans | -100.1 | 128.5 | -176.2 | -58.8 | -30.4 | 0 | 0 | 0 | 111 | D167 D170 I185 T186 | D167-N173 HydrophobicContact CB-CB 3.76Å; D167-N173 PolarHBondContact N-O 3.4Å; D170-N173 WeakPolarHBondContact CB-ND2 3.44Å; D170-N173 PolarHBondContact O-N 3.36Å; D170-N173 PolarHBondContact OD2-ND2 3.03Å; D170-N173 VanDerWaalsContact OD2-ND2 3.13Å; N173-I185 CarbonylContact C-O 3.53Å; N173-I185 VanDerWaalsContact CA-O 3.3Å; N173-I185 WeakPolarHBondContact CA-O 3.36Å; N173-T186 WeakPolarHBondContact OD1-CA 3.3Å | ||
| 174 | M | 90.9 | Very high | 86.9 | Confident | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.9 | 179 | -179.6 | 175.7 | 63.9 | 0 | 0 | 109.9 | L133 I141 F164 F166 L176 I185 F188 | L133-M174 HydrophobicContact CD2-SD 4.03Å; I141-M174 HydrophobicContact CD1-CE 3.92Å; F164-M174 HydrophobicContact CB-SD 4.42Å; F164-M174 HydrophobicContact CD2-CG 4.49Å; F164-M174 HydrophobicContact CD2-SD 3.96Å; F164-M174 HydrophobicContact CG-SD 4.47Å; F166-M174 HydrophobicContact CD1-CB 4.07Å; F166-M174 HydrophobicContact CD1-CG 4.32Å; F166-M174 HydrophobicContact CE1-CB 4.1Å; F166-M174 HydrophobicContact CE1-CG 4.26Å; F166-M174 HydrophobicContact CE1-SD 3.97Å; F166-M174 HydrophobicContact CE2-SD 4.49Å; F166-M174 HydrophobicContact CZ-SD 3.93Å; M174-L176 HydrophobicContact CE-CD2 3.89Å; M174-L176 HydrophobicContact CE-CG 4.46Å; M174-L176 HydrophobicContact CG-CD2 4.27Å; M174-L176 HydrophobicContact SD-CD2 4.11Å; M174-I185 HydrophobicContact CB-CB 4.48Å; M174-I185 HydrophobicContact CE-CD1 3.43Å; M174-I185 VanDerWaalsContact CE-CD1 3.43Å; M174-I185 PolarHBondContact N-O 3.34Å; M174-I185 PolarHBondContact O-N 2.84Å; M174-F188 HydrophobicContact CE-CD2 4.15Å |
| 175 | A | 91.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 132.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F164 S165 I182 F184 L255 Y257 M265 | F164-A175 CarbonylContact C-O 3.59Å; F164-A175 VanDerWaalsContact CA-O 3.28Å; F164-A175 WeakPolarHBondContact CA-O 3.26Å; S165-A175 PolarHBondContact N-O 3.29Å; S165-A175 PolarHBondContact O-N 2.96Å; A175-I182 HydrophobicContact CB-CG2 4.35Å; A175-F184 HydrophobicContact CB-CD1 3.98Å; A175-F184 HydrophobicContact CB-CE1 3.93Å; A175-L255 HydrophobicContact CB-CD2 3.77Å; A175-Y257 HydrophobicContact CB-CE2 3.58Å; A175-M265 HydrophobicContact CB-SD 4.4Å |
| 176 | L | 90.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 129.6 | 174 | -55.2 | -179.4 | 0 | 0 | 0 | 109.8 | I141 Y157 I161 F164 M174 I182 V183 I185 | I141-L176 HydrophobicContact CD1-CD1 3.81Å; I141-L176 HydrophobicContact CD1-CD2 3.64Å; I141-L176 HydrophobicContact CD1-CG 4.37Å; Y157-L176 HydrophobicContact CD1-CD1 4.18Å; Y157-L176 HydrophobicContact CD2-CD1 4.29Å; Y157-L176 HydrophobicContact CE1-CD1 4.02Å; Y157-L176 HydrophobicContact CE2-CD1 4.13Å; Y157-L176 HydrophobicContact CG-CD1 4.32Å; I161-L176 HydrophobicContact CD1-CD1 4.18Å; I161-L176 HydrophobicContact CG2-CD2 4.39Å; F164-L176 HydrophobicContact CB-CD2 3.49Å; F164-L176 VanDerWaalsContact CB-CD2 3.49Å; M174-L176 HydrophobicContact CE-CD2 3.89Å; M174-L176 HydrophobicContact CE-CG 4.46Å; M174-L176 HydrophobicContact CG-CD2 4.27Å; M174-L176 HydrophobicContact SD-CD2 4.11Å; L176-I182 CarbonylContact O-C 3.57Å; L176-I182 WeakPolarHBondContact O-CA 3.27Å; L176-V183 HydrophobicContact CB-CB 4.23Å; L176-V183 PolarHBondContact N-O 3.1Å; L176-V183 PolarHBondContact O-N 3.23Å; L176-I185 HydrophobicContact CD1-CD1 3.5Å; L176-I185 HydrophobicContact CD2-CD1 4.49Å; L176-I185 HydrophobicContact CG-CD1 3.82Å |
| 177 | L | 89.3 | Confident | 86.3 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.5 | 167.9 | -177.7 | 65.4 | 0 | 0 | 0 | 108.6 | L162 S163 I182 L249 L255 | L162-L177 HydrophobicContact CB-CD2 4.4Å; L162-L177 HydrophobicContact CB-CG 4.42Å; L162-L177 HydrophobicContact CD1-CG 4.48Å; L162-L177 PolarHBondContact N-O 3.3Å; S163-L177 PolarHBondContact O-N 3.36Å; L177-I182 HydrophobicContact CD1-CG1 4.36Å; L177-L249 HydrophobicContact CD1-CD2 3.98Å; L177-L255 HydrophobicContact CB-CB 4.36Å; L177-L255 HydrophobicContact CB-CD1 4.37Å; L177-L255 HydrophobicContact CD1-CD1 4.42Å; L177-L255 HydrophobicContact CD2-CB 4.49Å |
| 178 | T | 87.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 23.1 Ų | 23.1 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 169.8 | 174.4 | 77.2 | 0 | 0 | 0 | 0 | 111 | E159 N160 E180 G181 V183 | E159-T178 HydrophobicContact CB-CG2 4.13Å; E159-T178 WeakPolarHBondContact OE2-CB 3.17Å; E159-T178 PolarHBondContact OE2-OG1 2.96Å; N160-T178 VanDerWaalsContact O-CA 3.22Å; N160-T178 WeakPolarHBondContact O-CA 3.33Å; N160-T178 WeakPolarHBondContact O-CB 3.47Å; T178-E180 PolarHBondContact O-N 3.23Å; T178-E180 PolarHBondContact OG1-N 2.9Å; T178-G181 PolarHBondContact N-O 3.1Å; T178-G181 PolarHBondContact OG1-N 3.08Å; T178-G181 VanDerWaalsContact OG1-N 3.07Å; T178-G181 PolarHBondContact OG1-O 2.96Å; T178-V183 HydrophobicContact CG2-CG2 3.84Å |
| 179 | S | 80.6 | Confident | 86 | Confident | 37 Ų | 37 | 22.5 Ų | 22.5 | 26% | 0.259 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -62.8 | -20.1 | 175.1 | 56.5 | 0 | 0 | 0 | 0 | 114.2 | N160 N250 | N160-S179 PolarHBondContact O-N 2.7Å; S179-N250 PolarHBondContact O-OD1 2.75Å |
| 180 | E | 76.5 | Confident | 85.9 | Confident | 67 Ų | 67 | 24.6 Ų | 24.6 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -114.3 | -19.4 | -175.6 | -62.4 | -84.8 | 138.2 | 0 | 0 | 113.2 | T178 Y202 K241 | T178-E180 PolarHBondContact O-N 3.23Å; T178-E180 PolarHBondContact OG1-N 2.9Å; E180-Y202 VanDerWaalsContact O-CD1 3.29Å; E180-Y202 WeakPolarHBondContact O-CD1 3.42Å; E180-Y202 WeakPolarHBondContact O-CE1 3.42Å; E180-K241 WeakPolarHBondContact OE2-CE 3.42Å; E180-K241 IonicContact OE2-NZ 3.03Å; E180-K241 PolarHBondContact OE2-NZ 3.07Å |
| 181 | G | 80.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -172 | -176.7 | -165.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T178 | T178-G181 PolarHBondContact N-O 3.1Å; T178-G181 PolarHBondContact OG1-N 3.08Å; T178-G181 VanDerWaalsContact OG1-N 3.07Å; T178-G181 PolarHBondContact OG1-O 2.96Å | ||
| 182 | I | 87.4 | Confident | 86.2 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.2 | 168.3 | -58.5 | 171.3 | 0 | 0 | 0 | 107.5 | A175 L176 L177 F184 V201 I203 L249 L255 M265 L267 | A175-I182 HydrophobicContact CB-CG2 4.35Å; L176-I182 CarbonylContact O-C 3.57Å; L176-I182 WeakPolarHBondContact O-CA 3.27Å; L177-I182 HydrophobicContact CD1-CG1 4.36Å; I182-F184 HydrophobicContact CB-CE2 4.45Å; I182-F184 HydrophobicContact CG2-CD2 4.3Å; I182-F184 HydrophobicContact CG2-CE1 4.24Å; I182-F184 HydrophobicContact CG2-CE2 3.83Å; I182-F184 HydrophobicContact CG2-CZ 3.81Å; I182-V201 PolarHBondContact N-O 3.38Å; I182-V201 PolarHBondContact O-N 2.93Å; I182-I203 HydrophobicContact CD1-CD1 3.55Å; I182-I203 HydrophobicContact CG1-CD1 4.4Å; I182-L249 HydrophobicContact CG1-CD2 4.46Å; I182-L255 HydrophobicContact CB-CD1 4.44Å; I182-L255 HydrophobicContact CD1-CD1 3.62Å; I182-L255 HydrophobicContact CG1-CD1 3.78Å; I182-L255 HydrophobicContact CG2-CD1 3.81Å; I182-M265 HydrophobicContact CD1-CE 3.82Å; I182-L267 HydrophobicContact CD1-CD1 4.21Å; I182-L267 HydrophobicContact CD1-CD2 3.84Å |
| 183 | V | 88.9 | Confident | 86.3 | Confident | 11 Ų | 11 | 35.3 Ų | 35.3 | 7% | 0.067 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 117.2 | 176 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | L176 T178 A197 K200 | L176-V183 HydrophobicContact CB-CB 4.23Å; L176-V183 PolarHBondContact N-O 3.1Å; L176-V183 PolarHBondContact O-N 3.23Å; T178-V183 HydrophobicContact CG2-CG2 3.84Å; V183-A197 WeakPolarHBondContact CG1-O 3.38Å; V183-K200 HydrophobicContact CG2-CB 4.49Å; V183-K200 HydrophobicContact CG2-CG 4.25Å |
| 184 | F | 89.6 | Confident | 86.4 | Confident | 28 Ų | 28 | 34 Ų | 34 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 126.5 | 175.5 | -67.3 | -78.4 | 0 | 0 | 0 | 110.7 | A175 I182 G198 K199 V201 M265 L278 | A175-F184 HydrophobicContact CB-CD1 3.98Å; A175-F184 HydrophobicContact CB-CE1 3.93Å; I182-F184 HydrophobicContact CB-CE2 4.45Å; I182-F184 HydrophobicContact CG2-CD2 4.3Å; I182-F184 HydrophobicContact CG2-CE1 4.24Å; I182-F184 HydrophobicContact CG2-CE2 3.83Å; I182-F184 HydrophobicContact CG2-CZ 3.81Å; F184-G198 CarbonylContact O-C 3.55Å; F184-G198 WeakPolarHBondContact O-CA 3.46Å; F184-K199 PolarHBondContact N-O 3.41Å; F184-K199 PolarHBondContact O-N 3.05Å; F184-V201 HydrophobicContact CD2-CB 4.29Å; F184-V201 HydrophobicContact CD2-CG2 3.94Å; F184-V201 HydrophobicContact CE2-CB 4Å; F184-V201 HydrophobicContact CE2-CG1 4.34Å; F184-V201 HydrophobicContact CE2-CG2 3.91Å; F184-M265 HydrophobicContact CE1-CE 4.43Å; F184-M265 HydrophobicContact CE1-SD 4.05Å; F184-M265 HydrophobicContact CZ-CE 3.91Å; F184-M265 HydrophobicContact CZ-SD 4.14Å; F184-L278 HydrophobicContact CE1-CD1 4.32Å; F184-L278 HydrophobicContact CE1-CD2 3.84Å; F184-L278 HydrophobicContact CZ-CD2 3.61Å |
| 185 | I | 89.6 | Confident | 86 | Confident | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.1 | 175.4 | -65.2 | 155.6 | 0 | 0 | 0 | 107 | Y157 N173 M174 L176 F188 P194 | Y157-I185 HydrophobicContact CE1-CD1 3.84Å; Y157-I185 HydrophobicContact CE1-CG1 4.4Å; Y157-I185 WeakPolarHBondContact OH-CD1 3.34Å; N173-I185 CarbonylContact C-O 3.53Å; N173-I185 VanDerWaalsContact CA-O 3.3Å; N173-I185 WeakPolarHBondContact CA-O 3.36Å; M174-I185 HydrophobicContact CB-CB 4.48Å; M174-I185 HydrophobicContact CE-CD1 3.43Å; M174-I185 VanDerWaalsContact CE-CD1 3.43Å; M174-I185 PolarHBondContact N-O 3.34Å; M174-I185 PolarHBondContact O-N 2.84Å; L176-I185 HydrophobicContact CD1-CD1 3.5Å; L176-I185 HydrophobicContact CD2-CD1 4.49Å; L176-I185 HydrophobicContact CG-CD1 3.82Å; I185-F188 HydrophobicContact CG2-CB 4.42Å; I185-P194 HydrophobicContact CG2-CB 4.01Å; I185-P194 HydrophobicContact CG2-CG 4.13Å |
| 186 | T | 85.9 | Confident | 85.5 | Confident | 95 Ų | 95 | 40.9 Ų | 40.9 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | trans | -114.7 | -5.2 | -177.9 | 57 | 0 | 0 | 0 | 0 | 113 | S172 N173 | S172-T186 CarbonylContact O-C 2.98Å; N173-T186 WeakPolarHBondContact OD1-CA 3.3Å | ||
| 187 | D | 86.2 | Confident | 85 | Confident | 46 Ų | 46 | 44.5 Ų | 44.5 | 25% | 0.246 | 26% | 0.264 | C | S | . | . | trans | -114.1 | 31.1 | -175.9 | 66.7 | -39.6 | 0 | 0 | 0 | 112.7 | S189 S195 S196 | D187-S189 PolarHBondContact O-N 3.38Å; D187-S195 WeakPolarHBondContact OD2-CA 3.47Å; D187-S195 WeakPolarHBondContact OD2-CB 3.23Å; D187-S195 PolarHBondContact OD2-N 3.02Å; D187-S195 PolarHBondContact OD2-OG 2.86Å; D187-S196 PolarHBondContact OD1-OG 3.13Å; D187-S196 PolarHBondContact OD2-N 3.21Å; D187-S196 VanDerWaalsContact OD2-N 3.17Å | ||
| 188 | F | 87.3 | Confident | 84.6 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 9% | 0.088 | 28% | 0.275 | C | S | . | . | trans | -67.4 | 131.5 | 177.1 | -177.6 | -91.2 | 0 | 0 | 0 | 111.3 | L122 L133 W153 F166 P171 S172 M174 I185 P194 | L122-F188 HydrophobicContact CD1-CE1 4.03Å; L122-F188 HydrophobicContact CD1-CZ 4.02Å; L122-F188 HydrophobicContact CD2-CE1 4.1Å; L122-F188 HydrophobicContact CD2-CZ 4Å; L133-F188 HydrophobicContact CD1-CE2 4.14Å; L133-F188 HydrophobicContact CD1-CZ 4.35Å; L133-F188 HydrophobicContact CD2-CE2 4.21Å; L133-F188 HydrophobicContact CD2-CZ 4.49Å; W153-F188 HydrophobicContact CH2-CD2 4.38Å; W153-F188 AromaticContact CH2-CE2 3.77Å; W153-F188 HydrophobicContact CH2-CE2 3.77Å; W153-F188 HydrophobicContact CZ2-CD2 4.45Å; W153-F188 AromaticContact CZ2-CE2 3.78Å; W153-F188 HydrophobicContact CZ2-CE2 3.78Å; W153-F188 HydrophobicContact CZ2-CZ 4.21Å; F166-F188 AromaticContact CE1-CD1 3.89Å; F166-F188 HydrophobicContact CE1-CD1 3.89Å; F166-F188 HydrophobicContact CE1-CD2 4.33Å; F166-F188 AromaticContact CE1-CE1 3.86Å; F166-F188 HydrophobicContact CE1-CE1 3.86Å; F166-F188 HydrophobicContact CE1-CE2 4.29Å; F166-F188 HydrophobicContact CE1-CG 4.14Å; F166-F188 HydrophobicContact CE1-CZ 4.07Å; F166-F188 HydrophobicContact CZ-CD1 4.46Å; F166-F188 AromaticContact CZ-CE1 4Å; F166-F188 HydrophobicContact CZ-CE1 4Å; F166-F188 HydrophobicContact CZ-CE2 4.13Å; F166-F188 AromaticContact CZ-CZ 3.82Å; F166-F188 HydrophobicContact CZ-CZ 3.82Å; P171-F188 WeakPolarHBondContact O-CD1 3.49Å; S172-F188 VanDerWaalsContact O-CB 3.26Å; S172-F188 WeakPolarHBondContact O-CB 3.35Å; S172-F188 PolarHBondContact O-N 3.46Å; M174-F188 HydrophobicContact CE-CD2 4.15Å; I185-F188 HydrophobicContact CG2-CB 4.42Å; F188-P194 HydrophobicContact CD2-CG 4.43Å | ||
| 189 | S | 83.8 | Confident | 84.5 | Confident | 38 Ų | 38 | 50.8 Ų | 50.8 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | trans | -144.3 | 150.1 | 176 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | W153 D187 S191 K192 | W153-S189 PolarHBondContact NE1-O 3.17Å; D187-S189 PolarHBondContact O-N 3.38Å; S189-S191 PolarHBondContact OG-N 3.27Å; S189-S191 PolarHBondContact OG-OG 3.09Å; S189-K192 VanDerWaalsContact O-O 3.08Å | ||
| 190 | Y | 82.3 | Confident | 84.7 | Confident | 65 Ų | 65 | 51.1 Ų | 51.1 | 26% | 0.255 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -74.6 | -29.2 | 175.4 | 58.2 | -95.1 | 0 | 0 | 0 | 112.4 | A127 W153 | A127-Y190 HydrophobicContact CB-CD2 4.34Å; A127-Y190 HydrophobicContact CB-CE1 4.28Å; A127-Y190 HydrophobicContact CB-CE2 3.78Å; W153-Y190 PolarHBondContact NE1-O 3.25Å; W153-Y190 VanDerWaalsContact NE1-O 3.14Å |
| 191 | S | 82.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 48 Ų | 48 | 56% | 0.559 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -85.9 | -28.3 | -174 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | S189 | S189-S191 PolarHBondContact OG-N 3.27Å; S189-S191 PolarHBondContact OG-OG 3.09Å |
| 192 | K | 86.1 | Confident | 84.6 | Confident | 152 Ų | 152 | 49.2 Ų | 49.2 | 66% | 0.661 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -136 | 141.8 | -178 | -67.6 | -178.3 | -178.2 | 176.4 | 0 | 110.2 | S189 | S189-K192 VanDerWaalsContact O-O 3.08Š|
| 193 | P | 87.9 | Confident | 83.8 | Confident | 60 Ų | 60 | 49.2 Ų | 49.2 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | trans | -62.9 | 150.6 | 173.5 | 28.2 | -34.6 | 0 | 0 | 0 | 110.3 | W153 S195 | W153-P193 HydrophobicContact CB-CB 4.28Å; W153-P193 HydrophobicContact CB-CG 4.44Å; W153-P193 HydrophobicContact CD2-CB 3.94Å; W153-P193 HydrophobicContact CE3-CB 3.83Å; W153-P193 HydrophobicContact CG-CB 4.15Å; P193-S195 PolarHBondContact O-N 3.04Å | ||
| 194 | P | 88.4 | Confident | 82.3 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | trans | -51.5 | 129.6 | 174.1 | -26.5 | 33.9 | 0 | 0 | 0 | 111.1 | K155 I185 F188 | K155-P194 WeakPolarHBondContact CE-O 3.28Å; K155-P194 PolarHBondContact NZ-O 3.44Å; I185-P194 HydrophobicContact CG2-CB 4.01Å; I185-P194 HydrophobicContact CG2-CG 4.13Å; F188-P194 HydrophobicContact CD2-CG 4.43Å | ||
| 195 | S | 84.3 | Confident | 80.5 | Confident | 102 Ų | 102 | 49.7 Ų | 49.7 | 71% | 0.713 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -76.4 | -42 | -178.4 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | K155 D187 P193 | K155-S195 PolarHBondContact NZ-O 3.5Å; D187-S195 WeakPolarHBondContact OD2-CA 3.47Å; D187-S195 WeakPolarHBondContact OD2-CB 3.23Å; D187-S195 PolarHBondContact OD2-N 3.02Å; D187-S195 PolarHBondContact OD2-OG 2.86Å; P193-S195 PolarHBondContact O-N 3.04Å |
| 196 | S | 80.7 | Confident | 78.3 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 30% | 0.301 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -75.6 | 158.4 | 179.8 | 80.2 | 0 | 0 | 0 | 0 | 112.4 | D187 G198 | D187-S196 PolarHBondContact OD1-OG 3.13Å; D187-S196 PolarHBondContact OD2-N 3.21Å; D187-S196 VanDerWaalsContact OD2-N 3.17Å; S196-G198 PolarHBondContact O-N 3Å; S196-G198 PolarHBondContact OG-N 3.05Å |
| 197 | A | 79.3 | Confident | 76 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 65% | 0.645 | 31% | 0.311 | S | S | * | . | trans | -80.2 | 1.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V183 | V183-A197 WeakPolarHBondContact CG1-O 3.38Š| ||
| 198 | G | 82 | Confident | 73.4 | Confident | 24 Ų | 24 | 53.9 Ų | 53.9 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | trans | 78.2 | 158.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F184 S196 | F184-G198 CarbonylContact O-C 3.55Å; F184-G198 WeakPolarHBondContact O-CA 3.46Å; S196-G198 PolarHBondContact O-N 3Å; S196-G198 PolarHBondContact OG-N 3.05Å | ||
| 199 | K | 85.2 | Confident | 70.6 | Confident | 116 Ų | 116 | 57.3 Ų | 57.3 | 50% | 0.504 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.5 | 172.2 | -177.3 | -176.9 | 175.9 | -172.7 | 0 | 108.7 | F184 N239 | F184-K199 PolarHBondContact N-O 3.41Å; F184-K199 PolarHBondContact O-N 3.05Å; K199-N239 WeakPolarHBondContact CE-OD1 3.44Å |
| 200 | K | 83.8 | Confident | 68 | Low | 45 Ų | 45 | 61.7 Ų | 61.7 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135 | 176.4 | -167.7 | 175.4 | -177 | -165.5 | 0 | 110.9 | E159 V183 Y202 | E159-K200 VanDerWaalsContact CD-NZ 3.31Å; E159-K200 WeakPolarHBondContact OE1-CE 3.48Å; E159-K200 IonicContact OE1-NZ 3.7Å; E159-K200 PolarHBondContact OE1-NZ 2.89Å; E159-K200 WeakPolarHBondContact OE2-CE 3.35Å; E159-K200 IonicContact OE2-NZ 3.23Å; E159-K200 PolarHBondContact OE2-NZ 3.25Å; V183-K200 HydrophobicContact CG2-CB 4.49Å; V183-K200 HydrophobicContact CG2-CG 4.25Å; K200-Y202 HydrophobicContact CD-CE1 4.25Å; K200-Y202 HydrophobicContact CD-CE2 4.27Å; K200-Y202 WeakPolarHBondContact CD-OH 3.33Å; K200-Y202 VanDerWaalsContact CE-CE1 3.41Å; K200-Y202 VanDerWaalsContact CE-CZ 3.42Å; K200-Y202 VanDerWaalsContact CE-OH 3.32Å; K200-Y202 WeakPolarHBondContact CE-OH 3.13Å; K200-Y202 HydrophobicContact CG-CE2 4.37Å; K200-Y202 VanDerWaalsContact NZ-CE1 3.29Å; K200-Y202 VanDerWaalsContact NZ-CZ 3.34Å; K200-Y202 PolarHBondContact NZ-OH 3.4Å |
| 201 | V | 79.9 | Confident | 65.6 | Low | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.7 | -179.9 | 159.5 | 0 | 0 | 0 | 0 | 109.3 | I182 F184 I237 | I182-V201 PolarHBondContact N-O 3.38Å; I182-V201 PolarHBondContact O-N 2.93Å; F184-V201 HydrophobicContact CD2-CB 4.29Å; F184-V201 HydrophobicContact CD2-CG2 3.94Å; F184-V201 HydrophobicContact CE2-CB 4Å; F184-V201 HydrophobicContact CE2-CG1 4.34Å; F184-V201 HydrophobicContact CE2-CG2 3.91Å; V201-I237 HydrophobicContact CB-CG2 3.99Å; V201-I237 HydrophobicContact CG1-CB 3.72Å; V201-I237 HydrophobicContact CG1-CD1 4.15Å; V201-I237 HydrophobicContact CG1-CG1 3.66Å; V201-I237 HydrophobicContact CG1-CG2 3.19Å; V201-I237 HydrophobicContact CG2-CG2 3.59Å |
| 202 | Y | 75.7 | Confident | 63.3 | Low | 24 Ų | 24 | 67.2 Ų | 67.2 | 9% | 0.094 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 150.1 | 172.3 | -56.2 | -86.7 | 0 | 0 | 0 | 110.7 | E180 K200 I237 T238 E240 K241 P242 | E180-Y202 VanDerWaalsContact O-CD1 3.29Å; E180-Y202 WeakPolarHBondContact O-CD1 3.42Å; E180-Y202 WeakPolarHBondContact O-CE1 3.42Å; K200-Y202 HydrophobicContact CD-CE1 4.25Å; K200-Y202 HydrophobicContact CD-CE2 4.27Å; K200-Y202 WeakPolarHBondContact CD-OH 3.33Å; K200-Y202 VanDerWaalsContact CE-CE1 3.41Å; K200-Y202 VanDerWaalsContact CE-CZ 3.42Å; K200-Y202 VanDerWaalsContact CE-OH 3.32Å; K200-Y202 WeakPolarHBondContact CE-OH 3.13Å; K200-Y202 HydrophobicContact CG-CE2 4.37Å; K200-Y202 VanDerWaalsContact NZ-CE1 3.29Å; K200-Y202 VanDerWaalsContact NZ-CZ 3.34Å; K200-Y202 PolarHBondContact NZ-OH 3.4Å; Y202-I237 WeakPolarHBondContact O-CA 3.39Å; Y202-T238 PolarHBondContact N-O 3.45Å; Y202-T238 PolarHBondContact O-N 2.95Å; Y202-T238 VanDerWaalsContact O-N 3.1Å; Y202-E240 VanDerWaalsContact CD2-O 3.29Å; Y202-E240 WeakPolarHBondContact CD2-O 3.41Å; Y202-K241 HydrophobicContact CE1-CB 4.4Å; Y202-K241 HydrophobicContact CE1-CG 4.04Å; Y202-K241 HydrophobicContact CE2-CB 4Å; Y202-P242 VanDerWaalsContact CG-CD 3.5Å; Y202-P242 HydrophobicContact CG-CG 4.3Å |
| 203 | I | 70.2 | Confident | 60.6 | Low | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 106.7 | 173.7 | -71.4 | 155.4 | 0 | 0 | 0 | 106.7 | I182 V235 L249 L267 | I182-I203 HydrophobicContact CD1-CD1 3.55Å; I182-I203 HydrophobicContact CG1-CD1 4.4Å; I203-V235 HydrophobicContact CB-CG1 4.17Å; I203-V235 HydrophobicContact CG1-CG1 4.3Å; I203-V235 HydrophobicContact CG2-CG1 3.45Å; I203-V235 VanDerWaalsContact CG2-CG1 3.45Å; I203-V235 HydrophobicContact CG2-CG2 4.32Å; I203-L249 HydrophobicContact CB-CD1 4.09Å; I203-L249 HydrophobicContact CB-CG 4.31Å; I203-L249 HydrophobicContact CD1-CD1 4.08Å; I203-L249 HydrophobicContact CD1-CD2 3.85Å; I203-L249 HydrophobicContact CD1-CG 4.1Å; I203-L249 HydrophobicContact CG1-CD1 4.42Å; I203-L267 HydrophobicContact CD1-CD1 3.25Å; I203-L267 HydrophobicContact CG1-CD1 4.37Å |
| 204 | A | 57.6 | Low | 57.8 | Low | 23 Ų | 23 | 72.9 Ų | 72.9 | 19% | 0.19 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -80.3 | 127.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 205 | S | 51.8 | Low | 55.2 | Low | 26 Ų | 26 | 78.8 Ų | 78.8 | 18% | 0.182 | 47% | 0.469 | C | S | . | . | trans | -64.6 | 137.1 | 163.4 | -173.5 | 0 | 0 | 0 | 0 | 109.7 | H207 A208 A246 | S205-H207 PolarHBondContact O-N 2.96Å; S205-A208 PolarHBondContact O-N 3.27Å; S205-A246 WeakPolarHBondContact CB-O 3.02Å; S205-A246 PolarHBondContact N-O 3.5Å; S205-A246 VanDerWaalsContact N-O 3.14Å | ||
| 206 | P | 42.9 | Very low | 52.8 | Low | 44 Ų | 44 | 78.3 Ų | 78.3 | 29% | 0.286 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -64.4 | -7.4 | -179.8 | 25.6 | -36 | 0 | 0 | 0 | 115.2 | A208 K232 V233 | P206-A208 PolarHBondContact O-N 3.42Å; P206-K232 WeakPolarHBondContact CB-O 3.3Å; P206-K232 WeakPolarHBondContact CG-O 3.1Å; P206-V233 HydrophobicContact CG-CG2 4.34Å |
| 207 | H | 37.8 | Very low | 50.6 | Low | 148 Ų | 148 | 82.2 Ų | 82.2 | 69% | 0.685 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -78.8 | -2 | 176 | -72 | 76.8 | 0 | 0 | 0 | 113.8 | S205 | S205-H207 PolarHBondContact O-N 2.96Š|
| 208 | A | 31.3 | Very low | 48.7 | Very low | 38 Ų | 38 | 83.7 Ų | 83.7 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | G | 310 helix | trans | -111.9 | 15.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | S205 P206 A246 | S205-A208 PolarHBondContact O-N 3.27Å; P206-A208 PolarHBondContact O-N 3.42Å; A208-A246 HydrophobicContact CB-CB 3.2Å |
| 209 | S | 28.8 | Very low | 46.6 | Very low | 93 Ų | 93 | 87.4 Ų | 87.4 | 65% | 0.65 | 54% | 0.537 | S | S | * | . | trans | -89.8 | 120.4 | 172.1 | -53.9 | 0 | 0 | 0 | 0 | 110.6 | A211 | S209-A211 PolarHBondContact O-N 3.39Å; S209-A211 VanDerWaalsContact O-N 3.08Å | ||
| 210 | P | 29 | Very low | 44.2 | Very low | 129 Ų | 129 | 86 Ų | 86 | 84% | 0.838 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | 0.1 | -178.4 | -16.3 | 29.8 | 0 | 0 | 0 | 115.3 | ||
| 211 | A | 32.2 | Very low | 42 | Very low | 76 Ų | 76 | 89.9 Ų | 89.9 | 63% | 0.628 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -6.3 | -157.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | S209 | S209-A211 PolarHBondContact O-N 3.39Å; S209-A211 VanDerWaalsContact O-N 3.08Å |
| 212 | H | 34.5 | Very low | 39.8 | Very low | 186 Ų | 186 | 94 Ų | 94 | 86% | 0.861 | 61% | 0.611 | S | S | * | * | trans | -141.4 | 69.1 | 179.8 | -76.3 | -51.1 | 0 | 0 | 0 | 114.1 | K214 | H212-K214 PolarHBondContact O-N 3.4Š| ||
| 213 | T | 28.6 | Very low | 37.8 | Very low | 139 Ų | 139 | 96.3 Ų | 96.3 | 85% | 0.853 | 63% | 0.629 | S | S | * | * | trans | -91 | 77.9 | 159.2 | 41.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 214 | K | 30.3 | Very low | 36.5 | Very low | 191 Ų | 191 | 101 Ų | 101 | 83% | 0.83 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 129.7 | 156.7 | -98.2 | -174.7 | 178.5 | 177.9 | 0 | 109 | H212 A216 | H212-K214 PolarHBondContact O-N 3.4Å; K214-A216 PolarHBondContact O-N 2.94Å |
| 215 | P | 33.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 101.4 Ų | 101.4 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 128.7 | 175.3 | -12.8 | 25.9 | 0 | 0 | 0 | 110.3 | ||
| 216 | A | 33.4 | Very low | 35.1 | Very low | 93 Ų | 93 | 103.4 Ų | 103.4 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 140.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | K214 | K214-A216 PolarHBondContact O-N 2.94Š|
| 217 | P | 35 | Very low | 35 | Very low | 125 Ų | 125 | 107.9 Ų | 107.9 | 81% | 0.812 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -71 | 141.7 | 178.2 | 26.7 | -31.2 | 0 | 0 | 0 | 112.4 | A219 | P217-A219 PolarHBondContact O-N 3.36Å; P217-A219 VanDerWaalsContact O-N 3.14Å |
| 218 | A | 39.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 106 Ų | 106 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -84.2 | 73.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 219 | A | 38 | Very low | 35.6 | Very low | 102 Ų | 102 | 105.5 Ų | 105.5 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | -165.6 | 38 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | P217 | P217-A219 PolarHBondContact O-N 3.36Å; P217-A219 VanDerWaalsContact O-N 3.14Å | ||
| 220 | A | 35.1 | Very low | 36.1 | Very low | 87 Ų | 87 | 104.9 Ų | 104.9 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -129 | 138.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 221 | P | 37.3 | Very low | 36.5 | Very low | 125 Ų | 125 | 106 Ų | 106 | 81% | 0.812 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 137.7 | 175.3 | 25.7 | -31 | 0 | 0 | 0 | 110.2 | P223 | P221-P223 WeakPolarHBondContact O-CD 3.41Š|
| 222 | A | 33.6 | Very low | 36.9 | Very low | 89 Ų | 89 | 107 Ų | 107 | 74% | 0.736 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 124.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 223 | P | 33.4 | Very low | 37.5 | Very low | 73 Ų | 73 | 99.4 Ų | 99.4 | 47% | 0.474 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 154.7 | 174.9 | 27.8 | -32.2 | 0 | 0 | 0 | 111.3 | P221 | P221-P223 WeakPolarHBondContact O-CD 3.41Š|
| 224 | T | 42.3 | Very low | 38.5 | Very low | 98 Ų | 98 | 98.5 Ų | 98.5 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 150.4 | 179.2 | 51 | 0 | 0 | 0 | 0 | 112.7 | A226 K227 K228 | T224-A226 VanDerWaalsContact C-N 3.27Å; T224-A226 PolarHBondContact O-N 3.39Å; T224-A226 VanDerWaalsContact O-N 3.12Å; T224-K227 PolarHBondContact O-N 3.31Å; T224-K227 VanDerWaalsContact O-N 3.13Å; T224-K228 PolarHBondContact O-N 3.32Å |
| 225 | G | 40.6 | Very low | 39.6 | Very low | 33 Ų | 33 | 89.6 Ų | 89.6 | 34% | 0.34 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57.6 | -29.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | K228 A229 | G225-K228 PolarHBondContact O-N 3.49Å; G225-A229 PolarHBondContact O-N 3.3Å |
| 226 | A | 40.8 | Very low | 40.7 | Very low | 68 Ų | 68 | 86.5 Ų | 86.5 | 56% | 0.562 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69.8 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T224 K228 A229 L230 | T224-A226 VanDerWaalsContact C-N 3.27Å; T224-A226 PolarHBondContact O-N 3.39Å; T224-A226 VanDerWaalsContact O-N 3.12Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 2.87Å; A226-A229 PolarHBondContact O-N 3.16Å; A226-L230 PolarHBondContact O-N 3.26Å; A226-L230 VanDerWaalsContact O-N 3.11Å |
| 227 | K | 39.1 | Very low | 42 | Very low | 137 Ų | 137 | 83 Ų | 83 | 60% | 0.596 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.3 | -27.5 | 176.4 | -74 | -172.4 | 172.7 | -172.4 | 0 | 112.7 | T224 N231 | T224-K227 PolarHBondContact O-N 3.31Å; T224-K227 VanDerWaalsContact O-N 3.13Å; K227-N231 PolarHBondContact O-N 3.47Å |
| 228 | K | 40.8 | Very low | 43.3 | Very low | 109 Ų | 109 | 79.1 Ų | 79.1 | 47% | 0.474 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78 | -24 | 175.6 | -134 | 178.5 | -171.5 | 177.9 | 0 | 113.1 | T224 G225 A226 K232 | T224-K228 PolarHBondContact O-N 3.32Å; G225-K228 PolarHBondContact O-N 3.49Å; A226-K228 VanDerWaalsContact C-N 3.29Å; A226-K228 PolarHBondContact O-N 2.87Å; K228-K232 VanDerWaalsContact O-CB 3.31Å; K228-K232 WeakPolarHBondContact O-CB 3.39Å; K228-K232 VanDerWaalsContact O-CD 3.25Å; K228-K232 WeakPolarHBondContact O-CD 3.33Å; K228-K232 WeakPolarHBondContact O-CG 2.97Å |
| 229 | A | 41.2 | Very low | 44.4 | Very low | 28 Ų | 28 | 78.9 Ų | 78.9 | 23% | 0.231 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -77.6 | -42.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G225 A226 N231 K232 V233 | G225-A229 PolarHBondContact O-N 3.3Å; A226-A229 PolarHBondContact O-N 3.16Å; A229-N231 PolarHBondContact O-N 3.12Å; A229-K232 PolarHBondContact O-N 3.09Å; A229-K232 VanDerWaalsContact O-N 3.08Å; A229-V233 WeakPolarHBondContact O-CG2 3.32Å; A229-V233 PolarHBondContact O-N 2.96Å |
| 230 | L | 39.4 | Very low | 45.5 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 41% | 0.414 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59 | -48.3 | 180 | -138.3 | 78.7 | 0 | 0 | 0 | 113.3 | A226 K232 E342 | A226-L230 PolarHBondContact O-N 3.26Å; A226-L230 VanDerWaalsContact O-N 3.11Å; L230-K232 PolarHBondContact O-N 3Å; L230-E342 WeakPolarHBondContact CD1-OE2 3.41Å |
| 231 | N | 37.3 | Very low | 46.6 | Very low | 153 Ų | 153 | 83.6 Ų | 83.6 | 82% | 0.818 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -5.3 | 178.3 | -79.5 | -0.7 | 0 | 0 | 0 | 113.8 | K227 A229 | K227-N231 PolarHBondContact O-N 3.47Å; A229-N231 PolarHBondContact O-N 3.12Å |
| 232 | K | 41.7 | Very low | 47.6 | Very low | 97 Ų | 97 | 78.8 Ų | 78.8 | 42% | 0.422 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -28.4 | -177.2 | -76.9 | -173.4 | 175.9 | -163.2 | 0 | 113.6 | P206 K228 A229 L230 K234 | P206-K232 WeakPolarHBondContact CB-O 3.3Å; P206-K232 WeakPolarHBondContact CG-O 3.1Å; K228-K232 VanDerWaalsContact O-CB 3.31Å; K228-K232 WeakPolarHBondContact O-CB 3.39Å; K228-K232 VanDerWaalsContact O-CD 3.25Å; K228-K232 WeakPolarHBondContact O-CD 3.33Å; K228-K232 WeakPolarHBondContact O-CG 2.97Å; A229-K232 PolarHBondContact O-N 3.09Å; A229-K232 VanDerWaalsContact O-N 3.08Å; L230-K232 PolarHBondContact O-N 3Å; K232-K234 PolarHBondContact O-N 3.39Å |
| 233 | V | 47 | Very low | 48.6 | Very low | 27 Ų | 27 | 79.3 Ų | 79.3 | 16% | 0.164 | 43% | 0.427 | C | S | . | . | trans | -96.8 | 69.8 | -169 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | P206 A229 V235 T283 | P206-V233 HydrophobicContact CG-CG2 4.34Å; A229-V233 WeakPolarHBondContact O-CG2 3.32Å; A229-V233 PolarHBondContact O-N 2.96Å; V233-V235 HydrophobicContact CG1-CB 4.35Å; V233-V235 HydrophobicContact CG1-CG2 3.43Å; V233-V235 VanDerWaalsContact CG1-CG2 3.43Å; V233-V235 PolarHBondContact O-N 3.39Å; V233-T283 PolarHBondContact O-OG1 3.44Å | ||
| 234 | K | 49.7 | Very low | 49.5 | Very low | 119 Ų | 119 | 80.5 Ų | 80.5 | 52% | 0.517 | 44% | 0.443 | S | S | . | . | trans | -85 | 74.3 | 153.7 | -79.7 | -173.6 | 178.1 | -179.6 | 0 | 108 | K232 L236 | K232-K234 PolarHBondContact O-N 3.39Å; K234-L236 PolarHBondContact O-N 3.28Å; K234-L236 VanDerWaalsContact O-N 3.08Å | ||
| 235 | V | 53.6 | Low | 49.6 | Very low | 5 Ų | 5 | 85.3 Ų | 85.3 | 3% | 0.03 | 46% | 0.458 | C | S | . | . | trans | -67.5 | 107.3 | 167.2 | 169.6 | 0 | 0 | 0 | 0 | 106.5 | I203 V233 T283 | I203-V235 HydrophobicContact CB-CG1 4.17Å; I203-V235 HydrophobicContact CG1-CG1 4.3Å; I203-V235 HydrophobicContact CG2-CG1 3.45Å; I203-V235 VanDerWaalsContact CG2-CG1 3.45Å; I203-V235 HydrophobicContact CG2-CG2 4.32Å; V233-V235 HydrophobicContact CG1-CB 4.35Å; V233-V235 HydrophobicContact CG1-CG2 3.43Å; V233-V235 VanDerWaalsContact CG1-CG2 3.43Å; V233-V235 PolarHBondContact O-N 3.39Å; V235-T283 HydrophobicContact CB-CG2 3.89Å; V235-T283 HydrophobicContact CG2-CG2 4.44Å | ||
| 236 | L | 55.1 | Low | 49.9 | Very low | 61 Ų | 61 | 83.9 Ų | 83.9 | 32% | 0.319 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 129.2 | 164.4 | -87.2 | 124.4 | 0 | 0 | 0 | 107.7 | K234 T238 | K234-L236 PolarHBondContact O-N 3.28Å; K234-L236 VanDerWaalsContact O-N 3.08Å; L236-T238 HydrophobicContact CB-CG2 4.08Å; L236-T238 PolarHBondContact O-N 3.18Å; L236-T238 VanDerWaalsContact O-N 3.12Å |
| 237 | I | 61.2 | Low | 50.4 | Low | 18 Ų | 18 | 82.2 Ų | 82.2 | 9% | 0.092 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 105.9 | 160.8 | -78.7 | 175.5 | 0 | 0 | 0 | 106.4 | V201 Y202 L276 S281 | V201-I237 HydrophobicContact CB-CG2 3.99Å; V201-I237 HydrophobicContact CG1-CB 3.72Å; V201-I237 HydrophobicContact CG1-CD1 4.15Å; V201-I237 HydrophobicContact CG1-CG1 3.66Å; V201-I237 HydrophobicContact CG1-CG2 3.19Å; V201-I237 HydrophobicContact CG2-CG2 3.59Å; Y202-I237 WeakPolarHBondContact O-CA 3.39Å; I237-L276 HydrophobicContact CD1-CD1 4.28Å; I237-S281 WeakPolarHBondContact CB-O 3.37Å; I237-S281 PolarHBondContact N-O 3.23Å |
| 238 | T | 62.8 | Low | 51.2 | Low | 44 Ų | 44 | 78 Ų | 78 | 27% | 0.27 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 141.2 | 177.8 | 63 | 0 | 0 | 0 | 0 | 110.1 | Y202 L236 E240 | Y202-T238 PolarHBondContact N-O 3.45Å; Y202-T238 PolarHBondContact O-N 2.95Å; Y202-T238 VanDerWaalsContact O-N 3.1Å; L236-T238 HydrophobicContact CB-CG2 4.08Å; L236-T238 PolarHBondContact O-N 3.18Å; L236-T238 VanDerWaalsContact O-N 3.12Å; T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 PolarHBondContact OG1-O 3.37Å; T238-E240 VanDerWaalsContact OG1-O 3.11Å |
| 239 | N | 62.6 | Low | 52.2 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -79.7 | -19.3 | 171.1 | -61.3 | -29.6 | 0 | 0 | 0 | 111.4 | K199 | K199-N239 WeakPolarHBondContact CE-OD1 3.44Š|
| 240 | E | 60.6 | Low | 53.1 | Low | 160 Ų | 160 | 77.9 Ų | 77.9 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -84.6 | 139 | 178.6 | -63.5 | -172.6 | 171 | 0 | 0 | 111 | Y202 T238 P242 | Y202-E240 VanDerWaalsContact CD2-O 3.29Å; Y202-E240 WeakPolarHBondContact CD2-O 3.41Å; T238-E240 VanDerWaalsContact C-N 3.3Å; T238-E240 PolarHBondContact OG1-O 3.37Å; T238-E240 VanDerWaalsContact OG1-O 3.11Å; E240-P242 VanDerWaalsContact O-CD 3.24Å; E240-P242 WeakPolarHBondContact O-CD 3.41Å |
| 241 | K | 58.8 | Low | 54.5 | Low | 128 Ų | 128 | 79.5 Ų | 79.5 | 56% | 0.557 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 116.5 | 177.9 | -171.9 | 171.1 | -175.3 | 165.6 | 0 | 108.8 | E180 Y202 | E180-K241 WeakPolarHBondContact OE2-CE 3.42Å; E180-K241 IonicContact OE2-NZ 3.03Å; E180-K241 PolarHBondContact OE2-NZ 3.07Å; Y202-K241 HydrophobicContact CE1-CB 4.4Å; Y202-K241 HydrophobicContact CE1-CG 4.04Å; Y202-K241 HydrophobicContact CE2-CB 4Å |
| 242 | P | 59 | Low | 56.7 | Low | 23 Ų | 23 | 72.8 Ų | 72.8 | 15% | 0.149 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 158.9 | 175.1 | -17.3 | 30.3 | 0 | 0 | 0 | 111 | Y202 E240 A246 V247 | Y202-P242 VanDerWaalsContact CG-CD 3.5Å; Y202-P242 HydrophobicContact CG-CG 4.3Å; E240-P242 VanDerWaalsContact O-CD 3.24Å; E240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-A246 HydrophobicContact CB-CB 3.76Å; P242-V247 HydrophobicContact CB-CG2 4.4Å |
| 243 | T | 54.6 | Low | 58.8 | Low | 101 Ų | 101 | 72.2 Ų | 72.2 | 62% | 0.62 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -56.5 | 147.1 | 167.3 | 41.8 | 0 | 0 | 0 | 0 | 110.3 | E245 A246 | T243-E245 PolarHBondContact O-N 2.98Å; T243-A246 VanDerWaalsContact O-CB 3.28Å; T243-A246 WeakPolarHBondContact O-CB 3.48Å; T243-A246 PolarHBondContact O-N 3.35Å |
| 244 | A | 51.2 | Low | 60.8 | Low | 98 Ų | 98 | 72.1 Ų | 72.1 | 81% | 0.81 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -56.4 | -24.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | A246 | A244-A246 VanDerWaalsContact C-N 3.29Å; A244-A246 PolarHBondContact O-N 3.35Å |
| 245 | E | 45.6 | Very low | 62.8 | Low | 199 Ų | 199 | 66.8 Ų | 66.8 | 93% | 0.93 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -77.1 | -8 | 176.7 | -63.6 | -179.5 | 165.5 | 0 | 0 | 114 | T243 | T243-E245 PolarHBondContact O-N 2.98Š|
| 246 | A | 46.8 | Very low | 64.6 | Low | 3 Ų | 3 | 67.1 Ų | 67.1 | 3% | 0.025 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -104.7 | -6.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | S205 A208 P242 T243 A244 T248 | S205-A246 WeakPolarHBondContact CB-O 3.02Å; S205-A246 PolarHBondContact N-O 3.5Å; S205-A246 VanDerWaalsContact N-O 3.14Å; A208-A246 HydrophobicContact CB-CB 3.2Å; P242-A246 HydrophobicContact CB-CB 3.76Å; T243-A246 VanDerWaalsContact O-CB 3.28Å; T243-A246 WeakPolarHBondContact O-CB 3.48Å; T243-A246 PolarHBondContact O-N 3.35Å; A244-A246 VanDerWaalsContact C-N 3.29Å; A244-A246 PolarHBondContact O-N 3.35Å; A246-T248 PolarHBondContact O-N 3.4Å |
| 247 | V | 49.7 | Very low | 66.4 | Low | 32 Ų | 32 | 64.8 Ų | 64.8 | 19% | 0.194 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -85.9 | 103.8 | -173.5 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | P242 L249 | P242-V247 HydrophobicContact CB-CG2 4.4Å; V247-L249 VanDerWaalsContact C-N 3.33Å; V247-L249 HydrophobicContact CG1-CB 4.23Å |
| 248 | T | 57.2 | Low | 67.8 | Low | 50 Ų | 50 | 64 Ų | 64 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | trans | -86.2 | 1.2 | 179.9 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | A246 N250 Y269 | A246-T248 PolarHBondContact O-N 3.4Å; T248-N250 PolarHBondContact O-N 3.44Å; T248-Y269 VanDerWaalsContact O-CE1 3.29Å; T248-Y269 WeakPolarHBondContact O-CE1 3.43Å | ||
| 249 | L | 60.3 | Low | 69 | Low | 7 Ų | 7 | 63.3 Ų | 63.3 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -77.8 | -17.1 | -169.3 | -88.6 | 157.1 | 0 | 0 | 0 | 115.4 | L177 I182 I203 V247 D251 C252 | L177-L249 HydrophobicContact CD1-CD2 3.98Å; I182-L249 HydrophobicContact CG1-CD2 4.46Å; I203-L249 HydrophobicContact CB-CD1 4.09Å; I203-L249 HydrophobicContact CB-CG 4.31Å; I203-L249 HydrophobicContact CD1-CD1 4.08Å; I203-L249 HydrophobicContact CD1-CD2 3.85Å; I203-L249 HydrophobicContact CD1-CG 4.1Å; I203-L249 HydrophobicContact CG1-CD1 4.42Å; V247-L249 VanDerWaalsContact C-N 3.33Å; V247-L249 HydrophobicContact CG1-CB 4.23Å; L249-D251 PolarHBondContact O-N 2.85Å; L249-D251 VanDerWaalsContact O-N 3.17Å; L249-C252 HydrophobicContact CD2-CB 4.01Å; L249-C252 VanDerWaalsContact O-CB 3.31Å; L249-C252 WeakPolarHBondContact O-CB 3.46Å; L249-C252 PolarHBondContact O-N 2.83Å |
| 250 | N | 60.6 | Low | 70.1 | Confident | 126 Ų | 126 | 58.6 Ų | 58.6 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -60.6 | -25.4 | 177.5 | -75.9 | -25.9 | 0 | 0 | 0 | 113 | S179 T248 | S179-N250 PolarHBondContact O-OD1 2.75Å; T248-N250 PolarHBondContact O-N 3.44Å |
| 251 | D | 70.1 | Confident | 71.2 | Confident | 113 Ų | 113 | 52.3 Ų | 52.3 | 60% | 0.604 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -98.5 | 4.7 | 179.5 | -64.2 | -27.2 | 0 | 0 | 0 | 113.1 | L249 L253 Y269 P270 | L249-D251 PolarHBondContact O-N 2.85Å; L249-D251 VanDerWaalsContact O-N 3.17Å; D251-L253 PolarHBondContact O-N 2.78Å; D251-Y269 HydrophobicContact CB-CD1 4.49Å; D251-P270 WeakPolarHBondContact O-CD 3.44Å |
| 252 | C | 82.7 | Confident | 72.4 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | trans | -71.8 | 115.9 | 178.5 | -173 | 0 | 0 | 0 | 0 | 110.1 | L249 Y269 | L249-C252 HydrophobicContact CD2-CB 4.01Å; L249-C252 VanDerWaalsContact O-CB 3.31Å; L249-C252 WeakPolarHBondContact O-CB 3.46Å; L249-C252 PolarHBondContact O-N 2.83Å; C252-Y269 HydrophobicContact CB-CE1 3.92Å | ||
| 253 | L | 84.9 | Confident | 73.7 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 44% | 0.44 | 27% | 0.27 | S | S | . | . | trans | -82.9 | -32.7 | -175.5 | -61.3 | -180 | 0 | 0 | 0 | 112.7 | D251 L268 P270 F296 | D251-L253 PolarHBondContact O-N 2.78Å; L253-L268 HydrophobicContact CB-CD2 4.16Å; L253-L268 HydrophobicContact CB-CG 4.22Å; L253-L268 HydrophobicContact CD1-CG 4.5Å; L253-L268 PolarHBondContact N-O 3.09Å; L253-P270 HydrophobicContact CD1-CG 4.09Å; L253-P270 HydrophobicContact CG-CG 4.33Å; L253-F296 WeakPolarHBondContact CD1-O 3.42Å | ||
| 254 | Q | 89.4 | Confident | 75.3 | Confident | 25 Ų | 25 | 43.7 Ų | 43.7 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 142.5 | -173.3 | -176.7 | 180 | -21.3 | 0 | 0 | 111.4 | L268 V299 | Q254-L268 HydrophobicContact CB-CB 3.91Å; Q254-L268 HydrophobicContact CB-CD2 4.05Å; Q254-L268 PolarHBondContact O-N 2.89Å; Q254-V299 PolarHBondContact NE2-O 3.4Å; Q254-V299 PolarHBondContact OE1-O 2.89Å |
| 255 | L | 91.4 | Very high | 77.2 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.4 | 169.2 | -179.9 | 151.2 | 0 | 0 | 0 | 108.7 | A175 L177 I182 M265 L267 | A175-L255 HydrophobicContact CB-CD2 3.77Å; L177-L255 HydrophobicContact CB-CB 4.36Å; L177-L255 HydrophobicContact CB-CD1 4.37Å; L177-L255 HydrophobicContact CD1-CD1 4.42Å; L177-L255 HydrophobicContact CD2-CB 4.49Å; I182-L255 HydrophobicContact CB-CD1 4.44Å; I182-L255 HydrophobicContact CD1-CD1 3.62Å; I182-L255 HydrophobicContact CG1-CD1 3.78Å; I182-L255 HydrophobicContact CG2-CD1 3.81Å; L255-M265 HydrophobicContact CD1-CE 4.33Å; L255-M265 HydrophobicContact CD1-SD 3.93Å; L255-M265 HydrophobicContact CD2-SD 4.01Å; L255-M265 HydrophobicContact CG-CG 4.47Å; L255-M265 HydrophobicContact CG-SD 3.91Å; L255-L267 HydrophobicContact CB-CD2 4.1Å; L255-L267 HydrophobicContact CD1-CD2 3.81Å; L255-L267 HydrophobicContact CG-CD2 3.9Å |
| 256 | S | 92.1 | Very high | 79.4 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 139.8 | 175.4 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | L266 | S256-L266 PolarHBondContact N-O 3.04Å; S256-L266 PolarHBondContact O-N 3.05Å |
| 257 | Y | 92.5 | Very high | 81.4 | Confident | 13 Ų | 13 | 29.4 Ų | 29.4 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 149.8 | 166 | -74.8 | -93.1 | 0 | 0 | 0 | 111 | S165 F166 D167 A175 P259 L278 | S165-Y257 WeakPolarHBondContact O-CE2 3.48Å; S165-Y257 PolarHBondContact OG-N 3.41Å; F166-Y257 WeakPolarHBondContact O-CD2 3.18Å; D167-Y257 HydrophobicContact CB-CD1 4.2Å; D167-Y257 HydrophobicContact CB-CE1 4.04Å; D167-Y257 HydrophobicContact CB-CG 4.49Å; A175-Y257 HydrophobicContact CB-CE2 3.58Å; Y257-P259 WeakPolarHBondContact O-CD 3.38Å; Y257-L278 HydrophobicContact CD1-CD1 4.22Å; Y257-L278 HydrophobicContact CE1-CD1 3.5Å; Y257-L278 VanDerWaalsContact CE1-CD1 3.5Å |
| 258 | L | 90.6 | Very high | 83.4 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | trans | -81.9 | 122.8 | 171.2 | -83 | 75.7 | 0 | 0 | 0 | 109.4 | S260 H264 L266 | L258-S260 VanDerWaalsContact C-N 3.3Å; L258-H264 HydrophobicContact CB-CB 4.15Å; L258-H264 HydrophobicContact CD1-CB 4.1Å; L258-H264 HydrophobicContact CD2-CB 4.18Å; L258-H264 HydrophobicContact CG-CB 4.38Å; L258-H264 PolarHBondContact N-O 3.47Å; L258-L266 HydrophobicContact CD1-CB 3.78Å | ||
| 259 | P | 88.8 | Confident | 84.8 | Confident | 28 Ų | 28 | 26.1 Ų | 26.1 | 18% | 0.182 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -76.5 | -16.7 | 174.7 | 31.1 | -33.4 | 0 | 0 | 0 | 113.1 | P168 F169 Y257 P301 A303 | P168-P259 HydrophobicContact CB-CB 4.38Å; P168-P259 HydrophobicContact CG-CB 4.12Å; F169-P259 WeakPolarHBondContact CZ-O 3.31Å; Y257-P259 WeakPolarHBondContact O-CD 3.38Å; P259-P301 HydrophobicContact CG-CB 4.49Å; P259-P301 HydrophobicContact CG-CG 4.42Å; P259-A303 HydrophobicContact CB-CB 3.81Å; P259-A303 HydrophobicContact CG-CB 4.02Å |
| 260 | S | 85.4 | Confident | 86.1 | Confident | 7 Ų | 7 | 27.9 Ų | 27.9 | 5% | 0.049 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -78.1 | -29.8 | 176.8 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | L258 D306 | L258-S260 VanDerWaalsContact C-N 3.3Å; S260-D306 PolarHBondContact OG-OD1 2.89Å |
| 261 | K | 83.7 | Confident | 87.3 | Confident | 27 Ų | 27 | 30 Ų | 30 | 12% | 0.117 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -139.9 | 124.1 | -170 | -72.5 | 179.5 | 172.3 | 163.9 | 0 | 112 | H264 D306 L343 F982 | K261-H264 HydrophobicContact CB-CB 4.25Å; K261-D306 WeakPolarHBondContact CE-OD2 3.49Å; K261-D306 IonicContact NZ-OD2 2.78Å; K261-D306 PolarHBondContact NZ-OD2 3.45Å; K261-L343 VanDerWaalsContact NZ-CD2 3.33Å; K261-F982 HydrophobicContact CD-CZ 4.48Å; K261-F982 HydrophobicContact CG-CZ 4.22Å |
| 262 | R | 84.8 | Confident | 88.1 | Confident | 33 Ų | 33 | 27.3 Ų | 27.3 | 13% | 0.125 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 145.8 | 175.6 | -173.2 | 171.3 | -176.7 | 150.7 | 7.8 | 112.1 | F169 H264 D971 | F169-R262 HydrophobicContact CB-CG 4.36Å; F169-R262 HydrophobicContact CD1-CB 4.47Å; F169-R262 HydrophobicContact CD2-CB 3.94Å; F169-R262 HydrophobicContact CD2-CG 4.14Å; F169-R262 HydrophobicContact CE2-CB 4.05Å; F169-R262 HydrophobicContact CG-CB 4.16Å; F169-R262 HydrophobicContact CG-CG 4.19Å; F169-R262 HydrophobicContact CZ-CB 4.36Å; R262-H264 PolarHBondContact O-N 3.25Å; R262-H264 VanDerWaalsContact O-N 3.15Å; R262-H264 PolarHBondContact O-ND1 3.34Å; R262-D971 WeakPolarHBondContact CD-OD2 3.49Å; R262-D971 IonicContact CZ-OD2 3.72Å; R262-D971 IonicContact NE-OD2 2.82Å; R262-D971 IonicContact NH1-OD2 2.67Å; R262-D971 PolarHBondContact NH1-OD2 3.44Å |
| 263 | N | 84.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 26.7 Ų | 26.7 | 17% | 0.166 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 15.9 | 177.3 | -58.5 | -23.6 | 0 | 0 | 0 | 115 | L278 E279 | N263-L278 WeakPolarHBondContact O-CB 3.3Å; N263-L278 WeakPolarHBondContact O-CG 3.39Å; N263-L278 PolarHBondContact O-N 2.88Å; N263-E279 HydrophobicContact CB-CG 4.11Å; N263-E279 PolarHBondContact ND2-OE1 2.93Å |
| 264 | H | 88.5 | Confident | 88.5 | Confident | 7 Ų | 7 | 22.8 Ų | 22.8 | 3% | 0.032 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.6 | 173.9 | -70.9 | 67.5 | 0 | 0 | 0 | 110.9 | L258 K261 R262 L276 | L258-H264 HydrophobicContact CB-CB 4.15Å; L258-H264 HydrophobicContact CD1-CB 4.1Å; L258-H264 HydrophobicContact CD2-CB 4.18Å; L258-H264 HydrophobicContact CG-CB 4.38Å; L258-H264 PolarHBondContact N-O 3.47Å; K261-H264 HydrophobicContact CB-CB 4.25Å; R262-H264 PolarHBondContact O-N 3.25Å; R262-H264 VanDerWaalsContact O-N 3.15Å; R262-H264 PolarHBondContact O-ND1 3.34Å; H264-L276 CarbonylContact C-O 3.56Å; H264-L276 WeakPolarHBondContact CA-O 3.41Å |
| 265 | M | 90.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142.1 | 178.7 | -171.8 | 177.5 | 68.4 | 0 | 0 | 110.7 | A175 I182 F184 L255 L267 I275 L276 L278 | A175-M265 HydrophobicContact CB-SD 4.4Å; I182-M265 HydrophobicContact CD1-CE 3.82Å; F184-M265 HydrophobicContact CE1-CE 4.43Å; F184-M265 HydrophobicContact CE1-SD 4.05Å; F184-M265 HydrophobicContact CZ-CE 3.91Å; F184-M265 HydrophobicContact CZ-SD 4.14Å; L255-M265 HydrophobicContact CD1-CE 4.33Å; L255-M265 HydrophobicContact CD1-SD 3.93Å; L255-M265 HydrophobicContact CD2-SD 4.01Å; L255-M265 HydrophobicContact CG-CG 4.47Å; L255-M265 HydrophobicContact CG-SD 3.91Å; M265-L267 HydrophobicContact CE-CD2 4.08Å; M265-L267 HydrophobicContact CE-CG 4.36Å; M265-I275 WeakPolarHBondContact O-CA 3.26Å; M265-L276 HydrophobicContact CE-CD1 3.71Å; M265-L276 PolarHBondContact N-O 3.44Å; M265-L276 PolarHBondContact O-N 2.62Å; M265-L278 HydrophobicContact CB-CD1 4.38Å; M265-L278 HydrophobicContact CB-CD2 4.08Å; M265-L278 HydrophobicContact CB-CG 4.3Å; M265-L278 HydrophobicContact CE-CD2 4.09Å; M265-L278 HydrophobicContact SD-CD2 4.38Å |
| 266 | L | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 133.2 | 177.7 | -175.4 | 150.7 | 0 | 0 | 0 | 110.1 | S256 L258 L268 I273 L274 V299 L308 | S256-L266 PolarHBondContact N-O 3.04Å; S256-L266 PolarHBondContact O-N 3.05Å; L258-L266 HydrophobicContact CD1-CB 3.78Å; L266-L268 HydrophobicContact CD2-CB 4.25Å; L266-I273 HydrophobicContact CD1-CG2 3.64Å; L266-I273 HydrophobicContact CD2-CG2 3.98Å; L266-I273 HydrophobicContact CG-CG2 3.58Å; L266-L274 WeakPolarHBondContact CA-O 3.36Å; L266-V299 HydrophobicContact CD1-CG1 3.84Å; L266-V299 HydrophobicContact CD2-CB 4.39Å; L266-L308 HydrophobicContact CD1-CD1 4.25Å; L266-L308 HydrophobicContact CD1-CD2 3.84Å |
| 267 | L | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 129.4 | 168.5 | -60.3 | 176 | 0 | 0 | 0 | 109.8 | I182 I203 L255 M265 Y269 L274 L276 | I182-L267 HydrophobicContact CD1-CD1 4.21Å; I182-L267 HydrophobicContact CD1-CD2 3.84Å; I203-L267 HydrophobicContact CD1-CD1 3.25Å; I203-L267 HydrophobicContact CG1-CD1 4.37Å; L255-L267 HydrophobicContact CB-CD2 4.1Å; L255-L267 HydrophobicContact CD1-CD2 3.81Å; L255-L267 HydrophobicContact CG-CD2 3.9Å; M265-L267 HydrophobicContact CE-CD2 4.08Å; M265-L267 HydrophobicContact CE-CG 4.36Å; L267-Y269 HydrophobicContact CB-CE2 4.19Å; L267-L274 HydrophobicContact CB-CB 4.34Å; L267-L274 PolarHBondContact N-O 3.34Å; L267-L274 PolarHBondContact O-N 3.07Å; L267-L276 HydrophobicContact CD1-CD1 3.36Å; L267-L276 HydrophobicContact CD1-CG 4.21Å; L267-L276 HydrophobicContact CG-CD1 3.99Å |
| 268 | L | 90.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.6 | -177.9 | -178 | 61.4 | 0 | 0 | 0 | 111.3 | L253 Q254 L266 I273 F296 V299 | L253-L268 HydrophobicContact CB-CD2 4.16Å; L253-L268 HydrophobicContact CB-CG 4.22Å; L253-L268 HydrophobicContact CD1-CG 4.5Å; L253-L268 PolarHBondContact N-O 3.09Å; Q254-L268 HydrophobicContact CB-CB 3.91Å; Q254-L268 HydrophobicContact CB-CD2 4.05Å; Q254-L268 PolarHBondContact O-N 2.89Å; L266-L268 HydrophobicContact CD2-CB 4.25Å; L268-I273 HydrophobicContact CD1-CG1 3.87Å; L268-F296 HydrophobicContact CD1-CB 3.78Å; L268-F296 HydrophobicContact CD1-CD2 4.15Å; L268-F296 HydrophobicContact CD1-CG 4.18Å; L268-V299 HydrophobicContact CD1-CG2 3.54Å; L268-V299 HydrophobicContact CD2-CB 4.43Å; L268-V299 HydrophobicContact CD2-CG2 4.03Å; L268-V299 HydrophobicContact CG-CG2 4.36Å |
| 269 | Y | 87.9 | Confident | 86.9 | Confident | 13 Ų | 13 | 23.9 Ų | 23.9 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | trans | -112.3 | 161.3 | 165.9 | -64 | -82.6 | 0 | 0 | 0 | 110.1 | T248 D251 C252 L267 R271 E272 L274 | T248-Y269 VanDerWaalsContact O-CE1 3.29Å; T248-Y269 WeakPolarHBondContact O-CE1 3.43Å; D251-Y269 HydrophobicContact CB-CD1 4.49Å; C252-Y269 HydrophobicContact CB-CE1 3.92Å; L267-Y269 HydrophobicContact CB-CE2 4.19Å; Y269-R271 PolarHBondContact O-N 2.81Å; Y269-E272 CarbonylContact C-O 3.52Å; Y269-E272 WeakPolarHBondContact CA-O 3.35Å; Y269-E272 WeakPolarHBondContact CB-O 3.3Å; Y269-E272 HydrophobicContact CD2-CG 4.14Å; Y269-E272 HydrophobicContact CG-CG 4.29Å; Y269-E272 PolarHBondContact N-O 2.92Å; Y269-E272 PolarHBondContact O-N 3.31Å; Y269-E272 VanDerWaalsContact O-O 3.07Å; Y269-L274 HydrophobicContact CD2-CD1 4.18Å; Y269-L274 HydrophobicContact CD2-CG 4.18Å; Y269-L274 HydrophobicContact CE2-CD1 3.64Å; Y269-L274 HydrophobicContact CE2-CG 4.08Å | ||
| 270 | P | 86.4 | Confident | 86.1 | Confident | 44 Ų | 44 | 22.6 Ų | 22.6 | 29% | 0.286 | 10% | 0.103 | S | C | . | . | S | Bend | trans | -55.9 | -27.1 | -179 | -27.2 | 34.1 | 0 | 0 | 0 | 114.5 | D251 L253 P295 F296 | D251-P270 WeakPolarHBondContact O-CD 3.44Å; L253-P270 HydrophobicContact CD1-CG 4.09Å; L253-P270 HydrophobicContact CG-CG 4.33Å; P270-P295 HydrophobicContact CB-CB 4.25Å; P270-P295 CarbonylContact O-C 3.53Å; P270-P295 WeakPolarHBondContact O-CA 3.47Å; P270-P295 WeakPolarHBondContact O-CB 3.34Å; P270-F296 PolarHBondContact O-N 3.07Å |
| 271 | R | 85.8 | Confident | 85.7 | Confident | 170 Ų | 170 | 23.2 Ų | 23.2 | 64% | 0.642 | 11% | 0.107 | S | C | * | . | S | Bend | trans | -122.8 | -2.4 | -177.2 | -69.5 | -171.9 | 173.1 | 171 | -1.2 | 115.2 | Y269 I289 | Y269-R271 PolarHBondContact O-N 2.81Å; R271-I289 WeakPolarHBondContact O-CG1 3.47Å; R271-I289 PolarHBondContact O-N 3.08Å |
| 272 | E | 86.6 | Confident | 85.3 | Confident | 57 Ų | 57 | 22.2 Ų | 22.2 | 27% | 0.266 | 10% | 0.103 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 148 | -177.5 | 60.1 | -173.3 | -176.1 | 0 | 0 | 111.4 | Y269 L274 V287 | Y269-E272 CarbonylContact C-O 3.52Å; Y269-E272 WeakPolarHBondContact CA-O 3.35Å; Y269-E272 WeakPolarHBondContact CB-O 3.3Å; Y269-E272 HydrophobicContact CD2-CG 4.14Å; Y269-E272 HydrophobicContact CG-CG 4.29Å; Y269-E272 PolarHBondContact N-O 2.92Å; Y269-E272 PolarHBondContact O-N 3.31Å; Y269-E272 VanDerWaalsContact O-O 3.07Å; E272-L274 HydrophobicContact CG-CD2 4.48Å; E272-V287 CarbonylContact C-O 3.5Å; E272-V287 WeakPolarHBondContact CA-O 3.15Å |
| 273 | I | 88.9 | Confident | 84.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.3 | 171.4 | -49.8 | 170.6 | 0 | 0 | 0 | 106.4 | L266 L268 V286 V287 F296 V299 | L266-I273 HydrophobicContact CD1-CG2 3.64Å; L266-I273 HydrophobicContact CD2-CG2 3.98Å; L266-I273 HydrophobicContact CG-CG2 3.58Å; L268-I273 HydrophobicContact CD1-CG1 3.87Å; I273-V286 WeakPolarHBondContact O-CA 3.49Å; I273-V287 HydrophobicContact CB-CB 4Å; I273-V287 HydrophobicContact CD1-CB 4.18Å; I273-V287 HydrophobicContact CD1-CG1 4.35Å; I273-V287 HydrophobicContact CG1-CB 4.33Å; I273-V287 PolarHBondContact N-O 3.2Å; I273-V287 PolarHBondContact O-N 2.71Å; I273-F296 HydrophobicContact CD1-CD2 4.3Å; I273-F296 HydrophobicContact CD1-CE1 4.39Å; I273-F296 HydrophobicContact CD1-CE2 3.86Å; I273-F296 HydrophobicContact CD1-CZ 3.91Å; I273-F296 HydrophobicContact CG1-CD2 3.9Å; I273-F296 HydrophobicContact CG1-CE2 3.66Å; I273-F296 HydrophobicContact CG1-CZ 4.25Å; I273-V299 HydrophobicContact CD1-CG2 3.73Å; I273-V299 HydrophobicContact CG1-CG2 4.26Å |
| 274 | L | 86.9 | Confident | 84.7 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.8 | 175.4 | -54.2 | -176.3 | 0 | 0 | 0 | 109.2 | L266 L267 Y269 E272 T283 V286 | L266-L274 WeakPolarHBondContact CA-O 3.36Å; L267-L274 HydrophobicContact CB-CB 4.34Å; L267-L274 PolarHBondContact N-O 3.34Å; L267-L274 PolarHBondContact O-N 3.07Å; Y269-L274 HydrophobicContact CD2-CD1 4.18Å; Y269-L274 HydrophobicContact CD2-CG 4.18Å; Y269-L274 HydrophobicContact CE2-CD1 3.64Å; Y269-L274 HydrophobicContact CE2-CG 4.08Å; E272-L274 HydrophobicContact CG-CD2 4.48Å; L274-T283 HydrophobicContact CB-CG2 4.41Å; L274-T283 HydrophobicContact CD1-CG2 4.43Å; L274-V286 HydrophobicContact CD2-CB 4.45Å; L274-V286 HydrophobicContact CD2-CG1 4.03Å; L274-V286 HydrophobicContact CD2-CG2 3.85Å |
| 275 | I | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 116.5 | 173 | -59.3 | 171.9 | 0 | 0 | 0 | 107.1 | M265 V284 G285 Y345 | M265-I275 WeakPolarHBondContact O-CA 3.26Å; I275-V284 PolarHBondContact O-N 2.91Å; I275-G285 PolarHBondContact N-O 3.22Å; I275-G285 PolarHBondContact O-N 3.49Å; I275-Y345 HydrophobicContact CD1-CD2 3.76Å; I275-Y345 HydrophobicContact CD1-CE2 3.07Å |
| 276 | L | 86.1 | Confident | 83.9 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 137 | -177.5 | -60.5 | 178.5 | 0 | 0 | 0 | 110.1 | I237 H264 M265 L267 Q282 T283 | I237-L276 HydrophobicContact CD1-CD1 4.28Å; H264-L276 CarbonylContact C-O 3.56Å; H264-L276 WeakPolarHBondContact CA-O 3.41Å; M265-L276 HydrophobicContact CE-CD1 3.71Å; M265-L276 PolarHBondContact N-O 3.44Å; M265-L276 PolarHBondContact O-N 2.62Å; L267-L276 HydrophobicContact CD1-CD1 3.36Å; L267-L276 HydrophobicContact CD1-CG 4.21Å; L267-L276 HydrophobicContact CG-CD1 3.99Å; L276-Q282 WeakPolarHBondContact CA-O 3.41Å; L276-T283 HydrophobicContact CD2-CG2 3.33Å |
| 277 | D | 85.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 119.9 | 162.3 | -178.2 | -22 | 0 | 0 | 0 | 108.5 | E279 L280 S281 Q282 V284 Q990 | D277-E279 VanDerWaalsContact C-N 3.35Å; D277-E279 WeakPolarHBondContact OD1-CB 3.14Å; D277-E279 PolarHBondContact OD1-N 3.4Å; D277-L280 HydrophobicContact CB-CB 4.47Å; D277-L280 PolarHBondContact OD1-N 2.77Å; D277-S281 VanDerWaalsContact O-CA 3.26Å; D277-S281 WeakPolarHBondContact O-CA 3.44Å; D277-S281 PolarHBondContact O-N 2.99Å; D277-Q282 PolarHBondContact N-O 3.13Å; D277-Q282 PolarHBondContact O-N 3.32Å; D277-V284 HydrophobicContact CB-CG2 3.51Å; D277-Q990 PolarHBondContact OD2-NE2 3.33Å |
| 278 | L | 83.4 | Confident | 83.2 | Confident | 36 Ų | 36 | 23.3 Ų | 23.3 | 19% | 0.188 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -26.2 | -176.7 | -62.2 | 178.1 | 0 | 0 | 0 | 112.7 | F184 Y257 N263 M265 S281 | F184-L278 HydrophobicContact CE1-CD1 4.32Å; F184-L278 HydrophobicContact CE1-CD2 3.84Å; F184-L278 HydrophobicContact CZ-CD2 3.61Å; Y257-L278 HydrophobicContact CD1-CD1 4.22Å; Y257-L278 HydrophobicContact CE1-CD1 3.5Å; Y257-L278 VanDerWaalsContact CE1-CD1 3.5Å; N263-L278 WeakPolarHBondContact O-CB 3.3Å; N263-L278 WeakPolarHBondContact O-CG 3.39Å; N263-L278 PolarHBondContact O-N 2.88Å; M265-L278 HydrophobicContact CB-CD1 4.38Å; M265-L278 HydrophobicContact CB-CD2 4.08Å; M265-L278 HydrophobicContact CB-CG 4.3Å; M265-L278 HydrophobicContact CE-CD2 4.09Å; M265-L278 HydrophobicContact SD-CD2 4.38Å; L278-S281 PolarHBondContact O-OG 2.96Å |
| 279 | E | 79.6 | Confident | 82.6 | Confident | 46 Ų | 46 | 24.8 Ų | 24.8 | 22% | 0.215 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -47.2 | 178.5 | -67.7 | -178.3 | -176.6 | 0 | 0 | 111.3 | N263 D277 S281 R986 K1002 Q1006 | N263-E279 HydrophobicContact CB-CG 4.11Å; N263-E279 PolarHBondContact ND2-OE1 2.93Å; D277-E279 VanDerWaalsContact C-N 3.35Å; D277-E279 WeakPolarHBondContact OD1-CB 3.14Å; D277-E279 PolarHBondContact OD1-N 3.4Å; E279-S281 VanDerWaalsContact C-N 3.33Å; E279-R986 IonicContact OE1-CZ 3.97Å; E279-R986 VanDerWaalsContact OE1-CZ 3.27Å; E279-R986 IonicContact OE1-NH1 3.83Å; E279-R986 PolarHBondContact OE1-NH1 2.86Å; E279-R986 VanDerWaalsContact OE1-NH1 3.09Å; E279-R986 IonicContact OE1-NH2 2.78Å; E279-R986 PolarHBondContact OE1-NH2 2.91Å; E279-R986 IonicContact OE2-CZ 3.99Å; E279-R986 IonicContact OE2-NE 3.02Å; E279-R986 IonicContact OE2-NH1 2.86Å; E279-R986 IonicContact OE2-NH2 2.6Å; E279-R986 PolarHBondContact OE2-NH2 2.89Å; E279-K1002 PolarHBondContact O-NZ 3.33Å; E279-Q1006 PolarHBondContact OE2-NE2 2.86Å |
| 280 | L | 73.4 | Confident | 81.9 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22.9 | 173 | -83.3 | -161.2 | 0 | 0 | 0 | 113.4 | D277 Q282 Q990 | D277-L280 HydrophobicContact CB-CB 4.47Å; D277-L280 PolarHBondContact OD1-N 2.77Å; L280-Q282 VanDerWaalsContact C-N 3.3Å; L280-Q282 HydrophobicContact CB-CB 4.27Å; L280-Q990 VanDerWaalsContact CD1-CA 3.5Å; L280-Q990 HydrophobicContact CD1-CB 3.37Å; L280-Q990 HydrophobicContact CD1-CG 3.38Å; L280-Q990 HydrophobicContact CD2-CB 4.16Å; L280-Q990 HydrophobicContact CD2-CG 4.22Å; L280-Q990 HydrophobicContact CG-CB 3.82Å; L280-Q990 HydrophobicContact CG-CG 3.49Å; L280-Q990 VanDerWaalsContact CG-CG 3.49Å |
| 281 | S | 76.2 | Confident | 81 | Confident | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 39 | -174 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | I237 D277 L278 E279 | I237-S281 WeakPolarHBondContact CB-O 3.37Å; I237-S281 PolarHBondContact N-O 3.23Å; D277-S281 VanDerWaalsContact O-CA 3.26Å; D277-S281 WeakPolarHBondContact O-CA 3.44Å; D277-S281 PolarHBondContact O-N 2.99Å; L278-S281 PolarHBondContact O-OG 2.96Å; E279-S281 VanDerWaalsContact C-N 3.33Å |
| 282 | Q | 75.6 | Confident | 80.4 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 157.6 | -175.5 | -172.4 | 170.8 | -12.4 | 0 | 0 | 112.8 | L276 D277 L280 K993 H999 | L276-Q282 WeakPolarHBondContact CA-O 3.41Å; D277-Q282 PolarHBondContact N-O 3.13Å; D277-Q282 PolarHBondContact O-N 3.32Å; L280-Q282 VanDerWaalsContact C-N 3.3Å; L280-Q282 HydrophobicContact CB-CB 4.27Å; Q282-K993 PolarHBondContact NE2-O 3.08Å; Q282-K993 PolarHBondContact OE1-O 2.83Å; Q282-K993 VanDerWaalsContact OE1-O 3.06Å; Q282-H999 PolarHBondContact OE1-CE1 3.3Å; Q282-H999 PolarHBondContact OE1-ND1 3.39Å; Q282-H999 VanDerWaalsContact OE1-ND1 3.17Å |
| 283 | T | 77.1 | Confident | 79.9 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 122.1 | 171.3 | 40.3 | 0 | 0 | 0 | 0 | 113 | V233 V235 L274 L276 | V233-T283 PolarHBondContact O-OG1 3.44Å; V235-T283 HydrophobicContact CB-CG2 3.89Å; V235-T283 HydrophobicContact CG2-CG2 4.44Å; L274-T283 HydrophobicContact CB-CG2 4.41Å; L274-T283 HydrophobicContact CD1-CG2 4.43Å; L276-T283 HydrophobicContact CD2-CG2 3.33Å |
| 284 | V | 79.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | -32.8 | -177.4 | 162.3 | 0 | 0 | 0 | 0 | 112.5 | I275 D277 L343 L989 K993 | I275-V284 PolarHBondContact O-N 2.91Å; D277-V284 HydrophobicContact CB-CG2 3.51Å; V284-L343 HydrophobicContact CG1-CB 3.99Å; V284-L343 HydrophobicContact CG1-CD1 3.3Å; V284-L343 HydrophobicContact CG1-CG 4.1Å; V284-L343 PolarHBondContact O-N 3.41Å; V284-L989 HydrophobicContact CB-CD2 4.07Å; V284-L989 HydrophobicContact CG1-CD1 4.01Å; V284-L989 HydrophobicContact CG1-CD2 3.3Å; V284-L989 HydrophobicContact CG1-CG 4.25Å; V284-L989 HydrophobicContact CG2-CD2 3.7Å; V284-K993 PolarHBondContact O-NZ 3.17Å |
| 285 | G | 79.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 144 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I275 L343 | I275-G285 PolarHBondContact N-O 3.22Å; I275-G285 PolarHBondContact O-N 3.49Å; G285-L343 WeakPolarHBondContact CA-O 3.12Å |
| 286 | V | 82.3 | Confident | 80.3 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 120.7 | 173.3 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | I273 L274 A288 | I273-V286 WeakPolarHBondContact O-CA 3.49Å; L274-V286 HydrophobicContact CD2-CB 4.45Å; L274-V286 HydrophobicContact CD2-CG1 4.03Å; L274-V286 HydrophobicContact CD2-CG2 3.85Å; V286-A288 HydrophobicContact CG1-CB 4.49Å |
| 287 | V | 85.8 | Confident | 80.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 94.7 | 173.3 | -170.8 | 0 | 0 | 0 | 0 | 108 | E272 I273 Y345 | E272-V287 CarbonylContact C-O 3.5Å; E272-V287 WeakPolarHBondContact CA-O 3.15Å; I273-V287 HydrophobicContact CB-CB 4Å; I273-V287 HydrophobicContact CD1-CB 4.18Å; I273-V287 HydrophobicContact CD1-CG1 4.35Å; I273-V287 HydrophobicContact CG1-CB 4.33Å; I273-V287 PolarHBondContact N-O 3.2Å; I273-V287 PolarHBondContact O-N 2.71Å; V287-Y345 HydrophobicContact CG2-CD2 3.99Å; V287-Y345 HydrophobicContact CG2-CG 4.19Å |
| 288 | A | 81.9 | Confident | 81 | Confident | 42 Ų | 42 | 41.8 Ų | 41.8 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 149.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | V286 | V286-A288 HydrophobicContact CG1-CB 4.49Å |
| 289 | I | 79.3 | Confident | 81.6 | Confident | 30 Ų | 30 | 40.1 Ų | 40.1 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -83.7 | 140.7 | 170.1 | -53.7 | -177.8 | 0 | 0 | 0 | 109.3 | R271 G293 V294 F296 | R271-I289 WeakPolarHBondContact O-CG1 3.47Å; R271-I289 PolarHBondContact O-N 3.08Å; I289-G293 VanDerWaalsContact CG2-CA 3.42Å; I289-V294 VanDerWaalsContact CD1-O 3.23Å; I289-V294 WeakPolarHBondContact CD1-O 3.44Å; I289-F296 HydrophobicContact CD1-CD1 4.11Å; I289-F296 HydrophobicContact CD1-CD2 3.52Å; I289-F296 HydrophobicContact CD1-CE1 4.12Å; I289-F296 HydrophobicContact CD1-CE2 3.51Å; I289-F296 HydrophobicContact CD1-CG 3.82Å; I289-F296 HydrophobicContact CD1-CZ 3.82Å; I289-F296 HydrophobicContact CG1-CD2 3.83Å; I289-F296 HydrophobicContact CG1-CE1 4.25Å; I289-F296 HydrophobicContact CG1-CE2 3.26Å; I289-F296 HydrophobicContact CG1-CG 4.49Å; I289-F296 HydrophobicContact CG1-CZ 3.51Å |
| 290 | E | 73.5 | Confident | 82.3 | Confident | 163 Ų | 163 | 39.7 Ų | 39.7 | 76% | 0.762 | 22% | 0.218 | S | C | * | . | P | Polyproline II helix | trans | -64 | 161.2 | 172.7 | -63.1 | -170.8 | 167.5 | 0 | 0 | 112.2 | S292 G293 | E290-S292 PolarHBondContact O-N 3.23Å; E290-G293 PolarHBondContact O-N 3.31Å |
| 291 | R | 66.1 | Low | 83.3 | Confident | 229 Ų | 229 | 40.6 Ų | 40.6 | 86% | 0.864 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.6 | -171.2 | -90.8 | -177.2 | 177.7 | 169.5 | -0.7 | 115.4 | ||
| 292 | S | 72.9 | Confident | 84.1 | Confident | 114 Ų | 114 | 39.8 Ų | 39.8 | 80% | 0.797 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 0.5 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | E290 | E290-S292 PolarHBondContact O-N 3.23Š|
| 293 | G | 77.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 41.2 Ų | 41.2 | 32% | 0.32 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -76.5 | 154.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I289 E290 | I289-G293 VanDerWaalsContact CG2-CA 3.42Å; E290-G293 PolarHBondContact O-N 3.31Å |
| 294 | V | 87.9 | Confident | 85.1 | Confident | 51 Ų | 51 | 42 Ų | 42 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -79.4 | 132.5 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | I289 H312 E313 N314 | I289-V294 VanDerWaalsContact CD1-O 3.23Å; I289-V294 WeakPolarHBondContact CD1-O 3.44Å; V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.13Å; V294-H312 PolarHBondContact O-ND1 3.33Å; V294-E313 HydrophobicContact CG1-CB 3.83Å; V294-N314 HydrophobicContact CG1-CB 3.96Å; V294-N314 HydrophobicContact CG2-CB 4.33Å |
| 295 | P | 90.8 | Very high | 85.4 | Confident | 23 Ų | 23 | 43 Ų | 43 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -54.9 | 151.4 | -178.4 | -26.1 | 34.9 | 0 | 0 | 0 | 114.6 | P270 H312 E313 | P270-P295 HydrophobicContact CB-CB 4.25Å; P270-P295 CarbonylContact O-C 3.53Å; P270-P295 WeakPolarHBondContact O-CA 3.47Å; P270-P295 WeakPolarHBondContact O-CB 3.34Å; P295-H312 CarbonylContact O-C 3.57Å; P295-H312 VanDerWaalsContact O-CA 3.27Å; P295-H312 WeakPolarHBondContact O-CA 3.47Å; P295-E313 HydrophobicContact CB-CG 4.04Å; P295-E313 WeakPolarHBondContact CG-OE2 3.28Å; P295-E313 PolarHBondContact O-N 2.77Å |
| 296 | F | 92 | Very high | 85.8 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 146.6 | 171.2 | -61.9 | -58 | 0 | 0 | 0 | 111.5 | L253 L268 P270 I273 I289 C310 L311 H312 | L253-F296 WeakPolarHBondContact CD1-O 3.42Å; L268-F296 HydrophobicContact CD1-CB 3.78Å; L268-F296 HydrophobicContact CD1-CD2 4.15Å; L268-F296 HydrophobicContact CD1-CG 4.18Å; P270-F296 PolarHBondContact O-N 3.07Å; I273-F296 HydrophobicContact CD1-CD2 4.3Å; I273-F296 HydrophobicContact CD1-CE1 4.39Å; I273-F296 HydrophobicContact CD1-CE2 3.86Å; I273-F296 HydrophobicContact CD1-CZ 3.91Å; I273-F296 HydrophobicContact CG1-CD2 3.9Å; I273-F296 HydrophobicContact CG1-CE2 3.66Å; I273-F296 HydrophobicContact CG1-CZ 4.25Å; I289-F296 HydrophobicContact CD1-CD1 4.11Å; I289-F296 HydrophobicContact CD1-CD2 3.52Å; I289-F296 HydrophobicContact CD1-CE1 4.12Å; I289-F296 HydrophobicContact CD1-CE2 3.51Å; I289-F296 HydrophobicContact CD1-CG 3.82Å; I289-F296 HydrophobicContact CD1-CZ 3.82Å; I289-F296 HydrophobicContact CG1-CD2 3.83Å; I289-F296 HydrophobicContact CG1-CE1 4.25Å; I289-F296 HydrophobicContact CG1-CE2 3.26Å; I289-F296 HydrophobicContact CG1-CG 4.49Å; I289-F296 HydrophobicContact CG1-CZ 3.51Å; F296-C310 HydrophobicContact CD1-CB 3.79Å; F296-C310 HydrophobicContact CE1-CB 3.61Å; F296-L311 CarbonylContact C-O 3.5Å; F296-L311 WeakPolarHBondContact CA-O 3.42Å; F296-H312 AromaticContact CD1-CE1 3.56Å; F296-H312 AromaticContact CD1-ND1 3.83Å; F296-H312 AromaticContact CE1-CE1 3.25Å; F296-H312 WeakPolarHBondContact CE1-CE1 3.28Å; F296-H312 AromaticContact CE1-ND1 3.97Å; F296-H312 AromaticContact CE1-NE2 3.69Å |
| 297 | T | 92.5 | Very high | 86.2 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -31.7 | 177 | -31.2 | 0 | 0 | 0 | 0 | 112.1 | L311 H312 E313 | T297-L311 PolarHBondContact N-O 2.83Å; T297-H312 VanDerWaalsContact OG1-C 3.31Å; T297-E313 PolarHBondContact OG1-N 3.28Å |
| 298 | Q | 94.6 | Very high | 86.6 | Confident | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 149.9 | -179.8 | 177.3 | -174.1 | 0.3 | 0 | 0 | 109.8 | I300 L311 M365 | Q298-I300 HydrophobicContact CG-CG1 4.48Å; Q298-L311 HydrophobicContact CB-CB 4.17Å; Q298-L311 HydrophobicContact CB-CD2 4.39Å; Q298-L311 PolarHBondContact O-N 3.26Å; Q298-M365 PolarHBondContact NE2-O 3.12Å; Q298-M365 PolarHBondContact OE1-O 2.87Å |
| 299 | V | 95.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.6 | 168.9 | 177.8 | 0 | 0 | 0 | 0 | 109.9 | Q254 L266 L268 I273 L308 Y309 C310 | Q254-V299 PolarHBondContact NE2-O 3.4Å; Q254-V299 PolarHBondContact OE1-O 2.89Å; L266-V299 HydrophobicContact CD1-CG1 3.84Å; L266-V299 HydrophobicContact CD2-CB 4.39Å; L268-V299 HydrophobicContact CD1-CG2 3.54Å; L268-V299 HydrophobicContact CD2-CB 4.43Å; L268-V299 HydrophobicContact CD2-CG2 4.03Å; L268-V299 HydrophobicContact CG-CG2 4.36Å; I273-V299 HydrophobicContact CD1-CG2 3.73Å; I273-V299 HydrophobicContact CG1-CG2 4.26Å; V299-L308 HydrophobicContact CG1-CB 4.11Å; V299-L308 HydrophobicContact CG1-CD2 4.27Å; V299-Y309 CarbonylContact C-O 3.17Å; V299-Y309 VanDerWaalsContact CA-O 3.29Å; V299-Y309 WeakPolarHBondContact CA-O 3.36Å; V299-C310 HydrophobicContact CG2-CB 4.19Å |
| 300 | I | 95.1 | Very high | 88 | Confident | 38 Ų | 38 | 38.2 Ų | 38.2 | 20% | 0.195 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 115 | 172.2 | -60.2 | 173.3 | 0 | 0 | 0 | 108.4 | Q298 Y309 M365 I367 | Q298-I300 HydrophobicContact CG-CG1 4.48Å; I300-Y309 PolarHBondContact N-O 3.34Å; I300-Y309 PolarHBondContact O-N 3.09Å; I300-M365 HydrophobicContact CD1-CE 4.11Å; I300-M365 WeakPolarHBondContact CD1-O 3.43Å; I300-M365 HydrophobicContact CG1-CE 4.33Å; I300-I367 HydrophobicContact CB-CD1 3.76Å; I300-I367 HydrophobicContact CD1-CD1 3.9Å; I300-I367 HydrophobicContact CD1-CG1 3.84Å; I300-I367 HydrophobicContact CG1-CD1 4.41Å; I300-I367 HydrophobicContact CG2-CD1 3.8Å |
| 301 | P | 93.9 | Very high | 89 | Confident | 20 Ų | 20 | 30.5 Ų | 30.5 | 13% | 0.13 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 139.8 | 173.4 | 34.5 | -34.7 | 0 | 0 | 0 | 111 | P259 L308 | P259-P301 HydrophobicContact CG-CB 4.49Å; P259-P301 HydrophobicContact CG-CG 4.42Å; P301-L308 HydrophobicContact CB-CD2 3.77Å |
| 302 | C | 92.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 20.3 Ų | 20.3 | 2% | 0.02 | 13% | 0.131 | C | C | . | . | trans | -88.6 | 145 | 179.7 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | R305 A307 Y309 E372 L430 | C302-R305 WeakPolarHBondContact CB-O 3.45Å; C302-A307 HydrophobicContact CB-CB 4.24Å; C302-A307 WeakPolarHBondContact CB-O 3.39Å; C302-A307 PolarHBondContact N-O 3.23Å; C302-Y309 WeakPolarHBondContact SG-CD2 3.35Å; C302-Y309 VanDerWaalsContact SG-CE2 3.51Å; C302-E372 WeakPolarHBondContact CB-OE2 3.5Å; C302-L430 HydrophobicContact CB-CD2 3.97Å | ||
| 303 | A | 87.3 | Confident | 91.2 | Very high | 35 Ų | 35 | 19.8 Ų | 19.8 | 29% | 0.289 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -85.4 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | P259 R305 E372 C969 | P259-A303 HydrophobicContact CB-CB 3.81Å; P259-A303 HydrophobicContact CG-CB 4.02Å; A303-R305 PolarHBondContact O-N 2.99Å; A303-E372 WeakPolarHBondContact CB-OE1 3.42Å; A303-E372 PolarHBondContact N-OE1 3.2Å; A303-E372 PolarHBondContact N-OE2 3.17Å; A303-C969 VanDerWaalsContact O-CB 3.3Å; A303-C969 WeakPolarHBondContact O-CB 3.44Å |
| 304 | Q | 86.6 | Confident | 91.9 | Very high | 24 Ų | 24 | 20.1 Ų | 20.1 | 11% | 0.112 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -70 | -36.1 | -172.1 | -63.5 | -179.1 | 2.9 | 0 | 0 | 112.8 | V370 E372 N431 | Q304-V370 PolarHBondContact NE2-O 3.48Å; Q304-E372 WeakPolarHBondContact CB-OE2 3.4Å; Q304-E372 HydrophobicContact CG-CG 4.34Å; Q304-E372 VanDerWaalsContact CG-OE2 3.27Å; Q304-E372 WeakPolarHBondContact CG-OE2 3.49Å; Q304-E372 PolarHBondContact N-OE2 3.4Å; Q304-N431 HydrophobicContact CB-CB 4.14Å; Q304-N431 VanDerWaalsContact OE1-N 3.16Å; Q304-N431 PolarHBondContact OE1-OD1 3.17Å |
| 305 | R | 86 | Confident | 92 | Very high | 22 Ų | 22 | 17.7 Ų | 17.7 | 8% | 0.083 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -138.3 | 152.1 | 177.9 | -65.2 | -66.7 | 178.3 | -104 | 10 | 109 | C302 A303 A307 L430 N431 I434 S435 D967 | C302-R305 WeakPolarHBondContact CB-O 3.45Å; A303-R305 PolarHBondContact O-N 2.99Å; R305-A307 PolarHBondContact O-N 3.3Å; R305-L430 HydrophobicContact CB-CD2 3.94Å; R305-L430 HydrophobicContact CB-CG 4.19Å; R305-L430 HydrophobicContact CG-CD2 4.36Å; R305-L430 HydrophobicContact CG-CG 4.09Å; R305-N431 PolarHBondContact NH2-O 2.81Å; R305-N431 VanDerWaalsContact NH2-O 3.16Å; R305-I434 PolarHBondContact NE-O 3.35Å; R305-I434 PolarHBondContact NH2-O 3.39Å; R305-S435 PolarHBondContact NE-O 3.04Å; R305-D967 IonicContact CZ-OD1 3.09Å; R305-D967 IonicContact NH1-OD1 2.86Å; R305-D967 PolarHBondContact NH1-OD1 2.88Å; R305-D967 IonicContact NH1-OD2 3.62Å; R305-D967 PolarHBondContact NH1-OD2 3.33Å; R305-D967 IonicContact NH2-OD1 2.83Å |
| 306 | D | 87.6 | Confident | 92.2 | Very high | 15 Ų | 15 | 16.6 Ų | 16.6 | 8% | 0.08 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -73.7 | 77.5 | 178.5 | -161.6 | 27.8 | 0 | 0 | 0 | 110.9 | S260 K261 C322 Y345 | S260-D306 PolarHBondContact OG-OD1 2.89Å; K261-D306 WeakPolarHBondContact CE-OD2 3.49Å; K261-D306 IonicContact NZ-OD2 2.78Å; K261-D306 PolarHBondContact NZ-OD2 3.45Å; D306-C322 HydrophobicContact CB-CB 3.86Å; D306-C322 WeakPolarHBondContact O-CB 3.39Å; D306-C322 PolarHBondContact O-N 2.91Å; D306-C322 VanDerWaalsContact OD2-CB 3.24Å; D306-C322 WeakPolarHBondContact OD2-CB 3.41Å; D306-C322 PolarHBondContact OD2-SG 2.85Å; D306-Y345 PolarHBondContact OD1-OH 3.45Å; D306-Y345 VanDerWaalsContact OD1-OH 3.12Å; D306-Y345 PolarHBondContact OD2-OH 3.31Å |
| 307 | A | 91.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 147.9 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C302 R305 L319 R320 V321 L430 | C302-A307 HydrophobicContact CB-CB 4.24Å; C302-A307 WeakPolarHBondContact CB-O 3.39Å; C302-A307 PolarHBondContact N-O 3.23Å; R305-A307 PolarHBondContact O-N 3.3Å; A307-L319 HydrophobicContact CB-CD1 4.07Å; A307-R320 CarbonylContact C-O 3.49Å; A307-R320 VanDerWaalsContact CA-O 3.23Å; A307-R320 WeakPolarHBondContact CA-O 3.43Å; A307-V321 HydrophobicContact CB-CG2 4.09Å; A307-L430 HydrophobicContact CB-CD2 4.26Å |
| 308 | L | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 122.9 | -178.8 | -56.3 | 177.5 | 0 | 0 | 0 | 109.2 | L266 V299 P301 R320 Y345 | L266-L308 HydrophobicContact CD1-CD1 4.25Å; L266-L308 HydrophobicContact CD1-CD2 3.84Å; V299-L308 HydrophobicContact CG1-CB 4.11Å; V299-L308 HydrophobicContact CG1-CD2 4.27Å; P301-L308 HydrophobicContact CB-CD2 3.77Å; L308-R320 PolarHBondContact N-O 2.67Å; L308-R320 PolarHBondContact O-N 3.11Å; L308-Y345 HydrophobicContact CD1-CD1 3.63Å; L308-Y345 HydrophobicContact CD1-CD2 4.41Å; L308-Y345 HydrophobicContact CD1-CE1 3.66Å; L308-Y345 HydrophobicContact CD1-CE2 4.49Å; L308-Y345 HydrophobicContact CD1-CG 3.99Å; L308-Y345 HydrophobicContact CD2-CE1 4.31Å; L308-Y345 HydrophobicContact CG-CD1 3.73Å; L308-Y345 HydrophobicContact CG-CE1 3.57Å |
| 309 | Y | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 120.9 | 164.9 | -77.9 | -97.8 | 0 | 0 | 0 | 109.3 | V299 I300 C302 I317 T318 L319 I367 E372 F457 | V299-Y309 CarbonylContact C-O 3.17Å; V299-Y309 VanDerWaalsContact CA-O 3.29Å; V299-Y309 WeakPolarHBondContact CA-O 3.36Å; I300-Y309 PolarHBondContact N-O 3.34Å; I300-Y309 PolarHBondContact O-N 3.09Å; C302-Y309 WeakPolarHBondContact SG-CD2 3.35Å; C302-Y309 VanDerWaalsContact SG-CE2 3.51Å; Y309-I317 HydrophobicContact CD1-CG2 3.97Å; Y309-T318 CarbonylContact C-O 3.58Å; Y309-T318 WeakPolarHBondContact CA-O 3.46Å; Y309-L319 HydrophobicContact CD1-CD1 4.24Å; Y309-L319 HydrophobicContact CD2-CD1 3.76Å; Y309-L319 HydrophobicContact CE1-CB 4.49Å; Y309-L319 HydrophobicContact CE1-CD1 4.1Å; Y309-L319 HydrophobicContact CE2-CD1 3.63Å; Y309-L319 HydrophobicContact CG-CD1 4.09Å; Y309-I367 VanDerWaalsContact CB-CD1 3.49Å; Y309-I367 HydrophobicContact CD1-CD1 3.96Å; Y309-I367 HydrophobicContact CD2-CD1 3.27Å; Y309-I367 HydrophobicContact CE1-CD1 4.46Å; Y309-I367 HydrophobicContact CE2-CD1 3.84Å; Y309-I367 HydrophobicContact CG-CD1 3.32Å; Y309-E372 PolarHBondContact OH-O 2.92Å; Y309-F457 HydrophobicContact CD1-CZ 4.06Å; Y309-F457 AromaticContact CE1-CE1 3.81Å; Y309-F457 HydrophobicContact CE1-CE1 3.81Å; Y309-F457 AromaticContact CE1-CZ 3.62Å; Y309-F457 HydrophobicContact CE1-CZ 3.62Å |
| 310 | C | 95.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.4 | -179.1 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | F296 V299 I317 T318 | F296-C310 HydrophobicContact CD1-CB 3.79Å; F296-C310 HydrophobicContact CE1-CB 3.61Å; V299-C310 HydrophobicContact CG2-CB 4.19Å; C310-I317 WeakPolarHBondContact O-CA 3.4Å; C310-T318 WeakPolarHBondContact CB-OG1 3.49Å; C310-T318 PolarHBondContact N-O 2.85Å; C310-T318 PolarHBondContact O-N 3.39Å |
| 311 | L | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 131.3 | 171.4 | 178 | 63.2 | 0 | 0 | 0 | 109.7 | F296 T297 Q298 I317 M365 L377 | F296-L311 CarbonylContact C-O 3.5Å; F296-L311 WeakPolarHBondContact CA-O 3.42Å; T297-L311 PolarHBondContact N-O 2.83Å; Q298-L311 HydrophobicContact CB-CB 4.17Å; Q298-L311 HydrophobicContact CB-CD2 4.39Å; Q298-L311 PolarHBondContact O-N 3.26Å; L311-I317 HydrophobicContact CD1-CG1 4.14Å; L311-M365 HydrophobicContact CB-CB 4.39Å; L311-M365 HydrophobicContact CB-CE 4.31Å; L311-M365 HydrophobicContact CD2-CB 4.08Å; L311-L377 HydrophobicContact CD1-CD1 3.58Å; L311-L377 HydrophobicContact CD2-CD1 4.13Å |
| 312 | H | 93.9 | Very high | 91.5 | Very high | 15 Ų | 15 | 14.7 Ų | 14.7 | 7% | 0.069 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 158.8 | 177.2 | -63.6 | -95.4 | 0 | 0 | 0 | 112.1 | V294 P295 F296 T297 N314 G315 C316 T318 | V294-H312 HydrophobicContact CB-CB 4.36Å; V294-H312 HydrophobicContact CG1-CB 4.13Å; V294-H312 PolarHBondContact O-ND1 3.33Å; P295-H312 CarbonylContact O-C 3.57Å; P295-H312 VanDerWaalsContact O-CA 3.27Å; P295-H312 WeakPolarHBondContact O-CA 3.47Å; F296-H312 AromaticContact CD1-CE1 3.56Å; F296-H312 AromaticContact CD1-ND1 3.83Å; F296-H312 AromaticContact CE1-CE1 3.25Å; F296-H312 WeakPolarHBondContact CE1-CE1 3.28Å; F296-H312 AromaticContact CE1-ND1 3.97Å; F296-H312 AromaticContact CE1-NE2 3.69Å; T297-H312 VanDerWaalsContact OG1-C 3.31Å; H312-N314 VanDerWaalsContact CB-OD1 3.24Å; H312-N314 WeakPolarHBondContact CB-OD1 3.44Å; H312-N314 PolarHBondContact O-N 3.42Å; H312-N314 VanDerWaalsContact O-N 3.12Å; H312-G315 WeakPolarHBondContact O-CA 3.23Å; H312-G315 PolarHBondContact O-N 3.44Å; H312-C316 HydrophobicContact CB-CB 4.24Å; H312-C316 PolarHBondContact CD2-O 2.85Å; H312-C316 VanDerWaalsContact CD2-O 3.32Å; H312-C316 PolarHBondContact N-O 3.37Å; H312-T318 WeakPolarHBondContact NE2-CG2 3.27Å; H312-T318 PolarHBondContact NE2-OG1 3.13Å |
| 313 | E | 91.6 | Very high | 90.8 | Very high | 104 Ų | 104 | 18.1 Ų | 18.1 | 49% | 0.486 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.2 | -179 | -72.1 | -173.1 | 155.4 | 0 | 0 | 114.1 | V294 P295 T297 G315 P362 | V294-E313 HydrophobicContact CG1-CB 3.83Å; P295-E313 HydrophobicContact CB-CG 4.04Å; P295-E313 WeakPolarHBondContact CG-OE2 3.28Å; P295-E313 PolarHBondContact O-N 2.77Å; T297-E313 PolarHBondContact OG1-N 3.28Å; E313-G315 PolarHBondContact O-N 3.4Å; E313-P362 WeakPolarHBondContact O-CD 3.44Å; E313-P362 VanDerWaalsContact O-CG 3.22Å; E313-P362 WeakPolarHBondContact O-CG 3.34Å |
| 314 | N | 91.6 | Very high | 89.5 | Confident | 37 Ų | 37 | 18.2 Ų | 18.2 | 20% | 0.198 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 7.1 | 174.2 | 68 | -11.1 | 0 | 0 | 0 | 113.4 | V294 H312 C316 A353 I354 | V294-N314 HydrophobicContact CG1-CB 3.96Å; V294-N314 HydrophobicContact CG2-CB 4.33Å; H312-N314 VanDerWaalsContact CB-OD1 3.24Å; H312-N314 WeakPolarHBondContact CB-OD1 3.44Å; H312-N314 PolarHBondContact O-N 3.42Å; H312-N314 VanDerWaalsContact O-N 3.12Å; N314-C316 PolarHBondContact O-N 2.93Å; N314-C316 WeakPolarHBondContact OD1-CB 3.35Å; N314-C316 PolarHBondContact OD1-N 2.97Å; N314-C316 VanDerWaalsContact OD1-N 3.1Å; N314-A353 HydrophobicContact CB-CB 4.28Å; N314-A353 WeakPolarHBondContact ND2-CB 3.43Å; N314-I354 VanDerWaalsContact O-CG1 3.3Å; N314-I354 WeakPolarHBondContact O-CG1 3.35Å; N314-I354 PolarHBondContact O-N 3.32Å |
| 315 | G | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 74.6 | 7.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H312 E313 L377 | H312-G315 WeakPolarHBondContact O-CA 3.23Å; H312-G315 PolarHBondContact O-N 3.44Å; E313-G315 PolarHBondContact O-N 3.4Å; G315-L377 VanDerWaalsContact O-CD2 3.31Å; G315-L377 WeakPolarHBondContact O-CD2 3.21Å |
| 316 | C | 93.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -70.9 | 135.8 | 172.4 | -174.3 | 0 | 0 | 0 | 0 | 110.5 | H312 N314 Q350 C351 A353 | H312-C316 HydrophobicContact CB-CB 4.24Å; H312-C316 PolarHBondContact CD2-O 2.85Å; H312-C316 VanDerWaalsContact CD2-O 3.32Å; H312-C316 PolarHBondContact N-O 3.37Å; N314-C316 PolarHBondContact O-N 2.93Å; N314-C316 WeakPolarHBondContact OD1-CB 3.35Å; N314-C316 PolarHBondContact OD1-N 2.97Å; N314-C316 VanDerWaalsContact OD1-N 3.1Å; C316-Q350 WeakPolarHBondContact SG-CG 3.46Å; C316-Q350 PolarHBondContact SG-NE2 3.44Å; C316-C351 PolarHBondContact SG-O 2.96Å; C316-A353 HydrophobicContact CB-CB 4.19Å | ||
| 317 | I | 95.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.2 | 171.4 | -58.7 | 169.6 | 0 | 0 | 0 | 107.8 | Y309 C310 L311 Q350 C351 M365 A375 L377 F457 | Y309-I317 HydrophobicContact CD1-CG2 3.97Å; C310-I317 WeakPolarHBondContact O-CA 3.4Å; L311-I317 HydrophobicContact CD1-CG1 4.14Å; I317-Q350 WeakPolarHBondContact O-CA 3.46Å; I317-C351 HydrophobicContact CB-CB 4.5Å; I317-C351 PolarHBondContact N-SG 3.45Å; I317-C351 PolarHBondContact O-N 2.67Å; I317-M365 HydrophobicContact CB-SD 4.19Å; I317-M365 HydrophobicContact CD1-CG 4.17Å; I317-M365 HydrophobicContact CD1-SD 3.62Å; I317-M365 HydrophobicContact CG1-SD 3.66Å; I317-M365 HydrophobicContact CG2-CE 4.48Å; I317-M365 HydrophobicContact CG2-SD 3.48Å; I317-M365 WeakPolarHBondContact CG2-SD 3.48Å; I317-A375 HydrophobicContact CD1-CB 4.42Å; I317-L377 HydrophobicContact CD1-CB 4.27Å; I317-F457 HydrophobicContact CG2-CE2 4.5Å; I317-F457 HydrophobicContact CG2-CZ 4.01Å |
| 318 | T | 94.3 | Very high | 81 | Confident | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.6 | 173.1 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | Y309 C310 H312 L347 S349 Q350 | Y309-T318 CarbonylContact C-O 3.58Å; Y309-T318 WeakPolarHBondContact CA-O 3.46Å; C310-T318 WeakPolarHBondContact CB-OG1 3.49Å; C310-T318 PolarHBondContact N-O 2.85Å; C310-T318 PolarHBondContact O-N 3.39Å; H312-T318 WeakPolarHBondContact NE2-CG2 3.27Å; H312-T318 PolarHBondContact NE2-OG1 3.13Å; T318-L347 HydrophobicContact CG2-CD1 3.78Å; T318-S349 WeakPolarHBondContact CA-O 3.48Å; T318-Q350 HydrophobicContact CG2-CB 4.09Å; T318-Q350 HydrophobicContact CG2-CG 3.74Å |
| 319 | L | 94 | Very high | 78.3 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.8 | 170.8 | 177.4 | 65.6 | 0 | 0 | 0 | 108.9 | A307 Y309 V321 R348 S349 L389 L455 F457 | A307-L319 HydrophobicContact CB-CD1 4.07Å; Y309-L319 HydrophobicContact CD1-CD1 4.24Å; Y309-L319 HydrophobicContact CD2-CD1 3.76Å; Y309-L319 HydrophobicContact CE1-CB 4.49Å; Y309-L319 HydrophobicContact CE1-CD1 4.1Å; Y309-L319 HydrophobicContact CE2-CD1 3.63Å; Y309-L319 HydrophobicContact CG-CD1 4.09Å; L319-V321 HydrophobicContact CG-CG2 4.41Å; L319-R348 PolarHBondContact O-N 3.15Å; L319-S349 PolarHBondContact N-O 3.33Å; L319-S349 PolarHBondContact O-N 2.9Å; L319-L389 HydrophobicContact CD2-CD1 3.99Å; L319-L389 HydrophobicContact CD2-CD2 3.47Å; L319-L389 VanDerWaalsContact CD2-CD2 3.47Å; L319-L389 HydrophobicContact CD2-CG 4.38Å; L319-L455 HydrophobicContact CD2-CD1 3.8Å; L319-F457 HydrophobicContact CB-CE2 4.17Å; L319-F457 HydrophobicContact CB-CZ 4.1Å |
| 320 | R | 91.6 | Very high | 75.5 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 14% | 0.143 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.9 | 175.6 | -55.6 | -176.5 | 173.1 | -126.6 | 3.4 | 110.5 | A307 L308 D346 L347 | A307-R320 CarbonylContact C-O 3.49Å; A307-R320 VanDerWaalsContact CA-O 3.23Å; A307-R320 WeakPolarHBondContact CA-O 3.43Å; L308-R320 PolarHBondContact N-O 2.67Å; L308-R320 PolarHBondContact O-N 3.11Å; R320-D346 CarbonylContact C-O 3.52Å; R320-D346 WeakPolarHBondContact CA-O 3.34Å; R320-L347 HydrophobicContact CG-CD1 4.31Å |
| 321 | V | 89 | Confident | 72.6 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.8 | -178.2 | -179.3 | 0 | 0 | 0 | 0 | 109.1 | A307 L319 R323 D346 R348 L407 I434 | A307-V321 HydrophobicContact CB-CG2 4.09Å; L319-V321 HydrophobicContact CG-CG2 4.41Å; V321-R323 PolarHBondContact O-N 3.31Å; V321-D346 PolarHBondContact N-O 3.31Å; V321-D346 PolarHBondContact O-N 3.09Å; V321-R348 HydrophobicContact CB-CG 3.86Å; V321-R348 HydrophobicContact CG2-CB 4.41Å; V321-R348 HydrophobicContact CG2-CG 3.66Å; V321-L407 HydrophobicContact CG1-CD2 4.47Å; V321-I434 HydrophobicContact CG2-CD1 4.31Å |
| 322 | C | 85.8 | Confident | 69.9 | Low | 8 Ų | 8 | 55 Ų | 55 | 5% | 0.054 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 129.5 | 176.9 | -177.3 | 0 | 0 | 0 | 0 | 110.9 | D306 L343 V344 Y345 | D306-C322 HydrophobicContact CB-CB 3.86Å; D306-C322 WeakPolarHBondContact O-CB 3.39Å; D306-C322 PolarHBondContact O-N 2.91Å; D306-C322 VanDerWaalsContact OD2-CB 3.24Å; D306-C322 WeakPolarHBondContact OD2-CB 3.41Å; D306-C322 PolarHBondContact OD2-SG 2.85Å; C322-L343 WeakPolarHBondContact SG-CD2 3.4Å; C322-V344 WeakPolarHBondContact CA-O 3.29Å; C322-Y345 HydrophobicContact CB-CD1 4.24Å; C322-Y345 HydrophobicContact CB-CE1 3.91Å |
| 323 | R | 77.1 | Confident | 67.1 | Low | 75 Ų | 75 | 57.7 Ų | 57.7 | 28% | 0.283 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 138.9 | 172.1 | -175.8 | -178 | -66.5 | -164.7 | -1.9 | 109.9 | V321 V344 D346 G403 | V321-R323 PolarHBondContact O-N 3.31Å; R323-V344 HydrophobicContact CB-CB 4.46Å; R323-V344 PolarHBondContact N-O 2.54Å; R323-D346 IonicContact CZ-OD1 3.27Å; R323-D346 IonicContact CZ-OD2 3.3Å; R323-D346 IonicContact NE-OD1 3.37Å; R323-D346 PolarHBondContact NE-OD1 3.4Å; R323-D346 IonicContact NE-OD2 3.79Å; R323-D346 PolarHBondContact NE-OD2 3.29Å; R323-D346 VanDerWaalsContact NH2-CG 3.27Å; R323-D346 IonicContact NH2-OD1 3.93Å; R323-D346 PolarHBondContact NH2-OD1 2.86Å; R323-D346 IonicContact NH2-OD2 2.8Å; R323-D346 PolarHBondContact NH2-OD2 3.06Å; R323-D346 VanDerWaalsContact NH2-OD2 3.09Å; R323-G403 PolarHBondContact NH2-O 2.78Å |
| 324 | S | 60.5 | Low | 64.4 | Low | 38 Ų | 38 | 59.5 Ų | 59.5 | 27% | 0.266 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -87.3 | 125.7 | 160.7 | -174.7 | 0 | 0 | 0 | 0 | 109 | S326 L438 | S324-S326 PolarHBondContact O-N 3.12Å; S324-L438 WeakPolarHBondContact CB-O 3.46Å; S324-L438 PolarHBondContact OG-O 3.26Å |
| 325 | T | 52.7 | Low | 61.8 | Low | 57 Ų | 57 | 61.9 Ų | 61.9 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | trans | -77.2 | 103.2 | 172 | 48.9 | 0 | 0 | 0 | 0 | 109 | A440 | T325-A440 WeakPolarHBondContact O-CB 3.39Š| ||
| 326 | S | 42.3 | Very low | 59.3 | Low | 67 Ų | 67 | 67.7 Ų | 67.7 | 47% | 0.469 | 41% | 0.405 | S | S | . | . | trans | -78.3 | 129.6 | 169.1 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | S324 Q328 | S324-S326 PolarHBondContact O-N 3.12Å; S326-Q328 PolarHBondContact O-N 2.98Å | ||
| 327 | A | 38.5 | Very low | 56.5 | Low | 52 Ų | 52 | 76.7 Ų | 76.7 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -59.1 | -10.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.8 | E329 E330 | A327-E329 VanDerWaalsContact C-N 3.3Å; A327-E329 PolarHBondContact O-N 3.05Å; A327-E330 WeakPolarHBondContact O-CB 3.28Å; A327-E330 WeakPolarHBondContact O-CG 3.35Å; A327-E330 PolarHBondContact O-N 3.37Å |
| 328 | Q | 37.8 | Very low | 53.7 | Low | 182 Ų | 182 | 83.3 Ų | 83.3 | 85% | 0.85 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -68.5 | -19.6 | -177.7 | -98 | 180 | -19.2 | 0 | 0 | 115.1 | S326 E330 | S326-Q328 PolarHBondContact O-N 2.98Å; Q328-E330 VanDerWaalsContact C-N 3.31Å |
| 329 | E | 37.9 | Very low | 51.1 | Low | 147 Ų | 147 | 86.9 Ų | 86.9 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -81.6 | -7.4 | 175.3 | -75.4 | -175.1 | 157.7 | 0 | 0 | 113.4 | A327 A331 A332 | A327-E329 VanDerWaalsContact C-N 3.3Å; A327-E329 PolarHBondContact O-N 3.05Å; E329-A331 PolarHBondContact O-N 2.68Å; E329-A332 PolarHBondContact O-N 2.94Å |
| 330 | E | 37.1 | Very low | 49.1 | Very low | 138 Ų | 138 | 90.6 Ų | 90.6 | 65% | 0.645 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -65.7 | -20.1 | 178.8 | -69.2 | -176 | 163.8 | 0 | 0 | 113.3 | A327 Q328 A332 | A327-E330 WeakPolarHBondContact O-CB 3.28Å; A327-E330 WeakPolarHBondContact O-CG 3.35Å; A327-E330 PolarHBondContact O-N 3.37Å; Q328-E330 VanDerWaalsContact C-N 3.31Å; E330-A332 VanDerWaalsContact C-N 3.34Å; E330-A332 PolarHBondContact O-N 3.32Å |
| 331 | A | 34.4 | Very low | 47.5 | Very low | 103 Ų | 103 | 91.8 Ų | 91.8 | 85% | 0.851 | 53% | 0.533 | S | S | * | . | G | 310 helix | trans | -80.1 | -10.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E329 | E329-A331 PolarHBondContact O-N 2.68Š|
| 332 | A | 38.5 | Very low | 46.5 | Very low | 89 Ų | 89 | 93.7 Ų | 93.7 | 74% | 0.736 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.5 | -8.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E329 E330 | E329-A332 PolarHBondContact O-N 2.94Å; E330-A332 VanDerWaalsContact C-N 3.34Å; E330-A332 PolarHBondContact O-N 3.32Å |
| 333 | A | 35.9 | Very low | 46.1 | Very low | 71 Ų | 71 | 94.1 Ų | 94.1 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | trans | -93.2 | 114.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | D335 | A333-D335 PolarHBondContact O-N 2.65Š| ||
| 334 | T | 33.6 | Very low | 46.3 | Very low | 142 Ų | 142 | 93.3 Ų | 93.3 | 87% | 0.871 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -75.8 | 7.9 | -175 | 40.6 | 0 | 0 | 0 | 0 | 115.9 | ||
| 335 | D | 36.9 | Very low | 47.5 | Very low | 87 Ų | 87 | 91.9 Ų | 91.9 | 47% | 0.465 | 54% | 0.536 | S | S | . | . | trans | -134.4 | 113.7 | 178.5 | -91.9 | -28 | 0 | 0 | 0 | 111.5 | A333 E337 Q338 | A333-D335 PolarHBondContact O-N 2.65Å; D335-E337 PolarHBondContact O-N 2.6Å; D335-Q338 HydrophobicContact CB-CB 4.49Å; D335-Q338 HydrophobicContact CB-CG 4.21Å; D335-Q338 PolarHBondContact O-N 3.1Å; D335-Q338 PolarHBondContact OD2-NE2 3.37Å | ||
| 336 | P | 38.3 | Very low | 49.1 | Very low | 122 Ų | 122 | 89.9 Ų | 89.9 | 79% | 0.792 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -12.1 | 178.1 | -1.4 | 8.5 | 0 | 0 | 0 | 114.8 | ||
| 337 | E | 36.3 | Very low | 51.3 | Low | 188 Ų | 188 | 89.9 Ų | 89.9 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.2 | 178.9 | -69.1 | -170.1 | 163.3 | 0 | 0 | 113.9 | D335 | D335-E337 PolarHBondContact O-N 2.6Š|
| 338 | Q | 35.9 | Very low | 53.7 | Low | 139 Ų | 139 | 89.7 Ų | 89.7 | 65% | 0.65 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -106.7 | -4.9 | -173 | -70.8 | -176 | 25.8 | 0 | 0 | 115.5 | D335 V340 | D335-Q338 HydrophobicContact CB-CB 4.49Å; D335-Q338 HydrophobicContact CB-CG 4.21Å; D335-Q338 PolarHBondContact O-N 3.1Å; D335-Q338 PolarHBondContact OD2-NE2 3.37Å; Q338-V340 PolarHBondContact O-N 2.78Å; Q338-V340 VanDerWaalsContact O-N 3.13Å |
| 339 | S | 39.8 | Very low | 56.1 | Low | 79 Ų | 79 | 81.5 Ų | 81.5 | 55% | 0.552 | 47% | 0.468 | S | S | * | . | trans | -88.5 | 63.8 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Q341 | S339-Q341 PolarHBondContact O-N 3.29Š| ||
| 340 | V | 51.3 | Low | 58.7 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | trans | -74 | 110.7 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | Q338 E342 V992 | Q338-V340 PolarHBondContact O-N 2.78Å; Q338-V340 VanDerWaalsContact O-N 3.13Å; V340-E342 HydrophobicContact CB-CG 4.21Å; V340-E342 HydrophobicContact CG1-CG 3.66Å; V340-E342 PolarHBondContact O-N 3.22Å; V340-E342 VanDerWaalsContact O-N 3.08Å; V340-V992 HydrophobicContact CG1-CG1 4Å | ||
| 341 | Q | 57.9 | Low | 61.4 | Low | 63 Ų | 63 | 73.5 Ų | 73.5 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | trans | -62.2 | 107.8 | 169.1 | -112.2 | 175.6 | -9.4 | 0 | 0 | 108.9 | S339 | S339-Q341 PolarHBondContact O-N 3.29Š| ||
| 342 | E | 68 | Low | 64 | Low | 43 Ų | 43 | 74.7 Ų | 74.7 | 20% | 0.201 | 42% | 0.423 | C | S | . | . | trans | -120.8 | 149.2 | 178.2 | -58.8 | -152.5 | 125.6 | 0 | 0 | 111.6 | L230 V340 V344 K993 | L230-E342 WeakPolarHBondContact CD1-OE2 3.41Å; V340-E342 HydrophobicContact CB-CG 4.21Å; V340-E342 HydrophobicContact CG1-CG 3.66Å; V340-E342 PolarHBondContact O-N 3.22Å; V340-E342 VanDerWaalsContact O-N 3.08Å; E342-V344 HydrophobicContact CB-CG2 4.27Å; E342-V344 PolarHBondContact O-N 2.98Å; E342-K993 IonicContact OE1-NZ 2.83Å; E342-K993 PolarHBondContact OE1-NZ 2.84Å | ||
| 343 | L | 77.1 | Confident | 66.3 | Low | 17 Ų | 17 | 73.1 Ų | 73.1 | 9% | 0.089 | 41% | 0.41 | C | S | . | . | trans | -73.4 | 98.6 | 170.1 | -103.6 | 156 | 0 | 0 | 0 | 109.3 | K261 V284 G285 C322 Y345 L989 | K261-L343 VanDerWaalsContact NZ-CD2 3.33Å; V284-L343 HydrophobicContact CG1-CB 3.99Å; V284-L343 HydrophobicContact CG1-CD1 3.3Å; V284-L343 HydrophobicContact CG1-CG 4.1Å; V284-L343 PolarHBondContact O-N 3.41Å; G285-L343 WeakPolarHBondContact CA-O 3.12Å; C322-L343 WeakPolarHBondContact SG-CD2 3.4Å; L343-Y345 HydrophobicContact CD2-CE2 4.15Å; L343-L989 HydrophobicContact CD1-CD1 4.23Å; L343-L989 HydrophobicContact CG-CD1 4.29Å | ||
| 344 | V | 81.4 | Confident | 68.8 | Low | 58 Ų | 58 | 70.8 Ų | 70.8 | 35% | 0.352 | 39% | 0.388 | S | S | . | . | trans | -101.9 | 132.4 | -178.5 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | C322 R323 E342 | C322-V344 WeakPolarHBondContact CA-O 3.29Å; R323-V344 HydrophobicContact CB-CB 4.46Å; R323-V344 PolarHBondContact N-O 2.54Å; E342-V344 HydrophobicContact CB-CG2 4.27Å; E342-V344 PolarHBondContact O-N 2.98Å | ||
| 345 | Y | 86.5 | Confident | 71.3 | Confident | 9 Ų | 9 | 74.6 Ų | 74.6 | 4% | 0.035 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.1 | 176.7 | -75.1 | -102.6 | 0 | 0 | 0 | 110.4 | I275 V287 D306 L308 C322 L343 | I275-Y345 HydrophobicContact CD1-CD2 3.76Å; I275-Y345 HydrophobicContact CD1-CE2 3.07Å; V287-Y345 HydrophobicContact CG2-CD2 3.99Å; V287-Y345 HydrophobicContact CG2-CG 4.19Å; D306-Y345 PolarHBondContact OD1-OH 3.45Å; D306-Y345 VanDerWaalsContact OD1-OH 3.12Å; D306-Y345 PolarHBondContact OD2-OH 3.31Å; L308-Y345 HydrophobicContact CD1-CD1 3.63Å; L308-Y345 HydrophobicContact CD1-CD2 4.41Å; L308-Y345 HydrophobicContact CD1-CE1 3.66Å; L308-Y345 HydrophobicContact CD1-CE2 4.49Å; L308-Y345 HydrophobicContact CD1-CG 3.99Å; L308-Y345 HydrophobicContact CD2-CE1 4.31Å; L308-Y345 HydrophobicContact CG-CD1 3.73Å; L308-Y345 HydrophobicContact CG-CE1 3.57Å; C322-Y345 HydrophobicContact CB-CD1 4.24Å; C322-Y345 HydrophobicContact CB-CE1 3.91Å; L343-Y345 HydrophobicContact CD2-CE2 4.15Å |
| 346 | D | 85.9 | Confident | 73.5 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 8% | 0.075 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 134.1 | -178.7 | -73 | -28.7 | 0 | 0 | 0 | 110.9 | R320 V321 R323 R348 L404 | R320-D346 CarbonylContact C-O 3.52Å; R320-D346 WeakPolarHBondContact CA-O 3.34Å; V321-D346 PolarHBondContact N-O 3.31Å; V321-D346 PolarHBondContact O-N 3.09Å; R323-D346 IonicContact CZ-OD1 3.27Å; R323-D346 IonicContact CZ-OD2 3.3Å; R323-D346 IonicContact NE-OD1 3.37Å; R323-D346 PolarHBondContact NE-OD1 3.4Å; R323-D346 IonicContact NE-OD2 3.79Å; R323-D346 PolarHBondContact NE-OD2 3.29Å; R323-D346 VanDerWaalsContact NH2-CG 3.27Å; R323-D346 IonicContact NH2-OD1 3.93Å; R323-D346 PolarHBondContact NH2-OD1 2.86Å; R323-D346 IonicContact NH2-OD2 2.8Å; R323-D346 PolarHBondContact NH2-OD2 3.06Å; R323-D346 VanDerWaalsContact NH2-OD2 3.09Å; D346-R348 PolarHBondContact O-N 3.03Å; D346-R348 IonicContact OD2-NH2 3.9Å; D346-L404 HydrophobicContact CB-CD2 4.01Å |
| 347 | L | 88.2 | Confident | 75.7 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 36% | 0.356 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 119.8 | 171 | 177.5 | 64 | 0 | 0 | 0 | 109.9 | T318 R320 | T318-L347 HydrophobicContact CG2-CD1 3.78Å; R320-L347 HydrophobicContact CG-CD1 4.31Å |
| 348 | R | 88.4 | Confident | 77.6 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 18% | 0.177 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -36.6 | -177.6 | -62.8 | -55.5 | -170.9 | 161.1 | 1 | 113.9 | L319 V321 D346 S405 L407 L455 | L319-R348 PolarHBondContact O-N 3.15Å; V321-R348 HydrophobicContact CB-CG 3.86Å; V321-R348 HydrophobicContact CG2-CB 4.41Å; V321-R348 HydrophobicContact CG2-CG 3.66Å; D346-R348 PolarHBondContact O-N 3.03Å; D346-R348 IonicContact OD2-NH2 3.9Å; R348-S405 PolarHBondContact NH1-O 3.02Å; R348-S405 PolarHBondContact NH2-O 3.44Å; R348-S405 PolarHBondContact NH2-OG 3.15Å; R348-L407 HydrophobicContact CG-CD1 4.08Å; R348-L455 HydrophobicContact CB-CD1 4.21Å |
| 349 | S | 89.4 | Confident | 79.5 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 150.7 | -177.7 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | T318 L319 L455 F457 | T318-S349 WeakPolarHBondContact CA-O 3.48Å; L319-S349 PolarHBondContact N-O 3.33Å; L319-S349 PolarHBondContact O-N 2.9Å; S349-L455 PolarHBondContact OG-O 2.86Å; S349-F457 WeakPolarHBondContact OG-CD2 3.4Å; S349-F457 PolarHBondContact OG-N 3.41Å |
| 350 | Q | 92.6 | Very high | 81.7 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 52% | 0.523 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 136.1 | -179.2 | -178.9 | 171.4 | 1 | 0 | 0 | 109.1 | C316 I317 T318 | C316-Q350 WeakPolarHBondContact SG-CG 3.46Å; C316-Q350 PolarHBondContact SG-NE2 3.44Å; I317-Q350 WeakPolarHBondContact O-CA 3.46Å; T318-Q350 HydrophobicContact CG2-CB 4.09Å; T318-Q350 HydrophobicContact CG2-CG 3.74Å |
| 351 | C | 92.5 | Very high | 83.5 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 169.3 | 172.7 | 84.4 | 0 | 0 | 0 | 0 | 111.3 | C316 I317 W387 F457 | C316-C351 PolarHBondContact SG-O 2.96Å; I317-C351 HydrophobicContact CB-CB 4.5Å; I317-C351 PolarHBondContact N-SG 3.45Å; I317-C351 PolarHBondContact O-N 2.67Å; C351-W387 HydrophobicContact CB-CD2 4.12Å; C351-W387 HydrophobicContact CB-CE3 3.96Å; C351-W387 HydrophobicContact CB-CH2 4.01Å; C351-W387 HydrophobicContact CB-CZ2 4.16Å; C351-W387 HydrophobicContact CB-CZ3 3.9Å; C351-F457 HydrophobicContact CB-CB 3.92Å; C351-F457 HydrophobicContact CB-CD2 4.01Å; C351-F457 HydrophobicContact CB-CG 4Å |
| 352 | D | 88.8 | Confident | 85.2 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 68% | 0.679 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 142.7 | 175.9 | -64.6 | -38.1 | 0 | 0 | 0 | 111.5 | W387 | D352-W387 HydrophobicContact CB-CH2 4.4Š|
| 353 | A | 87.5 | Confident | 86.3 | Confident | 56 Ų | 56 | 62.7 Ų | 62.7 | 46% | 0.463 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 148.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N314 C316 | N314-A353 HydrophobicContact CB-CB 4.28Å; N314-A353 WeakPolarHBondContact ND2-CB 3.43Å; C316-A353 HydrophobicContact CB-CB 4.19Å |
| 354 | I | 88.8 | Confident | 87.1 | Confident | 22 Ų | 22 | 65 Ų | 65 | 11% | 0.113 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -89.8 | 150.5 | 174 | 68.5 | 175.2 | 0 | 0 | 0 | 110.5 | N314 V356 V360 V379 M385 | N314-I354 VanDerWaalsContact O-CG1 3.3Å; N314-I354 WeakPolarHBondContact O-CG1 3.35Å; N314-I354 PolarHBondContact O-N 3.32Å; I354-V356 HydrophobicContact CG1-CG2 4.28Å; I354-V356 PolarHBondContact O-N 3.11Å; I354-V360 HydrophobicContact CD1-CG1 4.41Å; I354-V379 HydrophobicContact CD1-CG1 3.94Å; I354-V379 HydrophobicContact CD1-CG2 4.11Å; I354-M385 HydrophobicContact CG2-CE 3.75Å; I354-M385 HydrophobicContact CG2-SD 3.73Å |
| 355 | R | 85.7 | Confident | 87.8 | Confident | 222 Ų | 222 | 62.2 Ų | 62.2 | 84% | 0.838 | 30% | 0.303 | S | S | * | . | trans | -72.6 | 100.1 | 171.9 | -172.2 | -179.6 | -176 | -164 | 2 | 109.6 | ||||
| 356 | V | 83.9 | Confident | 88.2 | Confident | 69 Ų | 69 | 62.3 Ų | 62.3 | 42% | 0.418 | 30% | 0.304 | S | S | . | . | trans | -71.4 | 130.7 | 177 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | I354 V360 R361 | I354-V356 HydrophobicContact CG1-CG2 4.28Å; I354-V356 PolarHBondContact O-N 3.11Å; V356-V360 CarbonylContact C-O 3.58Å; V356-V360 WeakPolarHBondContact CA-O 3.49Å; V356-V360 WeakPolarHBondContact CG1-O 3.17Å; V356-R361 HydrophobicContact CG1-CB 4.36Å | ||
| 357 | T | 83.6 | Confident | 88.7 | Confident | 58 Ų | 58 | 62.5 Ų | 62.5 | 36% | 0.356 | 31% | 0.305 | S | S | . | . | trans | -132.5 | -179.7 | 174.4 | 71.7 | 0 | 0 | 0 | 0 | 109.4 | T359 V360 | T357-T359 PolarHBondContact O-N 3.07Å; T357-T359 PolarHBondContact OG1-N 3.09Å; T357-T359 PolarHBondContact OG1-OG1 2.98Å; T357-V360 PolarHBondContact N-O 3.49Å; T357-V360 PolarHBondContact O-N 3.37Å; T357-V360 VanDerWaalsContact O-O 3.06Å; T357-V360 WeakPolarHBondContact OG1-CB 3.1Å; T357-V360 PolarHBondContact OG1-N 3.46Å | ||
| 358 | K | 76.6 | Confident | 89 | Confident | 209 Ų | 209 | 59.7 Ų | 59.7 | 91% | 0.909 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -60.7 | -28.6 | 175.1 | -70.6 | -175 | 178.3 | -179.6 | 0 | 113 | ||
| 359 | T | 74.9 | Confident | 89.1 | Confident | 78 Ų | 78 | 59.1 Ų | 59.1 | 48% | 0.479 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -102.6 | -18.9 | -176.9 | 52.6 | 0 | 0 | 0 | 0 | 113.1 | T357 S380 L468 | T357-T359 PolarHBondContact O-N 3.07Å; T357-T359 PolarHBondContact OG1-N 3.09Å; T357-T359 PolarHBondContact OG1-OG1 2.98Å; T359-S380 PolarHBondContact O-OG 3.28Å; T359-L468 HydrophobicContact CG2-CD1 4.19Å |
| 360 | V | 86.3 | Confident | 89.2 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -119.5 | 108.4 | -177.3 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | I354 V356 T357 V379 S380 D381 R383 | I354-V360 HydrophobicContact CD1-CG1 4.41Å; V356-V360 CarbonylContact C-O 3.58Å; V356-V360 WeakPolarHBondContact CA-O 3.49Å; V356-V360 WeakPolarHBondContact CG1-O 3.17Å; T357-V360 PolarHBondContact N-O 3.49Å; T357-V360 PolarHBondContact O-N 3.37Å; T357-V360 VanDerWaalsContact O-O 3.06Å; T357-V360 WeakPolarHBondContact OG1-CB 3.1Å; T357-V360 PolarHBondContact OG1-N 3.46Å; V360-V379 HydrophobicContact CG1-CG1 3.64Å; V360-S380 WeakPolarHBondContact CA-OG 3.33Å; V360-D381 HydrophobicContact CG2-CB 4.21Å; V360-D381 WeakPolarHBondContact CG2-OD2 3.42Å; V360-R383 VanDerWaalsContact CG1-NH2 3.28Å | ||
| 361 | R | 90 | Very high | 89 | Confident | 96 Ų | 96 | 55 Ų | 55 | 36% | 0.362 | 27% | 0.274 | S | S | . | . | trans | -145.1 | 148.1 | 176.8 | 55.7 | -177.5 | 172 | 173.2 | 7.2 | 110.3 | L21 V356 Y363 S380 | L21-R361 VanDerWaalsContact CD1-NH2 3.34Å; V356-R361 HydrophobicContact CG1-CB 4.36Å; R361-Y363 HydrophobicContact CG-CD1 4.21Å; R361-Y363 HydrophobicContact CG-CE1 3.8Å; R361-Y363 VanDerWaalsContact NE-CE1 3.35Å; R361-Y363 PolarHBondContact NH2-OH 3.5Å; R361-S380 WeakPolarHBondContact CG-OG 3.43Å; R361-S380 PolarHBondContact N-OG 3.19Å; R361-S380 WeakPolarHBondContact O-CB 3.28Å; R361-S380 PolarHBondContact O-N 3.49Å; R361-S380 PolarHBondContact O-OG 2.96Å | ||
| 362 | P | 92.7 | Very high | 89 | Confident | 11 Ų | 11 | 55.6 Ų | 55.6 | 7% | 0.071 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 138.4 | 174.8 | 32.1 | -36.6 | 0 | 0 | 0 | 110.3 | E313 L377 | E313-P362 WeakPolarHBondContact O-CD 3.44Å; E313-P362 VanDerWaalsContact O-CG 3.22Å; E313-P362 WeakPolarHBondContact O-CG 3.34Å; P362-L377 HydrophobicContact CB-CD1 4.09Å |
| 363 | Y | 92.1 | Very high | 89.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -57.2 | 176.2 | -82.5 | -3.4 | 0 | 0 | 0 | 112.4 | L19 K24 R361 M378 S380 | L19-Y363 HydrophobicContact CB-CD2 4.17Å; L19-Y363 HydrophobicContact CB-CE2 3.66Å; L19-Y363 HydrophobicContact CD1-CD2 3.96Å; L19-Y363 HydrophobicContact CD1-CE2 4.29Å; L19-Y363 PolarHBondContact O-OH 3.43Å; K24-Y363 HydrophobicContact CB-CD2 4.45Å; K24-Y363 HydrophobicContact CB-CG 4.31Å; K24-Y363 HydrophobicContact CG-CD1 4.21Å; K24-Y363 HydrophobicContact CG-CG 4.15Å; R361-Y363 HydrophobicContact CG-CD1 4.21Å; R361-Y363 HydrophobicContact CG-CE1 3.8Å; R361-Y363 VanDerWaalsContact NE-CE1 3.35Å; R361-Y363 PolarHBondContact NH2-OH 3.5Å; Y363-M378 PolarHBondContact N-O 2.93Å; Y363-S380 WeakPolarHBondContact OH-CB 3.31Å |
| 364 | R | 93.7 | Very high | 89.5 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 25% | 0.249 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 149.2 | -173.9 | -163 | 78.2 | 179.8 | 163.9 | 3.1 | 110.4 | K24 V27 M378 | K24-R364 WeakPolarHBondContact O-CB 3.25Å; V27-R364 HydrophobicContact CG1-CB 3.61Å; V27-R364 HydrophobicContact CG1-CG 3.55Å; R364-M378 PolarHBondContact O-N 3.22Å |
| 365 | M | 95.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 144 | 169.6 | 173.7 | -177.7 | 67.1 | 0 | 0 | 109.5 | Q298 I300 L311 I317 I367 A375 A376 | Q298-M365 PolarHBondContact NE2-O 3.12Å; Q298-M365 PolarHBondContact OE1-O 2.87Å; I300-M365 HydrophobicContact CD1-CE 4.11Å; I300-M365 WeakPolarHBondContact CD1-O 3.43Å; I300-M365 HydrophobicContact CG1-CE 4.33Å; L311-M365 HydrophobicContact CB-CB 4.39Å; L311-M365 HydrophobicContact CB-CE 4.31Å; L311-M365 HydrophobicContact CD2-CB 4.08Å; I317-M365 HydrophobicContact CB-SD 4.19Å; I317-M365 HydrophobicContact CD1-CG 4.17Å; I317-M365 HydrophobicContact CD1-SD 3.62Å; I317-M365 HydrophobicContact CG1-SD 3.66Å; I317-M365 HydrophobicContact CG2-CE 4.48Å; I317-M365 HydrophobicContact CG2-SD 3.48Å; I317-M365 WeakPolarHBondContact CG2-SD 3.48Å; M365-I367 HydrophobicContact CE-CD1 4.45Å; M365-A375 HydrophobicContact CG-CB 4.42Å; M365-A375 HydrophobicContact SD-CB 4.4Å; M365-A376 CarbonylContact C-O 3.55Å; M365-A376 VanDerWaalsContact CA-O 3.27Å; M365-A376 WeakPolarHBondContact CA-O 3.41Å |
| 366 | V | 95.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.067 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.6 | 169.6 | -67.1 | 0 | 0 | 0 | 0 | 109.9 | V27 W29 A375 A376 M378 | V27-V366 HydrophobicContact CB-CG1 4.38Å; V27-V366 HydrophobicContact CG1-CG1 3.82Å; V27-V366 HydrophobicContact CG2-CG1 3.89Å; V27-V366 HydrophobicContact CG2-CG2 4.1Å; W29-V366 HydrophobicContact CB-CB 4.11Å; W29-V366 HydrophobicContact CB-CG2 4.12Å; W29-V366 HydrophobicContact CE3-CG2 4.02Å; V366-A375 CarbonylContact O-C 3.52Å; V366-A375 VanDerWaalsContact O-CA 3.3Å; V366-A375 WeakPolarHBondContact O-CA 3.2Å; V366-A376 HydrophobicContact CG2-CB 3.86Å; V366-A376 PolarHBondContact N-O 3.15Å; V366-A376 PolarHBondContact O-N 3.18Å; V366-M378 HydrophobicContact CG2-CE 4.34Å |
| 367 | I | 95.3 | Very high | 90.9 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 144.7 | -176 | -62.4 | 176.8 | 0 | 0 | 0 | 108.2 | I300 Y309 M365 P369 K374 A375 | I300-I367 HydrophobicContact CB-CD1 3.76Å; I300-I367 HydrophobicContact CD1-CD1 3.9Å; I300-I367 HydrophobicContact CD1-CG1 3.84Å; I300-I367 HydrophobicContact CG1-CD1 4.41Å; I300-I367 HydrophobicContact CG2-CD1 3.8Å; Y309-I367 VanDerWaalsContact CB-CD1 3.49Å; Y309-I367 HydrophobicContact CD1-CD1 3.96Å; Y309-I367 HydrophobicContact CD2-CD1 3.27Å; Y309-I367 HydrophobicContact CE1-CD1 4.46Å; Y309-I367 HydrophobicContact CE2-CD1 3.84Å; Y309-I367 HydrophobicContact CG-CD1 3.32Å; M365-I367 HydrophobicContact CE-CD1 4.45Å; I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.45Å; I367-K374 WeakPolarHBondContact CA-O 3.43Å; I367-K374 WeakPolarHBondContact CG2-O 3.43Å; I367-A375 HydrophobicContact CG1-CB 4.23Å |
| 368 | C | 94.1 | Very high | 91.4 | Very high | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | trans | -62.6 | 115.4 | 174.4 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | W29 V370 E372 K374 | W29-C368 HydrophobicContact CD2-CB 4.13Å; W29-C368 HydrophobicContact CE3-CB 4.36Å; W29-C368 HydrophobicContact CH2-CB 4.12Å; W29-C368 HydrophobicContact CZ2-CB 3.8Å; W29-C368 HydrophobicContact CZ3-CB 4.37Å; C368-V370 PolarHBondContact O-N 3.08Å; C368-E372 WeakPolarHBondContact O-CA 3.45Å; C368-E372 PolarHBondContact O-N 3Å; C368-K374 HydrophobicContact CB-CB 4.12Å; C368-K374 PolarHBondContact N-O 3.25Å | ||
| 369 | P | 91.3 | Very high | 92.1 | Very high | 34 Ų | 34 | 22 Ų | 22 | 22% | 0.221 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.4 | -175.9 | 27 | -35 | 0 | 0 | 0 | 112.9 | W31 I367 | W31-P369 HydrophobicContact CD2-CB 4.36Å; W31-P369 HydrophobicContact CD2-CG 4.31Å; W31-P369 HydrophobicContact CG-CG 4.08Å; W31-P369 HydrophobicContact CZ2-CB 4.34Å; I367-P369 VanDerWaalsContact O-CD 3.29Å; I367-P369 WeakPolarHBondContact O-CD 3.45Å |
| 370 | V | 90.8 | Very high | 92.8 | Very high | 7 Ų | 7 | 18.4 Ų | 18.4 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -43.4 | -177 | -172.4 | 0 | 0 | 0 | 0 | 112.2 | W31 Q304 C368 R920 | W31-V370 HydrophobicContact CD2-CG2 4.29Å; W31-V370 HydrophobicContact CE3-CG2 3.72Å; W31-V370 HydrophobicContact CZ3-CG2 4.26Å; W31-V370 VanDerWaalsContact O-CG2 3.29Å; W31-V370 WeakPolarHBondContact O-CG2 3.31Å; Q304-V370 PolarHBondContact NE2-O 3.48Å; C368-V370 PolarHBondContact O-N 3.08Å; V370-R920 HydrophobicContact CG1-CB 4.47Å; V370-R920 HydrophobicContact CG1-CG 3.59Å |
| 371 | N | 90.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 18.8 Ų | 18.8 | 16% | 0.16 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | -22.5 | -170.3 | -64.6 | -2.8 | 0 | 0 | 0 | 113.8 | N373 L428 S429 L430 R920 | N371-N373 WeakPolarHBondContact CB-OD1 3.35Å; N371-N373 PolarHBondContact O-N 3.47Å; N371-L428 WeakPolarHBondContact CB-O 3.43Å; N371-L428 VanDerWaalsContact CG-O 3.25Å; N371-L428 PolarHBondContact ND2-O 2.85Å; N371-S429 CarbonylContact O-C 3.6Å; N371-S429 WeakPolarHBondContact O-CA 3.3Å; N371-S429 WeakPolarHBondContact O-CB 3.32Å; N371-L430 PolarHBondContact O-N 3.02Å; N371-R920 WeakPolarHBondContact OD1-CD 2.99Å |
| 372 | E | 92.3 | Very high | 92.5 | Very high | 18 Ų | 18 | 14.4 Ų | 14.4 | 8% | 0.084 | 7% | 0.074 | C | C | . | . | S | Bend | trans | 54.5 | 14.5 | -178.6 | -58 | -170.8 | 153.7 | 0 | 0 | 116 | C302 A303 Q304 Y309 C368 L430 | C302-E372 WeakPolarHBondContact CB-OE2 3.5Å; A303-E372 WeakPolarHBondContact CB-OE1 3.42Å; A303-E372 PolarHBondContact N-OE1 3.2Å; A303-E372 PolarHBondContact N-OE2 3.17Å; Q304-E372 WeakPolarHBondContact CB-OE2 3.4Å; Q304-E372 HydrophobicContact CG-CG 4.34Å; Q304-E372 VanDerWaalsContact CG-OE2 3.27Å; Q304-E372 WeakPolarHBondContact CG-OE2 3.49Å; Q304-E372 PolarHBondContact N-OE2 3.4Å; Y309-E372 PolarHBondContact OH-O 2.92Å; C368-E372 WeakPolarHBondContact O-CA 3.45Å; C368-E372 PolarHBondContact O-N 3Å; E372-L430 HydrophobicContact CB-CB 3.95Å; E372-L430 HydrophobicContact CB-CD2 4.22Å |
| 373 | N | 93 | Very high | 92.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -113.3 | 0.6 | 179.1 | 69.5 | -12.6 | 0 | 0 | 0 | 113.7 | N371 L389 D427 M433 | N371-N373 WeakPolarHBondContact CB-OD1 3.35Å; N371-N373 PolarHBondContact O-N 3.47Å; N373-L389 HydrophobicContact CB-CB 4.37Å; N373-L389 WeakPolarHBondContact O-CB 2.88Å; N373-L389 PolarHBondContact O-N 3.38Å; N373-D427 PolarHBondContact ND2-O 2.66Å; N373-M433 HydrophobicContact CB-SD 3.81Å |
| 374 | K | 93.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 17 Ų | 17 | 21% | 0.213 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136 | 176.4 | -64.7 | -178.8 | -175.9 | -155.8 | 0 | 110.2 | W29 I367 C368 W387 E388 | W29-K374 HydrophobicContact CH2-CB 3.65Å; W29-K374 HydrophobicContact CZ2-CB 4.37Å; W29-K374 HydrophobicContact CZ3-CB 4.24Å; I367-K374 WeakPolarHBondContact CA-O 3.43Å; I367-K374 WeakPolarHBondContact CG2-O 3.43Å; C368-K374 HydrophobicContact CB-CB 4.12Å; C368-K374 PolarHBondContact N-O 3.25Å; K374-W387 CarbonylContact C-O 3.57Å; K374-W387 WeakPolarHBondContact CA-O 2.89Å; K374-E388 WeakPolarHBondContact CE-OE1 3.19Å; K374-E388 HydrophobicContact CG-CB 4.46Å; K374-E388 HydrophobicContact CG-CG 4.19Å; K374-E388 IonicContact NZ-OE1 2.71Å; K374-E388 PolarHBondContact NZ-OE1 2.88Å |
| 375 | A | 95.4 | Very high | 92.3 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 2% | 0.017 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I317 M365 V366 I367 W387 | I317-A375 HydrophobicContact CD1-CB 4.42Å; M365-A375 HydrophobicContact CG-CB 4.42Å; M365-A375 HydrophobicContact SD-CB 4.4Å; V366-A375 CarbonylContact O-C 3.52Å; V366-A375 VanDerWaalsContact O-CA 3.3Å; V366-A375 WeakPolarHBondContact O-CA 3.2Å; I367-A375 HydrophobicContact CG1-CB 4.23Å; A375-W387 PolarHBondContact N-O 3.41Å; A375-W387 PolarHBondContact O-N 3.39Å |
| 376 | A | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 131.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | W29 I35 M365 V366 M378 M385 L386 | W29-A376 HydrophobicContact CE3-CB 4.27Å; W29-A376 HydrophobicContact CZ3-CB 3.92Å; I35-A376 HydrophobicContact CD1-CB 3.56Å; M365-A376 CarbonylContact C-O 3.55Å; M365-A376 VanDerWaalsContact CA-O 3.27Å; M365-A376 WeakPolarHBondContact CA-O 3.41Å; V366-A376 HydrophobicContact CG2-CB 3.86Å; V366-A376 PolarHBondContact N-O 3.15Å; V366-A376 PolarHBondContact O-N 3.18Å; A376-M378 HydrophobicContact CB-CE 3.6Å; A376-M385 CarbonylContact C-O 3.53Å; A376-M385 WeakPolarHBondContact CA-O 3.39Å; A376-L386 HydrophobicContact CB-CD2 3.52Å |
| 377 | L | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.4 | 177.9 | 177.9 | 64.8 | 0 | 0 | 0 | 110.3 | L311 G315 I317 P362 V379 V384 M385 | L311-L377 HydrophobicContact CD1-CD1 3.58Å; L311-L377 HydrophobicContact CD2-CD1 4.13Å; G315-L377 VanDerWaalsContact O-CD2 3.31Å; G315-L377 WeakPolarHBondContact O-CD2 3.21Å; I317-L377 HydrophobicContact CD1-CB 4.27Å; P362-L377 HydrophobicContact CB-CD1 4.09Å; L377-V379 HydrophobicContact CD2-CG2 4.46Å; L377-V379 HydrophobicContact CG-CG2 4.33Å; L377-V384 WeakPolarHBondContact O-CA 3.22Å; L377-M385 HydrophobicContact CB-CB 4.3Å; L377-M385 HydrophobicContact CD2-SD 4.43Å; L377-M385 PolarHBondContact N-O 3.03Å; L377-M385 PolarHBondContact O-N 3.33Å |
| 378 | M | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.02 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.5 | 173.6 | -52.1 | -57.5 | 126 | 0 | 0 | 110 | V27 I35 Q37 Y363 R364 V366 A376 V384 | V27-M378 HydrophobicContact CB-CG 4.16Å; V27-M378 HydrophobicContact CG1-CG 4.14Å; V27-M378 HydrophobicContact CG2-CE 4.08Å; V27-M378 HydrophobicContact CG2-CG 3.81Å; V27-M378 HydrophobicContact CG2-SD 4.09Å; I35-M378 HydrophobicContact CG2-CE 4.3Å; Q37-M378 HydrophobicContact CG-SD 4.19Å; Y363-M378 PolarHBondContact N-O 2.93Å; R364-M378 PolarHBondContact O-N 3.22Å; V366-M378 HydrophobicContact CG2-CE 4.34Å; A376-M378 HydrophobicContact CB-CE 3.6Å; M378-V384 HydrophobicContact CE-CB 4.39Å; M378-V384 HydrophobicContact CE-CG1 3.37Å; M378-V384 HydrophobicContact CE-CG2 4.33Å; M378-V384 HydrophobicContact SD-CB 4.22Å; M378-V384 HydrophobicContact SD-CG1 3.8Å; M378-V384 HydrophobicContact SD-CG2 3.58Å; M378-V384 VanDerWaalsContact SD-CG2 3.58Å |
| 379 | V | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 146.2 | 178.7 | -170 | 0 | 0 | 0 | 0 | 109.7 | L19 I354 V360 L377 D381 G382 R383 M385 | L19-V379 WeakPolarHBondContact CD1-O 3.35Å; I354-V379 HydrophobicContact CD1-CG1 3.94Å; I354-V379 HydrophobicContact CD1-CG2 4.11Å; V360-V379 HydrophobicContact CG1-CG1 3.64Å; L377-V379 HydrophobicContact CD2-CG2 4.46Å; L377-V379 HydrophobicContact CG-CG2 4.33Å; V379-D381 WeakPolarHBondContact CB-OD1 3.45Å; V379-D381 VanDerWaalsContact CG1-OD1 3.24Å; V379-D381 WeakPolarHBondContact CG1-OD1 3.46Å; V379-D381 PolarHBondContact O-N 3.29Å; V379-D381 VanDerWaalsContact O-N 3.14Å; V379-G382 PolarHBondContact O-N 3.32Å; V379-R383 HydrophobicContact CB-CB 4.2Å; V379-R383 HydrophobicContact CG2-CB 4.44Å; V379-R383 PolarHBondContact N-O 2.84Å; V379-M385 HydrophobicContact CG2-CE 4.4Å |
| 380 | S | 89.9 | Confident | 92.2 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 2% | 0.021 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.3 | -175.2 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | T18 L19 T359 V360 R361 Y363 G382 | T18-S380 WeakPolarHBondContact CG2-O 3.31Å; L19-S380 PolarHBondContact N-O 3.36Å; T359-S380 PolarHBondContact O-OG 3.28Å; V360-S380 WeakPolarHBondContact CA-OG 3.33Å; R361-S380 WeakPolarHBondContact CG-OG 3.43Å; R361-S380 PolarHBondContact N-OG 3.19Å; R361-S380 WeakPolarHBondContact O-CB 3.28Å; R361-S380 PolarHBondContact O-N 3.49Å; R361-S380 PolarHBondContact O-OG 2.96Å; Y363-S380 WeakPolarHBondContact OH-CB 3.31Å; S380-G382 PolarHBondContact O-N 3.23Å |
| 381 | D | 84.6 | Confident | 92.1 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 12% | 0.123 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.9 | 176.6 | 61.3 | 1.8 | 0 | 0 | 0 | 113.3 | V360 V379 R383 | V360-D381 HydrophobicContact CG2-CB 4.21Å; V360-D381 WeakPolarHBondContact CG2-OD2 3.42Å; V379-D381 WeakPolarHBondContact CB-OD1 3.45Å; V379-D381 VanDerWaalsContact CG1-OD1 3.24Å; V379-D381 WeakPolarHBondContact CG1-OD1 3.46Å; V379-D381 PolarHBondContact O-N 3.29Å; V379-D381 VanDerWaalsContact O-N 3.14Å; D381-R383 VanDerWaalsContact C-N 3.33Å; D381-R383 WeakPolarHBondContact OD1-CB 3.19Å; D381-R383 PolarHBondContact OD1-N 2.78Å; D381-R383 IonicContact OD1-NE 2.84Å; D381-R383 PolarHBondContact OD1-NE 3.02Å; D381-R383 IonicContact OD2-CZ 3.99Å; D381-R383 IonicContact OD2-NE 3.62Å; D381-R383 PolarHBondContact OD2-NE 2.83Å; D381-R383 IonicContact OD2-NH2 3.98Å; D381-R383 PolarHBondContact OD2-NH2 3.38Å |
| 382 | G | 85.4 | Confident | 91.8 | Very high | 5 Ų | 5 | 20 Ų | 20 | 5% | 0.052 | 9% | 0.092 | C | C | . | . | S | Bend | trans | 87.4 | -0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G17 V379 S380 | G17-G382 WeakPolarHBondContact O-CA 3.47Å; V379-G382 PolarHBondContact O-N 3.32Å; S380-G382 PolarHBondContact O-N 3.23Å |
| 383 | R | 88 | Confident | 91 | Very high | 74 Ų | 74 | 21.6 Ų | 21.6 | 28% | 0.279 | 10% | 0.103 | S | C | . | . | trans | -71.4 | 140.3 | 174.3 | -70.9 | -175.8 | -70 | 176.5 | -6.9 | 111.8 | V360 V379 D381 L462 L463 | V360-R383 VanDerWaalsContact CG1-NH2 3.28Å; V379-R383 HydrophobicContact CB-CB 4.2Å; V379-R383 HydrophobicContact CG2-CB 4.44Å; V379-R383 PolarHBondContact N-O 2.84Å; D381-R383 VanDerWaalsContact C-N 3.33Å; D381-R383 WeakPolarHBondContact OD1-CB 3.19Å; D381-R383 PolarHBondContact OD1-N 2.78Å; D381-R383 IonicContact OD1-NE 2.84Å; D381-R383 PolarHBondContact OD1-NE 3.02Å; D381-R383 IonicContact OD2-CZ 3.99Å; D381-R383 IonicContact OD2-NE 3.62Å; D381-R383 PolarHBondContact OD2-NE 2.83Å; D381-R383 IonicContact OD2-NH2 3.98Å; D381-R383 PolarHBondContact OD2-NH2 3.38Å; R383-L462 HydrophobicContact CB-CD1 4.41Å; R383-L463 WeakPolarHBondContact CA-O 3.42Å | ||
| 384 | V | 92.2 | Very high | 89.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 116.7 | 170.4 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | M46 L377 M378 L386 L462 L463 | M46-V384 HydrophobicContact CE-CG2 4.14Å; M46-V384 HydrophobicContact SD-CG2 3.97Å; L377-V384 WeakPolarHBondContact O-CA 3.22Å; M378-V384 HydrophobicContact CE-CB 4.39Å; M378-V384 HydrophobicContact CE-CG1 3.37Å; M378-V384 HydrophobicContact CE-CG2 4.33Å; M378-V384 HydrophobicContact SD-CB 4.22Å; M378-V384 HydrophobicContact SD-CG1 3.8Å; M378-V384 HydrophobicContact SD-CG2 3.58Å; M378-V384 VanDerWaalsContact SD-CG2 3.58Å; V384-L386 HydrophobicContact CG1-CD2 4.01Å; V384-L386 HydrophobicContact CG1-CG 4.49Å; V384-L462 WeakPolarHBondContact O-CA 3.49Å; V384-L463 HydrophobicContact CB-CB 4.08Å; V384-L463 HydrophobicContact CB-CD1 4.39Å; V384-L463 PolarHBondContact N-O 3.09Å; V384-L463 PolarHBondContact O-N 2.92Å |
| 385 | M | 93.1 | Very high | 87.5 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 8% | 0.084 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.2 | 179.1 | -59.1 | -178.9 | 174.9 | 0 | 0 | 109.8 | I354 A376 L377 V379 L459 L462 | I354-M385 HydrophobicContact CG2-CE 3.75Å; I354-M385 HydrophobicContact CG2-SD 3.73Å; A376-M385 CarbonylContact C-O 3.53Å; A376-M385 WeakPolarHBondContact CA-O 3.39Å; L377-M385 HydrophobicContact CB-CB 4.3Å; L377-M385 HydrophobicContact CD2-SD 4.43Å; L377-M385 PolarHBondContact N-O 3.03Å; L377-M385 PolarHBondContact O-N 3.33Å; V379-M385 HydrophobicContact CG2-CE 4.4Å; M385-L459 HydrophobicContact CB-CD1 3.94Å; M385-L462 HydrophobicContact CE-CD1 4.43Å; M385-L462 HydrophobicContact CG-CD1 3.8Å |
| 386 | L | 95.1 | Very high | 85.1 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 117.6 | -177.3 | -57.6 | 172.9 | 0 | 0 | 0 | 109.8 | I35 P48 A51 A376 V384 T460 G461 | I35-L386 HydrophobicContact CD1-CD2 3.93Å; P48-L386 HydrophobicContact CB-CD1 4.24Å; P48-L386 HydrophobicContact CB-CD2 4.16Å; P48-L386 WeakPolarHBondContact O-CD1 3.38Å; A51-L386 HydrophobicContact CB-CD1 4.01Å; A376-L386 HydrophobicContact CB-CD2 3.52Å; V384-L386 HydrophobicContact CG1-CD2 4.01Å; V384-L386 HydrophobicContact CG1-CG 4.49Å; L386-T460 PolarHBondContact O-N 3.25Å; L386-T460 PolarHBondContact O-OG1 3.27Å; L386-G461 PolarHBondContact N-O 2.99Å; L386-G461 PolarHBondContact O-N 3.49Å |
| 387 | W | 94.9 | Very high | 82.6 | Confident | 17 Ų | 17 | 43 Ų | 43 | 6% | 0.064 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.1 | -177.2 | -61.6 | 94.8 | 0 | 0 | 0 | 110.4 | C351 D352 K374 A375 F457 L458 L459 | C351-W387 HydrophobicContact CB-CD2 4.12Å; C351-W387 HydrophobicContact CB-CE3 3.96Å; C351-W387 HydrophobicContact CB-CH2 4.01Å; C351-W387 HydrophobicContact CB-CZ2 4.16Å; C351-W387 HydrophobicContact CB-CZ3 3.9Å; D352-W387 HydrophobicContact CB-CH2 4.4Å; K374-W387 CarbonylContact C-O 3.57Å; K374-W387 WeakPolarHBondContact CA-O 2.89Å; A375-W387 PolarHBondContact N-O 3.41Å; A375-W387 PolarHBondContact O-N 3.39Å; W387-F457 HydrophobicContact CB-CD1 4.18Å; W387-F457 HydrophobicContact CE3-CB 4.07Å; W387-L458 CarbonylContact C-O 3.6Å; W387-L458 WeakPolarHBondContact CA-O 3.24Å; W387-L459 HydrophobicContact CD2-CD1 4.08Å; W387-L459 HydrophobicContact CE3-CB 3.97Å; W387-L459 HydrophobicContact CE3-CD1 4.36Å; W387-L459 HydrophobicContact CH2-CB 4.08Å; W387-L459 HydrophobicContact CH2-CD1 4.26Å; W387-L459 HydrophobicContact CZ2-CD1 3.97Å; W387-L459 HydrophobicContact CZ3-CB 3.72Å; W387-L459 HydrophobicContact CZ3-CD1 4.45Å |
| 388 | E | 94.1 | Very high | 80 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 131.1 | 171.9 | -174.2 | 172.8 | -128.4 | 0 | 0 | 109 | K374 K390 L458 T460 | K374-E388 WeakPolarHBondContact CE-OE1 3.19Å; K374-E388 HydrophobicContact CG-CB 4.46Å; K374-E388 HydrophobicContact CG-CG 4.19Å; K374-E388 IonicContact NZ-OE1 2.71Å; K374-E388 PolarHBondContact NZ-OE1 2.88Å; E388-K390 HydrophobicContact CG-CG 4.35Å; E388-K390 WeakPolarHBondContact OE2-CE 3.14Å; E388-K390 IonicContact OE2-NZ 3.7Å; E388-L458 PolarHBondContact N-O 3.49Å; E388-L458 PolarHBondContact O-N 3.13Å; E388-T460 HydrophobicContact CB-CG2 3.56Å |
| 389 | L | 93.8 | Very high | 77.4 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 125.2 | 172.7 | -169.1 | 77.4 | 0 | 0 | 0 | 108.4 | L319 N373 L430 M433 L455 F457 | L319-L389 HydrophobicContact CD2-CD1 3.99Å; L319-L389 HydrophobicContact CD2-CD2 3.47Å; L319-L389 VanDerWaalsContact CD2-CD2 3.47Å; L319-L389 HydrophobicContact CD2-CG 4.38Å; N373-L389 HydrophobicContact CB-CB 4.37Å; N373-L389 WeakPolarHBondContact O-CB 2.88Å; N373-L389 PolarHBondContact O-N 3.38Å; L389-L430 HydrophobicContact CD2-CD1 4.11Å; L389-M433 HydrophobicContact CB-CE 4.27Å; L389-M433 HydrophobicContact CD2-CE 3.94Å; L389-M433 HydrophobicContact CD2-SD 4.33Å; L389-M433 HydrophobicContact CG-CE 3.88Å; L389-M433 VanDerWaalsContact O-CE 3.24Å; L389-M433 WeakPolarHBondContact O-CE 3.4Å; L389-L455 HydrophobicContact CD1-CB 4.12Å; L389-L455 HydrophobicContact CD2-CD1 4.4Å; L389-L455 HydrophobicContact CD2-CD2 4.25Å; L389-L455 HydrophobicContact CG-CB 4.48Å; L389-F457 HydrophobicContact CB-CE1 4.41Å; L389-F457 HydrophobicContact CD1-CD1 4.03Å; L389-F457 HydrophobicContact CD1-CD2 4.36Å; L389-F457 HydrophobicContact CD1-CE1 3.88Å; L389-F457 HydrophobicContact CD1-CE2 4.22Å; L389-F457 HydrophobicContact CD1-CG 4.28Å; L389-F457 HydrophobicContact CD1-CZ 3.98Å |
| 390 | K | 91.4 | Very high | 75 | Confident | 67 Ų | 67 | 58.9 Ų | 58.9 | 29% | 0.291 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.9 | 175.6 | -64.3 | -155.7 | -175.8 | -178.7 | 0 | 112.5 | E388 M433 K456 L458 | E388-K390 HydrophobicContact CG-CG 4.35Å; E388-K390 WeakPolarHBondContact OE2-CE 3.14Å; E388-K390 IonicContact OE2-NZ 3.7Å; K390-M433 VanDerWaalsContact C-CE 3.43Å; K390-K456 PolarHBondContact N-O 3.31Å; K390-K456 PolarHBondContact O-N 2.88Å; K390-L458 HydrophobicContact CB-CD1 4.24Å; K390-L458 HydrophobicContact CD-CD1 3.47Å; K390-L458 VanDerWaalsContact CD-CD1 3.47Å; K390-L458 HydrophobicContact CG-CD1 3.77Å |
| 391 | A | 88.6 | Confident | 72.7 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 7% | 0.066 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q426 D427 M433 V453 L455 | A391-Q426 HydrophobicContact CB-CG 4.47Å; A391-D427 WeakPolarHBondContact CB-OD1 3.47Å; A391-D427 PolarHBondContact N-OD1 3.23Å; A391-M433 HydrophobicContact CB-CB 4.13Å; A391-M433 HydrophobicContact CB-CE 3.73Å; A391-M433 HydrophobicContact CB-CG 4.13Å; A391-M433 VanDerWaalsContact N-CE 3.25Å; A391-V453 HydrophobicContact CB-CG1 3.56Å; A391-L455 HydrophobicContact CB-CD2 4.33Å |
| 392 | H | 84.6 | Confident | 71.1 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 44% | 0.444 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.8 | 172.4 | -64.6 | 69.8 | 0 | 0 | 0 | 108.2 | Q454 | H392-Q454 PolarHBondContact N-O 2.77Å; H392-Q454 PolarHBondContact O-N 3.41Å |
| 393 | T | 75.8 | Confident | 69.8 | Low | 51 Ų | 51 | 69.1 Ų | 69.1 | 31% | 0.313 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 126.4 | 170.5 | 43.9 | 0 | 0 | 0 | 0 | 109.4 | Q451 V453 | T393-Q451 HydrophobicContact CG2-CB 3.74Å; T393-Q451 VanDerWaalsContact CG2-OE1 3.31Å; T393-Q451 PolarHBondContact OG1-OE1 3.12Å; T393-V453 HydrophobicContact CG2-CG2 3.93Å |
| 394 | G | 60.6 | Low | 68.7 | Low | 51 Ų | 51 | 69.3 Ų | 69.3 | 53% | 0.526 | 41% | 0.407 | S | S | . | . | trans | -136.8 | 155.7 | -180 | 0 | 0 | 0 | 0 | 0 | 111.4 | S396 | G394-S396 PolarHBondContact O-N 3.49Š| ||
| 395 | R | 52.5 | Low | 67.5 | Low | 251 Ų | 251 | 70.9 Ų | 70.9 | 95% | 0.947 | 42% | 0.418 | S | S | * | . | trans | -71.4 | 120.7 | 162.5 | -78.2 | -176.9 | 175.9 | 179.5 | -1.2 | 107.4 | V397 | R395-V397 PolarHBondContact O-N 3.45Å; R395-V397 VanDerWaalsContact O-N 3.11Å | ||
| 396 | S | 44.9 | Very low | 66.5 | Low | 71 Ų | 71 | 73 Ų | 73 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | trans | -46 | 114.4 | -178.1 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | G394 V398 E452 | G394-S396 PolarHBondContact O-N 3.49Å; S396-V398 PolarHBondContact O-N 3.13Å; S396-E452 PolarHBondContact OG-OE2 3Å | ||
| 397 | V | 43 | Very low | 65.7 | Low | 128 Ų | 128 | 73.6 Ų | 73.6 | 78% | 0.776 | 44% | 0.436 | S | S | * | . | trans | -83.6 | 97 | 151.4 | 179.6 | 0 | 0 | 0 | 0 | 103.8 | R395 N399 | R395-V397 PolarHBondContact O-N 3.45Å; R395-V397 VanDerWaalsContact O-N 3.11Å; V397-N399 PolarHBondContact O-N 3.31Å | ||
| 398 | V | 41.1 | Very low | 65.1 | Low | 104 Ų | 104 | 76.2 Ų | 76.2 | 63% | 0.63 | 45% | 0.446 | S | S | * | . | trans | -57.2 | 101.4 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | S396 P400 | S396-V398 PolarHBondContact O-N 3.13Å; V398-P400 HydrophobicContact CG1-CG 4.02Å; V398-P400 WeakPolarHBondContact O-CD 3.46Å | ||
| 399 | N | 38.8 | Very low | 64.4 | Low | 119 Ų | 119 | 75.3 Ų | 75.3 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | trans | -94.1 | 100.2 | 157.6 | -100.8 | -5.9 | 0 | 0 | 0 | 105.7 | V397 S401 | V397-N399 PolarHBondContact O-N 3.31Å; N399-S401 PolarHBondContact O-N 3.05Å | ||
| 400 | P | 43 | Very low | 63.6 | Low | 117 Ų | 117 | 75.9 Ų | 75.9 | 76% | 0.76 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 5.8 | -176 | -6.5 | 20.3 | 0 | 0 | 0 | 113.8 | V398 | V398-P400 HydrophobicContact CG1-CG 4.02Å; V398-P400 WeakPolarHBondContact O-CD 3.46Å |
| 401 | S | 41.1 | Very low | 62.7 | Low | 105 Ų | 105 | 75.3 Ų | 75.3 | 73% | 0.734 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2.4 | -167 | 63.3 | 0 | 0 | 0 | 0 | 115.3 | N399 | N399-S401 PolarHBondContact O-N 3.05Š|
| 402 | S | 51.3 | Low | 62 | Low | 77 Ų | 77 | 76.6 Ų | 76.6 | 54% | 0.538 | 46% | 0.458 | S | S | . | . | S | Bend | trans | -94.2 | -19.3 | -173.1 | 67.6 | 0 | 0 | 0 | 0 | 115.7 | L404 | S402-L404 PolarHBondContact O-N 3.41Š|
| 403 | G | 57.5 | Low | 61.8 | Low | 64 Ų | 64 | 72.4 Ų | 72.4 | 66% | 0.66 | 44% | 0.438 | S | S | * | . | trans | 57.7 | 18.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R323 | R323-G403 PolarHBondContact NH2-O 2.78Š| ||
| 404 | L | 64.7 | Low | 61.8 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 41% | 0.408 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -95.2 | 139.1 | 179.8 | -67.5 | 172 | 0 | 0 | 0 | 110.4 | D346 S402 | D346-L404 HydrophobicContact CB-CD2 4.01Å; S402-L404 PolarHBondContact O-N 3.41Å |
| 405 | S | 68.3 | Low | 62.1 | Low | 35 Ų | 35 | 69.7 Ų | 69.7 | 25% | 0.245 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.1 | 173.4 | 51.5 | 0 | 0 | 0 | 0 | 110.9 | R348 | R348-S405 PolarHBondContact NH1-O 3.02Å; R348-S405 PolarHBondContact NH2-O 3.44Å; R348-S405 PolarHBondContact NH2-OG 3.15Å |
| 406 | P | 70.7 | Confident | 63 | Low | 61 Ų | 61 | 58 Ų | 58 | 40% | 0.396 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 146.6 | -180 | 26.7 | -33.4 | 0 | 0 | 0 | 111.8 | Y408 E452 | P406-Y408 HydrophobicContact CB-CE2 4.09Å; P406-Y408 HydrophobicContact CG-CE2 3.9Å; P406-Y408 WeakPolarHBondContact CG-OH 3.47Å; P406-E452 HydrophobicContact CB-CG 4.29Å |
| 407 | L | 80.1 | Confident | 64.5 | Low | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.099 | 38% | 0.375 | C | S | . | . | trans | -104.8 | 142.6 | 170.3 | -64.4 | 179.1 | 0 | 0 | 0 | 109.3 | V321 R348 I434 E452 V453 L455 | V321-L407 HydrophobicContact CG1-CD2 4.47Å; R348-L407 HydrophobicContact CG-CD1 4.08Å; L407-I434 HydrophobicContact CB-CG2 4.46Å; L407-I434 HydrophobicContact CD1-CD1 4.43Å; L407-I434 HydrophobicContact CD1-CG2 4.47Å; L407-I434 HydrophobicContact CD2-CG2 3.99Å; L407-E452 CarbonylContact O-C 3.56Å; L407-E452 VanDerWaalsContact O-CA 3.32Å; L407-E452 WeakPolarHBondContact O-CA 3.47Å; L407-V453 PolarHBondContact O-N 3.49Å; L407-L455 HydrophobicContact CD1-CD1 3.99Å; L407-L455 HydrophobicContact CD1-CG 4.5Å | ||
| 408 | Y | 81.2 | Confident | 66 | Low | 71 Ų | 71 | 54.5 Ų | 54.5 | 28% | 0.278 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -119.9 | 150.4 | -177.5 | -62.5 | -77.5 | 0 | 0 | 0 | 112.4 | P406 S435 Q450 Q451 | P406-Y408 HydrophobicContact CB-CE2 4.09Å; P406-Y408 HydrophobicContact CG-CE2 3.9Å; P406-Y408 WeakPolarHBondContact CG-OH 3.47Å; Y408-S435 WeakPolarHBondContact O-CB 3.47Å; Y408-S435 PolarHBondContact O-N 2.97Å; Y408-S435 PolarHBondContact O-OG 3.33Å; Y408-Q450 HydrophobicContact CD1-CB 4.05Å; Y408-Q451 WeakPolarHBondContact CA-O 3.36Å |
| 409 | S | 79.6 | Confident | 67.5 | Low | 8 Ų | 8 | 50.8 Ų | 50.8 | 6% | 0.056 | 33% | 0.334 | C | S | . | . | trans | -70.8 | 139.1 | 172.8 | 65 | 0 | 0 | 0 | 0 | 110.8 | Q451 | S409-Q451 PolarHBondContact N-O 3.44Š| ||
| 410 | P | 76.8 | Confident | 68.9 | Low | 12 Ų | 12 | 51.4 Ų | 51.4 | 8% | 0.078 | 34% | 0.344 | C | S | . | . | trans | -58.1 | 146.7 | 171.3 | -22.7 | 32.6 | 0 | 0 | 0 | 113.3 | N431 S432 | P410-N431 WeakPolarHBondContact CG-O 3.44Å; P410-S432 WeakPolarHBondContact CD-O 3.47Å; P410-S432 WeakPolarHBondContact CG-O 3.34Å | ||
| 411 | V | 72.3 | Confident | 70.5 | Confident | 55 Ų | 55 | 52 Ų | 52 | 33% | 0.333 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -90.4 | -7.7 | 174.5 | -74.9 | 0 | 0 | 0 | 0 | 113.2 | Q450 | V411-Q450 HydrophobicContact CG1-CG 4.39Š|
| 412 | S | 75.4 | Confident | 72.5 | Confident | 36 Ų | 36 | 47.9 Ų | 47.9 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.7 | 178 | 58.7 | 0 | 0 | 0 | 0 | 111.7 | A416 | S412-A416 CarbonylContact C-O 3.59Å; S412-A416 WeakPolarHBondContact CA-O 3.38Å; S412-A416 WeakPolarHBondContact CB-O 3.39Å |
| 413 | F | 79.9 | Confident | 74 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.8 | 172 | 178.8 | -108.6 | 0 | 0 | 0 | 109.6 | G415 A416 L418 R424 I425 L428 V903 Q913 | F413-G415 VanDerWaalsContact C-N 3.25Å; F413-G415 PolarHBondContact O-N 3.11Å; F413-A416 PolarHBondContact N-O 3.19Å; F413-A416 PolarHBondContact O-N 3.42Å; F413-L418 HydrophobicContact CB-CD2 3.51Å; F413-L418 HydrophobicContact CB-CG 4.01Å; F413-L418 HydrophobicContact CG-CD2 4.38Å; F413-R424 HydrophobicContact CB-CB 4.48Å; F413-R424 HydrophobicContact CD2-CB 4.02Å; F413-R424 HydrophobicContact CE2-CB 4.39Å; F413-R424 HydrophobicContact CG-CB 4.1Å; F413-I425 HydrophobicContact CE2-CB 4.39Å; F413-L428 HydrophobicContact CE2-CD2 3.75Å; F413-L428 HydrophobicContact CZ-CD2 3.99Å; F413-V903 HydrophobicContact CE1-CG1 4.08Å; F413-V903 HydrophobicContact CZ-CG1 4.36Å; F413-Q913 PolarHBondContact O-NE2 3.48Å; F413-Q913 VanDerWaalsContact O-NE2 3.09Å |
| 414 | C | 74.6 | Confident | 75.2 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 7% | 0.074 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 43.2 | -176.4 | -73.2 | 0 | 0 | 0 | 0 | 113.4 | A416 Q913 L916 R920 | C414-A416 VanDerWaalsContact C-N 3.3Å; C414-A416 PolarHBondContact O-N 3.29Å; C414-Q913 HydrophobicContact CB-CB 4.15Å; C414-Q913 HydrophobicContact CB-CG 4.02Å; C414-L916 HydrophobicContact CB-CB 4.47Å; C414-L916 HydrophobicContact CB-CD2 3.67Å; C414-L916 WeakPolarHBondContact O-CD2 3.27Å; C414-R920 PolarHBondContact SG-NH1 3.16Å |
| 415 | G | 66.9 | Low | 76 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 35% | 0.351 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 15.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F413 S935 Q939 | F413-G415 VanDerWaalsContact C-N 3.25Å; F413-G415 PolarHBondContact O-N 3.11Å; G415-S935 PolarHBondContact O-OG 2.79Å; G415-S935 VanDerWaalsContact O-OG 3.08Å; G415-Q939 PolarHBondContact O-NE2 2.77Å; G415-Q939 PolarHBondContact O-OE1 2.77Å |
| 416 | A | 72.8 | Confident | 76.4 | Confident | 7 Ų | 7 | 49.3 Ų | 49.3 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 146.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S412 F413 C414 Q913 Q939 | S412-A416 CarbonylContact C-O 3.59Å; S412-A416 WeakPolarHBondContact CA-O 3.38Å; S412-A416 WeakPolarHBondContact CB-O 3.39Å; F413-A416 PolarHBondContact N-O 3.19Å; F413-A416 PolarHBondContact O-N 3.42Å; C414-A416 VanDerWaalsContact C-N 3.3Å; C414-A416 PolarHBondContact O-N 3.29Å; A416-Q913 HydrophobicContact CB-CG 3.85Å; A416-Q939 VanDerWaalsContact CA-NE2 3.28Å |
| 417 | P | 75 | Confident | 77 | Confident | 74 Ų | 74 | 48.3 Ų | 48.3 | 48% | 0.481 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 141.6 | 174 | 26.7 | -33.3 | 0 | 0 | 0 | 110.4 | Q939 | P417-Q939 VanDerWaalsContact CD-OE1 3.23Å |
| 418 | L | 74.5 | Confident | 77.1 | Confident | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 131.6 | -178.5 | -77.9 | 160.2 | 0 | 0 | 0 | 111.4 | F413 R424 | F413-L418 HydrophobicContact CB-CD2 3.51Å; F413-L418 HydrophobicContact CB-CG 4.01Å; F413-L418 HydrophobicContact CG-CD2 4.38Å; L418-R424 HydrophobicContact CD2-CB 3.94Å; L418-R424 HydrophobicContact CD2-CG 4.49Å |
| 419 | G | 72.5 | Confident | 77.4 | Confident | 27 Ų | 27 | 44.6 Ų | 44.6 | 28% | 0.278 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 156.8 | 165 | 0 | 0 | 0 | 0 | 0 | 111.6 | N421 Q422 | G419-N421 VanDerWaalsContact C-N 3.26Å; G419-N421 PolarHBondContact O-N 2.9Å; G419-Q422 PolarHBondContact O-N 3.45Å |
| 420 | P | 69.6 | Low | 77.8 | Confident | 131 Ų | 131 | 44.2 Ų | 44.2 | 85% | 0.851 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.9 | -176.1 | 23.5 | -32.8 | 0 | 0 | 0 | 114 | ||
| 421 | N | 76.5 | Confident | 78.1 | Confident | 130 Ų | 130 | 45.4 Ų | 45.4 | 70% | 0.695 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.4 | 8.6 | 179.3 | -64.2 | -35.6 | 0 | 0 | 0 | 113.3 | G419 K423 | G419-N421 VanDerWaalsContact C-N 3.26Å; G419-N421 PolarHBondContact O-N 2.9Å; N421-K423 PolarHBondContact O-N 3.44Å |
| 422 | Q | 82.3 | Confident | 78.6 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | trans | -70.7 | 129.8 | -173.9 | -174.4 | 173.8 | 37.8 | 0 | 0 | 111.1 | G419 E908 | G419-Q422 PolarHBondContact O-N 3.45Å; Q422-E908 HydrophobicContact CB-CB 4.38Å; Q422-E908 HydrophobicContact CG-CB 4.42Å; Q422-E908 PolarHBondContact N-OE2 2.68Å; Q422-E908 VanDerWaalsContact N-OE2 3.08Å; Q422-E908 PolarHBondContact NE2-O 3.49Å | ||
| 423 | K | 83.4 | Confident | 79.1 | Confident | 107 Ų | 107 | 42 Ų | 42 | 47% | 0.465 | 24% | 0.238 | S | C | . | . | trans | -70.8 | 140.6 | 174 | -65.2 | 177.7 | -174.8 | 170.5 | 0 | 110.4 | N421 S902 V903 D906 | N421-K423 PolarHBondContact O-N 3.44Å; K423-S902 WeakPolarHBondContact CD-O 3.5Å; K423-V903 HydrophobicContact CB-CG2 3.97Å; K423-D906 PolarHBondContact N-OD2 3.02Å | ||
| 424 | R | 81.8 | Confident | 79.3 | Confident | 97 Ų | 97 | 41.9 Ų | 41.9 | 37% | 0.366 | 24% | 0.237 | S | C | . | . | trans | -137.7 | 152.9 | 178.2 | 73.3 | -179.1 | -174 | 169.9 | 2.1 | 112.4 | F413 L418 | F413-R424 HydrophobicContact CB-CB 4.48Å; F413-R424 HydrophobicContact CD2-CB 4.02Å; F413-R424 HydrophobicContact CE2-CB 4.39Å; F413-R424 HydrophobicContact CG-CB 4.1Å; L418-R424 HydrophobicContact CD2-CB 3.94Å; L418-R424 HydrophobicContact CD2-CG 4.49Å | ||
| 425 | I | 82.5 | Confident | 79.4 | Confident | 27 Ų | 27 | 42.9 Ų | 42.9 | 14% | 0.138 | 24% | 0.244 | C | C | . | . | trans | -105 | 111.2 | 171 | -55.6 | 173.7 | 0 | 0 | 0 | 107.6 | F413 L428 M900 V903 | F413-I425 HydrophobicContact CE2-CB 4.39Å; I425-L428 HydrophobicContact CB-CB 4.15Å; I425-L428 HydrophobicContact CG2-CB 4Å; I425-M900 HydrophobicContact CD1-CE 3.53Å; I425-M900 HydrophobicContact CD1-SD 4.01Å; I425-V903 HydrophobicContact CD1-CG2 4.27Å; I425-V903 HydrophobicContact CG1-CG2 3.92Å | ||
| 426 | Q | 76.2 | Confident | 79.6 | Confident | 53 Ų | 53 | 43.7 Ų | 43.7 | 25% | 0.248 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -44.1 | -175.7 | -175.3 | 172.2 | -5.8 | 0 | 0 | 112.4 | A391 L428 S432 | A391-Q426 HydrophobicContact CB-CG 4.47Å; Q426-L428 VanDerWaalsContact C-N 3.28Å; Q426-L428 PolarHBondContact O-N 3.18Å; Q426-S432 CarbonylContact O-C 3.57Å; Q426-S432 PolarHBondContact O-OG 2.95Å |
| 427 | D | 82.6 | Confident | 79.1 | Confident | 40 Ų | 40 | 45.6 Ų | 45.6 | 21% | 0.214 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 34.8 | -179.2 | -62.4 | -34.8 | 0 | 0 | 0 | 112.6 | N373 A391 | N373-D427 PolarHBondContact ND2-O 2.66Å; A391-D427 WeakPolarHBondContact CB-OD1 3.47Å; A391-D427 PolarHBondContact N-OD1 3.23Å |
| 428 | L | 83.4 | Confident | 78.2 | Confident | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -71.2 | -46 | -178.9 | -176.2 | 58.2 | 0 | 0 | 0 | 111.8 | N371 F413 I425 Q426 S432 M900 L917 | N371-L428 WeakPolarHBondContact CB-O 3.43Å; N371-L428 VanDerWaalsContact CG-O 3.25Å; N371-L428 PolarHBondContact ND2-O 2.85Å; F413-L428 HydrophobicContact CE2-CD2 3.75Å; F413-L428 HydrophobicContact CZ-CD2 3.99Å; I425-L428 HydrophobicContact CB-CB 4.15Å; I425-L428 HydrophobicContact CG2-CB 4Å; Q426-L428 VanDerWaalsContact C-N 3.28Å; Q426-L428 PolarHBondContact O-N 3.18Å; L428-S432 PolarHBondContact N-OG 3.06Å; L428-M900 HydrophobicContact CD1-CE 3.91Å; L428-L917 HydrophobicContact CD1-CD1 4.44Å; L428-L917 HydrophobicContact CD2-CD1 3.84Å |
| 429 | S | 87.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -157.1 | 165.3 | -177.2 | 48.2 | 0 | 0 | 0 | 0 | 111.3 | N371 N431 S432 M433 | N371-S429 CarbonylContact O-C 3.6Å; N371-S429 WeakPolarHBondContact O-CA 3.3Å; N371-S429 WeakPolarHBondContact O-CB 3.32Å; S429-N431 WeakPolarHBondContact CB-OD1 3.31Å; S429-N431 PolarHBondContact O-N 3.05Å; S429-N431 PolarHBondContact OG-OD1 3.23Å; S429-S432 PolarHBondContact N-OG 2.7Å; S429-S432 PolarHBondContact O-N 2.87Å; S429-S432 PolarHBondContact O-OG 3.37Å; S429-M433 VanDerWaalsContact O-CG 3.31Å; S429-M433 WeakPolarHBondContact O-CG 3.4Å; S429-M433 PolarHBondContact O-N 3.28Å; S429-M433 VanDerWaalsContact O-N 3.11Å | ||
| 430 | L | 86.3 | Confident | 76 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.7 | -38.3 | -178.5 | -172.2 | 63.1 | 0 | 0 | 0 | 112.1 | C302 R305 A307 N371 E372 L389 S432 M433 I434 | C302-L430 HydrophobicContact CB-CD2 3.97Å; R305-L430 HydrophobicContact CB-CD2 3.94Å; R305-L430 HydrophobicContact CB-CG 4.19Å; R305-L430 HydrophobicContact CG-CD2 4.36Å; R305-L430 HydrophobicContact CG-CG 4.09Å; A307-L430 HydrophobicContact CB-CD2 4.26Å; N371-L430 PolarHBondContact O-N 3.02Å; E372-L430 HydrophobicContact CB-CB 3.95Å; E372-L430 HydrophobicContact CB-CD2 4.22Å; L389-L430 HydrophobicContact CD2-CD1 4.11Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 2.69Å; L430-M433 PolarHBondContact O-N 2.9Å; L430-I434 HydrophobicContact CD1-CD1 3.74Å; L430-I434 HydrophobicContact CD1-CG1 4.39Å; L430-I434 PolarHBondContact O-N 3.33Å |
| 431 | N | 83.7 | Confident | 74.7 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 19% | 0.193 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.1 | -16.2 | 174.4 | 64.5 | -1.8 | 0 | 0 | 0 | 115.4 | Q304 R305 P410 S429 | Q304-N431 HydrophobicContact CB-CB 4.14Å; Q304-N431 VanDerWaalsContact OE1-N 3.16Å; Q304-N431 PolarHBondContact OE1-OD1 3.17Å; R305-N431 PolarHBondContact NH2-O 2.81Å; R305-N431 VanDerWaalsContact NH2-O 3.16Å; P410-N431 WeakPolarHBondContact CG-O 3.44Å; S429-N431 WeakPolarHBondContact CB-OD1 3.31Å; S429-N431 PolarHBondContact O-N 3.05Å; S429-N431 PolarHBondContact OG-OD1 3.23Å |
| 432 | S | 84.1 | Confident | 73.1 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -87.4 | -19.4 | 170.8 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | P410 Q426 L428 S429 L430 | P410-S432 WeakPolarHBondContact CD-O 3.47Å; P410-S432 WeakPolarHBondContact CG-O 3.34Å; Q426-S432 CarbonylContact O-C 3.57Å; Q426-S432 PolarHBondContact O-OG 2.95Å; L428-S432 PolarHBondContact N-OG 3.06Å; S429-S432 PolarHBondContact N-OG 2.7Å; S429-S432 PolarHBondContact O-N 2.87Å; S429-S432 PolarHBondContact O-OG 3.37Å; L430-S432 VanDerWaalsContact C-N 3.32Å; L430-S432 PolarHBondContact O-N 2.69Å |
| 433 | M | 85.1 | Confident | 71 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -88 | -39.7 | 179.3 | -64.3 | 170.3 | 79.6 | 0 | 0 | 112.5 | N373 L389 K390 A391 S429 L430 L455 | N373-M433 HydrophobicContact CB-SD 3.81Å; L389-M433 HydrophobicContact CB-CE 4.27Å; L389-M433 HydrophobicContact CD2-CE 3.94Å; L389-M433 HydrophobicContact CD2-SD 4.33Å; L389-M433 HydrophobicContact CG-CE 3.88Å; L389-M433 VanDerWaalsContact O-CE 3.24Å; L389-M433 WeakPolarHBondContact O-CE 3.4Å; K390-M433 VanDerWaalsContact C-CE 3.43Å; A391-M433 HydrophobicContact CB-CB 4.13Å; A391-M433 HydrophobicContact CB-CE 3.73Å; A391-M433 HydrophobicContact CB-CG 4.13Å; A391-M433 VanDerWaalsContact N-CE 3.25Å; S429-M433 VanDerWaalsContact O-CG 3.31Å; S429-M433 WeakPolarHBondContact O-CG 3.4Å; S429-M433 PolarHBondContact O-N 3.28Å; S429-M433 VanDerWaalsContact O-N 3.11Å; L430-M433 PolarHBondContact O-N 2.9Å; M433-L455 HydrophobicContact CE-CD2 3.79Å |
| 434 | I | 83.9 | Confident | 69.3 | Low | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -123.5 | 130.7 | -174.3 | -45.4 | 173.4 | 0 | 0 | 0 | 109.5 | R305 V321 L407 L430 L455 | R305-I434 PolarHBondContact NE-O 3.35Å; R305-I434 PolarHBondContact NH2-O 3.39Å; V321-I434 HydrophobicContact CG2-CD1 4.31Å; L407-I434 HydrophobicContact CB-CG2 4.46Å; L407-I434 HydrophobicContact CD1-CD1 4.43Å; L407-I434 HydrophobicContact CD1-CG2 4.47Å; L407-I434 HydrophobicContact CD2-CG2 3.99Å; L430-I434 HydrophobicContact CD1-CD1 3.74Å; L430-I434 HydrophobicContact CD1-CG1 4.39Å; L430-I434 PolarHBondContact O-N 3.33Å; I434-L455 HydrophobicContact CD1-CD1 3.64Å; I434-L455 HydrophobicContact CG1-CD1 4.27Å; I434-L455 HydrophobicContact CG1-CD2 4.35Å |
| 435 | S | 76.2 | Confident | 67.5 | Low | 32 Ų | 32 | 36 Ų | 36 | 22% | 0.224 | 23% | 0.226 | C | C | . | . | trans | -61.6 | 164.3 | 170.8 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | R305 Y408 | R305-S435 PolarHBondContact NE-O 3.04Å; Y408-S435 WeakPolarHBondContact O-CB 3.47Å; Y408-S435 PolarHBondContact O-N 2.97Å; Y408-S435 PolarHBondContact O-OG 3.33Å | ||
| 436 | Q | 70.8 | Confident | 65.5 | Low | 51 Ų | 51 | 41.6 Ų | 41.6 | 24% | 0.238 | 26% | 0.264 | C | S | . | . | trans | -58.7 | 142.8 | 170.4 | -76.2 | 171.6 | -0.5 | 0 | 0 | 110.6 | L438 H965 D967 | Q436-L438 PolarHBondContact O-N 2.99Å; Q436-H965 PolarHBondContact NE2-O 2.94Å; Q436-D967 VanDerWaalsContact CD-OD1 3.31Å; Q436-D967 WeakPolarHBondContact CG-OD1 3.28Å; Q436-D967 PolarHBondContact NE2-OD1 2.86Å | ||
| 437 | T | 62.6 | Low | 64 | Low | 47 Ų | 47 | 41.5 Ų | 41.5 | 29% | 0.288 | 27% | 0.27 | S | S | . | . | trans | -67.5 | 110.2 | 169.8 | -52.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 438 | L | 56.3 | Low | 62.4 | Low | 67 Ų | 67 | 45.4 Ų | 45.4 | 35% | 0.351 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 142.1 | 179.8 | -67.9 | 169.8 | 0 | 0 | 0 | 110.3 | S324 Q436 P444 | S324-L438 WeakPolarHBondContact CB-O 3.46Å; S324-L438 PolarHBondContact OG-O 3.26Å; Q436-L438 PolarHBondContact O-N 2.99Å; L438-P444 HydrophobicContact CD1-CB 3.96Å |
| 439 | I | 56.7 | Low | 61.1 | Low | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.056 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.3 | 172.8 | -62.8 | -175.6 | 0 | 0 | 0 | 108.8 | G441 E442 Y978 K981 F982 D985 | I439-G441 PolarHBondContact O-N 3.16Å; I439-E442 PolarHBondContact O-N 3.28Å; I439-Y978 HydrophobicContact CD1-CD2 3.68Å; I439-Y978 HydrophobicContact CD1-CE2 3.27Å; I439-Y978 HydrophobicContact CG1-CE2 3.9Å; I439-K981 HydrophobicContact CB-CD 4.5Å; I439-K981 HydrophobicContact CD1-CB 4.44Å; I439-K981 HydrophobicContact CD1-CD 4.26Å; I439-K981 HydrophobicContact CD1-CG 4.42Å; I439-K981 HydrophobicContact CG2-CD 3.92Å; I439-K981 HydrophobicContact CG2-CG 3.98Å; I439-F982 HydrophobicContact CD1-CB 4.24Å; I439-D985 WeakPolarHBondContact CG2-OD2 3.33Å |
| 440 | A | 44.6 | Very low | 59.9 | Low | 22 Ų | 22 | 53.6 Ų | 53.6 | 18% | 0.182 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 128.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | T325 | T325-A440 WeakPolarHBondContact O-CB 3.39Š|
| 441 | G | 41.4 | Very low | 59.3 | Low | 59 Ų | 59 | 58 Ų | 58 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.2 | -2.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | I439 | I439-G441 PolarHBondContact O-N 3.16Š|
| 442 | E | 43.2 | Very low | 59.1 | Low | 81 Ų | 81 | 59.3 Ų | 59.3 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -89 | 117.2 | 166.8 | -110.4 | 162.1 | -141 | 0 | 0 | 110.6 | I439 K981 | I439-E442 PolarHBondContact O-N 3.28Å; E442-K981 VanDerWaalsContact CD-NZ 3.31Å; E442-K981 IonicContact OE1-NZ 3.96Å; E442-K981 PolarHBondContact OE1-NZ 3.34Å |
| 443 | A | 38.3 | Very low | 59.1 | Low | 84 Ų | 84 | 58.7 Ų | 58.7 | 69% | 0.694 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 137 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 444 | P | 47.4 | Very low | 59.2 | Low | 57 Ų | 57 | 65.2 Ų | 65.2 | 37% | 0.37 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 136.3 | 171.2 | 22.2 | -31 | 0 | 0 | 0 | 108.3 | L438 | L438-P444 HydrophobicContact CD1-CB 3.96Š|
| 445 | P | 44.6 | Very low | 59.5 | Low | 53 Ų | 53 | 65.9 Ų | 65.9 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -54.4 | 132.4 | 179.4 | 21.8 | -31.8 | 0 | 0 | 0 | 108.3 | S447 | P445-S447 PolarHBondContact O-N 3.18Š|
| 446 | P | 40.2 | Very low | 60.2 | Low | 144 Ų | 144 | 70.1 Ų | 70.1 | 94% | 0.935 | 41% | 0.411 | S | S | * | . | trans | -70.1 | 76.4 | 177.4 | 29.4 | -33.3 | 0 | 0 | 0 | 108.6 | ||||
| 447 | S | 45.4 | Very low | 61.3 | Low | 52 Ų | 52 | 68.2 Ų | 68.2 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | trans | -110.6 | 126 | 175.1 | 61.1 | 0 | 0 | 0 | 0 | 108 | P445 N449 | P445-S447 PolarHBondContact O-N 3.18Å; S447-N449 PolarHBondContact O-N 3.48Å | ||
| 448 | S | 48.6 | Very low | 62.7 | Low | 122 Ų | 122 | 68.7 Ų | 68.7 | 85% | 0.853 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | 8.9 | -171.9 | 43.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 449 | N | 55.2 | Low | 64.5 | Low | 128 Ų | 128 | 69.8 Ų | 69.8 | 68% | 0.684 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.5 | 1.9 | -169.2 | -75.3 | -15.9 | 0 | 0 | 0 | 115.8 | S447 Q451 | S447-N449 PolarHBondContact O-N 3.48Å; N449-Q451 PolarHBondContact O-N 3.14Å |
| 450 | Q | 64.2 | Low | 66.1 | Low | 55 Ų | 55 | 72.9 Ų | 72.9 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -74 | 116.2 | 176.8 | -70.4 | -173.2 | -5 | 0 | 0 | 110.8 | Y408 V411 | Y408-Q450 HydrophobicContact CD1-CB 4.05Å; V411-Q450 HydrophobicContact CG1-CG 4.39Å |
| 451 | Q | 73.7 | Confident | 68.2 | Low | 93 Ų | 93 | 72.4 Ų | 72.4 | 44% | 0.435 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -95.1 | 133.4 | 176 | -64.8 | -179.2 | -2 | 0 | 0 | 109.6 | T393 Y408 S409 N449 | T393-Q451 HydrophobicContact CG2-CB 3.74Å; T393-Q451 VanDerWaalsContact CG2-OE1 3.31Å; T393-Q451 PolarHBondContact OG1-OE1 3.12Å; Y408-Q451 WeakPolarHBondContact CA-O 3.36Å; S409-Q451 PolarHBondContact N-O 3.44Å; N449-Q451 PolarHBondContact O-N 3.14Å |
| 452 | E | 79.2 | Confident | 70.5 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 136.7 | 171.2 | -167.3 | -178.7 | 177.7 | 0 | 0 | 109.6 | S396 P406 L407 | S396-E452 PolarHBondContact OG-OE2 3Å; P406-E452 HydrophobicContact CB-CG 4.29Å; L407-E452 CarbonylContact O-C 3.56Å; L407-E452 VanDerWaalsContact O-CA 3.32Å; L407-E452 WeakPolarHBondContact O-CA 3.47Å |
| 453 | V | 83.5 | Confident | 72.5 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 4% | 0.036 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.3 | -175.3 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | A391 T393 L407 L455 | A391-V453 HydrophobicContact CB-CG1 3.56Å; T393-V453 HydrophobicContact CG2-CG2 3.93Å; L407-V453 PolarHBondContact O-N 3.49Å; V453-L455 HydrophobicContact CG1-CD2 3.93Å |
| 454 | Q | 86.4 | Confident | 74.6 | Confident | 138 Ų | 138 | 69 Ų | 69 | 65% | 0.645 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.3 | 167.2 | -65.6 | -176.2 | -3.6 | 0 | 0 | 110.3 | H392 | H392-Q454 PolarHBondContact N-O 2.77Å; H392-Q454 PolarHBondContact O-N 3.41Å |
| 455 | L | 90.3 | Very high | 76 | Confident | 17 Ų | 17 | 67 Ų | 67 | 9% | 0.089 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.3 | -176.8 | -59 | 173.1 | 0 | 0 | 0 | 110.2 | L319 R348 S349 L389 A391 L407 M433 I434 V453 | L319-L455 HydrophobicContact CD2-CD1 3.8Å; R348-L455 HydrophobicContact CB-CD1 4.21Å; S349-L455 PolarHBondContact OG-O 2.86Å; L389-L455 HydrophobicContact CD1-CB 4.12Å; L389-L455 HydrophobicContact CD2-CD1 4.4Å; L389-L455 HydrophobicContact CD2-CD2 4.25Å; L389-L455 HydrophobicContact CG-CB 4.48Å; A391-L455 HydrophobicContact CB-CD2 4.33Å; L407-L455 HydrophobicContact CD1-CD1 3.99Å; L407-L455 HydrophobicContact CD1-CG 4.5Å; M433-L455 HydrophobicContact CE-CD2 3.79Å; I434-L455 HydrophobicContact CD1-CD1 3.64Å; I434-L455 HydrophobicContact CG1-CD1 4.27Å; I434-L455 HydrophobicContact CG1-CD2 4.35Å; V453-L455 HydrophobicContact CG1-CD2 3.93Å |
| 456 | K | 91.8 | Very high | 77.9 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 139.2 | 177.4 | -173.4 | 175 | 178.8 | -179.8 | 0 | 111.2 | K390 | K390-K456 PolarHBondContact N-O 3.31Å; K390-K456 PolarHBondContact O-N 2.88Å |
| 457 | F | 93.3 | Very high | 79.8 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 5% | 0.053 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 136.6 | 169.7 | -76.9 | -70.1 | 0 | 0 | 0 | 111.4 | Y309 I317 L319 S349 C351 W387 L389 | Y309-F457 HydrophobicContact CD1-CZ 4.06Å; Y309-F457 AromaticContact CE1-CE1 3.81Å; Y309-F457 HydrophobicContact CE1-CE1 3.81Å; Y309-F457 AromaticContact CE1-CZ 3.62Å; Y309-F457 HydrophobicContact CE1-CZ 3.62Å; I317-F457 HydrophobicContact CG2-CE2 4.5Å; I317-F457 HydrophobicContact CG2-CZ 4.01Å; L319-F457 HydrophobicContact CB-CE2 4.17Å; L319-F457 HydrophobicContact CB-CZ 4.1Å; S349-F457 WeakPolarHBondContact OG-CD2 3.4Å; S349-F457 PolarHBondContact OG-N 3.41Å; C351-F457 HydrophobicContact CB-CB 3.92Å; C351-F457 HydrophobicContact CB-CD2 4.01Å; C351-F457 HydrophobicContact CB-CG 4Å; W387-F457 HydrophobicContact CB-CD1 4.18Å; W387-F457 HydrophobicContact CE3-CB 4.07Å; L389-F457 HydrophobicContact CB-CE1 4.41Å; L389-F457 HydrophobicContact CD1-CD1 4.03Å; L389-F457 HydrophobicContact CD1-CD2 4.36Å; L389-F457 HydrophobicContact CD1-CE1 3.88Å; L389-F457 HydrophobicContact CD1-CE2 4.22Å; L389-F457 HydrophobicContact CD1-CG 4.28Å; L389-F457 HydrophobicContact CD1-CZ 3.98Å |
| 458 | L | 93.5 | Very high | 81.4 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 30% | 0.298 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.4 | 172.8 | -63.8 | 176.3 | 0 | 0 | 0 | 109.5 | W387 E388 K390 T460 | W387-L458 CarbonylContact C-O 3.6Å; W387-L458 WeakPolarHBondContact CA-O 3.24Å; E388-L458 PolarHBondContact N-O 3.49Å; E388-L458 PolarHBondContact O-N 3.13Å; K390-L458 HydrophobicContact CB-CD1 4.24Å; K390-L458 HydrophobicContact CD-CD1 3.47Å; K390-L458 VanDerWaalsContact CD-CD1 3.47Å; K390-L458 HydrophobicContact CG-CD1 3.77Å; L458-T460 PolarHBondContact O-N 2.92Å |
| 459 | L | 93.1 | Very high | 82.8 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 112.9 | 170.6 | -174.8 | 71.1 | 0 | 0 | 0 | 108.1 | M385 W387 | M385-L459 HydrophobicContact CB-CD1 3.94Å; W387-L459 HydrophobicContact CD2-CD1 4.08Å; W387-L459 HydrophobicContact CE3-CB 3.97Å; W387-L459 HydrophobicContact CE3-CD1 4.36Å; W387-L459 HydrophobicContact CH2-CB 4.08Å; W387-L459 HydrophobicContact CH2-CD1 4.26Å; W387-L459 HydrophobicContact CZ2-CD1 3.97Å; W387-L459 HydrophobicContact CZ3-CB 3.72Å; W387-L459 HydrophobicContact CZ3-CD1 4.45Å |
| 460 | T | 91.3 | Very high | 83.8 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -23.4 | -175.6 | 50.1 | 0 | 0 | 0 | 0 | 113.1 | L386 E388 L458 | L386-T460 PolarHBondContact O-N 3.25Å; L386-T460 PolarHBondContact O-OG1 3.27Å; E388-T460 HydrophobicContact CB-CG2 3.56Å; L458-T460 PolarHBondContact O-N 2.92Å |
| 461 | G | 87.8 | Confident | 84.7 | Confident | 11 Ų | 11 | 50.7 Ų | 50.7 | 11% | 0.113 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 151.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L386 | L386-G461 PolarHBondContact N-O 2.99Å; L386-G461 PolarHBondContact O-N 3.49Å |
| 462 | L | 88.9 | Confident | 85.4 | Confident | 84 Ų | 84 | 46.7 Ų | 46.7 | 44% | 0.44 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 114.7 | 176.8 | 177.9 | 67.9 | 0 | 0 | 0 | 109 | R383 V384 M385 | R383-L462 HydrophobicContact CB-CD1 4.41Å; V384-L462 WeakPolarHBondContact O-CA 3.49Å; M385-L462 HydrophobicContact CE-CD1 4.43Å; M385-L462 HydrophobicContact CG-CD1 3.8Å |
| 463 | L | 86.4 | Confident | 86.1 | Confident | 21 Ų | 21 | 43.8 Ų | 43.8 | 11% | 0.11 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130.2 | 166.4 | -75.1 | 164.5 | 0 | 0 | 0 | 108.8 | M46 A51 R383 V384 L509 | M46-L463 HydrophobicContact CB-CD1 4.24Å; M46-L463 HydrophobicContact CG-CD1 3.96Å; M46-L463 HydrophobicContact SD-CD1 3.42Å; M46-L463 WeakPolarHBondContact SD-CD1 3.38Å; A51-L463 HydrophobicContact CB-CG 4.37Å; A51-L463 WeakPolarHBondContact O-CD2 3.39Å; R383-L463 WeakPolarHBondContact CA-O 3.42Å; V384-L463 HydrophobicContact CB-CB 4.08Å; V384-L463 HydrophobicContact CB-CD1 4.39Å; V384-L463 PolarHBondContact N-O 3.09Å; V384-L463 PolarHBondContact O-N 2.92Å; L463-L509 HydrophobicContact CD2-CD2 4.35Å |
| 464 | S | 81.3 | Confident | 86.6 | Confident | 48 Ų | 48 | 45 Ų | 45 | 34% | 0.336 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -102.4 | 121.5 | -179.8 | -66 | 0 | 0 | 0 | 0 | 111.3 | ||
| 465 | G | 78.4 | Confident | 87 | Confident | 15 Ų | 15 | 39 Ų | 39 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -81.1 | 157.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T16 | T16-G465 WeakPolarHBondContact O-CA 3.36Š|
| 466 | L | 83.8 | Confident | 87 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 140.1 | 167 | -73.4 | 162.7 | 0 | 0 | 0 | 111.5 | L15 T16 G17 T18 F471 A493 L501 Y503 G818 V820 | L15-L466 HydrophobicContact CB-CD1 3.99Å; T16-L466 PolarHBondContact O-N 3.38Å; G17-L466 CarbonylContact C-O 3.59Å; G17-L466 WeakPolarHBondContact CA-O 3.37Å; T18-L466 PolarHBondContact N-O 2.98Å; T18-L466 PolarHBondContact OG1-O 3.35Å; L466-F471 HydrophobicContact CB-CE1 4.39Å; L466-F471 HydrophobicContact CB-CZ 4.04Å; L466-A493 HydrophobicContact CD2-CB 4.48Å; L466-L501 HydrophobicContact CD2-CD1 4.07Å; L466-Y503 HydrophobicContact CD2-CD2 4.42Å; L466-Y503 HydrophobicContact CD2-CE2 3.43Å; L466-Y503 VanDerWaalsContact CD2-CE2 3.43Å; L466-Y503 WeakPolarHBondContact CD2-OH 3.19Å; L466-Y503 HydrophobicContact CG-CE2 4.25Å; L466-G818 WeakPolarHBondContact CB-O 3.21Å; L466-V820 HydrophobicContact CD1-CB 3.84Å; L466-V820 HydrophobicContact CD1-CG2 3.56Å |
| 467 | P | 79.4 | Confident | 86.9 | Confident | 31 Ų | 31 | 34.1 Ų | 34.1 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | trans | -71.2 | 179.9 | 178.2 | 29.1 | -32.9 | 0 | 0 | 0 | 111.6 | F471 T495 L501 | P467-F471 HydrophobicContact CG-CE1 4.23Å; P467-F471 WeakPolarHBondContact O-CE1 3.22Å; P467-F471 WeakPolarHBondContact O-CZ 3.3Å; P467-T495 HydrophobicContact CG-CG2 3.39Å; P467-L501 HydrophobicContact CG-CD1 4.03Å | ||
| 468 | L | 78.8 | Confident | 86.6 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 45% | 0.445 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -65.9 | 138.4 | 178.2 | -74.7 | 167.6 | 0 | 0 | 0 | 112 | T18 T359 S496 | T18-L468 HydrophobicContact CG2-CD1 4.45Å; T18-L468 HydrophobicContact CG2-CD2 3.68Å; T18-L468 HydrophobicContact CG2-CG 3.89Å; T18-L468 PolarHBondContact OG1-N 3.34Å; T359-L468 HydrophobicContact CG2-CD1 4.19Å; L468-S496 PolarHBondContact O-OG 2.94Å; L468-S496 VanDerWaalsContact O-OG 3.11Å |
| 469 | P | 79.2 | Confident | 86.2 | Confident | 34 Ų | 34 | 37.3 Ų | 37.3 | 22% | 0.221 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -62.6 | 163.9 | 175.8 | 23.2 | -28.8 | 0 | 0 | 0 | 111.8 | F471 L801 D816 | P469-F471 HydrophobicContact CB-CD2 4.05Å; P469-F471 HydrophobicContact CB-CE2 3.87Å; P469-F471 HydrophobicContact CB-CZ 4.24Å; P469-F471 HydrophobicContact CG-CE2 4.46Å; P469-L801 HydrophobicContact CB-CD1 3.42Å; P469-L801 VanDerWaalsContact CB-CD1 3.42Å; P469-L801 HydrophobicContact CG-CD1 4.31Å; P469-D816 WeakPolarHBondContact CG-O 3.21Å |
| 470 | P | 75.8 | Confident | 85.7 | Confident | 49 Ų | 49 | 36.2 Ų | 36.2 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | cis | -76.4 | 154.7 | 13.1 | 30.4 | -37.3 | 0 | 0 | 0 | 115.1 | E520 | P470-E520 HydrophobicContact CG-CG 4.19Å; P470-E520 WeakPolarHBondContact CG-OE1 3.29Å |
| 471 | F | 82.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 39 Ų | 39 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | trans | -121 | 140.7 | 171.1 | -47.3 | -66.5 | 0 | 0 | 0 | 111.1 | L466 P467 P469 I473 G494 A814 | L466-F471 HydrophobicContact CB-CE1 4.39Å; L466-F471 HydrophobicContact CB-CZ 4.04Å; P467-F471 HydrophobicContact CG-CE1 4.23Å; P467-F471 WeakPolarHBondContact O-CE1 3.22Å; P467-F471 WeakPolarHBondContact O-CZ 3.3Å; P469-F471 HydrophobicContact CB-CD2 4.05Å; P469-F471 HydrophobicContact CB-CE2 3.87Å; P469-F471 HydrophobicContact CB-CZ 4.24Å; P469-F471 HydrophobicContact CG-CE2 4.46Å; F471-I473 HydrophobicContact CB-CG2 4.32Å; F471-G494 VanDerWaalsContact CA-O 3.29Å; F471-G494 WeakPolarHBondContact CA-O 3.32Å; F471-A814 HydrophobicContact CB-CB 4.37Å; F471-A814 HydrophobicContact CD2-CB 4.26Å | ||
| 472 | A | 89.5 | Confident | 84.9 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | A493 G494 L524 | A472-A493 CarbonylContact O-C 3.59Å; A472-A493 WeakPolarHBondContact O-CA 3.48Å; A472-G494 PolarHBondContact N-O 3.15Å; A472-G494 PolarHBondContact O-N 3.26Å; A472-L524 HydrophobicContact CB-CD1 4.47Å; A472-L524 WeakPolarHBondContact O-CD1 3.32Å |
| 473 | I | 94.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 143.6 | 179.6 | 63.7 | 167.1 | 0 | 0 | 0 | 111.6 | F471 L491 A492 A493 D802 V812 A814 V820 | F471-I473 HydrophobicContact CB-CG2 4.32Å; I473-L491 HydrophobicContact CB-CD1 4.33Å; I473-A492 WeakPolarHBondContact CA-O 3.06Å; I473-A493 HydrophobicContact CG2-CB 4.22Å; I473-D802 HydrophobicContact CG1-CB 3.97Å; I473-D802 WeakPolarHBondContact CG1-OD2 3.49Å; I473-D802 PolarHBondContact N-OD2 3.34Å; I473-V812 HydrophobicContact CD1-CB 4.24Å; I473-V812 HydrophobicContact CD1-CG1 3.8Å; I473-A814 HydrophobicContact CD1-CB 4.02Å; I473-A814 HydrophobicContact CG1-CB 4.3Å; I473-A814 HydrophobicContact CG2-CB 3.88Å; I473-V820 HydrophobicContact CG2-CG2 4.4Å |
| 474 | R | 94.1 | Very high | 84.5 | Confident | 33 Ų | 33 | 46.8 Ų | 46.8 | 13% | 0.125 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 122.7 | 174.3 | -159.6 | 74.1 | 174.2 | 124.5 | -0.5 | 112 | A492 L524 E525 W526 R758 D804 | R474-A492 PolarHBondContact N-O 3.47Å; R474-A492 PolarHBondContact O-N 2.92Å; R474-L524 HydrophobicContact CB-CB 3.8Å; R474-L524 VanDerWaalsContact CD-O 3.32Å; R474-L524 WeakPolarHBondContact CD-O 3.35Å; R474-L524 WeakPolarHBondContact CG-O 3.38Å; R474-E525 IonicContact CZ-OE1 3.27Å; R474-E525 IonicContact CZ-OE2 3.36Å; R474-E525 VanDerWaalsContact CZ-OE2 3.28Å; R474-E525 VanDerWaalsContact NE-CD 3.27Å; R474-E525 IonicContact NE-OE1 2.84Å; R474-E525 PolarHBondContact NE-OE1 3.14Å; R474-E525 IonicContact NE-OE2 2.81Å; R474-E525 PolarHBondContact NE-OE2 3.28Å; R474-E525 IonicContact NH2-OE1 3.77Å; R474-E525 PolarHBondContact NH2-OE1 2.99Å; R474-E525 IonicContact NH2-OE2 2.88Å; R474-E525 PolarHBondContact NH2-OE2 2.87Å; R474-W526 PolarHBondContact O-NE1 3.19Å; R474-R758 VanDerWaalsContact CZ-CZ 3.5Å; R474-R758 VanDerWaalsContact NH2-CZ 3.26Å; R474-R758 VanDerWaalsContact NH2-NH2 3.17Å; R474-D804 IonicContact CZ-OD2 3.88Å; R474-D804 IonicContact NH1-OD1 2.82Å; R474-D804 PolarHBondContact NH1-OD1 3.4Å; R474-D804 IonicContact NH1-OD2 3.19Å; R474-D804 PolarHBondContact NH1-OD2 2.61Å |
| 475 | M | 93.6 | Very high | 84.5 | Confident | 12 Ų | 12 | 48.6 Ų | 48.6 | 6% | 0.059 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 143.9 | 173.7 | -167.5 | 62.7 | -175 | 0 | 0 | 110.7 | P489 L490 L491 L505 W526 D804 W805 C806 | M475-P489 VanDerWaalsContact CE-CA 3.46Å; M475-P489 HydrophobicContact CE-CB 3.57Å; M475-L490 VanDerWaalsContact SD-O 3.38Å; M475-L491 HydrophobicContact SD-CB 4.34Å; M475-L491 HydrophobicContact SD-CD1 4.28Å; M475-L505 HydrophobicContact CE-CD1 4.15Å; M475-L505 HydrophobicContact SD-CD1 3.82Å; M475-W526 PolarHBondContact O-NE1 2.67Å; M475-D804 PolarHBondContact N-OD2 2.69Å; M475-W805 VanDerWaalsContact CB-O 3.27Å; M475-W805 WeakPolarHBondContact CB-O 3.36Å; M475-W805 WeakPolarHBondContact CG-O 3.3Å; M475-C806 WeakPolarHBondContact CE-SG 3.46Å |
| 476 | C | 91.1 | Very high | 84.7 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 158.3 | 171.7 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | Q488 L490 W526 | C476-Q488 PolarHBondContact SG-O 3.46Å; C476-L490 HydrophobicContact CB-CB 4.26Å; C476-L490 VanDerWaalsContact CB-O 3.31Å; C476-L490 WeakPolarHBondContact CB-O 3.46Å; C476-L490 PolarHBondContact N-O 3.04Å; C476-L490 PolarHBondContact SG-N 2.66Å; C476-L490 VanDerWaalsContact SG-N 3.43Å; C476-L490 PolarHBondContact SG-O 3.01Å; C476-W526 HydrophobicContact CB-CD2 4.18Å; C476-W526 HydrophobicContact CB-CE3 4.42Å; C476-W526 HydrophobicContact CB-CH2 4.18Å; C476-W526 HydrophobicContact CB-CZ2 3.98Å; C476-W526 HydrophobicContact CB-CZ3 4.41Å |
| 477 | P | 89.5 | Confident | 84.9 | Confident | 29 Ų | 29 | 56.1 Ų | 56.1 | 19% | 0.188 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -54.6 | 136.2 | 178.9 | -25.3 | 33.9 | 0 | 0 | 0 | 111.5 | Y487 W526 S528 L529 | P477-Y487 WeakPolarHBondContact O-CE2 3.24Å; P477-W526 HydrophobicContact CG-CB 3.87Å; P477-S528 WeakPolarHBondContact CD-O 3.33Å; P477-S528 WeakPolarHBondContact CG-O 3.39Å; P477-L529 HydrophobicContact CB-CD2 4.1Å; P477-L529 HydrophobicContact CG-CD2 4.32Å; P477-L529 WeakPolarHBondContact O-CD2 3.32Å |
| 478 | P | 86.5 | Confident | 85.3 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 41% | 0.409 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 160.4 | -166.5 | 26.3 | -36 | 0 | 0 | 0 | 113.9 | T480 N483 P761 | P478-T480 PolarHBondContact O-N 3.46Å; P478-N483 PolarHBondContact O-ND2 3.11Å; P478-P761 HydrophobicContact CB-CB 3.58Å; P478-P761 HydrophobicContact CB-CG 4.41Å; P478-P761 HydrophobicContact CG-CB 4Å |
| 479 | L | 85.3 | Confident | 85.7 | Confident | 74 Ų | 74 | 55.4 Ų | 55.4 | 39% | 0.387 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 133.2 | 173 | -180 | 64.4 | 0 | 0 | 0 | 111.3 | I484 Y487 | L479-I484 HydrophobicContact CD1-CB 4.06Å; L479-I484 HydrophobicContact CD1-CG1 4.1Å; L479-Y487 HydrophobicContact CB-CD1 4.08Å; L479-Y487 HydrophobicContact CB-CD2 4.19Å; L479-Y487 HydrophobicContact CB-CE1 4.01Å; L479-Y487 HydrophobicContact CB-CE2 4.14Å; L479-Y487 HydrophobicContact CB-CG 4.16Å; L479-Y487 HydrophobicContact CD1-CD1 3.87Å; L479-Y487 HydrophobicContact CD1-CD2 4.38Å; L479-Y487 HydrophobicContact CD1-CG 3.71Å; L479-Y487 HydrophobicContact CG-CD1 4.44Å |
| 480 | T | 82.9 | Confident | 86.4 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | trans | -137.8 | 164.7 | 177.2 | 69.7 | 0 | 0 | 0 | 0 | 110 | P478 K482 N483 I484 | P478-T480 PolarHBondContact O-N 3.46Å; T480-K482 PolarHBondContact O-N 3.34Å; T480-K482 VanDerWaalsContact O-N 3.09Å; T480-K482 PolarHBondContact OG1-N 3.02Å; T480-N483 WeakPolarHBondContact CA-OD1 3.48Å; T480-N483 PolarHBondContact N-OD1 3.45Å; T480-N483 PolarHBondContact O-N 3.3Å; T480-N483 PolarHBondContact O-OD1 2.88Å; T480-N483 VanDerWaalsContact OG1-CG 3.26Å; T480-N483 PolarHBondContact OG1-N 3.27Å; T480-N483 PolarHBondContact OG1-OD1 2.85Å; T480-I484 PolarHBondContact O-N 3Å | ||
| 481 | T | 81.6 | Confident | 87.2 | Confident | 136 Ų | 136 | 51.9 Ų | 51.9 | 83% | 0.834 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.2 | 174.4 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 482 | K | 80.1 | Confident | 87.8 | Confident | 193 Ų | 193 | 51.4 Ų | 51.4 | 84% | 0.839 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -25.5 | -178.7 | -66.7 | -174.8 | 178.4 | -178.1 | 0 | 113.8 | T480 | T480-K482 PolarHBondContact O-N 3.34Å; T480-K482 VanDerWaalsContact O-N 3.09Å; T480-K482 PolarHBondContact OG1-N 3.02Å |
| 483 | N | 83.6 | Confident | 88 | Confident | 25 Ų | 25 | 51 Ų | 51 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | 5.7 | -173.1 | 68.4 | -1.6 | 0 | 0 | 0 | 113.9 | P478 T480 S485 H486 Y487 L529 | P478-N483 PolarHBondContact O-ND2 3.11Å; T480-N483 WeakPolarHBondContact CA-OD1 3.48Å; T480-N483 PolarHBondContact N-OD1 3.45Å; T480-N483 PolarHBondContact O-N 3.3Å; T480-N483 PolarHBondContact O-OD1 2.88Å; T480-N483 VanDerWaalsContact OG1-CG 3.26Å; T480-N483 PolarHBondContact OG1-N 3.27Å; T480-N483 PolarHBondContact OG1-OD1 2.85Å; N483-S485 PolarHBondContact O-N 3.19Å; N483-S485 VanDerWaalsContact O-N 3.11Å; N483-H486 PolarHBondContact O-N 2.91Å; N483-Y487 WeakPolarHBondContact O-CB 3.47Å; N483-Y487 PolarHBondContact O-N 3.24Å; N483-L529 HydrophobicContact CB-CD1 3.7Å |
| 484 | I | 82.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 50.9 Ų | 50.9 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -31 | -177.3 | -168.3 | 163.1 | 0 | 0 | 0 | 114.3 | V6 L479 T480 H486 | V6-I484 HydrophobicContact CB-CD1 4.46Å; V6-I484 HydrophobicContact CB-CG1 4.07Å; V6-I484 HydrophobicContact CG2-CD1 4.49Å; V6-I484 HydrophobicContact CG2-CG1 3.96Å; L479-I484 HydrophobicContact CD1-CB 4.06Å; L479-I484 HydrophobicContact CD1-CG1 4.1Å; T480-I484 PolarHBondContact O-N 3Å; I484-H486 VanDerWaalsContact C-N 3.34Å; I484-H486 PolarHBondContact O-N 3.34Å |
| 485 | S | 82.3 | Confident | 87.7 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -20.4 | 179.9 | 56 | 0 | 0 | 0 | 0 | 114.4 | N483 | N483-S485 PolarHBondContact O-N 3.19Å; N483-S485 VanDerWaalsContact O-N 3.11Å |
| 486 | H | 83.2 | Confident | 87.4 | Confident | 154 Ų | 154 | 51 Ų | 51 | 71% | 0.713 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -3 | -174.6 | -58.7 | -68.3 | 0 | 0 | 0 | 113.3 | N483 I484 | N483-H486 PolarHBondContact O-N 2.91Å; I484-H486 VanDerWaalsContact C-N 3.34Å; I484-H486 PolarHBondContact O-N 3.34Å |
| 487 | Y | 86.9 | Confident | 87.1 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | trans | -71.1 | 133 | -175.6 | 178.2 | -90.1 | 0 | 0 | 0 | 111.3 | I8 P477 L479 N483 P489 L529 | I8-Y487 HydrophobicContact CD1-CD1 3.52Å; I8-Y487 HydrophobicContact CD1-CE1 4.19Å; P477-Y487 WeakPolarHBondContact O-CE2 3.24Å; L479-Y487 HydrophobicContact CB-CD1 4.08Å; L479-Y487 HydrophobicContact CB-CD2 4.19Å; L479-Y487 HydrophobicContact CB-CE1 4.01Å; L479-Y487 HydrophobicContact CB-CE2 4.14Å; L479-Y487 HydrophobicContact CB-CG 4.16Å; L479-Y487 HydrophobicContact CD1-CD1 3.87Å; L479-Y487 HydrophobicContact CD1-CD2 4.38Å; L479-Y487 HydrophobicContact CD1-CG 3.71Å; L479-Y487 HydrophobicContact CG-CD1 4.44Å; N483-Y487 WeakPolarHBondContact O-CB 3.47Å; N483-Y487 PolarHBondContact O-N 3.24Å; Y487-P489 HydrophobicContact CE1-CB 4.19Å; Y487-L529 HydrophobicContact CD2-CD2 4.08Å | ||
| 488 | Q | 87 | Confident | 87 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 45% | 0.449 | 29% | 0.29 | S | S | . | . | trans | -131 | 137.3 | 169 | -66.4 | -176.9 | -14.9 | 0 | 0 | 108 | C476 L490 | C476-Q488 PolarHBondContact SG-O 3.46Å; Q488-L490 HydrophobicContact CB-CD2 4.24Å; Q488-L490 HydrophobicContact CB-CG 4.03Å; Q488-L490 PolarHBondContact O-N 3.15Å | ||
| 489 | P | 89.2 | Confident | 87.3 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | trans | -76.6 | 76.7 | -179.8 | 30.5 | -32 | 0 | 0 | 0 | 110.6 | I8 L10 M475 Y487 L505 T506 | I8-P489 HydrophobicContact CG2-CG 4.07Å; L10-P489 HydrophobicContact CD1-CB 4.33Å; L10-P489 HydrophobicContact CD1-CG 4.25Å; M475-P489 VanDerWaalsContact CE-CA 3.46Å; M475-P489 HydrophobicContact CE-CB 3.57Å; Y487-P489 HydrophobicContact CE1-CB 4.19Å; P489-L505 PolarHBondContact O-N 3.39Å; P489-T506 WeakPolarHBondContact CG-OG1 2.96Å | ||
| 490 | L | 92.8 | Very high | 87.6 | Confident | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.6 | 179.8 | -59.1 | 179.8 | 0 | 0 | 0 | 111.1 | M475 C476 Q488 V502 Y503 N504 W526 L555 | M475-L490 VanDerWaalsContact SD-O 3.38Å; C476-L490 HydrophobicContact CB-CB 4.26Å; C476-L490 VanDerWaalsContact CB-O 3.31Å; C476-L490 WeakPolarHBondContact CB-O 3.46Å; C476-L490 PolarHBondContact N-O 3.04Å; C476-L490 PolarHBondContact SG-N 2.66Å; C476-L490 VanDerWaalsContact SG-N 3.43Å; C476-L490 PolarHBondContact SG-O 3.01Å; Q488-L490 HydrophobicContact CB-CD2 4.24Å; Q488-L490 HydrophobicContact CB-CG 4.03Å; Q488-L490 PolarHBondContact O-N 3.15Å; L490-V502 HydrophobicContact CB-CG1 4.15Å; L490-V502 HydrophobicContact CD1-CG1 4.47Å; L490-V502 HydrophobicContact CD2-CG1 4.44Å; L490-Y503 CarbonylContact C-O 3.38Å; L490-Y503 WeakPolarHBondContact CA-O 3.28Å; L490-N504 HydrophobicContact CD2-CB 4.07Å; L490-W526 HydrophobicContact CB-CH2 4.12Å; L490-W526 HydrophobicContact CB-CZ2 4.38Å; L490-W526 HydrophobicContact CD1-CH2 4.48Å; L490-L555 HydrophobicContact CD1-CD1 4.24Å |
| 491 | L | 93.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 123.8 | 172.5 | -178.7 | 72.6 | 0 | 0 | 0 | 109.5 | I473 M475 V502 Y503 L505 V812 V820 | I473-L491 HydrophobicContact CB-CD1 4.33Å; M475-L491 HydrophobicContact SD-CB 4.34Å; M475-L491 HydrophobicContact SD-CD1 4.28Å; L491-V502 CarbonylContact O-C 3.59Å; L491-V502 VanDerWaalsContact O-CA 3.3Å; L491-V502 WeakPolarHBondContact O-CA 3.2Å; L491-Y503 PolarHBondContact N-O 3.5Å; L491-Y503 PolarHBondContact O-N 3.4Å; L491-L505 HydrophobicContact CB-CD1 3.85Å; L491-L505 HydrophobicContact CB-CD2 3.95Å; L491-L505 HydrophobicContact CB-CG 3.86Å; L491-L505 HydrophobicContact CD2-CD1 4.4Å; L491-L505 HydrophobicContact CD2-CD2 4.01Å; L491-V812 HydrophobicContact CD1-CG1 4.3Å; L491-V812 HydrophobicContact CD2-CG1 3.95Å; L491-V820 HydrophobicContact CD2-CG1 3.71Å |
| 492 | A | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I473 R474 V500 L501 V502 L524 W526 | I473-A492 WeakPolarHBondContact CA-O 3.06Å; R474-A492 PolarHBondContact N-O 3.47Å; R474-A492 PolarHBondContact O-N 2.92Å; A492-V500 HydrophobicContact CB-CG1 4.17Å; A492-L501 CarbonylContact C-O 3.59Å; A492-V502 HydrophobicContact CB-CG2 4.41Å; A492-L524 HydrophobicContact CB-CD1 4.2Å; A492-W526 HydrophobicContact CB-CZ2 3.83Å |
| 493 | A | 93.4 | Very high | 89.1 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 112.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L466 A472 I473 V500 L501 | L466-A493 HydrophobicContact CD2-CB 4.48Å; A472-A493 CarbonylContact O-C 3.59Å; A472-A493 WeakPolarHBondContact O-CA 3.48Å; I473-A493 HydrophobicContact CG2-CB 4.22Å; A493-V500 WeakPolarHBondContact O-CA 3.31Å; A493-L501 PolarHBondContact N-O 3.2Å; A493-L501 PolarHBondContact O-N 3.11Å |
| 494 | G | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 138.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F471 A472 | F471-G494 VanDerWaalsContact CA-O 3.29Å; F471-G494 WeakPolarHBondContact CA-O 3.32Å; A472-G494 PolarHBondContact N-O 3.15Å; A472-G494 PolarHBondContact O-N 3.26Å |
| 495 | T | 89.4 | Confident | 89.5 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | trans | -111.3 | 164.7 | -171.7 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | P467 N497 G498 S499 L501 V521 | P467-T495 HydrophobicContact CG-CG2 3.39Å; T495-N497 PolarHBondContact O-N 3.11Å; T495-N497 PolarHBondContact OG1-OD1 3.43Å; T495-G498 PolarHBondContact O-N 3.23Å; T495-S499 PolarHBondContact N-O 3.01Å; T495-S499 WeakPolarHBondContact OG1-CA 3.38Å; T495-S499 PolarHBondContact OG1-N 3.03Å; T495-S499 PolarHBondContact OG1-O 2.97Å; T495-L501 HydrophobicContact CG2-CD1 3.87Å; T495-L501 HydrophobicContact CG2-CG 3.92Å; T495-V521 PolarHBondContact O-N 3.32Å; T495-V521 VanDerWaalsContact O-N 3.09Å | ||
| 496 | S | 86.8 | Confident | 89.4 | Confident | 48 Ų | 48 | 24.9 Ų | 24.9 | 34% | 0.336 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.6 | 174.6 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | L468 | L468-S496 PolarHBondContact O-OG 2.94Å; L468-S496 VanDerWaalsContact O-OG 3.11Å |
| 497 | N | 85.1 | Confident | 89.2 | Confident | 92 Ų | 92 | 18.8 Ų | 18.8 | 49% | 0.492 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.5 | 178 | 73.5 | 1.6 | 0 | 0 | 0 | 113.9 | T495 S499 | T495-N497 PolarHBondContact O-N 3.11Å; T495-N497 PolarHBondContact OG1-OD1 3.43Å; N497-S499 VanDerWaalsContact C-N 3.34Å; N497-S499 VanDerWaalsContact OD1-CB 3.27Å; N497-S499 WeakPolarHBondContact OD1-CB 3.46Å; N497-S499 PolarHBondContact OD1-N 3.05Å; N497-S499 VanDerWaalsContact OD1-N 3.14Å; N497-S499 PolarHBondContact OD1-OG 3.31Å |
| 498 | G | 88.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 81.4 | 9.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T495 V516 H517 C519 | T495-G498 PolarHBondContact O-N 3.23Å; G498-V516 PolarHBondContact O-N 2.98Å; G498-H517 WeakPolarHBondContact O-CB 3.46Å; G498-H517 PolarHBondContact O-N 3.01Å; G498-C519 WeakPolarHBondContact CA-O 3.46Å; G498-C519 PolarHBondContact N-O 3.42Å |
| 499 | S | 91.1 | Very high | 88.6 | Confident | 11 Ų | 11 | 17.1 Ų | 17.1 | 8% | 0.077 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 157.2 | 173 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | T495 N497 L514 | T495-S499 PolarHBondContact N-O 3.01Å; T495-S499 WeakPolarHBondContact OG1-CA 3.38Å; T495-S499 PolarHBondContact OG1-N 3.03Å; T495-S499 PolarHBondContact OG1-O 2.97Å; N497-S499 VanDerWaalsContact C-N 3.34Å; N497-S499 VanDerWaalsContact OD1-CB 3.27Å; N497-S499 WeakPolarHBondContact OD1-CB 3.46Å; N497-S499 PolarHBondContact OD1-N 3.05Å; N497-S499 VanDerWaalsContact OD1-N 3.14Å; N497-S499 PolarHBondContact OD1-OG 3.31Å; S499-L514 CarbonylContact C-O 3.56Å; S499-L514 WeakPolarHBondContact CA-O 3.47Å |
| 500 | V | 93.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.2 | 169.7 | -176.3 | 0 | 0 | 0 | 0 | 107.7 | A492 A493 V502 L514 V516 V521 L524 F532 | A492-V500 HydrophobicContact CB-CG1 4.17Å; A493-V500 WeakPolarHBondContact O-CA 3.31Å; V500-V502 HydrophobicContact CG1-CG2 4.38Å; V500-L514 PolarHBondContact N-O 3.11Å; V500-L514 PolarHBondContact O-N 3.48Å; V500-V516 HydrophobicContact CB-CG2 4.44Å; V500-V516 HydrophobicContact CG2-CB 4.43Å; V500-V516 HydrophobicContact CG2-CG2 4.12Å; V500-V521 HydrophobicContact CG2-CG2 4.24Å; V500-L524 HydrophobicContact CG1-CD2 4.1Å; V500-L524 HydrophobicContact CG2-CD2 4.19Å; V500-F532 HydrophobicContact CB-CE2 4.38Å; V500-F532 HydrophobicContact CB-CZ 4.11Å; V500-F532 HydrophobicContact CG1-CE1 4.45Å; V500-F532 HydrophobicContact CG1-CE2 3.91Å; V500-F532 HydrophobicContact CG1-CZ 3.61Å; V500-F532 HydrophobicContact CG2-CE2 4.22Å; V500-F532 HydrophobicContact CG2-CZ 4.43Å |
| 501 | L | 92 | Very high | 88.3 | Confident | 7 Ų | 7 | 23.1 Ų | 23.1 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.1 | 176.5 | -57.3 | 177.4 | 0 | 0 | 0 | 108.7 | L466 P467 A492 A493 T495 Y503 L510 E513 | L466-L501 HydrophobicContact CD2-CD1 4.07Å; P467-L501 HydrophobicContact CG-CD1 4.03Å; A492-L501 CarbonylContact C-O 3.59Å; A493-L501 PolarHBondContact N-O 3.2Å; A493-L501 PolarHBondContact O-N 3.11Å; T495-L501 HydrophobicContact CG2-CD1 3.87Å; T495-L501 HydrophobicContact CG2-CG 3.92Å; L501-Y503 HydrophobicContact CB-CD2 4.25Å; L501-Y503 HydrophobicContact CB-CE2 3.65Å; L501-Y503 HydrophobicContact CD1-CE2 4.23Å; L501-L510 HydrophobicContact CB-CD1 3.97Å; L501-L510 HydrophobicContact CD2-CD1 4.17Å; L501-E513 HydrophobicContact CD2-CB 3.67Å; L501-E513 HydrophobicContact CD2-CG 3.51Å |
| 502 | V | 92.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.4 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | L490 L491 A492 V500 H511 K512 F532 L555 | L490-V502 HydrophobicContact CB-CG1 4.15Å; L490-V502 HydrophobicContact CD1-CG1 4.47Å; L490-V502 HydrophobicContact CD2-CG1 4.44Å; L491-V502 CarbonylContact O-C 3.59Å; L491-V502 VanDerWaalsContact O-CA 3.3Å; L491-V502 WeakPolarHBondContact O-CA 3.2Å; A492-V502 HydrophobicContact CB-CG2 4.41Å; V500-V502 HydrophobicContact CG1-CG2 4.38Å; V502-H511 HydrophobicContact CG1-CB 4.5Å; V502-H511 WeakPolarHBondContact O-CA 3.27Å; V502-H511 VanDerWaalsContact O-CB 3.27Å; V502-H511 WeakPolarHBondContact O-CB 3.17Å; V502-H511 PolarHBondContact O-N 3.47Å; V502-K512 PolarHBondContact N-O 3.49Å; V502-K512 PolarHBondContact O-N 3.02Å; V502-F532 HydrophobicContact CG2-CE1 4.39Å; V502-L555 HydrophobicContact CG2-CD2 3.99Å |
| 503 | Y | 90.3 | Very high | 88 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 2% | 0.024 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 140.6 | -180 | -73.1 | -92.6 | 0 | 0 | 0 | 110.6 | L15 L466 L490 L491 L501 L510 | L15-Y503 HydrophobicContact CD1-CD1 3.92Å; L15-Y503 HydrophobicContact CD1-CD2 4.35Å; L15-Y503 HydrophobicContact CD1-CE1 4.49Å; L15-Y503 HydrophobicContact CD1-CG 3.84Å; L466-Y503 HydrophobicContact CD2-CD2 4.42Å; L466-Y503 HydrophobicContact CD2-CE2 3.43Å; L466-Y503 VanDerWaalsContact CD2-CE2 3.43Å; L466-Y503 WeakPolarHBondContact CD2-OH 3.19Å; L466-Y503 HydrophobicContact CG-CE2 4.25Å; L490-Y503 CarbonylContact C-O 3.38Å; L490-Y503 WeakPolarHBondContact CA-O 3.28Å; L491-Y503 PolarHBondContact N-O 3.5Å; L491-Y503 PolarHBondContact O-N 3.4Å; L501-Y503 HydrophobicContact CB-CD2 4.25Å; L501-Y503 HydrophobicContact CB-CE2 3.65Å; L501-Y503 HydrophobicContact CD1-CE2 4.23Å; Y503-L510 HydrophobicContact CD1-CB 4.34Å; Y503-L510 HydrophobicContact CD1-CD1 4.42Å; Y503-L510 HydrophobicContact CD2-CD1 4.28Å; Y503-L510 HydrophobicContact CE1-CB 4.01Å; Y503-L510 HydrophobicContact CE1-CD1 4.08Å; Y503-L510 HydrophobicContact CE2-CD1 3.92Å |
| 504 | N | 88.8 | Confident | 87.9 | Confident | 32 Ų | 32 | 32.9 Ų | 32.9 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.2 | 164.1 | 179.9 | -22.3 | 0 | 0 | 0 | 107.9 | L490 T506 S507 G508 L509 | L490-N504 HydrophobicContact CD2-CB 4.07Å; N504-T506 VanDerWaalsContact C-N 3.29Å; N504-T506 PolarHBondContact O-N 2.86Å; N504-T506 WeakPolarHBondContact OD1-CB 3.22Å; N504-T506 PolarHBondContact OD1-N 2.96Å; N504-S507 PolarHBondContact O-N 2.76Å; N504-S507 PolarHBondContact O-OG 2.68Å; N504-G508 WeakPolarHBondContact O-CA 3.49Å; N504-G508 PolarHBondContact O-N 3.08Å; N504-L509 PolarHBondContact N-O 3.1Å; N504-L509 VanDerWaalsContact N-O 3.07Å |
| 505 | L | 86 | Confident | 87.8 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.9 | -174.5 | -61.8 | -177.7 | 0 | 0 | 0 | 113.7 | L10 R13 L15 M475 P489 L491 C806 V812 V822 | L10-L505 VanDerWaalsContact CD1-C 3.43Å; L10-L505 HydrophobicContact CD1-CB 3.59Å; L10-L505 WeakPolarHBondContact CD1-O 3.44Å; R13-L505 WeakPolarHBondContact CD-O 3.46Å; R13-L505 PolarHBondContact NE-O 3.48Å; R13-L505 VanDerWaalsContact NE-O 3.14Å; L15-L505 HydrophobicContact CD1-CD2 3.79Å; M475-L505 HydrophobicContact CE-CD1 4.15Å; M475-L505 HydrophobicContact SD-CD1 3.82Å; P489-L505 PolarHBondContact O-N 3.39Å; L491-L505 HydrophobicContact CB-CD1 3.85Å; L491-L505 HydrophobicContact CB-CD2 3.95Å; L491-L505 HydrophobicContact CB-CG 3.86Å; L491-L505 HydrophobicContact CD2-CD1 4.4Å; L491-L505 HydrophobicContact CD2-CD2 4.01Å; L505-C806 WeakPolarHBondContact CD1-SG 3.2Å; L505-V812 HydrophobicContact CD1-CG2 4.24Å; L505-V822 HydrophobicContact CD1-CG2 4.14Å; L505-V822 HydrophobicContact CD2-CG2 4.2Å |
| 506 | T | 81.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 38.8 Ų | 38.8 | 25% | 0.252 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -42.4 | 171.3 | -61.8 | 0 | 0 | 0 | 0 | 110.9 | R13 P489 N504 | R13-T506 VanDerWaalsContact CZ-O 3.23Å; R13-T506 PolarHBondContact NH1-O 3.05Å; R13-T506 VanDerWaalsContact NH1-O 3.08Å; R13-T506 PolarHBondContact NH2-O 3.12Å; P489-T506 WeakPolarHBondContact CG-OG1 2.96Å; N504-T506 VanDerWaalsContact C-N 3.29Å; N504-T506 PolarHBondContact O-N 2.86Å; N504-T506 WeakPolarHBondContact OD1-CB 3.22Å; N504-T506 PolarHBondContact OD1-N 2.96Å |
| 507 | S | 78 | Confident | 88.1 | Confident | 25 Ų | 25 | 37.3 Ų | 37.3 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -25.1 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 114.2 | R13 N504 L509 T840 | R13-S507 PolarHBondContact NH1-O 2.71Å; R13-S507 VanDerWaalsContact NH1-O 3.16Å; N504-S507 PolarHBondContact O-N 2.76Å; N504-S507 PolarHBondContact O-OG 2.68Å; S507-L509 PolarHBondContact O-N 3.21Å; S507-L509 PolarHBondContact OG-N 3.48Å; S507-T840 VanDerWaalsContact CA-CG2 3.4Å |
| 508 | G | 80.1 | Confident | 88.2 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 21% | 0.206 | 21% | 0.21 | C | C | . | . | trans | 70.8 | 4.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L15 N504 | L15-G508 WeakPolarHBondContact CD2-O 3.48Å; N504-G508 WeakPolarHBondContact O-CA 3.49Å; N504-G508 PolarHBondContact O-N 3.08Å | ||
| 509 | L | 82.7 | Confident | 88.3 | Confident | 61 Ų | 61 | 38.4 Ų | 38.4 | 32% | 0.319 | 22% | 0.22 | S | C | . | . | trans | -89.3 | 149.5 | 179.9 | -59.3 | 177.1 | 0 | 0 | 0 | 111 | L463 N504 S507 H511 | L463-L509 HydrophobicContact CD2-CD2 4.35Å; N504-L509 PolarHBondContact N-O 3.1Å; N504-L509 VanDerWaalsContact N-O 3.07Å; S507-L509 PolarHBondContact O-N 3.21Å; S507-L509 PolarHBondContact OG-N 3.48Å; L509-H511 PolarHBondContact O-N 3.2Å | ||
| 510 | L | 87.1 | Confident | 88.2 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 28% | 0.277 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 120.2 | 172.8 | -178.8 | 68.4 | 0 | 0 | 0 | 109.2 | L501 Y503 E513 | L501-L510 HydrophobicContact CB-CD1 3.97Å; L501-L510 HydrophobicContact CD2-CD1 4.17Å; Y503-L510 HydrophobicContact CD1-CB 4.34Å; Y503-L510 HydrophobicContact CD1-CD1 4.42Å; Y503-L510 HydrophobicContact CD2-CD1 4.28Å; Y503-L510 HydrophobicContact CE1-CB 4.01Å; Y503-L510 HydrophobicContact CE1-CD1 4.08Å; Y503-L510 HydrophobicContact CE2-CD1 3.92Å; L510-E513 HydrophobicContact CD2-CB 4.27Å |
| 511 | H | 88.4 | Confident | 88.2 | Confident | 87 Ų | 87 | 40.7 Ų | 40.7 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -47.7 | 177.9 | -178 | 68.4 | 0 | 0 | 0 | 111.8 | V502 L509 | V502-H511 HydrophobicContact CG1-CB 4.5Å; V502-H511 WeakPolarHBondContact O-CA 3.27Å; V502-H511 VanDerWaalsContact O-CB 3.27Å; V502-H511 WeakPolarHBondContact O-CB 3.17Å; V502-H511 PolarHBondContact O-N 3.47Å; L509-H511 PolarHBondContact O-N 3.2Å |
| 512 | K | 89.3 | Confident | 88.2 | Confident | 59 Ų | 59 | 47 Ų | 47 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.2 | 175.7 | -70.5 | -163.9 | 178.8 | -157.1 | 0 | 111.8 | V502 L514 L555 P556 | V502-K512 PolarHBondContact N-O 3.49Å; V502-K512 PolarHBondContact O-N 3.02Å; K512-L514 HydrophobicContact CB-CG 4.44Å; K512-L555 WeakPolarHBondContact CE-O 3.3Å; K512-L555 PolarHBondContact NZ-O 3.38Å; K512-P556 PolarHBondContact NZ-O 3.43Å |
| 513 | E | 90.6 | Very high | 88.2 | Confident | 124 Ų | 124 | 47.4 Ų | 47.4 | 58% | 0.579 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.6 | 165.6 | 170.7 | 169.5 | -161.2 | 0 | 0 | 108.6 | L501 L510 | L501-E513 HydrophobicContact CD2-CB 3.67Å; L501-E513 HydrophobicContact CD2-CG 3.51Å; L510-E513 HydrophobicContact CD2-CB 4.27Å |
| 514 | L | 91.6 | Very high | 88.4 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118 | -175.5 | -59.2 | 173.7 | 0 | 0 | 0 | 109.7 | S499 V500 K512 V516 F532 V553 L555 | S499-L514 CarbonylContact C-O 3.56Å; S499-L514 WeakPolarHBondContact CA-O 3.47Å; V500-L514 PolarHBondContact N-O 3.11Å; V500-L514 PolarHBondContact O-N 3.48Å; K512-L514 HydrophobicContact CB-CG 4.44Å; L514-V516 HydrophobicContact CB-CG2 3.73Å; L514-V516 PolarHBondContact O-N 3.37Å; L514-F532 HydrophobicContact CD1-CZ 4.38Å; L514-V553 HydrophobicContact CD1-CG1 3.56Å; L514-L555 HydrophobicContact CD1-CD2 4.04Å |
| 515 | S | 90.8 | Very high | 88.6 | Confident | 107 Ų | 107 | 46.8 Ų | 46.8 | 75% | 0.748 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 90.6 | 172.3 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | ||
| 516 | V | 90.3 | Very high | 89 | Confident | 18 Ų | 18 | 47 Ų | 47 | 11% | 0.109 | 26% | 0.255 | C | S | . | . | trans | -97.5 | -37.1 | -168.6 | -177.9 | 0 | 0 | 0 | 0 | 112.6 | G498 V500 L514 Q551 V553 | G498-V516 PolarHBondContact O-N 2.98Å; V500-V516 HydrophobicContact CB-CG2 4.44Å; V500-V516 HydrophobicContact CG2-CB 4.43Å; V500-V516 HydrophobicContact CG2-CG2 4.12Å; L514-V516 HydrophobicContact CB-CG2 3.73Å; L514-V516 PolarHBondContact O-N 3.37Å; V516-Q551 HydrophobicContact CG1-CB 3.47Å; V516-Q551 VanDerWaalsContact CG1-CB 3.47Å; V516-Q551 HydrophobicContact CG1-CG 3.71Å; V516-V553 HydrophobicContact CG1-CG2 3.89Å; V516-V553 HydrophobicContact CG2-CG2 3.99Å | ||
| 517 | H | 91.5 | Very high | 89.5 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | trans | -121.5 | 160 | -170.9 | -67 | -77.1 | 0 | 0 | 0 | 112.1 | G498 S534 A536 E549 Q551 | G498-H517 WeakPolarHBondContact O-CB 3.46Å; G498-H517 PolarHBondContact O-N 3.01Å; H517-S534 PolarHBondContact CE1-O 3.39Å; H517-S534 VanDerWaalsContact NE2-CB 3.33Å; H517-S534 WeakPolarHBondContact NE2-CB 3.48Å; H517-S534 PolarHBondContact NE2-O 3.49Å; H517-S534 PolarHBondContact NE2-OG 2.99Å; H517-A536 HydrophobicContact CB-CB 3.86Å; H517-E549 WeakPolarHBondContact CA-OE2 3.4Å; H517-E549 WeakPolarHBondContact CB-OE2 3.17Å; H517-E549 IonicContact CG-OE2 3.57Å; H517-E549 IonicContact ND1-OE2 3.84Å; H517-E549 PolarHBondContact ND1-OE2 3.44Å; H517-E549 VanDerWaalsContact ND1-OE2 3.16Å; H517-Q551 VanDerWaalsContact CE1-CG 3.42Å; H517-Q551 WeakPolarHBondContact CE1-CG 3.37Å | ||
| 518 | S | 88.2 | Confident | 90 | Very high | 83 Ų | 83 | 46.5 Ų | 46.5 | 58% | 0.58 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -88.7 | -14.9 | 172.4 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | E549 | S518-E549 PolarHBondContact N-OE2 2.83Å; S518-E549 VanDerWaalsContact N-OE2 3.12Å; S518-E549 PolarHBondContact OG-OE1 3.26Å |
| 519 | C | 90 | Very high | 90.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 22% | 0.216 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -130 | 172.9 | -173.7 | -61 | 0 | 0 | 0 | 0 | 111 | G498 V521 A536 | G498-C519 WeakPolarHBondContact CA-O 3.46Å; G498-C519 PolarHBondContact N-O 3.42Å; C519-V521 PolarHBondContact O-N 3.12Å; C519-A536 HydrophobicContact CB-CB 4.3Å |
| 520 | E | 89.8 | Confident | 90.7 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 26% | 0.259 | S | S | . | . | trans | -51.5 | 130.1 | 176.2 | 175.6 | -174.8 | 146 | 0 | 0 | 112.3 | P470 R522 A536 | P470-E520 HydrophobicContact CG-CG 4.19Å; P470-E520 WeakPolarHBondContact CG-OE1 3.29Å; E520-R522 PolarHBondContact O-N 3.49Å; E520-R522 WeakPolarHBondContact OE1-CD 3.35Å; E520-R522 IonicContact OE1-CZ 2.87Å; E520-R522 IonicContact OE1-NH1 3.38Å; E520-R522 PolarHBondContact OE1-NH1 3.14Å; E520-A536 WeakPolarHBondContact O-CA 3.31Å; E520-A536 WeakPolarHBondContact O-CB 3.22Å | ||
| 521 | V | 93.1 | Very high | 90.9 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 114.4 | 173.7 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | T495 V500 C519 L524 | T495-V521 PolarHBondContact O-N 3.32Å; T495-V521 VanDerWaalsContact O-N 3.09Å; V500-V521 HydrophobicContact CG2-CG2 4.24Å; C519-V521 PolarHBondContact O-N 3.12Å; V521-L524 HydrophobicContact CG1-CD1 4.49Å; V521-L524 HydrophobicContact CG1-CD2 4.43Å; V521-L524 HydrophobicContact CG1-CG 4.16Å |
| 522 | R | 91.7 | Very high | 91.3 | Very high | 139 Ų | 139 | 41.9 Ų | 41.9 | 53% | 0.525 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -24.9 | -175.1 | -62.3 | -63.7 | -68.3 | 162.9 | -0.5 | 113.1 | E520 F535 | E520-R522 PolarHBondContact O-N 3.49Å; E520-R522 WeakPolarHBondContact OE1-CD 3.35Å; E520-R522 IonicContact OE1-CZ 2.87Å; E520-R522 IonicContact OE1-NH1 3.38Å; E520-R522 PolarHBondContact OE1-NH1 3.14Å; R522-F535 HydrophobicContact CB-CD2 4.06Å; R522-F535 HydrophobicContact CB-CE2 3.58Å; R522-F535 HydrophobicContact CB-CZ 3.97Å; R522-F535 PolarHBondContact N-O 3.29Å |
| 523 | G | 91.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 39 Ų | 39 | 10% | 0.103 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 161.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | S534 F535 | G523-S534 WeakPolarHBondContact O-CA 3.48Å; G523-F535 PolarHBondContact N-O 3.03Å; G523-F535 WeakPolarHBondContact O-CD1 3.48Å; G523-F535 PolarHBondContact O-N 3.41Å |
| 524 | L | 94.7 | Very high | 91.7 | Very high | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.052 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 135.3 | -172.8 | -72.9 | 156.2 | 0 | 0 | 0 | 109.7 | A472 R474 A492 V500 V521 F532 L533 S534 | A472-L524 HydrophobicContact CB-CD1 4.47Å; A472-L524 WeakPolarHBondContact O-CD1 3.32Å; R474-L524 HydrophobicContact CB-CB 3.8Å; R474-L524 VanDerWaalsContact CD-O 3.32Å; R474-L524 WeakPolarHBondContact CD-O 3.35Å; R474-L524 WeakPolarHBondContact CG-O 3.38Å; A492-L524 HydrophobicContact CB-CD1 4.2Å; V500-L524 HydrophobicContact CG1-CD2 4.1Å; V500-L524 HydrophobicContact CG2-CD2 4.19Å; V521-L524 HydrophobicContact CG1-CD1 4.49Å; V521-L524 HydrophobicContact CG1-CD2 4.43Å; V521-L524 HydrophobicContact CG1-CG 4.16Å; L524-F532 HydrophobicContact CD2-CD2 3.64Å; L524-F532 HydrophobicContact CD2-CE2 3.68Å; L524-L533 WeakPolarHBondContact CA-O 3.37Å; L524-S534 VanDerWaalsContact CD2-CB 3.46Å |
| 525 | E | 94.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 126.8 | 171.2 | -77 | -68.2 | 178.4 | 0 | 0 | 110.8 | R474 L533 I577 V579 R758 | R474-E525 IonicContact CZ-OE1 3.27Å; R474-E525 IonicContact CZ-OE2 3.36Å; R474-E525 VanDerWaalsContact CZ-OE2 3.28Å; R474-E525 VanDerWaalsContact NE-CD 3.27Å; R474-E525 IonicContact NE-OE1 2.84Å; R474-E525 PolarHBondContact NE-OE1 3.14Å; R474-E525 IonicContact NE-OE2 2.81Å; R474-E525 PolarHBondContact NE-OE2 3.28Å; R474-E525 IonicContact NH2-OE1 3.77Å; R474-E525 PolarHBondContact NH2-OE1 2.99Å; R474-E525 IonicContact NH2-OE2 2.88Å; R474-E525 PolarHBondContact NH2-OE2 2.87Å; E525-L533 PolarHBondContact N-O 3.1Å; E525-L533 PolarHBondContact O-N 2.99Å; E525-I577 HydrophobicContact CB-CD1 4.3Å; E525-I577 HydrophobicContact CG-CD1 4.45Å; E525-I577 HydrophobicContact CG-CG1 4.16Å; E525-V579 HydrophobicContact CB-CG2 3.78Å; E525-R758 IonicContact OE1-CZ 3.5Å; E525-R758 IonicContact OE1-NH2 2.84Å; E525-R758 PolarHBondContact OE1-NH2 2.69Å |
| 526 | W | 93.4 | Very high | 92 | Very high | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.015 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.3 | 179.2 | -69.3 | 87.8 | 0 | 0 | 0 | 111.8 | R474 M475 C476 P477 L490 A492 F532 L555 K583 | R474-W526 PolarHBondContact O-NE1 3.19Å; M475-W526 PolarHBondContact O-NE1 2.67Å; C476-W526 HydrophobicContact CB-CD2 4.18Å; C476-W526 HydrophobicContact CB-CE3 4.42Å; C476-W526 HydrophobicContact CB-CH2 4.18Å; C476-W526 HydrophobicContact CB-CZ2 3.98Å; C476-W526 HydrophobicContact CB-CZ3 4.41Å; P477-W526 HydrophobicContact CG-CB 3.87Å; L490-W526 HydrophobicContact CB-CH2 4.12Å; L490-W526 HydrophobicContact CB-CZ2 4.38Å; L490-W526 HydrophobicContact CD1-CH2 4.48Å; A492-W526 HydrophobicContact CB-CZ2 3.83Å; W526-F532 HydrophobicContact CD2-CB 3.94Å; W526-F532 HydrophobicContact CE3-CB 3.99Å; W526-F532 HydrophobicContact CE3-CD1 4.35Å; W526-F532 HydrophobicContact CG-CB 4.2Å; W526-F532 HydrophobicContact CH2-CD1 4.33Å; W526-F532 HydrophobicContact CZ3-CD1 4.19Å; W526-L555 HydrophobicContact CH2-CD1 3.5Å; W526-L555 VanDerWaalsContact CH2-CD1 3.5Å; W526-L555 HydrophobicContact CZ3-CD1 3.47Å; W526-L555 VanDerWaalsContact CZ3-CD1 3.47Å; W526-K583 PolarHBondContact O-NZ 2.67Å |
| 527 | V | 92.4 | Very high | 92 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 11% | 0.109 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -95.5 | -36.7 | 176.8 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | S531 L533 V579 K583 I600 | V527-S531 PolarHBondContact N-O 3.46Å; V527-L533 HydrophobicContact CG2-CD1 3.55Å; V527-L533 HydrophobicContact CG2-CG 3.66Å; V527-V579 HydrophobicContact CG2-CG2 4.49Å; V527-K583 WeakPolarHBondContact O-CG 3.35Å; V527-I600 HydrophobicContact CG1-CG2 3.5Å; V527-I600 HydrophobicContact CG2-CG2 4.23Å |
| 528 | S | 89.2 | Confident | 91.9 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -140.6 | -170.3 | 174.8 | 75.2 | 0 | 0 | 0 | 0 | 110.4 | P477 T530 S531 | P477-S528 WeakPolarHBondContact CD-O 3.33Å; P477-S528 WeakPolarHBondContact CG-O 3.39Å; S528-T530 PolarHBondContact OG-N 2.9Å; S528-T530 VanDerWaalsContact OG-N 3.11Å; S528-T530 PolarHBondContact OG-OG1 2.95Å; S528-S531 PolarHBondContact N-O 3.35Å; S528-S531 PolarHBondContact OG-N 3.44Å; S528-S531 PolarHBondContact OG-OG 3.24Å |
| 529 | L | 87.4 | Confident | 91.9 | Very high | 46 Ų | 46 | 29.2 Ų | 29.2 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -72.2 | -19.9 | 170.6 | -71.1 | 177.8 | 0 | 0 | 0 | 112.9 | P477 N483 Y487 | P477-L529 HydrophobicContact CB-CD2 4.1Å; P477-L529 HydrophobicContact CG-CD2 4.32Å; P477-L529 WeakPolarHBondContact O-CD2 3.32Å; N483-L529 HydrophobicContact CB-CD1 3.7Å; Y487-L529 HydrophobicContact CD2-CD2 4.08Å |
| 530 | T | 89.3 | Confident | 91.7 | Very high | 65 Ų | 65 | 32 Ų | 32 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -119.1 | -4.6 | -173.4 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | S528 L555 P556 | S528-T530 PolarHBondContact OG-N 2.9Å; S528-T530 VanDerWaalsContact OG-N 3.11Å; S528-T530 PolarHBondContact OG-OG1 2.95Å; T530-L555 WeakPolarHBondContact O-CA 3.34Å; T530-L555 WeakPolarHBondContact O-CB 2.93Å; T530-L555 VanDerWaalsContact O-CG 3.28Å; T530-L555 WeakPolarHBondContact O-CG 3.37Å; T530-L555 PolarHBondContact O-N 3.33Å; T530-P556 HydrophobicContact CG2-CG 4.2Å |
| 531 | S | 92.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 32.2 Ų | 32.2 | 8% | 0.077 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.3 | -178.5 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | V527 S528 V553 | V527-S531 PolarHBondContact N-O 3.46Å; S528-S531 PolarHBondContact N-O 3.35Å; S528-S531 PolarHBondContact OG-N 3.44Å; S528-S531 PolarHBondContact OG-OG 3.24Å; S531-V553 WeakPolarHBondContact CA-O 3.48Å; S531-V553 VanDerWaalsContact CB-O 3.3Å; S531-V553 WeakPolarHBondContact CB-O 3.46Å |
| 532 | F | 95.1 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.5 | 178.7 | 65.3 | -96.1 | 0 | 0 | 0 | 111.6 | V500 V502 L514 L524 W526 V553 L555 | V500-F532 HydrophobicContact CB-CE2 4.38Å; V500-F532 HydrophobicContact CB-CZ 4.11Å; V500-F532 HydrophobicContact CG1-CE1 4.45Å; V500-F532 HydrophobicContact CG1-CE2 3.91Å; V500-F532 HydrophobicContact CG1-CZ 3.61Å; V500-F532 HydrophobicContact CG2-CE2 4.22Å; V500-F532 HydrophobicContact CG2-CZ 4.43Å; V502-F532 HydrophobicContact CG2-CE1 4.39Å; L514-F532 HydrophobicContact CD1-CZ 4.38Å; L524-F532 HydrophobicContact CD2-CD2 3.64Å; L524-F532 HydrophobicContact CD2-CE2 3.68Å; W526-F532 HydrophobicContact CD2-CB 3.94Å; W526-F532 HydrophobicContact CE3-CB 3.99Å; W526-F532 HydrophobicContact CE3-CD1 4.35Å; W526-F532 HydrophobicContact CG-CB 4.2Å; W526-F532 HydrophobicContact CH2-CD1 4.33Å; W526-F532 HydrophobicContact CZ3-CD1 4.19Å; F532-V553 HydrophobicContact CD1-CB 4.49Å; F532-V553 HydrophobicContact CD2-CB 4.31Å; F532-V553 HydrophobicContact CD2-CG2 4.46Å; F532-V553 HydrophobicContact CE1-CB 4.05Å; F532-V553 HydrophobicContact CE1-CG1 3.93Å; F532-V553 HydrophobicContact CE2-CB 3.85Å; F532-V553 HydrophobicContact CE2-CG1 4.37Å; F532-V553 HydrophobicContact CE2-CG2 3.78Å; F532-V553 HydrophobicContact CZ-CB 3.7Å; F532-V553 HydrophobicContact CZ-CG1 3.72Å; F532-V553 HydrophobicContact CZ-CG2 3.96Å; F532-V553 PolarHBondContact N-O 2.8Å; F532-V553 VanDerWaalsContact N-O 3.12Å; F532-V553 PolarHBondContact O-N 3.31Å; F532-L555 HydrophobicContact CD1-CD2 4.45Å; F532-L555 HydrophobicContact CD1-CG 4.38Å; F532-L555 HydrophobicContact CE1-CD2 3.78Å; F532-L555 HydrophobicContact CE1-CG 4.18Å |
| 533 | L | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.5 | 170.3 | -70.5 | 162.3 | 0 | 0 | 0 | 109.1 | L524 E525 V527 L550 Q551 H552 F563 I577 V579 L586 | L524-L533 WeakPolarHBondContact CA-O 3.37Å; E525-L533 PolarHBondContact N-O 3.1Å; E525-L533 PolarHBondContact O-N 2.99Å; V527-L533 HydrophobicContact CG2-CD1 3.55Å; V527-L533 HydrophobicContact CG2-CG 3.66Å; L533-L550 HydrophobicContact CB-CD1 4.48Å; L533-Q551 WeakPolarHBondContact CA-O 3.48Å; L533-H552 HydrophobicContact CD2-CB 3.69Å; L533-F563 HydrophobicContact CD2-CB 4.16Å; L533-F563 HydrophobicContact CD2-CD2 3.8Å; L533-F563 HydrophobicContact CD2-CE2 4.4Å; L533-F563 HydrophobicContact CD2-CG 3.96Å; L533-I577 HydrophobicContact CB-CD1 4.27Å; L533-V579 HydrophobicContact CD1-CG2 4.23Å; L533-L586 HydrophobicContact CD1-CD1 3.94Å; L533-L586 HydrophobicContact CD1-CD2 3.86Å; L533-L586 HydrophobicContact CD1-CG 4.44Å |
| 534 | S | 94.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.4 | 175 | 58.3 | 0 | 0 | 0 | 0 | 110 | H517 G523 L524 Q551 | H517-S534 PolarHBondContact CE1-O 3.39Å; H517-S534 VanDerWaalsContact NE2-CB 3.33Å; H517-S534 WeakPolarHBondContact NE2-CB 3.48Å; H517-S534 PolarHBondContact NE2-O 3.49Å; H517-S534 PolarHBondContact NE2-OG 2.99Å; G523-S534 WeakPolarHBondContact O-CA 3.48Å; L524-S534 VanDerWaalsContact CD2-CB 3.46Å; S534-Q551 PolarHBondContact N-O 3.5Å; S534-Q551 PolarHBondContact O-N 3.12Å |
| 535 | F | 94.6 | Very high | 89.9 | Confident | 11 Ų | 11 | 45 Ų | 45 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.6 | 175.4 | 78.3 | -82.5 | 0 | 0 | 0 | 113.2 | R522 G523 E549 L550 I574 I577 | R522-F535 HydrophobicContact CB-CD2 4.06Å; R522-F535 HydrophobicContact CB-CE2 3.58Å; R522-F535 HydrophobicContact CB-CZ 3.97Å; R522-F535 PolarHBondContact N-O 3.29Å; G523-F535 PolarHBondContact N-O 3.03Å; G523-F535 WeakPolarHBondContact O-CD1 3.48Å; G523-F535 PolarHBondContact O-N 3.41Å; F535-E549 CarbonylContact C-O 3.52Å; F535-E549 WeakPolarHBondContact CA-O 3.43Å; F535-L550 HydrophobicContact CB-CD1 3.77Å; F535-I574 HydrophobicContact CD2-CB 3.95Å; F535-I574 HydrophobicContact CD2-CG2 3.61Å; F535-I574 HydrophobicContact CE2-CB 4.13Å; F535-I574 HydrophobicContact CE2-CG2 3.63Å; F535-I574 HydrophobicContact CG-CG2 4.23Å; F535-I574 HydrophobicContact CZ-CG2 4.27Å; F535-I577 HydrophobicContact CD1-CB 4.47Å; F535-I577 HydrophobicContact CD1-CD1 3.63Å; F535-I577 HydrophobicContact CD1-CG1 3.72Å; F535-I577 HydrophobicContact CD1-CG2 3.99Å; F535-I577 HydrophobicContact CE1-CD1 4.19Å; F535-I577 HydrophobicContact CE1-CG1 3.78Å; F535-I577 HydrophobicContact CE1-CG2 4.27Å; F535-I577 HydrophobicContact CG-CG2 4.36Å |
| 536 | A | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | H517 C519 E520 E549 | H517-A536 HydrophobicContact CB-CB 3.86Å; C519-A536 HydrophobicContact CB-CB 4.3Å; E520-A536 WeakPolarHBondContact O-CA 3.31Å; E520-A536 WeakPolarHBondContact O-CB 3.22Å; A536-E549 HydrophobicContact CB-CB 4.44Å; A536-E549 PolarHBondContact N-O 2.96Å; A536-E549 PolarHBondContact O-N 2.91Å |
| 537 | T | 91.1 | Very high | 89.5 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 17% | 0.166 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.5 | 178.9 | 57.9 | 0 | 0 | 0 | 0 | 109.2 | N548 P573 I574 | T537-N548 WeakPolarHBondContact CG2-OD1 3.4Å; T537-P573 HydrophobicContact CG2-CB 4.33Å; T537-I574 HydrophobicContact CG2-CB 4.29Å |
| 538 | S | 89.6 | Confident | 89.4 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.203 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 170.1 | 176.9 | 76.2 | 0 | 0 | 0 | 0 | 112.4 | V546 R547 | S538-V546 VanDerWaalsContact O-CG1 3.25Å; S538-V546 WeakPolarHBondContact O-CG1 3.42Å; S538-R547 PolarHBondContact N-O 3.34Å; S538-R547 PolarHBondContact OG-N 3.29Å |
| 539 | S | 87.1 | Confident | 89.6 | Confident | 99 Ų | 99 | 49.6 Ų | 49.6 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 141.3 | 167.1 | 54.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 540 | P | 86.6 | Confident | 89.9 | Confident | 89 Ų | 89 | 47.7 Ų | 47.7 | 58% | 0.578 | 27% | 0.27 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 140.2 | 176.7 | -18.4 | 30.1 | 0 | 0 | 0 | 111.8 | L545 V546 | P540-L545 WeakPolarHBondContact CA-O 3.37Å; P540-V546 HydrophobicContact CB-CG1 4.11Å; P540-V546 HydrophobicContact CG-CG1 4.03Å |
| 541 | N | 86.4 | Confident | 90.1 | Very high | 62 Ų | 62 | 46.2 Ų | 46.2 | 33% | 0.332 | 26% | 0.258 | S | S | . | . | trans | -75.2 | 178.6 | 167.8 | 69.4 | 18.6 | 0 | 0 | 0 | 110.7 | M543 G544 L545 D570 | N541-M543 PolarHBondContact O-N 3.06Å; N541-M543 WeakPolarHBondContact OD1-CA 3.48Å; N541-M543 WeakPolarHBondContact OD1-CB 3.5Å; N541-M543 PolarHBondContact OD1-N 3.33Å; N541-G544 PolarHBondContact O-N 3.18Å; N541-G544 PolarHBondContact OD1-N 3.15Å; N541-L545 PolarHBondContact N-O 3.06Å; N541-L545 PolarHBondContact OD1-N 3.03Å; N541-L545 PolarHBondContact OD1-O 2.92Å; N541-D570 PolarHBondContact ND2-OD1 3.31Å; N541-D570 VanDerWaalsContact ND2-OD1 3.17Å | ||
| 542 | N | 84.9 | Confident | 90.2 | Very high | 176 Ų | 176 | 47 Ų | 47 | 94% | 0.941 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.6 | -179.8 | -68.4 | -13 | 0 | 0 | 0 | 114 | ||
| 543 | M | 81.8 | Confident | 90.1 | Very high | 156 Ų | 156 | 47 Ų | 47 | 77% | 0.768 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | 4.5 | 177.3 | -62.6 | -62.9 | -63.4 | 0 | 0 | 112.7 | N541 L545 | N541-M543 PolarHBondContact O-N 3.06Å; N541-M543 WeakPolarHBondContact OD1-CA 3.48Å; N541-M543 WeakPolarHBondContact OD1-CB 3.5Å; N541-M543 PolarHBondContact OD1-N 3.33Å; M543-L545 HydrophobicContact CB-CD1 4.34Å; M543-L545 HydrophobicContact CB-CG 4.37Å; M543-L545 PolarHBondContact O-N 3.4Å |
| 544 | G | 81 | Confident | 90 | Very high | 42 Ų | 42 | 49.1 Ų | 49.1 | 43% | 0.433 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 75.6 | 4.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.9 | N541 | N541-G544 PolarHBondContact O-N 3.18Å; N541-G544 PolarHBondContact OD1-N 3.15Å |
| 545 | L | 88.1 | Confident | 89.7 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 29% | 0.293 | 27% | 0.273 | S | S | . | . | trans | -87.2 | 148.2 | 178.4 | -56.9 | 169.2 | 0 | 0 | 0 | 110.4 | P540 N541 M543 D570 P572 | P540-L545 WeakPolarHBondContact CA-O 3.37Å; N541-L545 PolarHBondContact N-O 3.06Å; N541-L545 PolarHBondContact OD1-N 3.03Å; N541-L545 PolarHBondContact OD1-O 2.92Å; M543-L545 HydrophobicContact CB-CD1 4.34Å; M543-L545 HydrophobicContact CB-CG 4.37Å; M543-L545 PolarHBondContact O-N 3.4Å; L545-D570 HydrophobicContact CB-CB 4.4Å; L545-D570 HydrophobicContact CD1-CB 4.11Å; L545-P572 HydrophobicContact CD2-CG 4.38Å | ||
| 546 | V | 90.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 164.7 | -177.4 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | S538 P540 N548 D570 E571 P573 | S538-V546 VanDerWaalsContact O-CG1 3.25Å; S538-V546 WeakPolarHBondContact O-CG1 3.42Å; P540-V546 HydrophobicContact CB-CG1 4.11Å; P540-V546 HydrophobicContact CG-CG1 4.03Å; V546-N548 WeakPolarHBondContact CG2-OD1 3.5Å; V546-D570 PolarHBondContact O-N 3.34Å; V546-E571 VanDerWaalsContact CG2-O 3.29Å; V546-E571 WeakPolarHBondContact CG2-O 3.35Å; V546-E571 PolarHBondContact N-O 2.84Å; V546-E571 PolarHBondContact O-N 3.28Å; V546-P573 HydrophobicContact CG1-CB 4.48Å; V546-P573 VanDerWaalsContact CG2-CA 3.43Å; V546-P573 HydrophobicContact CG2-CB 3.78Å |
| 547 | R | 89.5 | Confident | 89.3 | Confident | 135 Ų | 135 | 56.6 Ų | 56.6 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | trans | -89.4 | 114.8 | 162.5 | -177.9 | 173 | -178.3 | 178.9 | -0.1 | 109.3 | S538 G568 N569 | S538-R547 PolarHBondContact N-O 3.34Å; S538-R547 PolarHBondContact OG-N 3.29Å; R547-G568 CarbonylContact C-O 3.55Å; R547-G568 WeakPolarHBondContact CA-O 3.42Å; R547-N569 WeakPolarHBondContact CD-OD1 3.34Å; R547-N569 WeakPolarHBondContact CG-OD1 3.27Å; R547-N569 PolarHBondContact NE-OD1 2.73Å | ||
| 548 | N | 91.8 | Very high | 89 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.053 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.1 | 175.4 | -70.9 | -43.9 | 0 | 0 | 0 | 110.1 | T537 V546 G568 E571 P572 I574 | T537-N548 WeakPolarHBondContact CG2-OD1 3.4Å; V546-N548 WeakPolarHBondContact CG2-OD1 3.5Å; N548-G568 PolarHBondContact N-O 3.47Å; N548-E571 WeakPolarHBondContact ND2-CB 3.25Å; N548-P572 PolarHBondContact ND2-O 3.27Å; N548-I574 HydrophobicContact CB-CD1 3.74Å; N548-I574 HydrophobicContact CB-CG1 4.06Å; N548-I574 PolarHBondContact OD1-N 2.99Å; N548-I574 VanDerWaalsContact OD1-N 3.13Å |
| 549 | E | 92.4 | Very high | 88.9 | Confident | 22 Ų | 22 | 64.4 Ų | 64.4 | 10% | 0.103 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 117.5 | 174.2 | -63.1 | -178.5 | 174.4 | 0 | 0 | 109.3 | H517 S518 F535 A536 | H517-E549 WeakPolarHBondContact CA-OE2 3.4Å; H517-E549 WeakPolarHBondContact CB-OE2 3.17Å; H517-E549 IonicContact CG-OE2 3.57Å; H517-E549 IonicContact ND1-OE2 3.84Å; H517-E549 PolarHBondContact ND1-OE2 3.44Å; H517-E549 VanDerWaalsContact ND1-OE2 3.16Å; S518-E549 PolarHBondContact N-OE2 2.83Å; S518-E549 VanDerWaalsContact N-OE2 3.12Å; S518-E549 PolarHBondContact OG-OE1 3.26Å; F535-E549 CarbonylContact C-O 3.52Å; F535-E549 WeakPolarHBondContact CA-O 3.43Å; A536-E549 HydrophobicContact CB-CB 4.44Å; A536-E549 PolarHBondContact N-O 2.96Å; A536-E549 PolarHBondContact O-N 2.91Å |
| 550 | L | 94.1 | Very high | 89 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 115.5 | 171.4 | 179.4 | 67.1 | 0 | 0 | 0 | 108.8 | L533 F535 F563 R564 I577 L586 V588 | L533-L550 HydrophobicContact CB-CD1 4.48Å; F535-L550 HydrophobicContact CB-CD1 3.77Å; L550-F563 HydrophobicContact CD2-CB 4.15Å; L550-F563 HydrophobicContact CD2-CD1 3.73Å; L550-F563 HydrophobicContact CD2-CG 4.27Å; L550-F563 HydrophobicContact CG-CB 4.01Å; L550-F563 HydrophobicContact CG-CD1 4.49Å; L550-F563 PolarHBondContact O-N 3.24Å; L550-R564 HydrophobicContact CB-CG 4.45Å; L550-R564 HydrophobicContact CD2-CG 4Å; L550-I577 HydrophobicContact CD1-CD1 4.14Å; L550-I577 HydrophobicContact CD1-CG2 4.44Å; L550-L586 HydrophobicContact CD2-CD2 3.97Å; L550-V588 HydrophobicContact CD2-CG2 4.22Å |
| 551 | Q | 93.4 | Very high | 89.2 | Confident | 34 Ų | 34 | 63.4 Ų | 63.4 | 16% | 0.159 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 135.6 | -172.4 | -62.2 | -69 | -19.4 | 0 | 0 | 110.3 | V516 H517 L533 S534 F561 A562 | V516-Q551 HydrophobicContact CG1-CB 3.47Å; V516-Q551 VanDerWaalsContact CG1-CB 3.47Å; V516-Q551 HydrophobicContact CG1-CG 3.71Å; H517-Q551 VanDerWaalsContact CE1-CG 3.42Å; H517-Q551 WeakPolarHBondContact CE1-CG 3.37Å; L533-Q551 WeakPolarHBondContact CA-O 3.48Å; S534-Q551 PolarHBondContact N-O 3.5Å; S534-Q551 PolarHBondContact O-N 3.12Å; Q551-F561 WeakPolarHBondContact CA-O 3.17Å; Q551-F561 PolarHBondContact OE1-O 3.02Å; Q551-F561 VanDerWaalsContact OE1-O 3.1Å; Q551-A562 VanDerWaalsContact OE1-N 3.1Å |
| 552 | H | 93.6 | Very high | 89.4 | Confident | 27 Ų | 27 | 62.5 Ų | 62.5 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 127.2 | 167.5 | 179.1 | -77.3 | 0 | 0 | 0 | 109.2 | L533 C560 F561 F563 | L533-H552 HydrophobicContact CD2-CB 3.69Å; H552-C560 WeakPolarHBondContact O-CA 3.34Å; H552-F561 HydrophobicContact CB-CD1 4.16Å; H552-F561 HydrophobicContact CB-CD2 4.36Å; H552-F561 HydrophobicContact CB-CE1 3.67Å; H552-F561 HydrophobicContact CB-CE2 3.87Å; H552-F561 HydrophobicContact CB-CG 4.5Å; H552-F561 HydrophobicContact CB-CZ 3.5Å; H552-F561 AromaticContact CG-CE1 3.61Å; H552-F561 AromaticContact CG-CZ 3.6Å; H552-F561 PolarHBondContact N-O 3.1Å; H552-F561 AromaticContact ND1-CE1 3.25Å; H552-F561 WeakPolarHBondContact ND1-CE1 3.36Å; H552-F561 AromaticContact ND1-CZ 3.72Å; H552-F561 PolarHBondContact O-N 2.9Å; H552-F563 HydrophobicContact CB-CD2 4.29Å |
| 553 | V | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 125.5 | -174.4 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | L514 V516 S531 F532 C560 | L514-V553 HydrophobicContact CD1-CG1 3.56Å; V516-V553 HydrophobicContact CG1-CG2 3.89Å; V516-V553 HydrophobicContact CG2-CG2 3.99Å; S531-V553 WeakPolarHBondContact CA-O 3.48Å; S531-V553 VanDerWaalsContact CB-O 3.3Å; S531-V553 WeakPolarHBondContact CB-O 3.46Å; F532-V553 HydrophobicContact CD1-CB 4.49Å; F532-V553 HydrophobicContact CD2-CB 4.31Å; F532-V553 HydrophobicContact CD2-CG2 4.46Å; F532-V553 HydrophobicContact CE1-CB 4.05Å; F532-V553 HydrophobicContact CE1-CG1 3.93Å; F532-V553 HydrophobicContact CE2-CB 3.85Å; F532-V553 HydrophobicContact CE2-CG1 4.37Å; F532-V553 HydrophobicContact CE2-CG2 3.78Å; F532-V553 HydrophobicContact CZ-CB 3.7Å; F532-V553 HydrophobicContact CZ-CG1 3.72Å; F532-V553 HydrophobicContact CZ-CG2 3.96Å; F532-V553 PolarHBondContact N-O 2.8Å; F532-V553 VanDerWaalsContact N-O 3.12Å; F532-V553 PolarHBondContact O-N 3.31Å; V553-C560 HydrophobicContact CG2-CB 4.44Å |
| 554 | D | 91.7 | Very high | 89.9 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 24% | 0.241 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.9 | 168.7 | -173.8 | 38.3 | 0 | 0 | 0 | 110.4 | P556 T557 G558 R559 | D554-P556 VanDerWaalsContact OD1-CD 3.23Å; D554-P556 WeakPolarHBondContact OD1-CD 3.37Å; D554-T557 PolarHBondContact OD2-OG1 3.2Å; D554-G558 VanDerWaalsContact O-CA 3.24Å; D554-G558 WeakPolarHBondContact O-CA 3.24Å; D554-G558 PolarHBondContact O-N 3.33Å; D554-R559 PolarHBondContact N-O 3.42Å; D554-R559 PolarHBondContact O-N 3.48Å |
| 555 | L | 89.9 | Confident | 90 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -49.1 | -173.1 | -73.5 | 173.3 | 0 | 0 | 0 | 113.5 | L490 V502 K512 L514 W526 T530 F532 T557 G558 | L490-L555 HydrophobicContact CD1-CD1 4.24Å; V502-L555 HydrophobicContact CG2-CD2 3.99Å; K512-L555 WeakPolarHBondContact CE-O 3.3Å; K512-L555 PolarHBondContact NZ-O 3.38Å; L514-L555 HydrophobicContact CD1-CD2 4.04Å; W526-L555 HydrophobicContact CH2-CD1 3.5Å; W526-L555 VanDerWaalsContact CH2-CD1 3.5Å; W526-L555 HydrophobicContact CZ3-CD1 3.47Å; W526-L555 VanDerWaalsContact CZ3-CD1 3.47Å; T530-L555 WeakPolarHBondContact O-CA 3.34Å; T530-L555 WeakPolarHBondContact O-CB 2.93Å; T530-L555 VanDerWaalsContact O-CG 3.28Å; T530-L555 WeakPolarHBondContact O-CG 3.37Å; T530-L555 PolarHBondContact O-N 3.33Å; F532-L555 HydrophobicContact CD1-CD2 4.45Å; F532-L555 HydrophobicContact CD1-CG 4.38Å; F532-L555 HydrophobicContact CE1-CD2 3.78Å; F532-L555 HydrophobicContact CE1-CG 4.18Å; L555-T557 VanDerWaalsContact C-N 3.35Å; L555-T557 PolarHBondContact O-N 3.15Å; L555-G558 PolarHBondContact O-N 2.97Å |
| 556 | P | 89.4 | Confident | 89.1 | Confident | 84 Ų | 84 | 54.3 Ų | 54.3 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -45.8 | -175.3 | -24.4 | 37 | 0 | 0 | 0 | 111.3 | K512 T530 D554 | K512-P556 PolarHBondContact NZ-O 3.43Å; T530-P556 HydrophobicContact CG2-CG 4.2Å; D554-P556 VanDerWaalsContact OD1-CD 3.23Å; D554-P556 WeakPolarHBondContact OD1-CD 3.37Å |
| 557 | T | 87.8 | Confident | 88.2 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 48% | 0.479 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -17.1 | -179 | 70.9 | 0 | 0 | 0 | 0 | 114 | D554 L555 R559 | D554-T557 PolarHBondContact OD2-OG1 3.2Å; L555-T557 VanDerWaalsContact C-N 3.35Å; L555-T557 PolarHBondContact O-N 3.15Å; T557-R559 PolarHBondContact O-N 3.41Å; T557-R559 WeakPolarHBondContact OG1-CB 2.97Å; T557-R559 WeakPolarHBondContact OG1-CG 2.95Å; T557-R559 PolarHBondContact OG1-N 3.07Å |
| 558 | G | 85.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 32% | 0.32 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 21.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | D554 L555 | D554-G558 VanDerWaalsContact O-CA 3.24Å; D554-G558 WeakPolarHBondContact O-CA 3.24Å; D554-G558 PolarHBondContact O-N 3.33Å; L555-G558 PolarHBondContact O-N 2.97Å |
| 559 | R | 87.6 | Confident | 86.7 | Confident | 189 Ų | 189 | 59 Ų | 59 | 71% | 0.713 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.6 | -177.3 | -73.9 | 177.5 | 177.6 | 178.7 | 0.1 | 109 | D554 T557 | D554-R559 PolarHBondContact N-O 3.42Å; D554-R559 PolarHBondContact O-N 3.48Å; T557-R559 PolarHBondContact O-N 3.41Å; T557-R559 WeakPolarHBondContact OG1-CB 2.97Å; T557-R559 WeakPolarHBondContact OG1-CG 2.95Å; T557-R559 PolarHBondContact OG1-N 3.07Å |
| 560 | C | 89.8 | Confident | 86.3 | Confident | 58 Ų | 58 | 63.1 Ų | 63.1 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.8 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | H552 V553 | H552-C560 WeakPolarHBondContact O-CA 3.34Å; V553-C560 HydrophobicContact CG2-CB 4.44Å |
| 561 | F | 89.9 | Confident | 86 | Confident | 108 Ų | 108 | 64.3 Ų | 64.3 | 47% | 0.474 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.9 | 170 | 69.1 | -93.4 | 0 | 0 | 0 | 111.5 | Q551 H552 F563 | Q551-F561 WeakPolarHBondContact CA-O 3.17Å; Q551-F561 PolarHBondContact OE1-O 3.02Å; Q551-F561 VanDerWaalsContact OE1-O 3.1Å; H552-F561 HydrophobicContact CB-CD1 4.16Å; H552-F561 HydrophobicContact CB-CD2 4.36Å; H552-F561 HydrophobicContact CB-CE1 3.67Å; H552-F561 HydrophobicContact CB-CE2 3.87Å; H552-F561 HydrophobicContact CB-CG 4.5Å; H552-F561 HydrophobicContact CB-CZ 3.5Å; H552-F561 AromaticContact CG-CE1 3.61Å; H552-F561 AromaticContact CG-CZ 3.6Å; H552-F561 PolarHBondContact N-O 3.1Å; H552-F561 AromaticContact ND1-CE1 3.25Å; H552-F561 WeakPolarHBondContact ND1-CE1 3.36Å; H552-F561 AromaticContact ND1-CZ 3.72Å; H552-F561 PolarHBondContact O-N 2.9Å; F561-F563 HydrophobicContact CE2-CD2 4.23Å; F561-F563 PolarHBondContact O-N 3.46Å |
| 562 | A | 90.1 | Very high | 85.9 | Confident | 43 Ų | 43 | 63.9 Ų | 63.9 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 110.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q551 R564 G565 | Q551-A562 VanDerWaalsContact OE1-N 3.1Å; A562-R564 VanDerWaalsContact C-N 3.32Å; A562-R564 PolarHBondContact O-N 3.01Å; A562-G565 PolarHBondContact O-N 3.38Å; A562-G565 VanDerWaalsContact O-N 3.07Å |
| 563 | F | 88.7 | Confident | 85.7 | Confident | 9 Ų | 9 | 63.5 Ų | 63.5 | 4% | 0.039 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -34.8 | -173.6 | -173.6 | -92.7 | 0 | 0 | 0 | 112.3 | L533 L550 H552 F561 L586 W598 | L533-F563 HydrophobicContact CD2-CB 4.16Å; L533-F563 HydrophobicContact CD2-CD2 3.8Å; L533-F563 HydrophobicContact CD2-CE2 4.4Å; L533-F563 HydrophobicContact CD2-CG 3.96Å; L550-F563 HydrophobicContact CD2-CB 4.15Å; L550-F563 HydrophobicContact CD2-CD1 3.73Å; L550-F563 HydrophobicContact CD2-CG 4.27Å; L550-F563 HydrophobicContact CG-CB 4.01Å; L550-F563 HydrophobicContact CG-CD1 4.49Å; L550-F563 PolarHBondContact O-N 3.24Å; H552-F563 HydrophobicContact CB-CD2 4.29Å; F561-F563 HydrophobicContact CE2-CD2 4.23Å; F561-F563 PolarHBondContact O-N 3.46Å; F563-L586 HydrophobicContact CD1-CD2 4.06Å; F563-L586 HydrophobicContact CE1-CD2 3.63Å; F563-L586 HydrophobicContact CZ-CD2 4.18Å; F563-W598 HydrophobicContact CE1-CB 3.91Å; F563-W598 HydrophobicContact CE1-CD2 4.06Å; F563-W598 AromaticContact CE1-CE3 3.96Å; F563-W598 HydrophobicContact CE1-CE3 3.96Å; F563-W598 HydrophobicContact CE1-CG 4.06Å; F563-W598 HydrophobicContact CZ-CB 4.31Å |
| 564 | R | 88.9 | Confident | 85.7 | Confident | 11 Ų | 11 | 63.8 Ų | 63.8 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 6.5 | 175.1 | -66.3 | 175.8 | 77.4 | -132.1 | -2.9 | 113.1 | L550 A562 E566 R567 E571 E596 W598 | L550-R564 HydrophobicContact CB-CG 4.45Å; L550-R564 HydrophobicContact CD2-CG 4Å; A562-R564 VanDerWaalsContact C-N 3.32Å; A562-R564 PolarHBondContact O-N 3.01Å; R564-E566 PolarHBondContact O-N 3.36Å; R564-R567 HydrophobicContact CB-CB 4.37Å; R564-R567 WeakPolarHBondContact CB-O 3.24Å; R564-R567 VanDerWaalsContact O-CB 3.31Å; R564-R567 WeakPolarHBondContact O-CB 3.26Å; R564-R567 PolarHBondContact O-N 3.32Å; R564-R567 VanDerWaalsContact O-N 3.13Å; R564-E571 IonicContact CZ-OE2 3.03Å; R564-E571 IonicContact NH1-OE2 2.69Å; R564-E571 PolarHBondContact NH1-OE2 2.84Å; R564-E571 IonicContact NH2-OE1 2.61Å; R564-E571 PolarHBondContact NH2-OE1 3.47Å; R564-E571 IonicContact NH2-OE2 3.02Å; R564-E571 PolarHBondContact NH2-OE2 3.29Å; R564-E596 IonicContact CZ-OE1 2.65Å; R564-E596 IonicContact CZ-OE2 2.83Å; R564-E596 IonicContact NE-OE2 2.72Å; R564-E596 PolarHBondContact NE-OE2 3.31Å; R564-E596 VanDerWaalsContact NH2-CD 3.35Å; R564-E596 IonicContact NH2-OE1 3.69Å; R564-E596 PolarHBondContact NH2-OE1 3.46Å; R564-E596 IonicContact NH2-OE2 2.82Å; R564-E596 PolarHBondContact NH2-OE2 3.23Å; R564-E596 VanDerWaalsContact NH2-OE2 3.12Å; R564-W598 HydrophobicContact CB-CH2 4.36Å; R564-W598 HydrophobicContact CB-CZ2 4.44Å; R564-W598 HydrophobicContact CG-CH2 4.12Å; R564-W598 HydrophobicContact CG-CZ2 3.82Å |
| 565 | G | 82.4 | Confident | 85.6 | Confident | 50 Ų | 50 | 65.9 Ų | 65.9 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | -132.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A562 R567 | A562-G565 PolarHBondContact O-N 3.38Å; A562-G565 VanDerWaalsContact O-N 3.07Å; G565-R567 VanDerWaalsContact C-N 3.28Å |
| 566 | E | 70.9 | Confident | 85.6 | Confident | 188 Ų | 188 | 67.3 Ų | 67.3 | 88% | 0.879 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -3.4 | 175.8 | -62.2 | -171.6 | 166 | 0 | 0 | 113.8 | R564 G568 | R564-E566 PolarHBondContact O-N 3.36Å; E566-G568 PolarHBondContact O-N 3.12Å |
| 567 | R | 71 | Confident | 85.9 | Confident | 150 Ų | 150 | 63.6 Ų | 63.6 | 57% | 0.566 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 112.4 | 176.9 | -61.7 | -179.7 | 175.1 | -130.5 | -0.6 | 109.1 | R564 G565 | R564-R567 HydrophobicContact CB-CB 4.37Å; R564-R567 WeakPolarHBondContact CB-O 3.24Å; R564-R567 VanDerWaalsContact O-CB 3.31Å; R564-R567 WeakPolarHBondContact O-CB 3.26Å; R564-R567 PolarHBondContact O-N 3.32Å; R564-R567 VanDerWaalsContact O-N 3.13Å; G565-R567 VanDerWaalsContact C-N 3.28Å |
| 568 | G | 71.3 | Confident | 86.2 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 5% | 0.052 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 154.8 | -6.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R547 N548 E566 | R547-G568 CarbonylContact C-O 3.55Å; R547-G568 WeakPolarHBondContact CA-O 3.42Å; N548-G568 PolarHBondContact N-O 3.47Å; E566-G568 PolarHBondContact O-N 3.12Å |
| 569 | N | 78.8 | Confident | 86.5 | Confident | 95 Ų | 95 | 60.5 Ų | 60.5 | 51% | 0.508 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 139.1 | 171.9 | -65.8 | -25.5 | 0 | 0 | 0 | 110.6 | R547 E571 | R547-N569 WeakPolarHBondContact CD-OD1 3.34Å; R547-N569 WeakPolarHBondContact CG-OD1 3.27Å; R547-N569 PolarHBondContact NE-OD1 2.73Å; N569-E571 PolarHBondContact O-N 3.16Å |
| 570 | D | 82.9 | Confident | 86.7 | Confident | 108 Ų | 108 | 51.5 Ų | 51.5 | 58% | 0.578 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 46.9 | 178 | -61.4 | -44.1 | 0 | 0 | 0 | 114 | N541 L545 V546 | N541-D570 PolarHBondContact ND2-OD1 3.31Å; N541-D570 VanDerWaalsContact ND2-OD1 3.17Å; L545-D570 HydrophobicContact CB-CB 4.4Å; L545-D570 HydrophobicContact CD1-CB 4.11Å; V546-D570 PolarHBondContact O-N 3.34Å |
| 571 | E | 88.8 | Confident | 86.5 | Confident | 31 Ų | 31 | 53.1 Ų | 53.1 | 15% | 0.145 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -115.7 | 159.8 | 175.3 | -69.9 | -168.4 | 140.2 | 0 | 0 | 111.6 | V546 N548 R564 N569 K593 | V546-E571 VanDerWaalsContact CG2-O 3.29Å; V546-E571 WeakPolarHBondContact CG2-O 3.35Å; V546-E571 PolarHBondContact N-O 2.84Å; V546-E571 PolarHBondContact O-N 3.28Å; N548-E571 WeakPolarHBondContact ND2-CB 3.25Å; R564-E571 IonicContact CZ-OE2 3.03Å; R564-E571 IonicContact NH1-OE2 2.69Å; R564-E571 PolarHBondContact NH1-OE2 2.84Å; R564-E571 IonicContact NH2-OE1 2.61Å; R564-E571 PolarHBondContact NH2-OE1 3.47Å; R564-E571 IonicContact NH2-OE2 3.02Å; R564-E571 PolarHBondContact NH2-OE2 3.29Å; N569-E571 PolarHBondContact O-N 3.16Å; E571-K593 IonicContact OE1-NZ 2.7Å; E571-K593 PolarHBondContact OE1-NZ 3.29Å; E571-K593 IonicContact OE2-NZ 3.88Å |
| 572 | P | 89.8 | Confident | 86.3 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 16% | 0.156 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 150.8 | 165.9 | -24.1 | 36.2 | 0 | 0 | 0 | 111.3 | L545 N548 F590 D592 K593 | L545-P572 HydrophobicContact CD2-CG 4.38Å; N548-P572 PolarHBondContact ND2-O 3.27Å; P572-F590 WeakPolarHBondContact O-CD1 3.14Å; P572-D592 HydrophobicContact CB-CB 4.3Å; P572-D592 HydrophobicContact CG-CB 4.38Å; P572-K593 HydrophobicContact CB-CB 4.42Å; P572-K593 HydrophobicContact CG-CB 4Å |
| 573 | P | 90.6 | Very high | 86.2 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 141.9 | -175.3 | 25.6 | -33.8 | 0 | 0 | 0 | 112.7 | T537 V546 E575 F590 R591 | T537-P573 HydrophobicContact CG2-CB 4.33Å; V546-P573 HydrophobicContact CG1-CB 4.48Å; V546-P573 VanDerWaalsContact CG2-CA 3.43Å; V546-P573 HydrophobicContact CG2-CB 3.78Å; P573-E575 PolarHBondContact O-N 2.9Å; P573-F590 WeakPolarHBondContact O-CA 3.49Å; P573-R591 HydrophobicContact CG-CB 4.09Å; P573-R591 PolarHBondContact O-N 3.23Å; P573-R591 VanDerWaalsContact O-N 3.09Å |
| 574 | I | 92.9 | Very high | 86.2 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 123.8 | 166.7 | -64.4 | 170.2 | 0 | 0 | 0 | 108.5 | F535 T537 N548 I577 V588 F590 | F535-I574 HydrophobicContact CD2-CB 3.95Å; F535-I574 HydrophobicContact CD2-CG2 3.61Å; F535-I574 HydrophobicContact CE2-CB 4.13Å; F535-I574 HydrophobicContact CE2-CG2 3.63Å; F535-I574 HydrophobicContact CG-CG2 4.23Å; F535-I574 HydrophobicContact CZ-CG2 4.27Å; T537-I574 HydrophobicContact CG2-CB 4.29Å; N548-I574 HydrophobicContact CB-CD1 3.74Å; N548-I574 HydrophobicContact CB-CG1 4.06Å; N548-I574 PolarHBondContact OD1-N 2.99Å; N548-I574 VanDerWaalsContact OD1-N 3.13Å; I574-I577 HydrophobicContact CG2-CG2 4Å; I574-V588 HydrophobicContact CD1-CG1 4.02Å; I574-V588 HydrophobicContact CG1-CG1 3.97Å; I574-V588 HydrophobicContact CG2-CG1 4.07Å; I574-F590 HydrophobicContact CD1-CE1 4.33Å; I574-F590 HydrophobicContact CG1-CD1 3.84Å; I574-F590 HydrophobicContact CG1-CE1 3.51Å; I574-F590 HydrophobicContact CG1-CZ 4.33Å |
| 575 | E | 89.8 | Confident | 86.4 | Confident | 88 Ų | 88 | 52.1 Ų | 52.1 | 41% | 0.411 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -43.7 | 176.9 | -76.5 | -67.8 | 159 | 0 | 0 | 111.3 | P573 V589 R591 | P573-E575 PolarHBondContact O-N 2.9Å; E575-V589 PolarHBondContact N-O 3.01Å; E575-R591 HydrophobicContact CG-CB 3.95Å; E575-R591 IonicContact OE1-CZ 3.12Å; E575-R591 IonicContact OE1-NE 2.71Å; E575-R591 PolarHBondContact OE1-NE 3.36Å; E575-R591 IonicContact OE1-NH2 3.84Å; E575-R591 PolarHBondContact OE1-NH2 3.45Å |
| 576 | M | 91.6 | Very high | 86.9 | Confident | 37 Ų | 37 | 49.8 Ų | 49.8 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 152.4 | -178.5 | 61.5 | -177 | -56.9 | 0 | 0 | 112.6 | K578 V589 L619 | M576-K578 HydrophobicContact CE-CD 4.11Å; M576-K578 HydrophobicContact CE-CG 3.65Å; M576-V589 HydrophobicContact CG-CB 3.6Å; M576-V589 HydrophobicContact CG-CG1 4.22Å; M576-V589 HydrophobicContact CG-CG2 3.8Å; M576-V589 PolarHBondContact N-O 3.4Å; M576-V589 PolarHBondContact O-N 3.43Å; M576-V589 HydrophobicContact SD-CG2 4.35Å; M576-L619 HydrophobicContact CE-CB 4.08Å; M576-L619 HydrophobicContact SD-CB 4.47Å |
| 577 | I | 94.6 | Very high | 88.1 | Confident | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.3 | 169.1 | 65.1 | 170.7 | 0 | 0 | 0 | 109.8 | E525 L533 F535 L550 I574 L586 V587 V588 | E525-I577 HydrophobicContact CB-CD1 4.3Å; E525-I577 HydrophobicContact CG-CD1 4.45Å; E525-I577 HydrophobicContact CG-CG1 4.16Å; L533-I577 HydrophobicContact CB-CD1 4.27Å; F535-I577 HydrophobicContact CD1-CB 4.47Å; F535-I577 HydrophobicContact CD1-CD1 3.63Å; F535-I577 HydrophobicContact CD1-CG1 3.72Å; F535-I577 HydrophobicContact CD1-CG2 3.99Å; F535-I577 HydrophobicContact CE1-CD1 4.19Å; F535-I577 HydrophobicContact CE1-CG1 3.78Å; F535-I577 HydrophobicContact CE1-CG2 4.27Å; F535-I577 HydrophobicContact CG-CG2 4.36Å; L550-I577 HydrophobicContact CD1-CD1 4.14Å; L550-I577 HydrophobicContact CD1-CG2 4.44Å; I574-I577 HydrophobicContact CG2-CG2 4Å; I577-L586 HydrophobicContact CB-CD1 4.21Å; I577-V587 WeakPolarHBondContact CA-O 3.34Å; I577-V588 HydrophobicContact CG2-CG1 4.34Å; I577-V588 HydrophobicContact CG2-CG2 4.36Å |
| 578 | K | 93.6 | Very high | 89.1 | Confident | 29 Ų | 29 | 33.7 Ų | 33.7 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 115.5 | 178.3 | -71.9 | -72.4 | -176.4 | 159.4 | 0 | 111.3 | M576 V587 L619 E620 W621 | M576-K578 HydrophobicContact CE-CD 4.11Å; M576-K578 HydrophobicContact CE-CG 3.65Å; K578-V587 PolarHBondContact N-O 3.48Å; K578-V587 PolarHBondContact O-N 3.48Å; K578-L619 HydrophobicContact CB-CD2 3.7Å; K578-L619 WeakPolarHBondContact CE-O 3.49Å; K578-L619 HydrophobicContact CG-CD2 3.78Å; K578-E620 IonicContact NZ-OE2 3.33Å; K578-E620 PolarHBondContact NZ-OE2 3.26Å; K578-W621 PolarHBondContact O-NE1 3.16Å |
| 579 | V | 93.4 | Very high | 90.2 | Very high | 14 Ų | 14 | 33.7 Ų | 33.7 | 9% | 0.085 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 134.5 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | E525 V527 L533 K583 L586 I600 | E525-V579 HydrophobicContact CB-CG2 3.78Å; V527-V579 HydrophobicContact CG2-CG2 4.49Å; L533-V579 HydrophobicContact CD1-CG2 4.23Å; V579-K583 HydrophobicContact CG1-CB 4.43Å; V579-K583 HydrophobicContact CG1-CD 3.4Å; V579-K583 VanDerWaalsContact CG1-CD 3.4Å; V579-L586 HydrophobicContact CG2-CD1 3.77Å; V579-I600 HydrophobicContact CB-CD1 4.41Å; V579-I600 HydrophobicContact CG1-CD1 3.61Å; V579-I600 HydrophobicContact CG2-CD1 4.25Å |
| 580 | S | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | trans | -55.8 | 158 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | L582 K583 Q584 Y585 E679 | S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 3.07Å; S580-K583 PolarHBondContact O-N 2.58Å; S580-K583 WeakPolarHBondContact OG-CA 3.45Å; S580-K583 PolarHBondContact OG-N 3.43Å; S580-Q584 PolarHBondContact OG-N 2.75Å; S580-Y585 WeakPolarHBondContact CB-O 3.18Å; S580-Y585 PolarHBondContact N-O 3.42Å; S580-Y585 PolarHBondContact OG-N 2.85Å; S580-Y585 PolarHBondContact OG-O 2.85Å; S580-E679 WeakPolarHBondContact CB-OE2 3.46Å; S580-E679 PolarHBondContact OG-OE2 2.97Å | ||
| 581 | H | 85.8 | Confident | 91 | Very high | 92 Ų | 92 | 31.4 Ų | 31.4 | 43% | 0.426 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -39.6 | -177.1 | -171.9 | 76.7 | 0 | 0 | 0 | 111.8 | K583 H625 E679 | H581-K583 VanDerWaalsContact C-N 3.31Å; H581-H625 AromaticContact CD2-ND1 3.92Å; H581-E679 PolarHBondContact N-OE1 3Å; H581-E679 VanDerWaalsContact N-OE1 3.16Å |
| 582 | L | 85.6 | Confident | 90.7 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 26% | 0.262 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.6 | 176 | -61 | 178.3 | 0 | 0 | 0 | 113.9 | S580 Q584 H625 A677 E679 | S580-L582 VanDerWaalsContact C-N 3.31Å; S580-L582 PolarHBondContact O-N 3.07Å; L582-Q584 HydrophobicContact CB-CG 3.9Å; L582-Q584 PolarHBondContact O-N 3.18Å; L582-H625 HydrophobicContact CD1-CB 4.06Å; L582-A677 HydrophobicContact CD1-CB 3.5Å; L582-A677 VanDerWaalsContact CD1-CB 3.5Å; L582-E679 WeakPolarHBondContact CB-OE1 3.26Å; L582-E679 HydrophobicContact CD1-CG 3.92Å; L582-E679 HydrophobicContact CG-CG 4.28Å; L582-E679 WeakPolarHBondContact CG-OE1 3.13Å; L582-E679 PolarHBondContact N-OE1 3.37Å |
| 583 | K | 88.6 | Confident | 90.6 | Very high | 75 Ų | 75 | 36.8 Ų | 36.8 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 59.7 | 28 | 178.1 | -48 | -62.6 | -177.4 | 174.9 | 0 | 113.6 | W526 V527 V579 S580 H581 | W526-K583 PolarHBondContact O-NZ 2.67Å; V527-K583 WeakPolarHBondContact O-CG 3.35Å; V579-K583 HydrophobicContact CG1-CB 4.43Å; V579-K583 HydrophobicContact CG1-CD 3.4Å; V579-K583 VanDerWaalsContact CG1-CD 3.4Å; S580-K583 PolarHBondContact O-N 2.58Å; S580-K583 WeakPolarHBondContact OG-CA 3.45Å; S580-K583 PolarHBondContact OG-N 3.43Å; H581-K583 VanDerWaalsContact C-N 3.31Å |
| 584 | Q | 87.7 | Confident | 90.5 | Very high | 25 Ų | 25 | 37.1 Ų | 37.1 | 12% | 0.117 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -91 | -40.6 | 179.2 | -53.8 | -165.8 | -57.5 | 0 | 0 | 112 | S580 L582 I600 A677 | S580-Q584 PolarHBondContact OG-N 2.75Å; L582-Q584 HydrophobicContact CB-CG 3.9Å; L582-Q584 PolarHBondContact O-N 3.18Å; Q584-I600 PolarHBondContact O-N 3.22Å; Q584-A677 PolarHBondContact OE1-O 3.42Å |
| 585 | Y | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 153.9 | -173.9 | -53.1 | -69.8 | 0 | 0 | 0 | 113.2 | S580 W598 I600 L606 W621 S676 E679 V695 G697 | S580-Y585 WeakPolarHBondContact CB-O 3.18Å; S580-Y585 PolarHBondContact N-O 3.42Å; S580-Y585 PolarHBondContact OG-N 2.85Å; S580-Y585 PolarHBondContact OG-O 2.85Å; Y585-W598 CarbonylContact C-O 3.51Å; Y585-W598 VanDerWaalsContact CA-O 3.29Å; Y585-W598 WeakPolarHBondContact CA-O 3.2Å; Y585-I600 VanDerWaalsContact C-CD1 3.42Å; Y585-I600 WeakPolarHBondContact O-CD1 3.33Å; Y585-L606 HydrophobicContact CD1-CD1 3.45Å; Y585-L606 VanDerWaalsContact CD1-CD1 3.45Å; Y585-L606 HydrophobicContact CE1-CD1 3.48Å; Y585-L606 VanDerWaalsContact CE1-CD1 3.48Å; Y585-W621 HydrophobicContact CD2-CH2 4.25Å; Y585-W621 HydrophobicContact CG-CH2 4.36Å; Y585-S676 WeakPolarHBondContact OH-CB 3.41Å; Y585-S676 PolarHBondContact OH-OG 3.31Å; Y585-E679 WeakPolarHBondContact CD2-OE2 3.4Å; Y585-V695 HydrophobicContact CD1-CG1 4.15Å; Y585-V695 HydrophobicContact CD2-CG1 3.98Å; Y585-V695 HydrophobicContact CE1-CG1 3.95Å; Y585-V695 HydrophobicContact CE2-CG1 3.8Å; Y585-V695 HydrophobicContact CG-CG1 4.13Å; Y585-G697 WeakPolarHBondContact OH-CA 3.33Å; Y585-G697 PolarHBondContact OH-N 3.35Å; Y585-G697 PolarHBondContact OH-O 3.39Å |
| 586 | L | 94.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.5 | 172.8 | 176.6 | 72.4 | 0 | 0 | 0 | 109.7 | L533 L550 F563 I577 V579 V588 W598 I600 | L533-L586 HydrophobicContact CD1-CD1 3.94Å; L533-L586 HydrophobicContact CD1-CD2 3.86Å; L533-L586 HydrophobicContact CD1-CG 4.44Å; L550-L586 HydrophobicContact CD2-CD2 3.97Å; F563-L586 HydrophobicContact CD1-CD2 4.06Å; F563-L586 HydrophobicContact CE1-CD2 3.63Å; F563-L586 HydrophobicContact CZ-CD2 4.18Å; I577-L586 HydrophobicContact CB-CD1 4.21Å; V579-L586 HydrophobicContact CG2-CD1 3.77Å; L586-V588 HydrophobicContact CD2-CG2 3.97Å; L586-V588 HydrophobicContact CG-CG2 4.16Å; L586-W598 HydrophobicContact CB-CB 4.28Å; L586-W598 PolarHBondContact N-O 3.06Å; L586-W598 PolarHBondContact O-N 2.98Å; L586-I600 HydrophobicContact CB-CD1 3.94Å; L586-I600 HydrophobicContact CB-CG1 3.66Å |
| 587 | V | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.8 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | I577 K578 V589 L595 E596 L597 L619 W621 | I577-V587 WeakPolarHBondContact CA-O 3.34Å; K578-V587 PolarHBondContact N-O 3.48Å; K578-V587 PolarHBondContact O-N 3.48Å; V587-V589 HydrophobicContact CG1-CG2 3.97Å; V587-L595 HydrophobicContact CG1-CB 4.28Å; V587-L595 HydrophobicContact CG1-CD1 3.97Å; V587-L595 HydrophobicContact CG1-CG 4.5Å; V587-E596 WeakPolarHBondContact CA-O 3.47Å; V587-L597 HydrophobicContact CG2-CD1 3.71Å; V587-L619 HydrophobicContact CB-CD1 4.46Å; V587-L619 HydrophobicContact CB-CD2 4.48Å; V587-L619 HydrophobicContact CG1-CD1 3.86Å; V587-L619 HydrophobicContact CG2-CD2 4.49Å; V587-W621 HydrophobicContact CG2-CZ2 3.7Å |
| 588 | V | 94 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122 | 172.7 | -174.2 | 0 | 0 | 0 | 0 | 108.3 | L550 I574 I577 L586 F590 L595 E596 | L550-V588 HydrophobicContact CD2-CG2 4.22Å; I574-V588 HydrophobicContact CD1-CG1 4.02Å; I574-V588 HydrophobicContact CG1-CG1 3.97Å; I574-V588 HydrophobicContact CG2-CG1 4.07Å; I577-V588 HydrophobicContact CG2-CG1 4.34Å; I577-V588 HydrophobicContact CG2-CG2 4.36Å; L586-V588 HydrophobicContact CD2-CG2 3.97Å; L586-V588 HydrophobicContact CG-CG2 4.16Å; V588-F590 HydrophobicContact CB-CE2 4.34Å; V588-F590 HydrophobicContact CB-CZ 4.41Å; V588-F590 HydrophobicContact CG1-CE1 4.19Å; V588-F590 HydrophobicContact CG1-CE2 3.88Å; V588-F590 HydrophobicContact CG1-CZ 3.61Å; V588-L595 WeakPolarHBondContact O-CA 3.47Å; V588-E596 HydrophobicContact CB-CB 4.42Å; V588-E596 PolarHBondContact N-O 3.02Å; V588-E596 PolarHBondContact O-N 2.89Å |
| 589 | V | 93.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 30.6 Ų | 30.6 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 136.8 | -178.7 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | E575 M576 V587 L595 V616 L619 | E575-V589 PolarHBondContact N-O 3.01Å; M576-V589 HydrophobicContact CG-CB 3.6Å; M576-V589 HydrophobicContact CG-CG1 4.22Å; M576-V589 HydrophobicContact CG-CG2 3.8Å; M576-V589 PolarHBondContact N-O 3.4Å; M576-V589 PolarHBondContact O-N 3.43Å; M576-V589 HydrophobicContact SD-CG2 4.35Å; V587-V589 HydrophobicContact CG1-CG2 3.97Å; V589-L595 HydrophobicContact CG2-CB 4.26Å; V589-V616 HydrophobicContact CG1-CB 3.92Å; V589-V616 HydrophobicContact CG1-CG1 4.32Å; V589-V616 HydrophobicContact CG2-CG1 4.43Å; V589-L619 HydrophobicContact CG2-CD1 4.48Å |
| 590 | F | 91.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 4% | 0.039 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 158.9 | 179.6 | -55.2 | -91.3 | 0 | 0 | 0 | 110.3 | P572 P573 I574 V588 K593 E596 | P572-F590 WeakPolarHBondContact O-CD1 3.14Å; P573-F590 WeakPolarHBondContact O-CA 3.49Å; I574-F590 HydrophobicContact CD1-CE1 4.33Å; I574-F590 HydrophobicContact CG1-CD1 3.84Å; I574-F590 HydrophobicContact CG1-CE1 3.51Å; I574-F590 HydrophobicContact CG1-CZ 4.33Å; V588-F590 HydrophobicContact CB-CE2 4.34Å; V588-F590 HydrophobicContact CB-CZ 4.41Å; V588-F590 HydrophobicContact CG1-CE1 4.19Å; V588-F590 HydrophobicContact CG1-CE2 3.88Å; V588-F590 HydrophobicContact CG1-CZ 3.61Å; F590-K593 HydrophobicContact CB-CB 3.7Å; F590-K593 HydrophobicContact CD1-CD 4.42Å; F590-K593 HydrophobicContact CD2-CB 4.19Å; F590-K593 HydrophobicContact CD2-CD 4.01Å; F590-K593 HydrophobicContact CD2-CG 4.14Å; F590-K593 HydrophobicContact CE2-CD 4.2Å; F590-K593 HydrophobicContact CG-CB 3.98Å; F590-K593 HydrophobicContact CG-CD 4.15Å; F590-K593 HydrophobicContact CG-CG 4.35Å; F590-K593 HydrophobicContact CZ-CD 4.48Å; F590-E596 HydrophobicContact CE2-CB 4.35Å; F590-E596 HydrophobicContact CE2-CG 3.84Å; F590-E596 HydrophobicContact CZ-CG 4.44Å |
| 591 | R | 86.6 | Confident | 89.8 | Confident | 147 Ų | 147 | 37.3 Ų | 37.3 | 56% | 0.555 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -62.5 | -50.4 | 178.6 | -173.3 | 175.5 | -70.8 | 179.8 | -3.3 | 113.1 | P573 E575 | P573-R591 HydrophobicContact CG-CB 4.09Å; P573-R591 PolarHBondContact O-N 3.23Å; P573-R591 VanDerWaalsContact O-N 3.09Å; E575-R591 HydrophobicContact CG-CB 3.95Å; E575-R591 IonicContact OE1-CZ 3.12Å; E575-R591 IonicContact OE1-NE 2.71Å; E575-R591 PolarHBondContact OE1-NE 3.36Å; E575-R591 IonicContact OE1-NH2 3.84Å; E575-R591 PolarHBondContact OE1-NH2 3.45Å |
| 592 | D | 82.9 | Confident | 89.6 | Confident | 131 Ų | 131 | 35.6 Ų | 35.6 | 70% | 0.701 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -128.3 | 22.7 | -172.4 | -58.8 | -54.4 | 0 | 0 | 0 | 112.8 | P572 | P572-D592 HydrophobicContact CB-CB 4.3Å; P572-D592 HydrophobicContact CG-CB 4.38Å |
| 593 | K | 87.3 | Confident | 89.5 | Confident | 37 Ų | 37 | 34.4 Ų | 34.4 | 16% | 0.161 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -131.3 | 144.5 | 177.4 | 176.4 | -173.9 | 176 | -165.6 | 0 | 109.8 | E571 P572 F590 E596 E608 | E571-K593 IonicContact OE1-NZ 2.7Å; E571-K593 PolarHBondContact OE1-NZ 3.29Å; E571-K593 IonicContact OE2-NZ 3.88Å; P572-K593 HydrophobicContact CB-CB 4.42Å; P572-K593 HydrophobicContact CG-CB 4Å; F590-K593 HydrophobicContact CB-CB 3.7Å; F590-K593 HydrophobicContact CD1-CD 4.42Å; F590-K593 HydrophobicContact CD2-CB 4.19Å; F590-K593 HydrophobicContact CD2-CD 4.01Å; F590-K593 HydrophobicContact CD2-CG 4.14Å; F590-K593 HydrophobicContact CE2-CD 4.2Å; F590-K593 HydrophobicContact CG-CB 3.98Å; F590-K593 HydrophobicContact CG-CD 4.15Å; F590-K593 HydrophobicContact CG-CG 4.35Å; F590-K593 HydrophobicContact CZ-CD 4.48Å; K593-E596 IonicContact NZ-OE1 2.68Å; K593-E596 PolarHBondContact NZ-OE1 3.48Å; K593-E608 WeakPolarHBondContact CE-OE1 3.41Å |
| 594 | P | 88.4 | Confident | 89.5 | Confident | 25 Ų | 25 | 34.1 Ų | 34.1 | 16% | 0.162 | 17% | 0.169 | C | C | . | . | trans | -56.1 | 147.9 | 175.4 | -24.8 | 35.1 | 0 | 0 | 0 | 112.4 | M609 A610 K611 | P594-M609 HydrophobicContact CB-CB 4.07Å; P594-M609 WeakPolarHBondContact CB-O 3.43Å; P594-M609 WeakPolarHBondContact CG-O 3.43Å; P594-A610 WeakPolarHBondContact CG-O 3.25Å; P594-K611 HydrophobicContact CG-CG 4.38Å | ||
| 595 | L | 91.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -64.1 | 149.3 | 178.4 | 71.1 | 87.6 | 0 | 0 | 0 | 111.8 | V587 V588 V589 M609 F613 V616 | V587-L595 HydrophobicContact CG1-CB 4.28Å; V587-L595 HydrophobicContact CG1-CD1 3.97Å; V587-L595 HydrophobicContact CG1-CG 4.5Å; V588-L595 WeakPolarHBondContact O-CA 3.47Å; V589-L595 HydrophobicContact CG2-CB 4.26Å; L595-M609 HydrophobicContact CD1-CG 3.49Å; L595-M609 VanDerWaalsContact CD1-CG 3.49Å; L595-M609 HydrophobicContact CD1-SD 4.49Å; L595-M609 HydrophobicContact CD2-CG 4.39Å; L595-M609 HydrophobicContact CG-CB 4.36Å; L595-M609 HydrophobicContact CG-CG 3.6Å; L595-M609 PolarHBondContact O-N 3.49Å; L595-M609 VanDerWaalsContact O-N 3.1Å; L595-F613 HydrophobicContact CD2-CD1 4.21Å; L595-F613 HydrophobicContact CD2-CE1 3.44Å; L595-F613 VanDerWaalsContact CD2-CE1 3.44Å; L595-F613 HydrophobicContact CD2-CZ 4.02Å; L595-F613 HydrophobicContact CG-CE1 4.21Å; L595-V616 HydrophobicContact CD2-CG2 3.8Å | ||
| 596 | E | 92.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136 | 174.5 | -68.9 | 174.7 | -179.2 | 0 | 0 | 110.5 | R564 V587 V588 F590 K593 W598 L605 E608 | R564-E596 IonicContact CZ-OE1 2.65Å; R564-E596 IonicContact CZ-OE2 2.83Å; R564-E596 IonicContact NE-OE2 2.72Å; R564-E596 PolarHBondContact NE-OE2 3.31Å; R564-E596 VanDerWaalsContact NH2-CD 3.35Å; R564-E596 IonicContact NH2-OE1 3.69Å; R564-E596 PolarHBondContact NH2-OE1 3.46Å; R564-E596 IonicContact NH2-OE2 2.82Å; R564-E596 PolarHBondContact NH2-OE2 3.23Å; R564-E596 VanDerWaalsContact NH2-OE2 3.12Å; V587-E596 WeakPolarHBondContact CA-O 3.47Å; V588-E596 HydrophobicContact CB-CB 4.42Å; V588-E596 PolarHBondContact N-O 3.02Å; V588-E596 PolarHBondContact O-N 2.89Å; F590-E596 HydrophobicContact CE2-CB 4.35Å; F590-E596 HydrophobicContact CE2-CG 3.84Å; F590-E596 HydrophobicContact CZ-CG 4.44Å; K593-E596 IonicContact NZ-OE1 2.68Å; K593-E596 PolarHBondContact NZ-OE1 3.48Å; E596-W598 VanDerWaalsContact CB-NE1 3.35Å; E596-W598 WeakPolarHBondContact OE2-CZ2 3.39Å; E596-W598 PolarHBondContact OE2-NE1 3.4Å; E596-L605 HydrophobicContact CB-CD1 3.81Å; E596-L605 HydrophobicContact CG-CD1 4.07Å; E596-E608 HydrophobicContact CG-CG 4.39Å |
| 597 | L | 92.9 | Very high | 89.1 | Confident | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 125.7 | 173.4 | -177.4 | 72.4 | 0 | 0 | 0 | 110 | V587 L606 R607 W621 V695 V700 | V587-L597 HydrophobicContact CG2-CD1 3.71Å; L597-L606 HydrophobicContact CD2-CB 4.45Å; L597-L606 HydrophobicContact CD2-CD1 4.34Å; L597-L606 HydrophobicContact CG-CB 4.45Å; L597-L606 HydrophobicContact CG-CD1 4.3Å; L597-L606 WeakPolarHBondContact O-CA 3.47Å; L597-L606 WeakPolarHBondContact O-CB 3.43Å; L597-L606 PolarHBondContact O-N 3.34Å; L597-R607 PolarHBondContact N-O 3.08Å; L597-R607 PolarHBondContact O-N 3.33Å; L597-W621 HydrophobicContact CD1-CH2 4.29Å; L597-W621 HydrophobicContact CD1-CZ2 4.28Å; L597-V695 HydrophobicContact CD2-CG1 3.88Å; L597-V695 HydrophobicContact CD2-CG2 3.87Å; L597-V700 HydrophobicContact CD2-CG2 3.41Å; L597-V700 VanDerWaalsContact CD2-CG2 3.41Å |
| 598 | W | 92.9 | Very high | 88.8 | Confident | 11 Ų | 11 | 46 Ų | 46 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.1 | -175.2 | -66.5 | 77.8 | 0 | 0 | 0 | 111.7 | F563 R564 Y585 L586 E596 G603 T604 L605 | F563-W598 HydrophobicContact CE1-CB 3.91Å; F563-W598 HydrophobicContact CE1-CD2 4.06Å; F563-W598 AromaticContact CE1-CE3 3.96Å; F563-W598 HydrophobicContact CE1-CE3 3.96Å; F563-W598 HydrophobicContact CE1-CG 4.06Å; F563-W598 HydrophobicContact CZ-CB 4.31Å; R564-W598 HydrophobicContact CB-CH2 4.36Å; R564-W598 HydrophobicContact CB-CZ2 4.44Å; R564-W598 HydrophobicContact CG-CH2 4.12Å; R564-W598 HydrophobicContact CG-CZ2 3.82Å; Y585-W598 CarbonylContact C-O 3.51Å; Y585-W598 VanDerWaalsContact CA-O 3.29Å; Y585-W598 WeakPolarHBondContact CA-O 3.2Å; L586-W598 HydrophobicContact CB-CB 4.28Å; L586-W598 PolarHBondContact N-O 3.06Å; L586-W598 PolarHBondContact O-N 2.98Å; E596-W598 VanDerWaalsContact CB-NE1 3.35Å; E596-W598 WeakPolarHBondContact OE2-CZ2 3.39Å; E596-W598 PolarHBondContact OE2-NE1 3.4Å; W598-G603 WeakPolarHBondContact CZ3-O 3.32Å; W598-T604 WeakPolarHBondContact CA-O 3.48Å; W598-T604 VanDerWaalsContact CE3-C 3.45Å; W598-L605 HydrophobicContact CD2-CB 4.08Å; W598-L605 HydrophobicContact CD2-CD1 4.05Å; W598-L605 HydrophobicContact CE3-CB 4.01Å; W598-L605 VanDerWaalsContact CE3-N 3.28Å; W598-L605 HydrophobicContact CG-CD1 4.28Å; W598-L605 HydrophobicContact CH2-CB 3.88Å; W598-L605 HydrophobicContact CZ2-CB 3.95Å; W598-L605 HydrophobicContact CZ2-CD1 3.89Å; W598-L605 HydrophobicContact CZ2-CG 4.36Å; W598-L605 HydrophobicContact CZ3-CB 3.92Å |
| 599 | D | 89.9 | Confident | 88.5 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.059 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.8 | 164.3 | -173 | -36.3 | 0 | 0 | 0 | 108.9 | R601 T602 G603 T604 L606 | D599-R601 WeakPolarHBondContact OD1-CB 3.29Å; D599-R601 PolarHBondContact OD1-N 2.88Å; D599-T602 WeakPolarHBondContact CB-OG1 3.46Å; D599-T602 PolarHBondContact OD1-N 3.49Å; D599-G603 VanDerWaalsContact O-CA 3.25Å; D599-G603 WeakPolarHBondContact O-CA 3.34Å; D599-G603 PolarHBondContact O-N 3.38Å; D599-T604 PolarHBondContact N-O 3.13Å; D599-T604 PolarHBondContact O-N 3.44Å; D599-L606 HydrophobicContact CB-CD1 4.11Å; D599-L606 HydrophobicContact CB-CD2 4.13Å; D599-L606 HydrophobicContact CB-CG 4.13Å |
| 600 | I | 89.1 | Confident | 88.1 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.082 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -34.2 | -176.8 | -66.6 | 173.7 | 0 | 0 | 0 | 111.7 | V527 V579 Q584 Y585 L586 | V527-I600 HydrophobicContact CG1-CG2 3.5Å; V527-I600 HydrophobicContact CG2-CG2 4.23Å; V579-I600 HydrophobicContact CB-CD1 4.41Å; V579-I600 HydrophobicContact CG1-CD1 3.61Å; V579-I600 HydrophobicContact CG2-CD1 4.25Å; Q584-I600 PolarHBondContact O-N 3.22Å; Y585-I600 VanDerWaalsContact C-CD1 3.42Å; Y585-I600 WeakPolarHBondContact O-CD1 3.33Å; L586-I600 HydrophobicContact CB-CD1 3.94Å; L586-I600 HydrophobicContact CB-CG1 3.66Å |
| 601 | R | 83.3 | Confident | 87.6 | Confident | 140 Ų | 140 | 58.8 Ų | 58.8 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -40.6 | -174.4 | -168.3 | -171 | -49.3 | 124.8 | 13.3 | 111.1 | D599 | D599-R601 WeakPolarHBondContact OD1-CB 3.29Å; D599-R601 PolarHBondContact OD1-N 2.88Å |
| 602 | T | 82.3 | Confident | 87.2 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -17.1 | -178.1 | 57.9 | 0 | 0 | 0 | 0 | 113 | D599 T604 | D599-T602 WeakPolarHBondContact CB-OG1 3.46Å; D599-T602 PolarHBondContact OD1-N 3.49Å; T602-T604 PolarHBondContact O-N 2.91Å; T602-T604 PolarHBondContact OG1-N 3.01Å; T602-T604 PolarHBondContact OG1-OG1 3.49Å |
| 603 | G | 84.4 | Confident | 87.2 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 25% | 0.247 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 23 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | W598 D599 | W598-G603 WeakPolarHBondContact CZ3-O 3.32Å; D599-G603 VanDerWaalsContact O-CA 3.25Å; D599-G603 WeakPolarHBondContact O-CA 3.34Å; D599-G603 PolarHBondContact O-N 3.38Å |
| 604 | T | 88 | Confident | 87.1 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 138.1 | -176 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | W598 D599 T602 L606 | W598-T604 WeakPolarHBondContact CA-O 3.48Å; W598-T604 VanDerWaalsContact CE3-C 3.45Å; D599-T604 PolarHBondContact N-O 3.13Å; D599-T604 PolarHBondContact O-N 3.44Å; T602-T604 PolarHBondContact O-N 2.91Å; T602-T604 PolarHBondContact OG1-N 3.01Å; T602-T604 PolarHBondContact OG1-OG1 3.49Å; T604-L606 PolarHBondContact O-N 2.98Å |
| 605 | L | 90.2 | Very high | 86.9 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 29% | 0.288 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 120.1 | 171.5 | 179.2 | 68.2 | 0 | 0 | 0 | 109.7 | E596 W598 | E596-L605 HydrophobicContact CB-CD1 3.81Å; E596-L605 HydrophobicContact CG-CD1 4.07Å; W598-L605 HydrophobicContact CD2-CB 4.08Å; W598-L605 HydrophobicContact CD2-CD1 4.05Å; W598-L605 HydrophobicContact CE3-CB 4.01Å; W598-L605 VanDerWaalsContact CE3-N 3.28Å; W598-L605 HydrophobicContact CG-CD1 4.28Å; W598-L605 HydrophobicContact CH2-CB 3.88Å; W598-L605 HydrophobicContact CZ2-CB 3.95Å; W598-L605 HydrophobicContact CZ2-CD1 3.89Å; W598-L605 HydrophobicContact CZ2-CG 4.36Å; W598-L605 HydrophobicContact CZ3-CB 3.92Å |
| 606 | L | 87.6 | Confident | 86.9 | Confident | 32 Ų | 32 | 56.4 Ų | 56.4 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -44.4 | 178.3 | -63.1 | 175.1 | 0 | 0 | 0 | 111.8 | Y585 L597 D599 T604 N698 | Y585-L606 HydrophobicContact CD1-CD1 3.45Å; Y585-L606 VanDerWaalsContact CD1-CD1 3.45Å; Y585-L606 HydrophobicContact CE1-CD1 3.48Å; Y585-L606 VanDerWaalsContact CE1-CD1 3.48Å; L597-L606 HydrophobicContact CD2-CB 4.45Å; L597-L606 HydrophobicContact CD2-CD1 4.34Å; L597-L606 HydrophobicContact CG-CB 4.45Å; L597-L606 HydrophobicContact CG-CD1 4.3Å; L597-L606 WeakPolarHBondContact O-CA 3.47Å; L597-L606 WeakPolarHBondContact O-CB 3.43Å; L597-L606 PolarHBondContact O-N 3.34Å; D599-L606 HydrophobicContact CB-CD1 4.11Å; D599-L606 HydrophobicContact CB-CD2 4.13Å; D599-L606 HydrophobicContact CB-CG 4.13Å; T604-L606 PolarHBondContact O-N 2.98Å; L606-N698 VanDerWaalsContact CD2-OD1 3.32Å; L606-N698 WeakPolarHBondContact CD2-OD1 3.18Å |
| 607 | R | 87.5 | Confident | 86.7 | Confident | 95 Ų | 95 | 58.2 Ų | 58.2 | 36% | 0.358 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.8 | 135.1 | -178.5 | -173.3 | 170.9 | -71 | -170.4 | 2 | 111.6 | L597 M609 V700 | L597-R607 PolarHBondContact N-O 3.08Å; L597-R607 PolarHBondContact O-N 3.33Å; R607-M609 HydrophobicContact CG-SD 4.07Å; R607-V700 HydrophobicContact CB-CG2 4.48Å; R607-V700 PolarHBondContact NH1-O 3.26Å |
| 608 | E | 89.4 | Confident | 86.6 | Confident | 94 Ų | 94 | 58.2 Ų | 58.2 | 44% | 0.439 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 129.6 | 160.9 | -174.6 | 175.3 | -179.4 | 0 | 0 | 107.7 | K593 E596 | K593-E608 WeakPolarHBondContact CE-OE1 3.41Å; E596-E608 HydrophobicContact CG-CG 4.39Å |
| 609 | M | 87.8 | Confident | 86.6 | Confident | 20 Ų | 20 | 57.8 Ų | 57.8 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 159.3 | -178.2 | -59.6 | -58.2 | -88.9 | 0 | 0 | 111.3 | P594 L595 R607 F613 I693 | P594-M609 HydrophobicContact CB-CB 4.07Å; P594-M609 WeakPolarHBondContact CB-O 3.43Å; P594-M609 WeakPolarHBondContact CG-O 3.43Å; L595-M609 HydrophobicContact CD1-CG 3.49Å; L595-M609 VanDerWaalsContact CD1-CG 3.49Å; L595-M609 HydrophobicContact CD1-SD 4.49Å; L595-M609 HydrophobicContact CD2-CG 4.39Å; L595-M609 HydrophobicContact CG-CB 4.36Å; L595-M609 HydrophobicContact CG-CG 3.6Å; L595-M609 PolarHBondContact O-N 3.49Å; L595-M609 VanDerWaalsContact O-N 3.1Å; R607-M609 HydrophobicContact CG-SD 4.07Å; M609-F613 HydrophobicContact CB-CB 4.03Å; M609-F613 HydrophobicContact CB-CD1 4.22Å; M609-F613 HydrophobicContact CB-CD2 4.01Å; M609-F613 HydrophobicContact CB-CG 3.81Å; M609-F613 HydrophobicContact CE-CD2 3.61Å; M609-F613 HydrophobicContact CE-CE2 3.11Å; M609-F613 HydrophobicContact CE-CZ 3.67Å; M609-F613 HydrophobicContact CG-CD2 4.32Å; M609-F613 HydrophobicContact CG-CE2 4.37Å; M609-F613 HydrophobicContact CG-CG 4.39Å; M609-F613 HydrophobicContact CG-CZ 4.45Å; M609-I693 HydrophobicContact CE-CD1 4.09Å |
| 610 | A | 85.1 | Confident | 86.9 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 50% | 0.496 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 155.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P594 S612 F613 | P594-A610 WeakPolarHBondContact CG-O 3.25Å; A610-S612 PolarHBondContact O-N 3.15Å; A610-F613 WeakPolarHBondContact O-CB 3.39Å; A610-F613 PolarHBondContact O-N 2.9Å |
| 611 | K | 79.1 | Confident | 87 | Confident | 202 Ų | 202 | 58.5 Ų | 58.5 | 88% | 0.878 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.3 | 175.3 | -70.4 | -173.3 | 178.2 | -176.1 | 0 | 114.2 | P594 F613 | P594-K611 HydrophobicContact CG-CG 4.38Å; K611-F613 PolarHBondContact O-N 3.19Å |
| 612 | S | 79.3 | Confident | 87.3 | Confident | 112 Ų | 112 | 51.9 Ų | 51.9 | 78% | 0.783 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 5.6 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 113.3 | A610 | A610-S612 PolarHBondContact O-N 3.15Š|
| 613 | F | 82.7 | Confident | 87.2 | Confident | 40 Ų | 40 | 50.6 Ų | 50.6 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -71.9 | 138 | 179.4 | -165 | -98.2 | 0 | 0 | 0 | 110.1 | L595 M609 A610 K611 V616 F683 I693 | L595-F613 HydrophobicContact CD2-CD1 4.21Å; L595-F613 HydrophobicContact CD2-CE1 3.44Å; L595-F613 VanDerWaalsContact CD2-CE1 3.44Å; L595-F613 HydrophobicContact CD2-CZ 4.02Å; L595-F613 HydrophobicContact CG-CE1 4.21Å; M609-F613 HydrophobicContact CB-CB 4.03Å; M609-F613 HydrophobicContact CB-CD1 4.22Å; M609-F613 HydrophobicContact CB-CD2 4.01Å; M609-F613 HydrophobicContact CB-CG 3.81Å; M609-F613 HydrophobicContact CE-CD2 3.61Å; M609-F613 HydrophobicContact CE-CE2 3.11Å; M609-F613 HydrophobicContact CE-CZ 3.67Å; M609-F613 HydrophobicContact CG-CD2 4.32Å; M609-F613 HydrophobicContact CG-CE2 4.37Å; M609-F613 HydrophobicContact CG-CG 4.39Å; M609-F613 HydrophobicContact CG-CZ 4.45Å; A610-F613 WeakPolarHBondContact O-CB 3.39Å; A610-F613 PolarHBondContact O-N 2.9Å; K611-F613 PolarHBondContact O-N 3.19Å; F613-V616 HydrophobicContact CE1-CG2 4.07Å; F613-F683 HydrophobicContact CE1-CE1 4.08Å; F613-F683 AromaticContact CE1-CE2 3.92Å; F613-F683 HydrophobicContact CE1-CE2 3.92Å; F613-F683 AromaticContact CE1-CZ 3.56Å; F613-F683 HydrophobicContact CE1-CZ 3.56Å; F613-F683 HydrophobicContact CE2-CE1 4.41Å; F613-F683 HydrophobicContact CE2-CZ 4.07Å; F613-F683 HydrophobicContact CZ-CD1 4.47Å; F613-F683 AromaticContact CZ-CE1 3.48Å; F613-F683 HydrophobicContact CZ-CE1 3.48Å; F613-F683 VanDerWaalsContact CZ-CE1 3.48Å; F613-F683 HydrophobicContact CZ-CE2 4.05Å; F613-F683 AromaticContact CZ-CZ 3.21Å; F613-F683 HydrophobicContact CZ-CZ 3.21Å; F613-I693 HydrophobicContact CE2-CD1 4.3Å; F613-I693 HydrophobicContact CZ-CD1 3.93Å |
| 614 | P | 84.4 | Confident | 86.8 | Confident | 39 Ų | 39 | 52.8 Ų | 52.8 | 25% | 0.253 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 147.9 | 180 | -22.9 | 32.3 | 0 | 0 | 0 | 112.5 | V616 F683 D685 Y691 | P614-V616 PolarHBondContact O-N 3Å; P614-F683 HydrophobicContact CB-CE2 4.41Å; P614-D685 HydrophobicContact CB-CB 3.89Å; P614-Y691 HydrophobicContact CB-CE2 4.44Å; P614-Y691 HydrophobicContact CG-CE1 4.09Å; P614-Y691 HydrophobicContact CG-CE2 4.29Å |
| 615 | T | 85.9 | Confident | 86.1 | Confident | 76 Ų | 76 | 52.5 Ų | 52.5 | 47% | 0.466 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 124.9 | 173.7 | 44.4 | 0 | 0 | 0 | 0 | 109.5 | D685 T686 | T615-D685 VanDerWaalsContact O-CA 3.29Å; T615-D685 WeakPolarHBondContact O-CA 3.06Å; T615-T686 WeakPolarHBondContact OG1-CG2 3.39Å |
| 616 | V | 90.3 | Very high | 85 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 17% | 0.17 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 120.1 | -175.8 | 178.5 | 0 | 0 | 0 | 0 | 110 | V589 L595 F613 P614 L619 F683 | V589-V616 HydrophobicContact CG1-CB 3.92Å; V589-V616 HydrophobicContact CG1-CG1 4.32Å; V589-V616 HydrophobicContact CG2-CG1 4.43Å; L595-V616 HydrophobicContact CD2-CG2 3.8Å; F613-V616 HydrophobicContact CE1-CG2 4.07Å; P614-V616 PolarHBondContact O-N 3Å; V616-L619 HydrophobicContact CG1-CB 4.12Å; V616-L619 HydrophobicContact CG1-CD1 4.43Å; V616-F683 HydrophobicContact CB-CD2 4.38Å; V616-F683 HydrophobicContact CG1-CB 4.01Å; V616-F683 HydrophobicContact CG1-CD2 4.23Å; V616-F683 HydrophobicContact CG1-CG 4.44Å; V616-F683 HydrophobicContact CG2-CD2 3.7Å; V616-F683 HydrophobicContact CG2-CE2 4.07Å; V616-F683 HydrophobicContact CG2-CG 4.26Å |
| 617 | T | 88.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 56.3 Ų | 56.3 | 24% | 0.239 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -92.3 | -39.3 | 176.1 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | T684 D685 T686 I715 | T617-T684 PolarHBondContact N-O 3.44Å; T617-T684 PolarHBondContact OG1-O 2.74Å; T617-T684 VanDerWaalsContact OG1-O 3.05Å; T617-T684 PolarHBondContact OG1-OG1 3.25Å; T617-D685 PolarHBondContact OG1-O 3.04Å; T617-D685 VanDerWaalsContact OG1-O 3.04Å; T617-T686 HydrophobicContact CG2-CG2 3.98Å; T617-I715 VanDerWaalsContact CB-O 3.25Å; T617-I715 WeakPolarHBondContact CB-O 3.36Å; T617-I715 PolarHBondContact OG1-O 3.33Å |
| 618 | A | 90.1 | Very high | 82.9 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 3% | 0.025 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 150.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F683 T684 I715 I718 | A618-F683 CarbonylContact O-C 3.51Å; A618-F683 WeakPolarHBondContact O-CA 3.16Å; A618-F683 VanDerWaalsContact O-CB 3.31Å; A618-F683 WeakPolarHBondContact O-CB 3.38Å; A618-T684 PolarHBondContact N-OG1 3.1Å; A618-T684 PolarHBondContact O-N 2.97Å; A618-I715 HydrophobicContact CB-CG2 4.46Å; A618-I718 HydrophobicContact CB-CB 4.42Å; A618-I718 HydrophobicContact CB-CD1 3.81Å; A618-I718 HydrophobicContact CB-CG1 3.64Å |
| 619 | L | 94.3 | Very high | 81.8 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 135.1 | -176.5 | -173.4 | 151.7 | 0 | 0 | 0 | 111.4 | M576 K578 V587 V589 V616 F681 V682 F683 | M576-L619 HydrophobicContact CE-CB 4.08Å; M576-L619 HydrophobicContact SD-CB 4.47Å; K578-L619 HydrophobicContact CB-CD2 3.7Å; K578-L619 WeakPolarHBondContact CE-O 3.49Å; K578-L619 HydrophobicContact CG-CD2 3.78Å; V587-L619 HydrophobicContact CB-CD1 4.46Å; V587-L619 HydrophobicContact CB-CD2 4.48Å; V587-L619 HydrophobicContact CG1-CD1 3.86Å; V587-L619 HydrophobicContact CG2-CD2 4.49Å; V589-L619 HydrophobicContact CG2-CD1 4.48Å; V616-L619 HydrophobicContact CG1-CB 4.12Å; V616-L619 HydrophobicContact CG1-CD1 4.43Å; L619-F681 HydrophobicContact CD1-CD2 3.79Å; L619-F681 HydrophobicContact CD1-CE2 3.74Å; L619-F681 HydrophobicContact CD2-CD2 4.23Å; L619-F681 HydrophobicContact CG-CD2 3.93Å; L619-F681 HydrophobicContact CG-CE2 4.39Å; L619-V682 WeakPolarHBondContact CA-O 3.47Å; L619-F683 HydrophobicContact CB-CB 4.05Å; L619-F683 HydrophobicContact CD1-CB 4.04Å; L619-F683 HydrophobicContact CG-CB 4.05Å |
| 620 | E | 94.3 | Very high | 80.9 | Confident | 34 Ų | 34 | 58 Ų | 58 | 16% | 0.159 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 143.2 | 175.8 | -164.1 | 65.3 | -163.3 | 0 | 0 | 112 | K578 F681 V682 I718 W720 | K578-E620 IonicContact NZ-OE2 3.33Å; K578-E620 PolarHBondContact NZ-OE2 3.26Å; E620-F681 WeakPolarHBondContact O-CA 3.44Å; E620-F681 WeakPolarHBondContact O-CB 3.45Å; E620-V682 PolarHBondContact N-O 2.87Å; E620-V682 PolarHBondContact O-N 3.44Å; E620-I718 HydrophobicContact CB-CB 4.32Å; E620-I718 HydrophobicContact CB-CG2 4.03Å; E620-W720 HydrophobicContact CG-CB 4.2Å |
| 621 | W | 92.9 | Very high | 80.1 | Confident | 8 Ų | 8 | 62 Ų | 62 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 145.6 | 177.5 | -72.7 | 92.7 | 0 | 0 | 0 | 112 | K578 Y585 V587 L597 E679 F681 V695 | K578-W621 PolarHBondContact O-NE1 3.16Å; Y585-W621 HydrophobicContact CD2-CH2 4.25Å; Y585-W621 HydrophobicContact CG-CH2 4.36Å; V587-W621 HydrophobicContact CG2-CZ2 3.7Å; L597-W621 HydrophobicContact CD1-CH2 4.29Å; L597-W621 HydrophobicContact CD1-CZ2 4.28Å; W621-E679 HydrophobicContact CE3-CB 4.06Å; W621-E679 HydrophobicContact CZ3-CB 3.73Å; W621-F681 HydrophobicContact CD2-CB 3.72Å; W621-F681 HydrophobicContact CD2-CD1 4.47Å; W621-F681 HydrophobicContact CD2-CG 4.46Å; W621-F681 HydrophobicContact CE3-CB 3.73Å; W621-F681 HydrophobicContact CE3-CD1 4.14Å; W621-F681 HydrophobicContact CE3-CG 4.41Å; W621-F681 HydrophobicContact CG-CB 4.1Å; W621-F681 AromaticContact CH2-CD1 3.72Å; W621-F681 HydrophobicContact CH2-CD1 3.72Å; W621-F681 HydrophobicContact CH2-CE1 4.31Å; W621-F681 HydrophobicContact CZ2-CD1 4.1Å; W621-F681 HydrophobicContact CZ3-CB 4.21Å; W621-F681 AromaticContact CZ3-CD1 3.74Å; W621-F681 HydrophobicContact CZ3-CD1 3.74Å; W621-F681 HydrophobicContact CZ3-CG 4.44Å; W621-V695 HydrophobicContact CH2-CB 4.49Å; W621-V695 HydrophobicContact CH2-CG2 4.13Å; W621-V695 HydrophobicContact CZ3-CG2 4.38Å |
| 622 | S | 88.6 | Confident | 79.9 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 32% | 0.32 | C | S | . | . | trans | -71.7 | 133.4 | 174.1 | -167.6 | 0 | 0 | 0 | 0 | 111.2 | S624 H680 W720 | S622-S624 PolarHBondContact O-N 3.42Å; S622-S624 PolarHBondContact OG-N 3.12Å; S622-S624 PolarHBondContact OG-OG 2.93Å; S622-H680 WeakPolarHBondContact CB-O 3.27Å; S622-H680 PolarHBondContact N-O 3.13Å; S622-W720 VanDerWaalsContact CA-CE3 3.47Å; S622-W720 VanDerWaalsContact CB-CH2 3.44Å; S622-W720 WeakPolarHBondContact OG-CH2 3.41Å; S622-W720 WeakPolarHBondContact OG-CZ2 3.3Å | ||
| 623 | P | 81 | Confident | 79.6 | Confident | 29 Ų | 29 | 59.6 Ų | 59.6 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -68.5 | -17.8 | 167.7 | -16.9 | 30.3 | 0 | 0 | 0 | 113 | H625 W720 | P623-H625 PolarHBondContact O-ND1 2.98Å; P623-W720 HydrophobicContact CG-CG 4.36Å |
| 624 | S | 75.9 | Confident | 78.9 | Confident | 70 Ų | 70 | 62.2 Ų | 62.2 | 49% | 0.49 | 32% | 0.316 | S | S | . | . | trans | -80.7 | 127.5 | -177 | 72.5 | 0 | 0 | 0 | 0 | 111.2 | S622 | S622-S624 PolarHBondContact O-N 3.42Å; S622-S624 PolarHBondContact OG-N 3.12Å; S622-S624 PolarHBondContact OG-OG 2.93Å | ||
| 625 | H | 72.3 | Confident | 78.2 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 29% | 0.292 | 33% | 0.33 | S | S | . | . | trans | -149.8 | 140.6 | -176.6 | 56 | -77.6 | 0 | 0 | 0 | 110.8 | H581 L582 P623 L627 | H581-H625 AromaticContact CD2-ND1 3.92Å; L582-H625 HydrophobicContact CD1-CB 4.06Å; P623-H625 PolarHBondContact O-ND1 2.98Å; H625-L627 WeakPolarHBondContact CD2-CG 3.31Å; H625-L627 WeakPolarHBondContact NE2-CD1 3.19Å; H625-L627 PolarHBondContact O-N 3.48Å | ||
| 626 | N | 66.8 | Low | 77.5 | Confident | 91 Ų | 91 | 64.7 Ų | 64.7 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | trans | -91.8 | 79.5 | -175.4 | -169.2 | -11.1 | 0 | 0 | 0 | 111.7 | K628 S629 | N626-K628 PolarHBondContact O-N 2.91Å; N626-K628 PolarHBondContact OD1-N 3.37Å; N626-S629 PolarHBondContact O-OG 3.02Å; N626-S629 PolarHBondContact OD1-N 2.81Å | ||
| 627 | L | 65.9 | Low | 76.4 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 40% | 0.398 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.6 | -20.3 | 178 | -67.4 | 173.9 | 0 | 0 | 0 | 113.9 | H625 L630 K631 | H625-L627 WeakPolarHBondContact CD2-CG 3.31Å; H625-L627 WeakPolarHBondContact NE2-CD1 3.19Å; H625-L627 PolarHBondContact O-N 3.48Å; L627-L630 HydrophobicContact CD2-CD2 4.1Å; L627-L630 PolarHBondContact O-N 3.47Å; L627-K631 WeakPolarHBondContact O-CG 3.13Å; L627-K631 PolarHBondContact O-N 3.45Å |
| 628 | K | 66 | Low | 75.3 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 79% | 0.787 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.6 | -40.9 | -179.3 | -69.6 | -176.6 | 179.1 | -179.8 | 0 | 111.2 | N626 L630 K632 | N626-K628 PolarHBondContact O-N 2.91Å; N626-K628 PolarHBondContact OD1-N 3.37Å; K628-L630 VanDerWaalsContact C-N 3.34Å; K628-K632 PolarHBondContact O-N 3.26Å; K628-K632 VanDerWaalsContact O-N 3.13Å |
| 629 | S | 66.9 | Low | 74.3 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -66.9 | -37.2 | 174.2 | 64 | 0 | 0 | 0 | 0 | 111.6 | N626 K632 K633 | N626-S629 PolarHBondContact O-OG 3.02Å; N626-S629 PolarHBondContact OD1-N 2.81Å; S629-K632 PolarHBondContact O-N 3.49Å; S629-K633 WeakPolarHBondContact O-CB 3.5Å; S629-K633 WeakPolarHBondContact O-CG 3.4Å; S629-K633 PolarHBondContact O-N 3.22Å |
| 630 | L | 68.9 | Low | 73 | Confident | 23 Ų | 23 | 76.2 Ų | 76.2 | 12% | 0.12 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -61.2 | -50.8 | 176 | -173.9 | 75 | 0 | 0 | 0 | 111.7 | L627 K628 K632 K633 Q634 I675 A677 | L627-L630 HydrophobicContact CD2-CD2 4.1Å; L627-L630 PolarHBondContact O-N 3.47Å; K628-L630 VanDerWaalsContact C-N 3.34Å; L630-K632 VanDerWaalsContact C-N 3.3Å; L630-K632 PolarHBondContact O-N 3.03Å; L630-K633 PolarHBondContact O-N 3.34Å; L630-K633 VanDerWaalsContact O-N 3.12Å; L630-Q634 WeakPolarHBondContact O-CG 3.35Å; L630-Q634 PolarHBondContact O-N 3.41Å; L630-I675 HydrophobicContact CD1-CG2 3.66Å; L630-A677 HydrophobicContact CD1-CB 4.19Å; L630-A677 HydrophobicContact CD2-CB 4.21Å |
| 631 | K | 68.2 | Low | 71.6 | Confident | 143 Ų | 143 | 77.2 Ų | 77.2 | 62% | 0.622 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -59.7 | -40.6 | 177.5 | -72.6 | -174.8 | 177.7 | -170.3 | 0 | 112 | L627 Q634 M635 | L627-K631 WeakPolarHBondContact O-CG 3.13Å; L627-K631 PolarHBondContact O-N 3.45Å; K631-Q634 PolarHBondContact O-N 3.08Å; K631-M635 WeakPolarHBondContact O-CB 3.5Å; K631-M635 VanDerWaalsContact O-CG 3.25Å; K631-M635 WeakPolarHBondContact O-CG 3.3Å; K631-M635 PolarHBondContact O-N 3.26Å |
| 632 | K | 74.4 | Confident | 70.1 | Confident | 166 Ų | 166 | 78 Ų | 78 | 72% | 0.722 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 175 | -172 | 177.7 | -179.7 | 179.4 | 0 | 111.9 | K628 S629 L630 A636 | K628-K632 PolarHBondContact O-N 3.26Å; K628-K632 VanDerWaalsContact O-N 3.13Å; S629-K632 PolarHBondContact O-N 3.49Å; L630-K632 VanDerWaalsContact C-N 3.3Å; L630-K632 PolarHBondContact O-N 3.03Å; K632-A636 VanDerWaalsContact O-CB 3.3Å; K632-A636 WeakPolarHBondContact O-CB 3.48Å; K632-A636 PolarHBondContact O-N 2.86Å |
| 633 | K | 71.8 | Confident | 69 | Low | 98 Ų | 98 | 86.9 Ų | 86.9 | 43% | 0.426 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.8 | -40.1 | 176.4 | -74.7 | -179.5 | 178.2 | -167.5 | 0 | 112.4 | S629 L630 A636 A637 I675 E696 | S629-K633 WeakPolarHBondContact O-CB 3.5Å; S629-K633 WeakPolarHBondContact O-CG 3.4Å; S629-K633 PolarHBondContact O-N 3.22Å; L630-K633 PolarHBondContact O-N 3.34Å; L630-K633 VanDerWaalsContact O-N 3.12Å; K633-A636 PolarHBondContact O-N 3.27Å; K633-A637 VanDerWaalsContact O-CB 3.25Å; K633-A637 WeakPolarHBondContact O-CB 3.26Å; K633-A637 PolarHBondContact O-N 2.84Å; K633-I675 HydrophobicContact CB-CG2 4.08Å; K633-E696 IonicContact NZ-OE1 3.01Å; K633-E696 PolarHBondContact NZ-OE1 3.02Å |
| 634 | Q | 69.9 | Low | 68.1 | Low | 96 Ų | 96 | 91.4 Ų | 91.4 | 45% | 0.449 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.9 | -76.8 | 179.6 | -19 | 0 | 0 | 111.6 | L630 K631 A637 R638 I675 | L630-Q634 WeakPolarHBondContact O-CG 3.35Å; L630-Q634 PolarHBondContact O-N 3.41Å; K631-Q634 PolarHBondContact O-N 3.08Å; Q634-A637 PolarHBondContact O-N 3.44Å; Q634-R638 VanDerWaalsContact O-CB 3.27Å; Q634-R638 WeakPolarHBondContact O-CB 3.44Å; Q634-R638 PolarHBondContact O-N 3.4Å; Q634-I675 HydrophobicContact CG-CD1 4.15Å; Q634-I675 HydrophobicContact CG-CG2 4.27Å |
| 635 | M | 68.5 | Low | 67.4 | Low | 115 Ų | 115 | 89.9 Ų | 89.9 | 57% | 0.567 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -63.6 | -43.7 | 175.2 | -68.7 | -66.6 | -76.1 | 0 | 0 | 111.6 | K631 A637 R638 E639 | K631-M635 WeakPolarHBondContact O-CB 3.5Å; K631-M635 VanDerWaalsContact O-CG 3.25Å; K631-M635 WeakPolarHBondContact O-CG 3.3Å; K631-M635 PolarHBondContact O-N 3.26Å; M635-A637 PolarHBondContact O-N 2.74Å; M635-R638 PolarHBondContact O-N 3.16Å; M635-E639 WeakPolarHBondContact O-CB 3.49Å; M635-E639 WeakPolarHBondContact O-CG 3.47Å; M635-E639 PolarHBondContact O-N 2.95Å |
| 636 | A | 72.1 | Confident | 66.9 | Low | 52 Ų | 52 | 90.6 Ų | 90.6 | 43% | 0.43 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | K632 K633 A640 | K632-A636 VanDerWaalsContact O-CB 3.3Å; K632-A636 WeakPolarHBondContact O-CB 3.48Å; K632-A636 PolarHBondContact O-N 2.86Å; K633-A636 PolarHBondContact O-N 3.27Å; A636-A640 WeakPolarHBondContact O-CB 3.24Å; A636-A640 PolarHBondContact O-N 3.33Å |
| 637 | A | 66.8 | Low | 66.5 | Low | 38 Ų | 38 | 89.1 Ų | 89.1 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K633 Q634 M635 A640 M641 I675 | K633-A637 VanDerWaalsContact O-CB 3.25Å; K633-A637 WeakPolarHBondContact O-CB 3.26Å; K633-A637 PolarHBondContact O-N 2.84Å; Q634-A637 PolarHBondContact O-N 3.44Å; M635-A637 PolarHBondContact O-N 2.74Å; A637-A640 PolarHBondContact O-N 3.4Å; A637-M641 PolarHBondContact O-N 3.22Å; A637-I675 HydrophobicContact CB-CD1 3.48Å; A637-I675 VanDerWaalsContact CB-CD1 3.48Å |
| 638 | R | 66.6 | Low | 65.9 | Low | 114 Ų | 114 | 90.7 Ų | 90.7 | 43% | 0.43 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 173.8 | -174.4 | 173.3 | 169.9 | 151.8 | -0.5 | 111.6 | Q634 M635 A642 E666 | Q634-R638 VanDerWaalsContact O-CB 3.27Å; Q634-R638 WeakPolarHBondContact O-CB 3.44Å; Q634-R638 PolarHBondContact O-N 3.4Å; M635-R638 PolarHBondContact O-N 3.16Å; R638-A642 VanDerWaalsContact O-CB 3.28Å; R638-A642 WeakPolarHBondContact O-CB 3.44Å; R638-A642 PolarHBondContact O-N 2.84Å; R638-E666 IonicContact CZ-OE1 3.56Å; R638-E666 IonicContact NH1-OE1 2.85Å; R638-E666 PolarHBondContact NH1-OE1 3.18Å; R638-E666 VanDerWaalsContact NH2-CD 3.27Å; R638-E666 IonicContact NH2-OE1 3.33Å; R638-E666 PolarHBondContact NH2-OE1 3.07Å |
| 639 | E | 67.6 | Low | 65.4 | Low | 108 Ų | 108 | 83.8 Ų | 83.8 | 51% | 0.505 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 172.5 | -76.4 | 175.6 | -173.3 | 0 | 0 | 112.2 | M635 R643 | M635-E639 WeakPolarHBondContact O-CB 3.49Å; M635-E639 WeakPolarHBondContact O-CG 3.47Å; M635-E639 PolarHBondContact O-N 2.95Å; E639-R643 WeakPolarHBondContact O-CG 3.49Å; E639-R643 PolarHBondContact O-N 3.05Å; E639-R643 VanDerWaalsContact O-N 3.07Å |
| 640 | A | 67.4 | Low | 64.8 | Low | 53 Ų | 53 | 89.9 Ų | 89.9 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A636 A637 R643 Q644 | A636-A640 WeakPolarHBondContact O-CB 3.24Å; A636-A640 PolarHBondContact O-N 3.33Å; A637-A640 PolarHBondContact O-N 3.4Å; A640-R643 PolarHBondContact O-N 2.98Å; A640-Q644 PolarHBondContact O-N 3.44Å |
| 641 | M | 65.5 | Low | 64 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 28% | 0.276 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -38.1 | 174.8 | -96.5 | -171.4 | 177.6 | 0 | 0 | 112.5 | A637 R643 Q644 T645 | A637-M641 PolarHBondContact O-N 3.22Å; M641-R643 VanDerWaalsContact C-N 3.3Å; M641-R643 PolarHBondContact O-N 3.16Å; M641-Q644 PolarHBondContact O-N 3.18Å; M641-T645 PolarHBondContact O-N 3.04Å; M641-T645 PolarHBondContact O-OG1 3.35Å |
| 642 | A | 60.9 | Low | 63.1 | Low | 23 Ų | 23 | 94 Ų | 94 | 19% | 0.19 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R638 T645 V646 L662 | R638-A642 VanDerWaalsContact O-CB 3.28Å; R638-A642 WeakPolarHBondContact O-CB 3.44Å; R638-A642 PolarHBondContact O-N 2.84Å; A642-T645 WeakPolarHBondContact CA-OG1 3.32Å; A642-T645 PolarHBondContact O-OG1 3.47Å; A642-T645 VanDerWaalsContact O-OG1 3.1Å; A642-V646 WeakPolarHBondContact O-CB 3.48Å; A642-V646 WeakPolarHBondContact O-CG2 3.48Å; A642-V646 PolarHBondContact O-N 3.41Å; A642-L662 HydrophobicContact CB-CD2 4.28Å |
| 643 | R | 66.1 | Low | 61.9 | Low | 189 Ų | 189 | 92 Ų | 92 | 71% | 0.713 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.3 | -36.7 | 173.7 | -72.2 | 174.7 | -174.6 | -178.4 | 3.8 | 112.8 | E639 A640 M641 S647 | E639-R643 WeakPolarHBondContact O-CG 3.49Å; E639-R643 PolarHBondContact O-N 3.05Å; E639-R643 VanDerWaalsContact O-N 3.07Å; A640-R643 PolarHBondContact O-N 2.98Å; M641-R643 VanDerWaalsContact C-N 3.3Å; M641-R643 PolarHBondContact O-N 3.16Å; R643-S647 PolarHBondContact O-N 2.99Å; R643-S647 PolarHBondContact O-OG 3.39Å |
| 644 | Q | 62.3 | Low | 60.8 | Low | 125 Ų | 125 | 93.2 Ų | 93.2 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72 | -39.2 | -179.7 | -133.4 | 172.9 | 1.5 | 0 | 0 | 112.7 | A640 M641 S647 D648 | A640-Q644 PolarHBondContact O-N 3.44Å; M641-Q644 PolarHBondContact O-N 3.18Å; Q644-S647 WeakPolarHBondContact CA-OG 3.36Å; Q644-S647 PolarHBondContact O-N 3.3Å; Q644-S647 PolarHBondContact O-OG 3.35Å; Q644-D648 PolarHBondContact O-N 3.46Å |
| 645 | T | 61 | Low | 60 | Low | 37 Ų | 37 | 98.3 Ų | 98.3 | 23% | 0.227 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -68.7 | -33.2 | 174.4 | 42 | 0 | 0 | 0 | 0 | 112.3 | M641 A642 A649 A665 | M641-T645 PolarHBondContact O-N 3.04Å; M641-T645 PolarHBondContact O-OG1 3.35Å; A642-T645 WeakPolarHBondContact CA-OG1 3.32Å; A642-T645 PolarHBondContact O-OG1 3.47Å; A642-T645 VanDerWaalsContact O-OG1 3.1Å; T645-A649 WeakPolarHBondContact O-CB 3.35Å; T645-A649 PolarHBondContact O-N 3.2Å; T645-A649 VanDerWaalsContact O-N 3.09Å; T645-A665 HydrophobicContact CG2-CB 4.43Å |
| 646 | V | 60.5 | Low | 59.2 | Low | 79 Ų | 79 | 95.8 Ų | 95.8 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.3 | -38.2 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | A642 A649 E650 | A642-V646 WeakPolarHBondContact O-CB 3.48Å; A642-V646 WeakPolarHBondContact O-CG2 3.48Å; A642-V646 PolarHBondContact O-N 3.41Å; V646-A649 PolarHBondContact O-N 3.16Å; V646-E650 PolarHBondContact O-N 3.19Å |
| 647 | S | 58.7 | Low | 58.4 | Low | 59 Ų | 59 | 96.8 Ų | 96.8 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.7 | -32.6 | 176.3 | 58.6 | 0 | 0 | 0 | 0 | 114 | R643 Q644 | R643-S647 PolarHBondContact O-N 2.99Å; R643-S647 PolarHBondContact O-OG 3.39Å; Q644-S647 WeakPolarHBondContact CA-OG 3.36Å; Q644-S647 PolarHBondContact O-N 3.3Å; Q644-S647 PolarHBondContact O-OG 3.35Å |
| 648 | D | 54.4 | Low | 57.9 | Low | 110 Ų | 110 | 100 Ų | 100 | 59% | 0.588 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75.2 | -32.1 | 174.9 | -80.6 | -12.2 | 0 | 0 | 0 | 111.9 | Q644 E650 Q651 | Q644-D648 PolarHBondContact O-N 3.46Å; D648-E650 VanDerWaalsContact C-N 3.3Å; D648-E650 PolarHBondContact O-N 3.33Å; D648-Q651 PolarHBondContact O-N 3.02Å |
| 649 | A | 54.2 | Low | 57.5 | Low | 35 Ų | 35 | 100.4 Ų | 100.4 | 29% | 0.289 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.8 | -24.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T645 V646 Q651 S652 | T645-A649 WeakPolarHBondContact O-CB 3.35Å; T645-A649 PolarHBondContact O-N 3.2Å; T645-A649 VanDerWaalsContact O-N 3.09Å; V646-A649 PolarHBondContact O-N 3.16Å; A649-Q651 PolarHBondContact O-N 3.28Å; A649-S652 PolarHBondContact O-N 2.93Å |
| 650 | E | 54 | Low | 56.9 | Low | 169 Ų | 169 | 97 Ų | 97 | 79% | 0.79 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -11.5 | 173.1 | -75.8 | -175.5 | 168.4 | 0 | 0 | 113.2 | V646 D648 | V646-E650 PolarHBondContact O-N 3.19Å; D648-E650 VanDerWaalsContact C-N 3.3Å; D648-E650 PolarHBondContact O-N 3.33Å |
| 651 | Q | 53.3 | Low | 56.4 | Low | 174 Ų | 174 | 96.5 Ų | 96.5 | 81% | 0.813 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -8.7 | 174.4 | -68.6 | -175.7 | -0 | 0 | 0 | 114.4 | D648 A649 | D648-Q651 PolarHBondContact O-N 3.02Å; A649-Q651 PolarHBondContact O-N 3.28Å |
| 652 | S | 49 | Very low | 55.9 | Low | 78 Ų | 78 | 97.5 Ų | 97.5 | 55% | 0.545 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -128 | 106 | 178.1 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | A649 V654 | A649-S652 PolarHBondContact O-N 2.93Å; S652-V654 PolarHBondContact O-N 3.49Å |
| 653 | S | 49.8 | Very low | 55.7 | Low | 125 Ų | 125 | 102.1 Ų | 102.1 | 87% | 0.874 | 56% | 0.555 | S | S | * | * | trans | -74.9 | 82.3 | -179.2 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 654 | V | 49.1 | Very low | 55 | Low | 122 Ų | 122 | 97.3 Ų | 97.3 | 74% | 0.739 | 54% | 0.544 | S | S | * | . | trans | -141.2 | 126.7 | 160.5 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | S652 S656 | S652-V654 PolarHBondContact O-N 3.49Å; V654-S656 PolarHBondContact O-N 3.41Å | ||
| 655 | E | 51.5 | Low | 54.5 | Low | 203 Ų | 203 | 91.8 Ų | 91.8 | 95% | 0.949 | 52% | 0.52 | S | S | * | . | trans | -56.8 | 95.8 | 174.7 | -69.8 | 177.3 | 152.1 | 0 | 0 | 110.9 | ||||
| 656 | S | 52.5 | Low | 54.1 | Low | 62 Ų | 62 | 93.6 Ų | 93.6 | 43% | 0.434 | 53% | 0.525 | S | S | . | . | trans | -113.8 | 132.5 | 164.1 | 57.2 | 0 | 0 | 0 | 0 | 108.4 | V654 | V654-S656 PolarHBondContact O-N 3.41Š| ||
| 657 | S | 55.6 | Low | 53.5 | Low | 73 Ų | 73 | 92.8 Ų | 92.8 | 51% | 0.51 | 52% | 0.523 | S | S | . | . | trans | -58.7 | 141.6 | -176.5 | 59.8 | 0 | 0 | 0 | 0 | 111.3 | I659 S660 L661 | S657-I659 PolarHBondContact O-N 3.34Å; S657-S660 PolarHBondContact O-N 3.3Å; S657-S660 PolarHBondContact O-OG 3.23Å; S657-S660 PolarHBondContact OG-N 3.24Å; S657-S660 PolarHBondContact OG-OG 2.94Å; S657-L661 PolarHBondContact O-N 3.39Å | ||
| 658 | V | 56.3 | Low | 52.9 | Low | 107 Ų | 107 | 96.1 Ų | 96.1 | 65% | 0.648 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -51.1 | -26.5 | 176.2 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | L662 | V658-L662 HydrophobicContact CG1-CD1 4.13Å; V658-L662 WeakPolarHBondContact O-CB 3.36Å; V658-L662 VanDerWaalsContact O-CG 3.28Å; V658-L662 WeakPolarHBondContact O-CG 3.47Å; V658-L662 PolarHBondContact O-N 2.87Å; V658-L662 VanDerWaalsContact O-N 3.11Å |
| 659 | I | 56.9 | Low | 52.5 | Low | 121 Ų | 121 | 92.5 Ų | 92.5 | 62% | 0.621 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 176.9 | -58.9 | 176 | 0 | 0 | 0 | 112.1 | S657 L662 Q663 | S657-I659 PolarHBondContact O-N 3.34Å; I659-L662 PolarHBondContact O-N 2.84Å; I659-Q663 PolarHBondContact O-N 3.26Å |
| 660 | S | 56.5 | Low | 52 | Low | 37 Ų | 37 | 99.2 Ų | 99.2 | 26% | 0.259 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 177.2 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | S657 Q663 D664 | S657-S660 PolarHBondContact O-N 3.3Å; S657-S660 PolarHBondContact O-OG 3.23Å; S657-S660 PolarHBondContact OG-N 3.24Å; S657-S660 PolarHBondContact OG-OG 2.94Å; S660-Q663 PolarHBondContact O-N 3.29Å; S660-D664 WeakPolarHBondContact O-CB 3.15Å; S660-D664 PolarHBondContact O-N 3.2Å |
| 661 | L | 55.8 | Low | 51.3 | Low | 43 Ų | 43 | 96.3 Ų | 96.3 | 23% | 0.225 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | 174 | -71.1 | 168.9 | 0 | 0 | 0 | 112.3 | S657 A665 | S657-L661 PolarHBondContact O-N 3.39Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.3Å; L661-A665 PolarHBondContact O-N 2.84Å |
| 662 | L | 55.7 | Low | 50.8 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.7 | -34.4 | 173.6 | -74 | 168.8 | 0 | 0 | 0 | 112.4 | A642 V658 I659 E666 | A642-L662 HydrophobicContact CB-CD2 4.28Å; V658-L662 HydrophobicContact CG1-CD1 4.13Å; V658-L662 WeakPolarHBondContact O-CB 3.36Å; V658-L662 VanDerWaalsContact O-CG 3.28Å; V658-L662 WeakPolarHBondContact O-CG 3.47Å; V658-L662 PolarHBondContact O-N 2.87Å; V658-L662 VanDerWaalsContact O-N 3.11Å; I659-L662 PolarHBondContact O-N 2.84Å; L662-E666 WeakPolarHBondContact O-CB 3.23Å; L662-E666 WeakPolarHBondContact O-CG 3.49Å; L662-E666 PolarHBondContact O-N 2.77Å |
| 663 | Q | 55.8 | Low | 50.9 | Low | 120 Ų | 120 | 94 Ų | 94 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.9 | -37.5 | 171.8 | -94.7 | 176.4 | -26.8 | 0 | 0 | 112.8 | I659 S660 E666 S667 | I659-Q663 PolarHBondContact O-N 3.26Å; S660-Q663 PolarHBondContact O-N 3.29Å; Q663-E666 WeakPolarHBondContact O-CB 3.05Å; Q663-E666 PolarHBondContact O-N 3.11Å; Q663-S667 PolarHBondContact O-N 2.86Å; Q663-S667 PolarHBondContact O-OG 2.98Å |
| 664 | D | 52.6 | Low | 51.1 | Low | 89 Ų | 89 | 92.4 Ų | 92.4 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71 | -32.4 | 173.2 | -81.4 | -16.9 | 0 | 0 | 0 | 112.3 | S660 S667 K668 | S660-D664 WeakPolarHBondContact O-CB 3.15Å; S660-D664 PolarHBondContact O-N 3.2Å; D664-S667 WeakPolarHBondContact CA-OG 3.32Å; D664-S667 PolarHBondContact O-OG 3.48Å; D664-S667 VanDerWaalsContact O-OG 3.11Å; D664-K668 VanDerWaalsContact O-CB 3.31Å; D664-K668 WeakPolarHBondContact O-CB 3.41Å; D664-K668 VanDerWaalsContact O-CG 3.31Å; D664-K668 WeakPolarHBondContact O-CG 2.96Å; D664-K668 PolarHBondContact O-N 2.58Å |
| 665 | A | 52.4 | Low | 51.9 | Low | 9 Ų | 9 | 88.9 Ų | 88.9 | 7% | 0.074 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -70.4 | -34.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T645 L661 S669 | T645-A665 HydrophobicContact CG2-CB 4.43Å; L661-A665 VanDerWaalsContact O-CB 3.27Å; L661-A665 WeakPolarHBondContact O-CB 3.3Å; L661-A665 PolarHBondContact O-N 2.84Å; A665-S669 WeakPolarHBondContact O-CB 3.34Å; A665-S669 PolarHBondContact O-N 3.44Å; A665-S669 PolarHBondContact O-OG 2.87Å |
| 666 | E | 50.6 | Low | 52.9 | Low | 74 Ų | 74 | 79.8 Ų | 79.8 | 35% | 0.346 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 171.7 | -84.3 | -177.5 | 147.9 | 0 | 0 | 111.5 | R638 L662 Q663 K668 S669 E670 | R638-E666 IonicContact CZ-OE1 3.56Å; R638-E666 IonicContact NH1-OE1 2.85Å; R638-E666 PolarHBondContact NH1-OE1 3.18Å; R638-E666 VanDerWaalsContact NH2-CD 3.27Å; R638-E666 IonicContact NH2-OE1 3.33Å; R638-E666 PolarHBondContact NH2-OE1 3.07Å; L662-E666 WeakPolarHBondContact O-CB 3.23Å; L662-E666 WeakPolarHBondContact O-CG 3.49Å; L662-E666 PolarHBondContact O-N 2.77Å; Q663-E666 WeakPolarHBondContact O-CB 3.05Å; Q663-E666 PolarHBondContact O-N 3.11Å; E666-K668 PolarHBondContact O-N 3.28Å; E666-S669 PolarHBondContact O-N 2.91Å; E666-S669 PolarHBondContact O-OG 2.95Å; E666-E670 PolarHBondContact O-N 2.92Å; E666-E670 VanDerWaalsContact O-N 3.15Å |
| 667 | S | 48.8 | Very low | 54.2 | Low | 62 Ų | 62 | 77 Ų | 77 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.7 | -33 | -179.7 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | Q663 D664 T671 | Q663-S667 PolarHBondContact O-N 2.86Å; Q663-S667 PolarHBondContact O-OG 2.98Å; D664-S667 WeakPolarHBondContact CA-OG 3.32Å; D664-S667 PolarHBondContact O-OG 3.48Å; D664-S667 VanDerWaalsContact O-OG 3.11Å; S667-T671 PolarHBondContact O-OG1 3.18Å |
| 668 | K | 45.8 | Very low | 55.6 | Low | 130 Ų | 130 | 78 Ų | 78 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -79.5 | -26.7 | 171.9 | -70.6 | 178 | -179.9 | 175 | 0 | 114 | D664 E666 T671 | D664-K668 VanDerWaalsContact O-CB 3.31Å; D664-K668 WeakPolarHBondContact O-CB 3.41Å; D664-K668 VanDerWaalsContact O-CG 3.31Å; D664-K668 WeakPolarHBondContact O-CG 2.96Å; D664-K668 PolarHBondContact O-N 2.58Å; E666-K668 PolarHBondContact O-N 3.28Å; K668-T671 WeakPolarHBondContact CA-OG1 3.3Å; K668-T671 PolarHBondContact O-N 3.03Å; K668-T671 PolarHBondContact O-OG1 3.2Å |
| 669 | S | 46.5 | Very low | 57.2 | Low | 34 Ų | 34 | 73 Ų | 73 | 24% | 0.238 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.3 | -31.2 | 175.2 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | A665 E666 T671 S672 | A665-S669 WeakPolarHBondContact O-CB 3.34Å; A665-S669 PolarHBondContact O-N 3.44Å; A665-S669 PolarHBondContact O-OG 2.87Å; E666-S669 PolarHBondContact O-N 2.91Å; E666-S669 PolarHBondContact O-OG 2.95Å; S669-T671 PolarHBondContact O-N 3.23Å; S669-S672 PolarHBondContact O-N 3.26Å; S669-S672 VanDerWaalsContact O-N 3.11Å; S669-S672 PolarHBondContact O-OG 2.8Å |
| 670 | E | 43 | Very low | 58.8 | Low | 176 Ų | 176 | 69 Ų | 69 | 82% | 0.822 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.7 | 172.5 | -73.8 | -171.1 | 158.6 | 0 | 0 | 112.7 | E666 | E666-E670 PolarHBondContact O-N 2.92Å; E666-E670 VanDerWaalsContact O-N 3.15Å |
| 671 | T | 39.7 | Very low | 60.5 | Low | 108 Ų | 108 | 67.4 Ų | 67.4 | 66% | 0.663 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2.8 | 175.3 | 24.6 | 0 | 0 | 0 | 0 | 114 | S667 K668 S669 Q673 | S667-T671 PolarHBondContact O-OG1 3.18Å; K668-T671 WeakPolarHBondContact CA-OG1 3.3Å; K668-T671 PolarHBondContact O-N 3.03Å; K668-T671 PolarHBondContact O-OG1 3.2Å; S669-T671 PolarHBondContact O-N 3.23Å; T671-Q673 PolarHBondContact O-N 2.82Å |
| 672 | S | 43.3 | Very low | 62.3 | Low | 51 Ų | 51 | 65.7 Ų | 65.7 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | trans | -83.6 | 107.9 | -178.7 | 68.1 | 0 | 0 | 0 | 0 | 113.2 | S669 A674 | S669-S672 PolarHBondContact O-N 3.26Å; S669-S672 VanDerWaalsContact O-N 3.11Å; S669-S672 PolarHBondContact O-OG 2.8Å; S672-A674 VanDerWaalsContact C-N 3.34Å; S672-A674 PolarHBondContact O-N 3.08Å; S672-A674 VanDerWaalsContact O-N 3.08Å | ||
| 673 | Q | 51.6 | Low | 64 | Low | 152 Ų | 152 | 62.1 Ų | 62.1 | 71% | 0.71 | 33% | 0.331 | S | S | * | . | trans | -72.1 | 14.5 | -167.4 | -76.5 | -178 | -21.9 | 0 | 0 | 118.2 | T671 | T671-Q673 PolarHBondContact O-N 2.82Š| ||
| 674 | A | 54.3 | Low | 65.7 | Low | 91 Ų | 91 | 56.4 Ų | 56.4 | 75% | 0.752 | 31% | 0.305 | S | S | * | . | trans | -126.5 | 14.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 119 | S672 | S672-A674 VanDerWaalsContact C-N 3.34Å; S672-A674 PolarHBondContact O-N 3.08Å; S672-A674 VanDerWaalsContact O-N 3.08Å | ||
| 675 | I | 65.2 | Low | 67.5 | Low | 48 Ų | 48 | 52.6 Ų | 52.6 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | trans | -116.8 | 90.8 | 178.2 | -44 | 178.1 | 0 | 0 | 0 | 111.1 | L630 K633 Q634 A637 | L630-I675 HydrophobicContact CD1-CG2 3.66Å; K633-I675 HydrophobicContact CB-CG2 4.08Å; Q634-I675 HydrophobicContact CG-CD1 4.15Å; Q634-I675 HydrophobicContact CG-CG2 4.27Å; A637-I675 HydrophobicContact CB-CD1 3.48Å; A637-I675 VanDerWaalsContact CB-CD1 3.48Å | ||
| 676 | S | 72.4 | Confident | 69 | Low | 13 Ų | 13 | 55.7 Ų | 55.7 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -96.8 | 148.8 | 173.7 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | Y585 | Y585-S676 WeakPolarHBondContact OH-CB 3.41Å; Y585-S676 PolarHBondContact OH-OG 3.31Å |
| 677 | A | 79.9 | Confident | 70.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 2% | 0.017 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 150.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L582 Q584 L630 E679 | L582-A677 HydrophobicContact CD1-CB 3.5Å; L582-A677 VanDerWaalsContact CD1-CB 3.5Å; Q584-A677 PolarHBondContact OE1-O 3.42Å; L630-A677 HydrophobicContact CD1-CB 4.19Å; L630-A677 HydrophobicContact CD2-CB 4.21Å; A677-E679 PolarHBondContact O-N 2.91Å |
| 678 | R | 85.4 | Confident | 72.1 | Confident | 95 Ų | 95 | 54.8 Ų | 54.8 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 122.7 | 171.1 | -174.9 | 173.2 | -175.9 | -167.9 | 1.3 | 109.2 | T694 V695 E696 | R678-T694 PolarHBondContact NH2-OG1 3.48Å; R678-T694 VanDerWaalsContact NH2-OG1 3.11Å; R678-V695 WeakPolarHBondContact CA-O 3.5Å; R678-E696 HydrophobicContact CB-CB 4.14Å; R678-E696 HydrophobicContact CB-CG 4.12Å; R678-E696 HydrophobicContact CG-CB 4.15Å |
| 679 | E | 89.4 | Confident | 74.1 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.009 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 161.7 | 176 | -67.7 | -169.1 | 93.6 | 0 | 0 | 110.9 | S580 H581 L582 Y585 W621 A677 V695 | S580-E679 WeakPolarHBondContact CB-OE2 3.46Å; S580-E679 PolarHBondContact OG-OE2 2.97Å; H581-E679 PolarHBondContact N-OE1 3Å; H581-E679 VanDerWaalsContact N-OE1 3.16Å; L582-E679 WeakPolarHBondContact CB-OE1 3.26Å; L582-E679 HydrophobicContact CD1-CG 3.92Å; L582-E679 HydrophobicContact CG-CG 4.28Å; L582-E679 WeakPolarHBondContact CG-OE1 3.13Å; L582-E679 PolarHBondContact N-OE1 3.37Å; Y585-E679 WeakPolarHBondContact CD2-OE2 3.4Å; W621-E679 HydrophobicContact CE3-CB 4.06Å; W621-E679 HydrophobicContact CZ3-CB 3.73Å; A677-E679 PolarHBondContact O-N 2.91Å; E679-V695 PolarHBondContact N-O 3.02Å; E679-V695 PolarHBondContact O-N 2.91Å |
| 680 | H | 90.8 | Very high | 76.1 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.171 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.4 | -174.2 | -59.1 | -100.3 | 0 | 0 | 0 | 108.7 | S622 H692 I693 T694 | S622-H680 WeakPolarHBondContact CB-O 3.27Å; S622-H680 PolarHBondContact N-O 3.13Å; H680-H692 AromaticContact CG-NE2 3.71Å; H680-H692 AromaticContact ND1-CE1 3.56Å; H680-H692 AromaticContact ND1-NE2 3.05Å; H680-H692 PolarHBondContact ND1-NE2 3.03Å; H680-I693 WeakPolarHBondContact CA-O 3.38Å; H680-T694 WeakPolarHBondContact ND1-CG2 3.39Å |
| 681 | F | 92.4 | Very high | 78.3 | Confident | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.013 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 156.5 | 167.7 | 69.5 | -91.9 | 0 | 0 | 0 | 110.8 | L619 E620 W621 F683 I693 V695 | L619-F681 HydrophobicContact CD1-CD2 3.79Å; L619-F681 HydrophobicContact CD1-CE2 3.74Å; L619-F681 HydrophobicContact CD2-CD2 4.23Å; L619-F681 HydrophobicContact CG-CD2 3.93Å; L619-F681 HydrophobicContact CG-CE2 4.39Å; E620-F681 WeakPolarHBondContact O-CA 3.44Å; E620-F681 WeakPolarHBondContact O-CB 3.45Å; W621-F681 HydrophobicContact CD2-CB 3.72Å; W621-F681 HydrophobicContact CD2-CD1 4.47Å; W621-F681 HydrophobicContact CD2-CG 4.46Å; W621-F681 HydrophobicContact CE3-CB 3.73Å; W621-F681 HydrophobicContact CE3-CD1 4.14Å; W621-F681 HydrophobicContact CE3-CG 4.41Å; W621-F681 HydrophobicContact CG-CB 4.1Å; W621-F681 AromaticContact CH2-CD1 3.72Å; W621-F681 HydrophobicContact CH2-CD1 3.72Å; W621-F681 HydrophobicContact CH2-CE1 4.31Å; W621-F681 HydrophobicContact CZ2-CD1 4.1Å; W621-F681 HydrophobicContact CZ3-CB 4.21Å; W621-F681 AromaticContact CZ3-CD1 3.74Å; W621-F681 HydrophobicContact CZ3-CD1 3.74Å; W621-F681 HydrophobicContact CZ3-CG 4.44Å; F681-F683 HydrophobicContact CE2-CD1 4.05Å; F681-I693 HydrophobicContact CD1-CB 4.18Å; F681-I693 HydrophobicContact CD1-CG2 4.25Å; F681-I693 HydrophobicContact CD2-CB 4.4Å; F681-I693 HydrophobicContact CE1-CB 3.7Å; F681-I693 HydrophobicContact CE1-CG2 3.47Å; F681-I693 VanDerWaalsContact CE1-CG2 3.47Å; F681-I693 HydrophobicContact CE2-CB 3.94Å; F681-I693 HydrophobicContact CE2-CD1 3.79Å; F681-I693 HydrophobicContact CE2-CG1 4.24Å; F681-I693 HydrophobicContact CE2-CG2 4.47Å; F681-I693 HydrophobicContact CZ-CB 3.58Å; F681-I693 HydrophobicContact CZ-CD1 3.58Å; F681-I693 HydrophobicContact CZ-CG1 4.09Å; F681-I693 HydrophobicContact CZ-CG2 3.61Å; F681-I693 PolarHBondContact N-O 3.28Å; F681-I693 PolarHBondContact O-N 3.22Å; F681-V695 HydrophobicContact CD1-CG2 4.13Å; F681-V695 HydrophobicContact CE1-CG2 3.78Å |
| 682 | V | 92.4 | Very high | 80.7 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 147 | 174.9 | -67.8 | 0 | 0 | 0 | 0 | 109.8 | L619 E620 V690 Y691 H692 W720 L725 | L619-V682 WeakPolarHBondContact CA-O 3.47Å; E620-V682 PolarHBondContact N-O 2.87Å; E620-V682 PolarHBondContact O-N 3.44Å; V682-V690 HydrophobicContact CB-CG1 4.13Å; V682-V690 HydrophobicContact CG1-CG1 4.44Å; V682-Y691 CarbonylContact C-O 3.55Å; V682-Y691 WeakPolarHBondContact CA-O 3.26Å; V682-H692 HydrophobicContact CG1-CB 4.3Å; V682-W720 HydrophobicContact CG1-CH2 4.48Å; V682-W720 HydrophobicContact CG1-CZ3 3.81Å; V682-W720 HydrophobicContact CG2-CE3 3.89Å; V682-W720 HydrophobicContact CG2-CZ3 3.98Å; V682-L725 HydrophobicContact CG2-CD1 4.4Å |
| 683 | F | 92.6 | Very high | 82.9 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.1 | 172.7 | 76.4 | -89.3 | 0 | 0 | 0 | 111 | F613 P614 V616 A618 L619 F681 V690 Y691 I693 | F613-F683 HydrophobicContact CE1-CE1 4.08Å; F613-F683 AromaticContact CE1-CE2 3.92Å; F613-F683 HydrophobicContact CE1-CE2 3.92Å; F613-F683 AromaticContact CE1-CZ 3.56Å; F613-F683 HydrophobicContact CE1-CZ 3.56Å; F613-F683 HydrophobicContact CE2-CE1 4.41Å; F613-F683 HydrophobicContact CE2-CZ 4.07Å; F613-F683 HydrophobicContact CZ-CD1 4.47Å; F613-F683 AromaticContact CZ-CE1 3.48Å; F613-F683 HydrophobicContact CZ-CE1 3.48Å; F613-F683 VanDerWaalsContact CZ-CE1 3.48Å; F613-F683 HydrophobicContact CZ-CE2 4.05Å; F613-F683 AromaticContact CZ-CZ 3.21Å; F613-F683 HydrophobicContact CZ-CZ 3.21Å; P614-F683 HydrophobicContact CB-CE2 4.41Å; V616-F683 HydrophobicContact CB-CD2 4.38Å; V616-F683 HydrophobicContact CG1-CB 4.01Å; V616-F683 HydrophobicContact CG1-CD2 4.23Å; V616-F683 HydrophobicContact CG1-CG 4.44Å; V616-F683 HydrophobicContact CG2-CD2 3.7Å; V616-F683 HydrophobicContact CG2-CE2 4.07Å; V616-F683 HydrophobicContact CG2-CG 4.26Å; A618-F683 CarbonylContact O-C 3.51Å; A618-F683 WeakPolarHBondContact O-CA 3.16Å; A618-F683 VanDerWaalsContact O-CB 3.31Å; A618-F683 WeakPolarHBondContact O-CB 3.38Å; L619-F683 HydrophobicContact CB-CB 4.05Å; L619-F683 HydrophobicContact CD1-CB 4.04Å; L619-F683 HydrophobicContact CG-CB 4.05Å; F681-F683 HydrophobicContact CE2-CD1 4.05Å; F683-V690 WeakPolarHBondContact O-CA 3.29Å; F683-Y691 HydrophobicContact CD2-CD2 4.09Å; F683-Y691 HydrophobicContact CE1-CD2 4.35Å; F683-Y691 AromaticContact CE1-CG 3.85Å; F683-Y691 HydrophobicContact CE1-CG 3.85Å; F683-Y691 AromaticContact CE2-CD2 3.48Å; F683-Y691 HydrophobicContact CE2-CD2 3.48Å; F683-Y691 VanDerWaalsContact CE2-CD2 3.48Å; F683-Y691 HydrophobicContact CE2-CE2 4.13Å; F683-Y691 AromaticContact CE2-CG 3.78Å; F683-Y691 HydrophobicContact CE2-CG 3.78Å; F683-Y691 AromaticContact CZ-CD1 4Å; F683-Y691 HydrophobicContact CZ-CD1 4Å; F683-Y691 AromaticContact CZ-CD2 3.64Å; F683-Y691 HydrophobicContact CZ-CD2 3.64Å; F683-Y691 HydrophobicContact CZ-CE2 4.44Å; F683-Y691 AromaticContact CZ-CG 3.39Å; F683-Y691 HydrophobicContact CZ-CG 3.39Å; F683-Y691 PolarHBondContact N-O 2.83Å; F683-Y691 PolarHBondContact O-N 2.84Å; F683-I693 HydrophobicContact CD1-CD1 4.1Å; F683-I693 HydrophobicContact CE1-CD1 3.54Å; F683-I693 HydrophobicContact CE1-CG1 4.09Å |
| 684 | T | 90.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152 | 176.1 | 48.8 | 0 | 0 | 0 | 0 | 112.1 | T617 A618 Q689 V690 I715 I718 | T617-T684 PolarHBondContact N-O 3.44Å; T617-T684 PolarHBondContact OG1-O 2.74Å; T617-T684 VanDerWaalsContact OG1-O 3.05Å; T617-T684 PolarHBondContact OG1-OG1 3.25Å; A618-T684 PolarHBondContact N-OG1 3.1Å; A618-T684 PolarHBondContact O-N 2.97Å; T684-Q689 VanDerWaalsContact CA-O 3.25Å; T684-Q689 WeakPolarHBondContact CA-O 3.42Å; T684-V690 HydrophobicContact CG2-CB 4.33Å; T684-V690 HydrophobicContact CG2-CG2 3.7Å; T684-I715 HydrophobicContact CG2-CB 4.32Å; T684-I715 HydrophobicContact CG2-CD1 3.55Å; T684-I715 HydrophobicContact CG2-CG2 4.24Å; T684-I718 HydrophobicContact CG2-CD1 3.61Å |
| 685 | D | 89 | Confident | 86.4 | Confident | 8 Ų | 8 | 26.6 Ų | 26.6 | 4% | 0.043 | 13% | 0.133 | C | C | . | . | trans | -96.4 | -176.8 | 169.5 | 66.4 | 13 | 0 | 0 | 0 | 112.8 | P614 T615 T617 D687 G688 Q689 Y691 | P614-D685 HydrophobicContact CB-CB 3.89Å; T615-D685 VanDerWaalsContact O-CA 3.29Å; T615-D685 WeakPolarHBondContact O-CA 3.06Å; T617-D685 PolarHBondContact OG1-O 3.04Å; T617-D685 VanDerWaalsContact OG1-O 3.04Å; D685-D687 PolarHBondContact O-N 3.44Å; D685-D687 WeakPolarHBondContact OD1-CA 2.89Å; D685-D687 PolarHBondContact OD1-N 2.79Å; D685-D687 VanDerWaalsContact OD1-N 3.08Å; D685-G688 PolarHBondContact O-N 3.37Å; D685-G688 PolarHBondContact OD1-N 3.05Å; D685-Q689 PolarHBondContact N-O 3.09Å; D685-Q689 PolarHBondContact OD1-N 3.1Å; D685-Y691 HydrophobicContact CB-CE2 3.92Å; D685-Y691 VanDerWaalsContact OD2-CE2 3.24Å; D685-Y691 WeakPolarHBondContact OD2-CE2 3.42Å; D685-Y691 PolarHBondContact OD2-OH 2.88Å | ||
| 686 | T | 85.2 | Confident | 87.4 | Confident | 74 Ų | 74 | 26.8 Ų | 26.8 | 45% | 0.454 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -26.4 | 177.2 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | T615 T617 G688 S714 | T615-T686 WeakPolarHBondContact OG1-CG2 3.39Å; T617-T686 HydrophobicContact CG2-CG2 3.98Å; T686-G688 VanDerWaalsContact C-N 3.29Å; T686-S714 PolarHBondContact O-OG 2.77Å |
| 687 | D | 83.9 | Confident | 87.8 | Confident | 113 Ų | 113 | 27.1 Ų | 27.1 | 60% | 0.604 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.2 | -179.6 | -58.9 | -24.8 | 0 | 0 | 0 | 112.1 | D685 Q689 P708 | D685-D687 PolarHBondContact O-N 3.44Å; D685-D687 WeakPolarHBondContact OD1-CA 2.89Å; D685-D687 PolarHBondContact OD1-N 2.79Å; D685-D687 VanDerWaalsContact OD1-N 3.08Å; D687-Q689 VanDerWaalsContact C-N 3.34Å; D687-P708 WeakPolarHBondContact O-CB 3.43Å |
| 688 | G | 80.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | trans | 78.5 | 10.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | D685 T686 | D685-G688 PolarHBondContact O-N 3.37Å; D685-G688 PolarHBondContact OD1-N 3.05Å; T686-G688 VanDerWaalsContact C-N 3.29Å | ||
| 689 | Q | 86.9 | Confident | 87.6 | Confident | 60 Ų | 60 | 31.6 Ų | 31.6 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | trans | -70.9 | 134.6 | 173.4 | -73.6 | 179.4 | 42.4 | 0 | 0 | 110.4 | T684 D685 D687 Y691 | T684-Q689 VanDerWaalsContact CA-O 3.25Å; T684-Q689 WeakPolarHBondContact CA-O 3.42Å; D685-Q689 PolarHBondContact N-O 3.09Å; D685-Q689 PolarHBondContact OD1-N 3.1Å; D687-Q689 VanDerWaalsContact C-N 3.34Å; Q689-Y691 HydrophobicContact CB-CE2 3.8Å; Q689-Y691 WeakPolarHBondContact O-CD2 3.38Å | ||
| 690 | V | 88 | Confident | 87.3 | Confident | 6 Ų | 6 | 32 Ų | 32 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.4 | 177.5 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | V682 F683 T684 R705 I706 | V682-V690 HydrophobicContact CB-CG1 4.13Å; V682-V690 HydrophobicContact CG1-CG1 4.44Å; F683-V690 WeakPolarHBondContact O-CA 3.29Å; T684-V690 HydrophobicContact CG2-CB 4.33Å; T684-V690 HydrophobicContact CG2-CG2 3.7Å; V690-R705 WeakPolarHBondContact O-CA 3.49Å; V690-I706 HydrophobicContact CB-CB 4.21Å; V690-I706 HydrophobicContact CB-CD1 4.33Å; V690-I706 HydrophobicContact CG1-CD1 4.3Å; V690-I706 PolarHBondContact N-O 2.8Å; V690-I706 PolarHBondContact O-N 2.74Å |
| 691 | Y | 89.6 | Confident | 87.1 | Confident | 26 Ų | 26 | 36.5 Ų | 36.5 | 10% | 0.102 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 140 | 176.9 | -62.7 | -100.5 | 0 | 0 | 0 | 110.1 | P614 V682 F683 D685 Q689 R705 | P614-Y691 HydrophobicContact CB-CE2 4.44Å; P614-Y691 HydrophobicContact CG-CE1 4.09Å; P614-Y691 HydrophobicContact CG-CE2 4.29Å; V682-Y691 CarbonylContact C-O 3.55Å; V682-Y691 WeakPolarHBondContact CA-O 3.26Å; F683-Y691 HydrophobicContact CD2-CD2 4.09Å; F683-Y691 HydrophobicContact CE1-CD2 4.35Å; F683-Y691 AromaticContact CE1-CG 3.85Å; F683-Y691 HydrophobicContact CE1-CG 3.85Å; F683-Y691 AromaticContact CE2-CD2 3.48Å; F683-Y691 HydrophobicContact CE2-CD2 3.48Å; F683-Y691 VanDerWaalsContact CE2-CD2 3.48Å; F683-Y691 HydrophobicContact CE2-CE2 4.13Å; F683-Y691 AromaticContact CE2-CG 3.78Å; F683-Y691 HydrophobicContact CE2-CG 3.78Å; F683-Y691 AromaticContact CZ-CD1 4Å; F683-Y691 HydrophobicContact CZ-CD1 4Å; F683-Y691 AromaticContact CZ-CD2 3.64Å; F683-Y691 HydrophobicContact CZ-CD2 3.64Å; F683-Y691 HydrophobicContact CZ-CE2 4.44Å; F683-Y691 AromaticContact CZ-CG 3.39Å; F683-Y691 HydrophobicContact CZ-CG 3.39Å; F683-Y691 PolarHBondContact N-O 2.83Å; F683-Y691 PolarHBondContact O-N 2.84Å; D685-Y691 HydrophobicContact CB-CE2 3.92Å; D685-Y691 VanDerWaalsContact OD2-CE2 3.24Å; D685-Y691 WeakPolarHBondContact OD2-CE2 3.42Å; D685-Y691 PolarHBondContact OD2-OH 2.88Å; Q689-Y691 HydrophobicContact CB-CE2 3.8Å; Q689-Y691 WeakPolarHBondContact O-CD2 3.38Å; Y691-R705 HydrophobicContact CD1-CG 3.79Å; Y691-R705 HydrophobicContact CE1-CG 4.01Å |
| 692 | H | 90.2 | Very high | 86.6 | Confident | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.222 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.9 | 174.1 | 170.3 | -121.7 | 0 | 0 | 0 | 110.4 | H680 V682 T694 G703 A704 | H680-H692 AromaticContact CG-NE2 3.71Å; H680-H692 AromaticContact ND1-CE1 3.56Å; H680-H692 AromaticContact ND1-NE2 3.05Å; H680-H692 PolarHBondContact ND1-NE2 3.03Å; V682-H692 HydrophobicContact CG1-CB 4.3Å; H692-T694 VanDerWaalsContact CE1-CG2 3.42Å; H692-T694 WeakPolarHBondContact CE1-CG2 3.37Å; H692-G703 WeakPolarHBondContact O-CA 3.26Å; H692-G703 PolarHBondContact O-N 3.42Å; H692-A704 WeakPolarHBondContact CB-O 3.32Å; H692-A704 PolarHBondContact N-O 2.68Å |
| 693 | I | 90.4 | Very high | 85.9 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.1 | 176.8 | -65.9 | -179.9 | 0 | 0 | 0 | 109.7 | M609 F613 H680 F681 F683 V695 V700 | M609-I693 HydrophobicContact CE-CD1 4.09Å; F613-I693 HydrophobicContact CE2-CD1 4.3Å; F613-I693 HydrophobicContact CZ-CD1 3.93Å; H680-I693 WeakPolarHBondContact CA-O 3.38Å; F681-I693 HydrophobicContact CD1-CB 4.18Å; F681-I693 HydrophobicContact CD1-CG2 4.25Å; F681-I693 HydrophobicContact CD2-CB 4.4Å; F681-I693 HydrophobicContact CE1-CB 3.7Å; F681-I693 HydrophobicContact CE1-CG2 3.47Å; F681-I693 VanDerWaalsContact CE1-CG2 3.47Å; F681-I693 HydrophobicContact CE2-CB 3.94Å; F681-I693 HydrophobicContact CE2-CD1 3.79Å; F681-I693 HydrophobicContact CE2-CG1 4.24Å; F681-I693 HydrophobicContact CE2-CG2 4.47Å; F681-I693 HydrophobicContact CZ-CB 3.58Å; F681-I693 HydrophobicContact CZ-CD1 3.58Å; F681-I693 HydrophobicContact CZ-CG1 4.09Å; F681-I693 HydrophobicContact CZ-CG2 3.61Å; F681-I693 PolarHBondContact N-O 3.28Å; F681-I693 PolarHBondContact O-N 3.22Å; F683-I693 HydrophobicContact CD1-CD1 4.1Å; F683-I693 HydrophobicContact CE1-CD1 3.54Å; F683-I693 HydrophobicContact CE1-CG1 4.09Å; I693-V695 HydrophobicContact CG2-CG2 4.33Å; I693-V700 HydrophobicContact CG2-CG1 3.51Å |
| 694 | T | 89.4 | Confident | 85.3 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.049 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.1 | 175.9 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | R678 H680 H692 V700 K701 | R678-T694 PolarHBondContact NH2-OG1 3.48Å; R678-T694 VanDerWaalsContact NH2-OG1 3.11Å; H680-T694 WeakPolarHBondContact ND1-CG2 3.39Å; H692-T694 VanDerWaalsContact CE1-CG2 3.42Å; H692-T694 WeakPolarHBondContact CE1-CG2 3.37Å; T694-V700 WeakPolarHBondContact O-CA 3.42Å; T694-K701 PolarHBondContact N-O 3.39Å; T694-K701 PolarHBondContact O-N 3.24Å; T694-K701 PolarHBondContact OG1-O 3.45Å |
| 695 | V | 88.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.9 | -176.5 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | Y585 L597 W621 R678 E679 F681 I693 T699 V700 | Y585-V695 HydrophobicContact CD1-CG1 4.15Å; Y585-V695 HydrophobicContact CD2-CG1 3.98Å; Y585-V695 HydrophobicContact CE1-CG1 3.95Å; Y585-V695 HydrophobicContact CE2-CG1 3.8Å; Y585-V695 HydrophobicContact CG-CG1 4.13Å; L597-V695 HydrophobicContact CD2-CG1 3.88Å; L597-V695 HydrophobicContact CD2-CG2 3.87Å; W621-V695 HydrophobicContact CH2-CB 4.49Å; W621-V695 HydrophobicContact CH2-CG2 4.13Å; W621-V695 HydrophobicContact CZ3-CG2 4.38Å; R678-V695 WeakPolarHBondContact CA-O 3.5Å; E679-V695 PolarHBondContact N-O 3.02Å; E679-V695 PolarHBondContact O-N 2.91Å; F681-V695 HydrophobicContact CD1-CG2 4.13Å; F681-V695 HydrophobicContact CE1-CG2 3.78Å; I693-V695 HydrophobicContact CG2-CG2 4.33Å; V695-T699 WeakPolarHBondContact CA-O 3.39Å; V695-V700 HydrophobicContact CG1-CG2 4.46Å; V695-V700 HydrophobicContact CG2-CG1 4.37Å; V695-V700 HydrophobicContact CG2-CG2 4.37Å |
| 696 | E | 86.7 | Confident | 84.6 | Confident | 53 Ų | 53 | 56.3 Ų | 56.3 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 110.9 | 174.5 | -174.3 | 176.1 | -174.3 | 0 | 0 | 110.1 | K633 R678 N698 T699 | K633-E696 IonicContact NZ-OE1 3.01Å; K633-E696 PolarHBondContact NZ-OE1 3.02Å; R678-E696 HydrophobicContact CB-CB 4.14Å; R678-E696 HydrophobicContact CB-CG 4.12Å; R678-E696 HydrophobicContact CG-CB 4.15Å; E696-N698 PolarHBondContact O-N 2.97Å; E696-T699 PolarHBondContact N-O 3.12Å; E696-T699 WeakPolarHBondContact O-CB 3.29Å; E696-T699 PolarHBondContact O-N 3.45Å; E696-T699 PolarHBondContact O-OG1 2.98Å |
| 697 | G | 80.8 | Confident | 84.2 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -123.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y585 T699 | Y585-G697 WeakPolarHBondContact OH-CA 3.33Å; Y585-G697 PolarHBondContact OH-N 3.35Å; Y585-G697 PolarHBondContact OH-O 3.39Å; G697-T699 VanDerWaalsContact C-N 3.34Å |
| 698 | N | 79.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 55.2 Ų | 55.2 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 1.5 | 176.2 | -62.6 | 3.8 | 0 | 0 | 0 | 112.9 | L606 E696 | L606-N698 VanDerWaalsContact CD2-OD1 3.32Å; L606-N698 WeakPolarHBondContact CD2-OD1 3.18Å; E696-N698 PolarHBondContact O-N 2.97Å |
| 699 | T | 81.7 | Confident | 83.2 | Confident | 71 Ų | 71 | 58.2 Ų | 58.2 | 44% | 0.436 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 124.9 | -178.3 | 68.7 | 0 | 0 | 0 | 0 | 110.9 | V695 E696 G697 | V695-T699 WeakPolarHBondContact CA-O 3.39Å; E696-T699 PolarHBondContact N-O 3.12Å; E696-T699 WeakPolarHBondContact O-CB 3.29Å; E696-T699 PolarHBondContact O-N 3.45Å; E696-T699 PolarHBondContact O-OG1 2.98Å; G697-T699 VanDerWaalsContact C-N 3.34Å |
| 700 | V | 84.5 | Confident | 82.2 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.067 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124.3 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 108.1 | L597 R607 I693 T694 V695 | L597-V700 HydrophobicContact CD2-CG2 3.41Å; L597-V700 VanDerWaalsContact CD2-CG2 3.41Å; R607-V700 HydrophobicContact CB-CG2 4.48Å; R607-V700 PolarHBondContact NH1-O 3.26Å; I693-V700 HydrophobicContact CG2-CG1 3.51Å; T694-V700 WeakPolarHBondContact O-CA 3.42Å; V695-V700 HydrophobicContact CG1-CG2 4.46Å; V695-V700 HydrophobicContact CG2-CG1 4.37Å; V695-V700 HydrophobicContact CG2-CG2 4.37Å |
| 701 | K | 84.9 | Confident | 81.4 | Confident | 131 Ų | 131 | 62.7 Ų | 62.7 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.9 | -178.4 | -62.1 | -179 | 180 | -179.8 | 0 | 110.7 | T694 | T694-K701 PolarHBondContact N-O 3.39Å; T694-K701 PolarHBondContact O-N 3.24Å; T694-K701 PolarHBondContact OG1-O 3.45Å |
| 702 | D | 82.6 | Confident | 80.8 | Confident | 112 Ų | 112 | 63 Ų | 63 | 60% | 0.599 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 131.9 | 174.1 | -57.4 | -35.5 | 0 | 0 | 0 | 110.2 | ||
| 703 | G | 78.6 | Confident | 80.4 | Confident | 34 Ų | 34 | 61.8 Ų | 61.8 | 35% | 0.351 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -153.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H692 | H692-G703 WeakPolarHBondContact O-CA 3.26Å; H692-G703 PolarHBondContact O-N 3.42Å |
| 704 | A | 78.8 | Confident | 80.2 | Confident | 64 Ų | 64 | 64 Ų | 64 | 53% | 0.529 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 148.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | H692 | H692-A704 WeakPolarHBondContact CB-O 3.32Å; H692-A704 PolarHBondContact N-O 2.68Å |
| 705 | R | 83.3 | Confident | 80.3 | Confident | 172 Ų | 172 | 63.9 Ų | 63.9 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.9 | 169.5 | -58.2 | -178.4 | -172.5 | -179.8 | 0 | 108.1 | V690 Y691 | V690-R705 WeakPolarHBondContact O-CA 3.49Å; Y691-R705 HydrophobicContact CD1-CG 3.79Å; Y691-R705 HydrophobicContact CE1-CG 4.01Å |
| 706 | I | 82.3 | Confident | 80.4 | Confident | 54 Ų | 54 | 65.1 Ų | 65.1 | 28% | 0.277 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.9 | 178.3 | -60.2 | 132.8 | 0 | 0 | 0 | 107.4 | V690 W737 | V690-I706 HydrophobicContact CB-CB 4.21Å; V690-I706 HydrophobicContact CB-CD1 4.33Å; V690-I706 HydrophobicContact CG1-CD1 4.3Å; V690-I706 PolarHBondContact N-O 2.8Å; V690-I706 PolarHBondContact O-N 2.74Å; I706-W737 HydrophobicContact CB-CH2 4.24Å; I706-W737 HydrophobicContact CD1-CH2 3.57Å; I706-W737 HydrophobicContact CD1-CZ3 3.93Å; I706-W737 HydrophobicContact CG1-CH2 3.88Å; I706-W737 HydrophobicContact CG2-CH2 3.63Å; I706-W737 HydrophobicContact CG2-CZ2 4.42Å; I706-W737 HydrophobicContact CG2-CZ3 4.15Å |
| 707 | P | 77.2 | Confident | 80.6 | Confident | 101 Ų | 101 | 63.1 Ų | 63.1 | 66% | 0.656 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 154.9 | 179 | 27.9 | -33.9 | 0 | 0 | 0 | 111.7 | ||
| 708 | P | 71.9 | Confident | 81.3 | Confident | 63 Ų | 63 | 62.6 Ų | 62.6 | 41% | 0.409 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65 | 147.3 | 179.2 | 29 | -35.2 | 0 | 0 | 0 | 110.8 | D687 | D687-P708 WeakPolarHBondContact O-CB 3.43Š|
| 709 | D | 70.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 57 Ų | 57 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 126 | 169.6 | -155.7 | -11.5 | 0 | 0 | 0 | 108.2 | S711 M712 N735 S744 | D709-S711 PolarHBondContact O-N 2.94Å; D709-M712 HydrophobicContact CB-CG 4.38Å; D709-M712 PolarHBondContact O-N 2.76Å; D709-M712 VanDerWaalsContact O-N 3.07Å; D709-N735 PolarHBondContact OD2-ND2 3.49Å; D709-N735 VanDerWaalsContact OD2-ND2 3.14Å; D709-S744 PolarHBondContact OD2-OG 3.33Å |
| 710 | G | 66.5 | Low | 82.4 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 89% | 0.887 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 711 | S | 71.4 | Confident | 82.7 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -7.3 | 177.2 | 65.3 | 0 | 0 | 0 | 0 | 114.6 | D709 | D709-S711 PolarHBondContact O-N 2.94Š|
| 712 | M | 76.6 | Confident | 82.8 | Confident | 31 Ų | 31 | 52 Ų | 52 | 15% | 0.153 | 34% | 0.336 | C | S | . | . | trans | -103.6 | 138.7 | -173.1 | -65.9 | -67.6 | -81.5 | 0 | 0 | 111.7 | D709 L727 D729 N733 N735 | D709-M712 HydrophobicContact CB-CG 4.38Å; D709-M712 PolarHBondContact O-N 2.76Å; D709-M712 VanDerWaalsContact O-N 3.07Å; M712-L727 HydrophobicContact CE-CB 4.13Å; M712-D729 HydrophobicContact CE-CB 4.19Å; M712-N733 HydrophobicContact SD-CB 3.86Å; M712-N735 HydrophobicContact CE-CB 3.57Å; M712-N735 HydrophobicContact CG-CB 4.29Å; M712-N735 HydrophobicContact SD-CB 3.75Å | ||
| 713 | G | 81.1 | Confident | 83.1 | Confident | 23 Ų | 23 | 51 Ų | 51 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | trans | -74.6 | -165.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I715 D729 | G713-I715 PolarHBondContact O-N 2.83Å; G713-D729 PolarHBondContact N-OD2 3.26Å | ||
| 714 | S | 88.1 | Confident | 83.6 | Confident | 48 Ų | 48 | 50.5 Ų | 50.5 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -61.6 | 126.2 | 175.2 | -162.6 | 0 | 0 | 0 | 0 | 110.4 | T686 A716 D729 V730 | T686-S714 PolarHBondContact O-OG 2.77Å; S714-A716 PolarHBondContact O-N 3.42Å; S714-D729 WeakPolarHBondContact O-CA 3.49Å; S714-D729 WeakPolarHBondContact O-CB 3.41Å; S714-V730 WeakPolarHBondContact O-CG2 3.31Å; S714-V730 PolarHBondContact O-N 3.41Å; S714-V730 VanDerWaalsContact O-N 3.07Å |
| 715 | I | 90.8 | Very high | 84.2 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 120.6 | -174.3 | -61.3 | 168.8 | 0 | 0 | 0 | 109 | T617 A618 T684 G713 I718 L727 | T617-I715 VanDerWaalsContact CB-O 3.25Å; T617-I715 WeakPolarHBondContact CB-O 3.36Å; T617-I715 PolarHBondContact OG1-O 3.33Å; A618-I715 HydrophobicContact CB-CG2 4.46Å; T684-I715 HydrophobicContact CG2-CB 4.32Å; T684-I715 HydrophobicContact CG2-CD1 3.55Å; T684-I715 HydrophobicContact CG2-CG2 4.24Å; G713-I715 PolarHBondContact O-N 2.83Å; I715-I718 HydrophobicContact CG2-CG1 4.02Å; I715-L727 HydrophobicContact CD1-CD1 4.14Å; I715-L727 HydrophobicContact CG2-CB 4.43Å |
| 716 | A | 90.6 | Very high | 84.7 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -31.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | S714 G728 V730 V754 | S714-A716 PolarHBondContact O-N 3.42Å; A716-G728 PolarHBondContact N-O 3.1Å; A716-V730 HydrophobicContact CB-CG2 4.13Å; A716-V754 VanDerWaalsContact CB-O 3.31Å; A716-V754 WeakPolarHBondContact CB-O 3.35Å |
| 717 | C | 91.7 | Very high | 85.2 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 8% | 0.081 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.4 | -178.6 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | G728 I757 | C717-G728 PolarHBondContact N-O 2.78Å; C717-G728 PolarHBondContact O-N 3.19Å; C717-I757 VanDerWaalsContact SG-CD1 3.54Å; C717-I757 VanDerWaalsContact SG-CG1 3.55Å |
| 718 | I | 93.7 | Very high | 85.9 | Confident | 7 Ų | 7 | 32.6 Ų | 32.6 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 140.5 | -177.3 | -57 | 175 | 0 | 0 | 0 | 108.8 | A618 E620 T684 I715 L725 V726 L727 | A618-I718 HydrophobicContact CB-CB 4.42Å; A618-I718 HydrophobicContact CB-CD1 3.81Å; A618-I718 HydrophobicContact CB-CG1 3.64Å; E620-I718 HydrophobicContact CB-CB 4.32Å; E620-I718 HydrophobicContact CB-CG2 4.03Å; T684-I718 HydrophobicContact CG2-CD1 3.61Å; I715-I718 HydrophobicContact CG2-CG1 4.02Å; I718-L725 HydrophobicContact CG2-CD1 3.61Å; I718-L725 HydrophobicContact CG2-CG 4.34Å; I718-V726 WeakPolarHBondContact CA-O 3.4Å; I718-L727 HydrophobicContact CB-CD2 4.25Å; I718-L727 HydrophobicContact CD1-CD2 4.02Å; I718-L727 HydrophobicContact CG1-CD2 3.62Å; I718-L727 HydrophobicContact CG2-CD2 3.91Å |
| 719 | A | 93.8 | Very high | 86.9 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | V726 I757 F759 L768 | A719-V726 PolarHBondContact N-O 2.83Å; A719-V726 PolarHBondContact O-N 3.49Å; A719-I757 HydrophobicContact CB-CB 4.13Å; A719-I757 HydrophobicContact CB-CG2 3.59Å; A719-F759 HydrophobicContact CB-CD2 3.8Å; A719-F759 HydrophobicContact CB-CE2 3.91Å; A719-L768 HydrophobicContact CB-CD1 4.36Å |
| 720 | W | 91.9 | Very high | 87.8 | Confident | 37 Ų | 37 | 29.3 Ų | 29.3 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 125.7 | -177.6 | -167.6 | -6.4 | 0 | 0 | 0 | 111.3 | E620 S622 P623 V682 G722 L725 L739 | E620-W720 HydrophobicContact CG-CB 4.2Å; S622-W720 VanDerWaalsContact CA-CE3 3.47Å; S622-W720 VanDerWaalsContact CB-CH2 3.44Å; S622-W720 WeakPolarHBondContact OG-CH2 3.41Å; S622-W720 WeakPolarHBondContact OG-CZ2 3.3Å; P623-W720 HydrophobicContact CG-CG 4.36Å; V682-W720 HydrophobicContact CG1-CH2 4.48Å; V682-W720 HydrophobicContact CG1-CZ3 3.81Å; V682-W720 HydrophobicContact CG2-CE3 3.89Å; V682-W720 HydrophobicContact CG2-CZ3 3.98Å; W720-G722 PolarHBondContact NE1-O 3.39Å; W720-L725 HydrophobicContact CB-CD1 3.6Å; W720-L725 HydrophobicContact CD2-CD1 4.01Å; W720-L725 HydrophobicContact CE3-CD1 4.26Å; W720-L725 HydrophobicContact CG-CD1 3.73Å; W720-L739 HydrophobicContact CZ2-CD1 3.58Å |
| 721 | K | 90.3 | Very high | 88.8 | Confident | 31 Ų | 31 | 30.1 Ų | 30.1 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 121.1 | 170.5 | -175 | 167.5 | -176.2 | 173.7 | 0 | 112.9 | D723 T724 F759 A760 G762 N765 | K721-D723 PolarHBondContact O-N 3.43Å; K721-T724 PolarHBondContact N-O 3.04Å; K721-T724 PolarHBondContact O-N 2.97Å; K721-F759 HydrophobicContact CB-CB 4.08Å; K721-F759 HydrophobicContact CB-CD1 3.83Å; K721-F759 HydrophobicContact CB-CD2 3.49Å; K721-F759 VanDerWaalsContact CB-CD2 3.49Å; K721-F759 HydrophobicContact CB-CE1 4.05Å; K721-F759 HydrophobicContact CB-CE2 3.76Å; K721-F759 HydrophobicContact CB-CG 3.53Å; K721-F759 HydrophobicContact CB-CZ 4.02Å; K721-F759 HydrophobicContact CD-CB 3.7Å; K721-F759 HydrophobicContact CD-CD1 3.85Å; K721-F759 HydrophobicContact CD-CG 3.84Å; K721-F759 HydrophobicContact CG-CD1 4.46Å; K721-F759 HydrophobicContact CG-CG 4.34Å; K721-A760 PolarHBondContact NZ-O 3.27Å; K721-G762 WeakPolarHBondContact CE-O 3.46Å; K721-G762 PolarHBondContact NZ-O 3.41Å; K721-N765 WeakPolarHBondContact CE-O 3.43Å; K721-N765 PolarHBondContact NZ-O 2.81Å |
| 722 | G | 86.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 26.6 Ų | 26.6 | 42% | 0.423 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -124.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | W720 | W720-G722 PolarHBondContact NE1-O 3.39Š|
| 723 | D | 88.5 | Confident | 90.3 | Very high | 90 Ų | 90 | 26.8 Ų | 26.8 | 48% | 0.481 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.8 | 178.7 | -59.3 | -25.7 | 0 | 0 | 0 | 112.8 | K721 L739 K740 | K721-D723 PolarHBondContact O-N 3.43Å; D723-L739 WeakPolarHBondContact O-CB 3.41Å; D723-L739 WeakPolarHBondContact O-CG 3.48Å; D723-L739 PolarHBondContact O-N 3.12Å; D723-K740 HydrophobicContact CB-CB 4.05Å |
| 724 | T | 90.4 | Very high | 90.9 | Very high | 24 Ų | 24 | 25.7 Ų | 25.7 | 15% | 0.147 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 125 | -177.6 | -48.4 | 0 | 0 | 0 | 0 | 111 | K721 V726 W737 F759 | K721-T724 PolarHBondContact N-O 3.04Å; K721-T724 PolarHBondContact O-N 2.97Å; T724-V726 HydrophobicContact CG2-CG2 4.19Å; T724-W737 WeakPolarHBondContact CA-O 3.28Å; T724-F759 HydrophobicContact CG2-CZ 4.2Å |
| 725 | L | 91.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.6 | 172.7 | -173.9 | 71 | 0 | 0 | 0 | 108.9 | V682 I718 W720 L727 W737 L739 | V682-L725 HydrophobicContact CG2-CD1 4.4Å; I718-L725 HydrophobicContact CG2-CD1 3.61Å; I718-L725 HydrophobicContact CG2-CG 4.34Å; W720-L725 HydrophobicContact CB-CD1 3.6Å; W720-L725 HydrophobicContact CD2-CD1 4.01Å; W720-L725 HydrophobicContact CE3-CD1 4.26Å; W720-L725 HydrophobicContact CG-CD1 3.73Å; L725-L727 HydrophobicContact CD2-CD2 4.39Å; L725-L727 HydrophobicContact CG-CD2 4.39Å; L725-W737 HydrophobicContact CB-CB 4.31Å; L725-W737 HydrophobicContact CD2-CE3 3.83Å; L725-W737 HydrophobicContact CD2-CZ3 4.23Å; L725-W737 PolarHBondContact N-O 3.18Å; L725-W737 WeakPolarHBondContact O-CA 3.1Å; L725-W737 PolarHBondContact O-N 2.83Å; L725-L739 HydrophobicContact CB-CD1 4.5Å; L725-L739 HydrophobicContact CB-CD2 4.49Å; L725-L739 HydrophobicContact CB-CG 4.48Å |
| 726 | V | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.8 | 179.8 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | I718 A719 T724 N735 F736 I757 F759 L768 | I718-V726 WeakPolarHBondContact CA-O 3.4Å; A719-V726 PolarHBondContact N-O 2.83Å; A719-V726 PolarHBondContact O-N 3.49Å; T724-V726 HydrophobicContact CG2-CG2 4.19Å; V726-N735 WeakPolarHBondContact CA-O 3.13Å; V726-F736 HydrophobicContact CB-CD1 4.46Å; V726-F736 HydrophobicContact CG1-CD1 4.08Å; V726-F736 HydrophobicContact CG1-CE1 3.96Å; V726-F736 HydrophobicContact CG1-CZ 4.4Å; V726-F736 HydrophobicContact CG2-CD1 3.53Å; V726-F736 HydrophobicContact CG2-CE1 3.87Å; V726-F736 HydrophobicContact CG2-CG 4.41Å; V726-I757 HydrophobicContact CG1-CD1 4.39Å; V726-F759 HydrophobicContact CG2-CE2 4.18Å; V726-F759 HydrophobicContact CG2-CZ 3.73Å; V726-L768 HydrophobicContact CB-CD2 4.28Å; V726-L768 HydrophobicContact CG1-CD2 3.84Å; V726-L768 HydrophobicContact CG2-CD2 4.17Å |
| 727 | L | 92.3 | Very high | 91 | Very high | 11 Ų | 11 | 25.1 Ų | 25.1 | 6% | 0.058 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.8 | 179.6 | -50.7 | 174.2 | 0 | 0 | 0 | 109 | M712 I715 I718 L725 L734 N735 | M712-L727 HydrophobicContact CE-CB 4.13Å; I715-L727 HydrophobicContact CD1-CD1 4.14Å; I715-L727 HydrophobicContact CG2-CB 4.43Å; I718-L727 HydrophobicContact CB-CD2 4.25Å; I718-L727 HydrophobicContact CD1-CD2 4.02Å; I718-L727 HydrophobicContact CG1-CD2 3.62Å; I718-L727 HydrophobicContact CG2-CD2 3.91Å; L725-L727 HydrophobicContact CD2-CD2 4.39Å; L725-L727 HydrophobicContact CG-CD2 4.39Å; L727-L734 CarbonylContact O-C 3.59Å; L727-L734 WeakPolarHBondContact O-CA 3.26Å; L727-N735 HydrophobicContact CB-CB 4.33Å; L727-N735 PolarHBondContact N-O 3.45Å; L727-N735 PolarHBondContact O-N 3.12Å |
| 728 | G | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | A716 C717 N733 | A716-G728 PolarHBondContact N-O 3.1Å; C717-G728 PolarHBondContact N-O 2.78Å; C717-G728 PolarHBondContact O-N 3.19Å; G728-N733 WeakPolarHBondContact CA-O 3.4Å |
| 729 | D | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 176.5 | -179.8 | 71.8 | 12.8 | 0 | 0 | 0 | 113.6 | M712 G713 S714 D731 G732 N733 V754 | M712-D729 HydrophobicContact CE-CB 4.19Å; G713-D729 PolarHBondContact N-OD2 3.26Å; S714-D729 WeakPolarHBondContact O-CA 3.49Å; S714-D729 WeakPolarHBondContact O-CB 3.41Å; D729-D731 VanDerWaalsContact C-N 3.27Å; D729-D731 PolarHBondContact OD1-N 3.03Å; D729-G732 PolarHBondContact OD1-N 3.48Å; D729-N733 PolarHBondContact N-O 2.96Å; D729-N733 PolarHBondContact OD1-N 3.1Å; D729-N733 VanDerWaalsContact OD2-CB 3.31Å; D729-N733 WeakPolarHBondContact OD2-CB 3.17Å; D729-N733 PolarHBondContact OD2-ND2 3.12Å; D729-V754 WeakPolarHBondContact O-CG2 3.27Å; D729-V754 PolarHBondContact O-N 3.45Å; D729-V754 VanDerWaalsContact O-N 3.15Å |
| 730 | V | 90.3 | Very high | 90 | Very high | 60 Ų | 60 | 37.8 Ų | 37.8 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -71.9 | -19.5 | 177.1 | 179.6 | 0 | 0 | 0 | 0 | 112.6 | S714 A716 W753 | S714-V730 WeakPolarHBondContact O-CG2 3.31Å; S714-V730 PolarHBondContact O-N 3.41Å; S714-V730 VanDerWaalsContact O-N 3.07Å; A716-V730 HydrophobicContact CB-CG2 4.13Å; V730-W753 HydrophobicContact CG1-CB 4.38Å; V730-W753 HydrophobicContact CG1-CD2 4.26Å; V730-W753 HydrophobicContact CG1-CG 4.13Å; V730-W753 WeakPolarHBondContact O-CA 3.42Å; V730-W753 WeakPolarHBondContact O-CB 3.46Å; V730-W753 PolarHBondContact O-N 3.47Å; V730-W753 VanDerWaalsContact O-N 3.15Å |
| 731 | D | 88.8 | Confident | 89.6 | Confident | 104 Ų | 104 | 38.5 Ų | 38.5 | 56% | 0.556 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -88.7 | -14.8 | -179.1 | -62.9 | -48.8 | 0 | 0 | 0 | 113 | D729 G752 | D729-D731 VanDerWaalsContact C-N 3.27Å; D729-D731 PolarHBondContact OD1-N 3.03Å; D731-G752 WeakPolarHBondContact O-CA 3.33Å |
| 732 | G | 88.3 | Confident | 89.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 101.5 | 14.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D729 T749 G752 | D729-G732 PolarHBondContact OD1-N 3.48Å; G732-T749 WeakPolarHBondContact O-CB 3.28Å; G732-T749 WeakPolarHBondContact O-CG2 3.22Å; G732-T749 PolarHBondContact O-N 3.06Å; G732-T749 PolarHBondContact O-OG1 2.88Å; G732-G752 WeakPolarHBondContact CA-O 3.49Å; G732-G752 PolarHBondContact N-O 3.43Å |
| 733 | N | 91.1 | Very high | 89.1 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 140.3 | 174 | -49.7 | -53.2 | 0 | 0 | 0 | 110.7 | M712 G728 D729 I747 P748 | M712-N733 HydrophobicContact SD-CB 3.86Å; G728-N733 WeakPolarHBondContact CA-O 3.4Å; D729-N733 PolarHBondContact N-O 2.96Å; D729-N733 PolarHBondContact OD1-N 3.1Å; D729-N733 VanDerWaalsContact OD2-CB 3.31Å; D729-N733 WeakPolarHBondContact OD2-CB 3.17Å; D729-N733 PolarHBondContact OD2-ND2 3.12Å; N733-I747 WeakPolarHBondContact CA-O 3.05Å; N733-P748 VanDerWaalsContact OD1-CA 3.25Å; N733-P748 WeakPolarHBondContact OD1-CA 3.4Å; N733-P748 VanDerWaalsContact OD1-CB 3.3Å; N733-P748 WeakPolarHBondContact OD1-CB 3.42Å |
| 734 | L | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122 | 173.2 | -64.4 | 177 | 0 | 0 | 0 | 109.4 | L727 F736 G746 I747 T749 V754 I757 V770 W779 | L727-L734 CarbonylContact O-C 3.59Å; L727-L734 WeakPolarHBondContact O-CA 3.26Å; L734-F736 HydrophobicContact CB-CE2 3.8Å; L734-F736 HydrophobicContact CB-CZ 4.25Å; L734-F736 HydrophobicContact CD1-CZ 4.3Å; L734-G746 CarbonylContact O-C 3.55Å; L734-G746 WeakPolarHBondContact O-CA 3.48Å; L734-I747 PolarHBondContact N-O 3.48Å; L734-I747 PolarHBondContact O-N 3.13Å; L734-T749 HydrophobicContact CD1-CG2 3.83Å; L734-T749 HydrophobicContact CG-CG2 3.93Å; L734-V754 HydrophobicContact CD2-CG1 4.24Å; L734-V754 HydrophobicContact CD2-CG2 4.1Å; L734-I757 HydrophobicContact CD2-CD1 3.79Å; L734-V770 HydrophobicContact CD1-CG1 4.34Å; L734-V770 HydrophobicContact CD1-CG2 4.06Å; L734-V770 HydrophobicContact CD2-CG1 4.12Å; L734-W779 HydrophobicContact CD1-CD2 4.39Å; L734-W779 HydrophobicContact CD1-CZ2 4.27Å |
| 735 | N | 91.2 | Very high | 88.8 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 118.5 | 173.8 | -162.7 | -0.6 | 0 | 0 | 0 | 110.6 | D709 M712 V726 L727 R745 G746 | D709-N735 PolarHBondContact OD2-ND2 3.49Å; D709-N735 VanDerWaalsContact OD2-ND2 3.14Å; M712-N735 HydrophobicContact CE-CB 3.57Å; M712-N735 HydrophobicContact CG-CB 4.29Å; M712-N735 HydrophobicContact SD-CB 3.75Å; V726-N735 WeakPolarHBondContact CA-O 3.13Å; L727-N735 HydrophobicContact CB-CB 4.33Å; L727-N735 PolarHBondContact N-O 3.45Å; L727-N735 PolarHBondContact O-N 3.12Å; N735-R745 PolarHBondContact OD1-N 3.43Å; N735-R745 PolarHBondContact OD1-O 2.88Å; N735-G746 PolarHBondContact OD1-N 2.64Å |
| 736 | F | 91.2 | Very high | 88.6 | Confident | 10 Ų | 10 | 56.9 Ų | 56.9 | 4% | 0.044 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115.2 | 177.4 | -62.7 | -93 | 0 | 0 | 0 | 109.3 | V726 L734 S744 R745 I747 L768 W779 T781 V784 | V726-F736 HydrophobicContact CB-CD1 4.46Å; V726-F736 HydrophobicContact CG1-CD1 4.08Å; V726-F736 HydrophobicContact CG1-CE1 3.96Å; V726-F736 HydrophobicContact CG1-CZ 4.4Å; V726-F736 HydrophobicContact CG2-CD1 3.53Å; V726-F736 HydrophobicContact CG2-CE1 3.87Å; V726-F736 HydrophobicContact CG2-CG 4.41Å; L734-F736 HydrophobicContact CB-CE2 3.8Å; L734-F736 HydrophobicContact CB-CZ 4.25Å; L734-F736 HydrophobicContact CD1-CZ 4.3Å; F736-S744 CarbonylContact O-C 3.59Å; F736-S744 WeakPolarHBondContact O-CA 3.49Å; F736-R745 PolarHBondContact N-O 2.82Å; F736-R745 PolarHBondContact O-N 3.45Å; F736-I747 HydrophobicContact CD2-CD1 4.42Å; F736-I747 HydrophobicContact CE2-CD1 4.14Å; F736-L768 HydrophobicContact CE1-CD2 3.9Å; F736-L768 HydrophobicContact CZ-CD2 4.35Å; F736-W779 HydrophobicContact CZ-CD2 4.47Å; F736-W779 HydrophobicContact CZ-CE3 4.14Å; F736-T781 HydrophobicContact CD1-CG2 4.05Å; F736-T781 HydrophobicContact CE1-CG2 3.69Å; F736-V784 HydrophobicContact CD1-CG1 4.3Å; F736-V784 HydrophobicContact CD2-CG1 3.44Å; F736-V784 VanDerWaalsContact CD2-CG1 3.44Å; F736-V784 HydrophobicContact CE1-CG1 4.42Å; F736-V784 HydrophobicContact CE2-CG1 3.57Å; F736-V784 HydrophobicContact CG-CG1 3.84Å; F736-V784 HydrophobicContact CZ-CG1 4.07Å |
| 737 | W | 89.3 | Confident | 88.4 | Confident | 53 Ų | 53 | 58.2 Ų | 58.2 | 20% | 0.201 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 115.5 | 180 | -165.7 | 9.1 | 0 | 0 | 0 | 110.7 | I706 T724 L725 L739 L743 | I706-W737 HydrophobicContact CB-CH2 4.24Å; I706-W737 HydrophobicContact CD1-CH2 3.57Å; I706-W737 HydrophobicContact CD1-CZ3 3.93Å; I706-W737 HydrophobicContact CG1-CH2 3.88Å; I706-W737 HydrophobicContact CG2-CH2 3.63Å; I706-W737 HydrophobicContact CG2-CZ2 4.42Å; I706-W737 HydrophobicContact CG2-CZ3 4.15Å; T724-W737 WeakPolarHBondContact CA-O 3.28Å; L725-W737 HydrophobicContact CB-CB 4.31Å; L725-W737 HydrophobicContact CD2-CE3 3.83Å; L725-W737 HydrophobicContact CD2-CZ3 4.23Å; L725-W737 PolarHBondContact N-O 3.18Å; L725-W737 WeakPolarHBondContact O-CA 3.1Å; L725-W737 PolarHBondContact O-N 2.83Å; W737-L739 HydrophobicContact CD2-CD2 3.9Å; W737-L739 HydrophobicContact CE3-CD2 4.12Å; W737-L739 HydrophobicContact CG-CD2 4.3Å; W737-L739 HydrophobicContact CH2-CD2 4.47Å; W737-L739 HydrophobicContact CZ2-CD2 4.35Å; W737-L739 HydrophobicContact CZ3-CD2 4.38Å; W737-L743 WeakPolarHBondContact CA-O 3.44Å |
| 738 | D | 87.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 61 Ų | 61 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 109.6 | 167.5 | -175.8 | -20.2 | 0 | 0 | 0 | 108.9 | K740 A741 R742 L743 | D738-K740 VanDerWaalsContact C-N 3.31Å; D738-K740 WeakPolarHBondContact OD1-CA 3.45Å; D738-K740 WeakPolarHBondContact OD1-CB 3.38Å; D738-K740 PolarHBondContact OD1-N 2.94Å; D738-A741 HydrophobicContact CB-CB 4.04Å; D738-A741 PolarHBondContact OD1-N 3.23Å; D738-A741 WeakPolarHBondContact OD2-CB 3.34Å; D738-R742 WeakPolarHBondContact O-CA 3.5Å; D738-R742 PolarHBondContact O-N 2.84Å; D738-L743 PolarHBondContact N-O 3.38Å; D738-L743 PolarHBondContact O-N 3.5Å |
| 739 | L | 85.6 | Confident | 87.8 | Confident | 55 Ų | 55 | 62 Ų | 62 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -26.9 | -178.9 | -60.7 | 175.6 | 0 | 0 | 0 | 112.4 | W720 D723 L725 W737 | W720-L739 HydrophobicContact CZ2-CD1 3.58Å; D723-L739 WeakPolarHBondContact O-CB 3.41Å; D723-L739 WeakPolarHBondContact O-CG 3.48Å; D723-L739 PolarHBondContact O-N 3.12Å; L725-L739 HydrophobicContact CB-CD1 4.5Å; L725-L739 HydrophobicContact CB-CD2 4.49Å; L725-L739 HydrophobicContact CB-CG 4.48Å; W737-L739 HydrophobicContact CD2-CD2 3.9Å; W737-L739 HydrophobicContact CE3-CD2 4.12Å; W737-L739 HydrophobicContact CG-CD2 4.3Å; W737-L739 HydrophobicContact CH2-CD2 4.47Å; W737-L739 HydrophobicContact CZ2-CD2 4.35Å; W737-L739 HydrophobicContact CZ3-CD2 4.38Å |
| 740 | K | 84.9 | Confident | 87.5 | Confident | 171 Ų | 171 | 69.8 Ų | 69.8 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -44.8 | 178.4 | -175.5 | -178 | 178.3 | -174.7 | 0 | 110.5 | D723 D738 | D723-K740 HydrophobicContact CB-CB 4.05Å; D738-K740 VanDerWaalsContact C-N 3.31Å; D738-K740 WeakPolarHBondContact OD1-CA 3.45Å; D738-K740 WeakPolarHBondContact OD1-CB 3.38Å; D738-K740 PolarHBondContact OD1-N 2.94Å |
| 741 | A | 83.3 | Confident | 87.2 | Confident | 52 Ų | 52 | 68.2 Ų | 68.2 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -16.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D738 L743 | D738-A741 HydrophobicContact CB-CB 4.04Å; D738-A741 PolarHBondContact OD1-N 3.23Å; D738-A741 WeakPolarHBondContact OD2-CB 3.34Å; A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 HydrophobicContact CB-CB 4.36Å; A741-L743 HydrophobicContact CB-CD1 3.92Å; A741-L743 HydrophobicContact CB-CG 4.1Å; A741-L743 PolarHBondContact O-N 3.07Å |
| 742 | R | 83.4 | Confident | 87.1 | Confident | 213 Ų | 213 | 64.5 Ų | 64.5 | 80% | 0.804 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 37 | -171.6 | -57.3 | -177.6 | 176.2 | -173.5 | -1.2 | 113.1 | D738 | D738-R742 WeakPolarHBondContact O-CA 3.5Å; D738-R742 PolarHBondContact O-N 2.84Å |
| 743 | L | 83.9 | Confident | 87.2 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 62% | 0.623 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.9 | -179.3 | -69.9 | 170.4 | 0 | 0 | 0 | 110.3 | W737 D738 A741 | W737-L743 WeakPolarHBondContact CA-O 3.44Å; D738-L743 PolarHBondContact N-O 3.38Å; D738-L743 PolarHBondContact O-N 3.5Å; A741-L743 VanDerWaalsContact C-N 3.26Å; A741-L743 HydrophobicContact CB-CB 4.36Å; A741-L743 HydrophobicContact CB-CD1 3.92Å; A741-L743 HydrophobicContact CB-CG 4.1Å; A741-L743 PolarHBondContact O-N 3.07Å |
| 744 | S | 84.9 | Confident | 87.3 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 142.5 | 170 | 58.9 | 0 | 0 | 0 | 0 | 110.7 | D709 F736 | D709-S744 PolarHBondContact OD2-OG 3.33Å; F736-S744 CarbonylContact O-C 3.59Å; F736-S744 WeakPolarHBondContact O-CA 3.49Å |
| 745 | R | 87.2 | Confident | 87.2 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 53% | 0.525 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 106.4 | 175.4 | -176.3 | 178 | 179.5 | -176.9 | -2 | 109.5 | N735 F736 | N735-R745 PolarHBondContact OD1-N 3.43Å; N735-R745 PolarHBondContact OD1-O 2.88Å; F736-R745 PolarHBondContact N-O 2.82Å; F736-R745 PolarHBondContact O-N 3.45Å |
| 746 | G | 86.8 | Confident | 87.3 | Confident | 40 Ų | 40 | 75 Ų | 75 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 133.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L734 N735 | L734-G746 CarbonylContact O-C 3.55Å; L734-G746 WeakPolarHBondContact O-CA 3.48Å; N735-G746 PolarHBondContact OD1-N 2.64Å |
| 747 | I | 89.1 | Confident | 87.5 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 14% | 0.144 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 117.4 | 173.7 | -61 | -175.5 | 0 | 0 | 0 | 109.2 | N733 L734 F736 T749 W779 V784 | N733-I747 WeakPolarHBondContact CA-O 3.05Å; L734-I747 PolarHBondContact N-O 3.48Å; L734-I747 PolarHBondContact O-N 3.13Å; F736-I747 HydrophobicContact CD2-CD1 4.42Å; F736-I747 HydrophobicContact CE2-CD1 4.14Å; I747-T749 PolarHBondContact O-N 3.33Å; I747-W779 HydrophobicContact CD1-CH2 4.46Å; I747-W779 HydrophobicContact CD1-CZ3 3.92Å; I747-W779 HydrophobicContact CG2-CH2 3.9Å; I747-W779 HydrophobicContact CG2-CZ3 4.37Å; I747-V784 HydrophobicContact CD1-CB 4.33Å; I747-V784 HydrophobicContact CD1-CG1 3.32Å; I747-V784 HydrophobicContact CG1-CG1 4.44Å |
| 748 | P | 87.9 | Confident | 87.7 | Confident | 68 Ų | 68 | 73.8 Ų | 73.8 | 44% | 0.442 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 118.3 | 170.9 | 30.9 | -31.8 | 0 | 0 | 0 | 110.1 | N733 | N733-P748 VanDerWaalsContact OD1-CA 3.25Å; N733-P748 WeakPolarHBondContact OD1-CA 3.4Å; N733-P748 VanDerWaalsContact OD1-CB 3.3Å; N733-P748 WeakPolarHBondContact OD1-CB 3.42Å |
| 749 | T | 85.8 | Confident | 88.1 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 13% | 0.129 | 36% | 0.355 | C | S | . | . | trans | -88.9 | -17.2 | -179.1 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | G732 L734 I747 R751 Y772 W779 | G732-T749 WeakPolarHBondContact O-CB 3.28Å; G732-T749 WeakPolarHBondContact O-CG2 3.22Å; G732-T749 PolarHBondContact O-N 3.06Å; G732-T749 PolarHBondContact O-OG1 2.88Å; L734-T749 HydrophobicContact CD1-CG2 3.83Å; L734-T749 HydrophobicContact CG-CG2 3.93Å; I747-T749 PolarHBondContact O-N 3.33Å; T749-R751 PolarHBondContact O-N 3.02Å; T749-R751 PolarHBondContact OG1-N 2.7Å; T749-Y772 HydrophobicContact CG2-CE1 4.43Å; T749-Y772 WeakPolarHBondContact CG2-OH 3.43Å; T749-Y772 WeakPolarHBondContact OG1-CE1 3.4Å; T749-W779 HydrophobicContact CG2-CH2 4.5Å; T749-W779 HydrophobicContact CG2-CZ2 3.94Å | ||
| 750 | H | 84.4 | Confident | 88.4 | Confident | 164 Ų | 164 | 69.7 Ų | 69.7 | 76% | 0.759 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 56.7 | 22.3 | -174.2 | -53.9 | -69.8 | 0 | 0 | 0 | 114.6 | ||
| 751 | R | 83.3 | Confident | 88.6 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -95.8 | -2.4 | 179 | -63 | -67.9 | -65.6 | -104.1 | -1.1 | 113.7 | T749 Y772 D774 E777 S789 M790 | T749-R751 PolarHBondContact O-N 3.02Å; T749-R751 PolarHBondContact OG1-N 2.7Å; R751-Y772 HydrophobicContact CB-CD1 3.47Å; R751-Y772 VanDerWaalsContact CB-CD1 3.47Å; R751-Y772 HydrophobicContact CB-CD2 4.07Å; R751-Y772 HydrophobicContact CB-CE1 3.73Å; R751-Y772 HydrophobicContact CB-CE2 4.3Å; R751-Y772 HydrophobicContact CB-CG 3.63Å; R751-Y772 HydrophobicContact CG-CD1 4.36Å; R751-Y772 HydrophobicContact CG-CD2 4.31Å; R751-Y772 HydrophobicContact CG-CE1 4.25Å; R751-Y772 HydrophobicContact CG-CE2 4.2Å; R751-Y772 HydrophobicContact CG-CG 4.36Å; R751-D774 IonicContact CZ-OD1 2.7Å; R751-D774 VanDerWaalsContact CZ-OD1 3.27Å; R751-D774 IonicContact NE-OD1 3.78Å; R751-D774 PolarHBondContact NE-OD1 2.76Å; R751-D774 IonicContact NE-OD2 2.88Å; R751-D774 PolarHBondContact NE-OD2 3.48Å; R751-D774 IonicContact NH2-OD1 3.16Å; R751-D774 PolarHBondContact NH2-OD1 2.89Å; R751-E777 IonicContact CZ-OE1 3.29Å; R751-E777 IonicContact NH1-OE1 2.63Å; R751-E777 PolarHBondContact NH1-OE1 2.84Å; R751-S789 PolarHBondContact NH1-OG 2.65Å; R751-M790 PolarHBondContact NH2-O 3.36Å |
| 752 | G | 86.3 | Confident | 88.7 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | trans | 71.9 | -164.2 | -174 | 0 | 0 | 0 | 0 | 0 | 112.7 | D731 G732 V754 | D731-G752 WeakPolarHBondContact O-CA 3.33Å; G732-G752 WeakPolarHBondContact CA-O 3.49Å; G732-G752 PolarHBondContact N-O 3.43Å; G752-V754 PolarHBondContact O-N 2.78Å | ||
| 753 | W | 90.4 | Very high | 88.6 | Confident | 126 Ų | 126 | 62.9 Ų | 62.9 | 48% | 0.477 | 33% | 0.325 | S | S | . | . | trans | -45.2 | 119 | -168.7 | -174.7 | 5.4 | 0 | 0 | 0 | 115.6 | V730 K755 Y772 T773 | V730-W753 HydrophobicContact CG1-CB 4.38Å; V730-W753 HydrophobicContact CG1-CD2 4.26Å; V730-W753 HydrophobicContact CG1-CG 4.13Å; V730-W753 WeakPolarHBondContact O-CA 3.42Å; V730-W753 WeakPolarHBondContact O-CB 3.46Å; V730-W753 PolarHBondContact O-N 3.47Å; V730-W753 VanDerWaalsContact O-N 3.15Å; W753-K755 PolarHBondContact O-N 3.19Å; W753-Y772 WeakPolarHBondContact O-CA 3.42Å; W753-T773 HydrophobicContact CB-CG2 3.9Å; W753-T773 PolarHBondContact O-N 3.26Å | ||
| 754 | V | 94.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 110.5 | 170.5 | -164.8 | 0 | 0 | 0 | 0 | 110.7 | A716 D729 L734 G752 I757 V770 Y772 | A716-V754 VanDerWaalsContact CB-O 3.31Å; A716-V754 WeakPolarHBondContact CB-O 3.35Å; D729-V754 WeakPolarHBondContact O-CG2 3.27Å; D729-V754 PolarHBondContact O-N 3.45Å; D729-V754 VanDerWaalsContact O-N 3.15Å; L734-V754 HydrophobicContact CD2-CG1 4.24Å; L734-V754 HydrophobicContact CD2-CG2 4.1Å; G752-V754 PolarHBondContact O-N 2.78Å; V754-I757 HydrophobicContact CG1-CD1 3.88Å; V754-I757 HydrophobicContact CG1-CG1 3.71Å; V754-V770 HydrophobicContact CG1-CG1 3.55Å; V754-Y772 HydrophobicContact CG2-CD1 4.02Å; V754-Y772 HydrophobicContact CG2-CE1 3.87Å |
| 755 | K | 91.8 | Very high | 88.7 | Confident | 102 Ų | 102 | 57.9 Ų | 57.9 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -38 | -175.2 | -71.1 | -173.9 | 173.6 | -178.8 | 0 | 113.9 | W753 M771 | W753-K755 PolarHBondContact O-N 3.19Å; K755-M771 HydrophobicContact CB-CE 3.44Å; K755-M771 VanDerWaalsContact CB-CE 3.44Å; K755-M771 HydrophobicContact CD-CE 3.97Å; K755-M771 HydrophobicContact CG-CE 4.37Å; K755-M771 PolarHBondContact N-O 3.03Å |
| 756 | K | 92.5 | Very high | 88.8 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 137.3 | -174.6 | -165.2 | 174.7 | -175.5 | -170.8 | 0 | 110.1 | M771 D802 I803 | K756-M771 HydrophobicContact CB-CB 4.25Å; K756-M771 HydrophobicContact CB-CE 3.86Å; K756-M771 PolarHBondContact N-O 3.41Å; K756-M771 PolarHBondContact O-N 3.36Å; K756-D802 WeakPolarHBondContact CD-OD1 3.29Å; K756-D802 WeakPolarHBondContact CE-OD1 3.41Å; K756-D802 VanDerWaalsContact NZ-CG 3.34Å; K756-D802 IonicContact NZ-OD1 3.02Å; K756-D802 PolarHBondContact NZ-OD1 3.2Å; K756-D802 IonicContact NZ-OD2 3.32Å; K756-D802 PolarHBondContact NZ-OD2 2.8Å; K756-I803 HydrophobicContact CB-CD1 4.37Å; K756-I803 HydrophobicContact CB-CG1 4.22Å; K756-I803 HydrophobicContact CD-CG1 3.92Å; K756-I803 WeakPolarHBondContact CE-O 3.14Å; K756-I803 HydrophobicContact CG-CG1 4.25Å; K756-I803 PolarHBondContact NZ-O 3.11Å |
| 757 | I | 95.4 | Very high | 89.2 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.6 | 174 | -61.1 | 170.2 | 0 | 0 | 0 | 108.4 | C717 A719 V726 L734 V754 L768 L769 V770 | C717-I757 VanDerWaalsContact SG-CD1 3.54Å; C717-I757 VanDerWaalsContact SG-CG1 3.55Å; A719-I757 HydrophobicContact CB-CB 4.13Å; A719-I757 HydrophobicContact CB-CG2 3.59Å; V726-I757 HydrophobicContact CG1-CD1 4.39Å; L734-I757 HydrophobicContact CD2-CD1 3.79Å; V754-I757 HydrophobicContact CG1-CD1 3.88Å; V754-I757 HydrophobicContact CG1-CG1 3.71Å; I757-L768 HydrophobicContact CG2-CD1 3.31Å; I757-L768 HydrophobicContact CG2-CD2 3.8Å; I757-L768 HydrophobicContact CG2-CG 3.65Å; I757-L769 CarbonylContact C-O 3.39Å; I757-L769 WeakPolarHBondContact CA-O 3.29Å; I757-V770 HydrophobicContact CG1-CG1 4.19Å; I757-V770 HydrophobicContact CG1-CG2 4.34Å; I757-V770 HydrophobicContact CG2-CG2 4.46Å |
| 758 | R | 93.9 | Very high | 89.5 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 13% | 0.125 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 133.3 | 175.2 | -68.6 | -66.7 | -169.3 | 172.9 | 3.3 | 110.9 | R474 E525 L769 W805 | R474-R758 VanDerWaalsContact CZ-CZ 3.5Å; R474-R758 VanDerWaalsContact NH2-CZ 3.26Å; R474-R758 VanDerWaalsContact NH2-NH2 3.17Å; E525-R758 IonicContact OE1-CZ 3.5Å; E525-R758 IonicContact OE1-NH2 2.84Å; E525-R758 PolarHBondContact OE1-NH2 2.69Å; R758-L769 PolarHBondContact N-O 2.97Å; R758-L769 PolarHBondContact O-N 3.31Å; R758-W805 PolarHBondContact O-NE1 3.14Å |
| 759 | F | 94.2 | Very high | 89.8 | Confident | 30 Ų | 30 | 48.4 Ų | 48.4 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 145.2 | 170.2 | -82.3 | -80.6 | 0 | 0 | 0 | 111.5 | A719 K721 T724 V726 L768 T781 | A719-F759 HydrophobicContact CB-CD2 3.8Å; A719-F759 HydrophobicContact CB-CE2 3.91Å; K721-F759 HydrophobicContact CB-CB 4.08Å; K721-F759 HydrophobicContact CB-CD1 3.83Å; K721-F759 HydrophobicContact CB-CD2 3.49Å; K721-F759 VanDerWaalsContact CB-CD2 3.49Å; K721-F759 HydrophobicContact CB-CE1 4.05Å; K721-F759 HydrophobicContact CB-CE2 3.76Å; K721-F759 HydrophobicContact CB-CG 3.53Å; K721-F759 HydrophobicContact CB-CZ 4.02Å; K721-F759 HydrophobicContact CD-CB 3.7Å; K721-F759 HydrophobicContact CD-CD1 3.85Å; K721-F759 HydrophobicContact CD-CG 3.84Å; K721-F759 HydrophobicContact CG-CD1 4.46Å; K721-F759 HydrophobicContact CG-CG 4.34Å; T724-F759 HydrophobicContact CG2-CZ 4.2Å; V726-F759 HydrophobicContact CG2-CE2 4.18Å; V726-F759 HydrophobicContact CG2-CZ 3.73Å; F759-L768 HydrophobicContact CD1-CB 4.47Å; F759-L768 HydrophobicContact CD1-CD1 3.75Å; F759-L768 HydrophobicContact CD2-CD1 3.79Å; F759-L768 HydrophobicContact CE1-CB 4.48Å; F759-L768 HydrophobicContact CE1-CD1 3.82Å; F759-L768 HydrophobicContact CE2-CD1 3.84Å; F759-L768 HydrophobicContact CG-CD1 3.75Å; F759-L768 HydrophobicContact CZ-CD1 3.86Å; F759-T781 HydrophobicContact CE1-CG2 3.68Å; F759-T781 HydrophobicContact CZ-CG2 4.24Å |
| 760 | A | 92.8 | Very high | 90.3 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.017 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 147.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | K721 N765 K767 W805 | K721-A760 PolarHBondContact NZ-O 3.27Å; A760-N765 VanDerWaalsContact CB-ND2 3.29Å; A760-N765 WeakPolarHBondContact CB-ND2 3.38Å; A760-K767 HydrophobicContact CB-CB 3.96Å; A760-K767 WeakPolarHBondContact CB-O 3.37Å; A760-K767 PolarHBondContact N-O 2.99Å; A760-W805 HydrophobicContact CB-CD2 3.67Å; A760-W805 HydrophobicContact CB-CE3 3.75Å; A760-W805 HydrophobicContact CB-CG 4.37Å; A760-W805 HydrophobicContact CB-CH2 3.79Å; A760-W805 HydrophobicContact CB-CZ2 3.69Å; A760-W805 HydrophobicContact CB-CZ3 3.81Å |
| 761 | P | 89.6 | Confident | 90.8 | Very high | 27 Ų | 27 | 40 Ų | 40 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -70.4 | 162 | 174.5 | 29.4 | -34.4 | 0 | 0 | 0 | 111.7 | P478 N765 W805 T807 | P478-P761 HydrophobicContact CB-CB 3.58Å; P478-P761 HydrophobicContact CB-CG 4.41Å; P478-P761 HydrophobicContact CG-CB 4Å; P761-N765 WeakPolarHBondContact O-CB 3.3Å; P761-N765 PolarHBondContact O-ND2 3.42Å; P761-N765 VanDerWaalsContact O-ND2 3.08Å; P761-W805 HydrophobicContact CG-CB 4.35Å; P761-T807 WeakPolarHBondContact CD-O 3.44Å; P761-T807 WeakPolarHBondContact CG-O 3.38Å |
| 762 | G | 84.7 | Confident | 91.2 | Very high | 45 Ų | 45 | 38.8 Ų | 38.8 | 46% | 0.464 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 105.5 | 142.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | K721 G764 N765 | K721-G762 WeakPolarHBondContact CE-O 3.46Å; K721-G762 PolarHBondContact NZ-O 3.41Å; G762-G764 PolarHBondContact O-N 2.97Å; G762-N765 PolarHBondContact O-N 3.11Å |
| 763 | K | 81.6 | Confident | 91.3 | Very high | 221 Ų | 221 | 40.8 Ų | 40.8 | 96% | 0.961 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 121.3 | -179.7 | -172.1 | -179.7 | 179 | -174.8 | 0 | 109.6 | N765 | K763-N765 VanDerWaalsContact C-N 3.29Å; K763-N765 PolarHBondContact O-N 3.48Å |
| 764 | G | 81.6 | Confident | 91.2 | Very high | 46 Ų | 46 | 36.3 Ų | 36.3 | 47% | 0.474 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -5.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G762 Q766 | G762-G764 PolarHBondContact O-N 2.97Å; G764-Q766 PolarHBondContact O-N 2.84Å |
| 765 | N | 88.6 | Confident | 91 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 20% | 0.197 | C | C | . | . | trans | -71.9 | 110.7 | 171.3 | -173.5 | -5 | 0 | 0 | 0 | 109.5 | K721 A760 P761 G762 K763 K767 S808 | K721-N765 WeakPolarHBondContact CE-O 3.43Å; K721-N765 PolarHBondContact NZ-O 2.81Å; A760-N765 VanDerWaalsContact CB-ND2 3.29Å; A760-N765 WeakPolarHBondContact CB-ND2 3.38Å; P761-N765 WeakPolarHBondContact O-CB 3.3Å; P761-N765 PolarHBondContact O-ND2 3.42Å; P761-N765 VanDerWaalsContact O-ND2 3.08Å; G762-N765 PolarHBondContact O-N 3.11Å; K763-N765 VanDerWaalsContact C-N 3.29Å; K763-N765 PolarHBondContact O-N 3.48Å; N765-K767 WeakPolarHBondContact OD1-CB 3.45Å; N765-K767 WeakPolarHBondContact OD1-CG 3.45Å; N765-K767 PolarHBondContact OD1-N 3.22Å; N765-S808 PolarHBondContact ND2-O 3.2Å | ||
| 766 | Q | 90.8 | Very high | 91.1 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | trans | -105.9 | 30.9 | -175.3 | -72.8 | -61.8 | -4.4 | 0 | 0 | 111.9 | G764 T781 K782 | G764-Q766 PolarHBondContact O-N 2.84Å; Q766-T781 WeakPolarHBondContact CB-OG1 3.44Å; Q766-T781 PolarHBondContact O-N 2.99Å; Q766-T781 PolarHBondContact O-OG1 2.82Å; Q766-T781 PolarHBondContact OE1-OG1 2.82Å; Q766-K782 HydrophobicContact CB-CD 4.25Å; Q766-K782 HydrophobicContact CB-CG 3.74Å; Q766-K782 HydrophobicContact CG-CD 4.44Å; Q766-K782 HydrophobicContact CG-CG 3.99Å | ||
| 767 | K | 94.1 | Very high | 91.2 | Very high | 44 Ų | 44 | 30.5 Ų | 30.5 | 19% | 0.191 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 142 | 173.2 | -56.9 | -64.9 | -174.1 | -177.5 | 0 | 110.3 | A760 N765 W779 D780 W805 M825 | A760-K767 HydrophobicContact CB-CB 3.96Å; A760-K767 WeakPolarHBondContact CB-O 3.37Å; A760-K767 PolarHBondContact N-O 2.99Å; N765-K767 WeakPolarHBondContact OD1-CB 3.45Å; N765-K767 WeakPolarHBondContact OD1-CG 3.45Å; N765-K767 PolarHBondContact OD1-N 3.22Å; K767-W779 CarbonylContact C-O 3.44Å; K767-W779 WeakPolarHBondContact CA-O 3.29Å; K767-D780 HydrophobicContact CD-CB 4.11Å; K767-D780 IonicContact NZ-OD2 3.9Å; K767-D780 PolarHBondContact NZ-OD2 3.23Å; K767-W805 HydrophobicContact CB-CH2 4.03Å; K767-W805 HydrophobicContact CB-CZ2 4.3Å; K767-M825 HydrophobicContact CB-CE 4.05Å; K767-M825 HydrophobicContact CD-CE 3.61Å; K767-M825 HydrophobicContact CG-CE 3.52Å; K767-M825 HydrophobicContact CG-SD 4.49Å |
| 768 | L | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.5 | -175.2 | -173.2 | 76.1 | 0 | 0 | 0 | 109.3 | A719 V726 F736 I757 F759 V770 V778 W779 T781 | A719-L768 HydrophobicContact CB-CD1 4.36Å; V726-L768 HydrophobicContact CB-CD2 4.28Å; V726-L768 HydrophobicContact CG1-CD2 3.84Å; V726-L768 HydrophobicContact CG2-CD2 4.17Å; F736-L768 HydrophobicContact CE1-CD2 3.9Å; F736-L768 HydrophobicContact CZ-CD2 4.35Å; I757-L768 HydrophobicContact CG2-CD1 3.31Å; I757-L768 HydrophobicContact CG2-CD2 3.8Å; I757-L768 HydrophobicContact CG2-CG 3.65Å; F759-L768 HydrophobicContact CD1-CB 4.47Å; F759-L768 HydrophobicContact CD1-CD1 3.75Å; F759-L768 HydrophobicContact CD2-CD1 3.79Å; F759-L768 HydrophobicContact CE1-CB 4.48Å; F759-L768 HydrophobicContact CE1-CD1 3.82Å; F759-L768 HydrophobicContact CE2-CD1 3.84Å; F759-L768 HydrophobicContact CG-CD1 3.75Å; F759-L768 HydrophobicContact CZ-CD1 3.86Å; L768-V770 HydrophobicContact CD2-CG2 3.85Å; L768-V770 HydrophobicContact CG-CG2 4.11Å; L768-V778 CarbonylContact O-C 3.57Å; L768-V778 VanDerWaalsContact O-CA 3.31Å; L768-V778 WeakPolarHBondContact O-CA 3.44Å; L768-W779 HydrophobicContact CB-CB 4.23Å; L768-W779 PolarHBondContact N-O 3.27Å; L768-W779 PolarHBondContact O-N 3.38Å; L768-T781 HydrophobicContact CB-CG2 3.72Å; L768-T781 HydrophobicContact CD2-CG2 4.2Å; L768-T781 HydrophobicContact CG-CG2 4.45Å |
| 769 | L | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 129 | 173.6 | -175.4 | 66.8 | 0 | 0 | 0 | 108.9 | I757 R758 V778 I803 W805 V811 M827 | I757-L769 CarbonylContact C-O 3.39Å; I757-L769 WeakPolarHBondContact CA-O 3.29Å; R758-L769 PolarHBondContact N-O 2.97Å; R758-L769 PolarHBondContact O-N 3.31Å; L769-V778 HydrophobicContact CD1-CG2 3.76Å; L769-I803 HydrophobicContact CB-CD1 4.37Å; L769-I803 HydrophobicContact CD2-CB 3.87Å; L769-I803 HydrophobicContact CD2-CD1 3.74Å; L769-I803 HydrophobicContact CD2-CG1 4.26Å; L769-I803 HydrophobicContact CG-CD1 3.58Å; L769-W805 HydrophobicContact CB-CZ2 3.68Å; L769-V811 HydrophobicContact CD1-CG1 4.2Å; L769-V811 HydrophobicContact CD2-CB 4.3Å; L769-V811 HydrophobicContact CD2-CG1 4.13Å; L769-M827 HydrophobicContact CD1-CE 3.42Å; L769-M827 VanDerWaalsContact CD1-CE 3.42Å |
| 770 | V | 95.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 126.5 | -175.9 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | L734 V754 I757 L768 Y772 A776 E777 | L734-V770 HydrophobicContact CD1-CG1 4.34Å; L734-V770 HydrophobicContact CD1-CG2 4.06Å; L734-V770 HydrophobicContact CD2-CG1 4.12Å; V754-V770 HydrophobicContact CG1-CG1 3.55Å; I757-V770 HydrophobicContact CG1-CG1 4.19Å; I757-V770 HydrophobicContact CG1-CG2 4.34Å; I757-V770 HydrophobicContact CG2-CG2 4.46Å; L768-V770 HydrophobicContact CD2-CG2 3.85Å; L768-V770 HydrophobicContact CG-CG2 4.11Å; V770-Y772 HydrophobicContact CB-CE2 4.23Å; V770-Y772 HydrophobicContact CG1-CD1 4.41Å; V770-Y772 HydrophobicContact CG1-CD2 4.43Å; V770-Y772 HydrophobicContact CG1-CE1 3.79Å; V770-Y772 HydrophobicContact CG1-CE2 3.8Å; V770-Y772 VanDerWaalsContact CG1-CZ 3.47Å; V770-A776 CarbonylContact O-C 3.54Å; V770-A776 WeakPolarHBondContact O-CA 3.19Å; V770-E777 PolarHBondContact N-O 3.06Å; V770-E777 PolarHBondContact O-N 2.86Å |
| 771 | M | 94.9 | Very high | 90.9 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 4% | 0.044 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 126.8 | 174 | 178.8 | 176 | 81.8 | 0 | 0 | 110.4 | K755 K756 I800 I803 | K755-M771 HydrophobicContact CB-CE 3.44Å; K755-M771 VanDerWaalsContact CB-CE 3.44Å; K755-M771 HydrophobicContact CD-CE 3.97Å; K755-M771 HydrophobicContact CG-CE 4.37Å; K755-M771 PolarHBondContact N-O 3.03Å; K756-M771 HydrophobicContact CB-CB 4.25Å; K756-M771 HydrophobicContact CB-CE 3.86Å; K756-M771 PolarHBondContact N-O 3.41Å; K756-M771 PolarHBondContact O-N 3.36Å; M771-I800 HydrophobicContact CG-CG2 4.49Å; M771-I800 HydrophobicContact SD-CG2 4.02Å; M771-I803 HydrophobicContact CB-CD1 3.45Å; M771-I803 VanDerWaalsContact CB-CD1 3.45Å; M771-I803 HydrophobicContact CB-CG1 3.75Å; M771-I803 HydrophobicContact CB-CG2 4.06Å; M771-I803 HydrophobicContact CG-CG2 4.22Å; M771-I803 HydrophobicContact SD-CG1 4.17Å; M771-I803 HydrophobicContact SD-CG2 3.86Å |
| 772 | Y | 93.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 178.9 | 173.2 | -51.9 | -84.2 | 0 | 0 | 0 | 110.4 | T749 R751 W753 V754 V770 D774 G775 E777 | T749-Y772 HydrophobicContact CG2-CE1 4.43Å; T749-Y772 WeakPolarHBondContact CG2-OH 3.43Å; T749-Y772 WeakPolarHBondContact OG1-CE1 3.4Å; R751-Y772 HydrophobicContact CB-CD1 3.47Å; R751-Y772 VanDerWaalsContact CB-CD1 3.47Å; R751-Y772 HydrophobicContact CB-CD2 4.07Å; R751-Y772 HydrophobicContact CB-CE1 3.73Å; R751-Y772 HydrophobicContact CB-CE2 4.3Å; R751-Y772 HydrophobicContact CB-CG 3.63Å; R751-Y772 HydrophobicContact CG-CD1 4.36Å; R751-Y772 HydrophobicContact CG-CD2 4.31Å; R751-Y772 HydrophobicContact CG-CE1 4.25Å; R751-Y772 HydrophobicContact CG-CE2 4.2Å; R751-Y772 HydrophobicContact CG-CG 4.36Å; W753-Y772 WeakPolarHBondContact O-CA 3.42Å; V754-Y772 HydrophobicContact CG2-CD1 4.02Å; V754-Y772 HydrophobicContact CG2-CE1 3.87Å; V770-Y772 HydrophobicContact CB-CE2 4.23Å; V770-Y772 HydrophobicContact CG1-CD1 4.41Å; V770-Y772 HydrophobicContact CG1-CD2 4.43Å; V770-Y772 HydrophobicContact CG1-CE1 3.79Å; V770-Y772 HydrophobicContact CG1-CE2 3.8Å; V770-Y772 VanDerWaalsContact CG1-CZ 3.47Å; Y772-D774 VanDerWaalsContact C-N 3.3Å; Y772-D774 PolarHBondContact O-N 2.89Å; Y772-G775 PolarHBondContact N-O 3.08Å; Y772-E777 HydrophobicContact CD2-CG 4.46Å; Y772-E777 HydrophobicContact CE2-CB 3.92Å; Y772-E777 HydrophobicContact CE2-CG 3.68Å; Y772-E777 WeakPolarHBondContact CE2-OE2 3.48Å; Y772-E777 PolarHBondContact OH-OE2 2.94Å |
| 773 | T | 88.3 | Confident | 90.8 | Very high | 67 Ų | 67 | 39 Ų | 39 | 41% | 0.411 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -65.4 | -31.6 | 171.4 | 48.8 | 0 | 0 | 0 | 0 | 113.2 | W753 | W753-T773 HydrophobicContact CB-CG2 3.9Å; W753-T773 PolarHBondContact O-N 3.26Å |
| 774 | D | 86.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 17% | 0.171 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -106.8 | 0.7 | -172.6 | 81.4 | -13.8 | 0 | 0 | 0 | 114.8 | R751 Y772 R791 F792 | R751-D774 IonicContact CZ-OD1 2.7Å; R751-D774 VanDerWaalsContact CZ-OD1 3.27Å; R751-D774 IonicContact NE-OD1 3.78Å; R751-D774 PolarHBondContact NE-OD1 2.76Å; R751-D774 IonicContact NE-OD2 2.88Å; R751-D774 PolarHBondContact NE-OD2 3.48Å; R751-D774 IonicContact NH2-OD1 3.16Å; R751-D774 PolarHBondContact NH2-OD1 2.89Å; Y772-D774 VanDerWaalsContact C-N 3.3Å; Y772-D774 PolarHBondContact O-N 2.89Å; D774-R791 IonicContact OD2-CZ 2.75Å; D774-R791 IonicContact OD2-NE 3.12Å; D774-R791 PolarHBondContact OD2-NE 3.45Å; D774-R791 IonicContact OD2-NH2 3.41Å; D774-R791 PolarHBondContact OD2-NH2 2.9Å; D774-F792 PolarHBondContact O-N 3.26Å |
| 775 | G | 90.9 | Very high | 91.5 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -161.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y772 M790 | Y772-G775 PolarHBondContact N-O 3.08Å; G775-M790 CarbonylContact C-O 3.54Å; G775-M790 VanDerWaalsContact CA-O 3.24Å; G775-M790 WeakPolarHBondContact CA-O 3.36Å |
| 776 | A | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 152.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V770 M790 I800 I803 | V770-A776 CarbonylContact O-C 3.54Å; V770-A776 WeakPolarHBondContact O-CA 3.19Å; A776-M790 PolarHBondContact N-O 2.95Å; A776-M790 PolarHBondContact O-N 2.95Å; A776-I800 HydrophobicContact CB-CD1 3.5Å; A776-I800 VanDerWaalsContact CB-CD1 3.5Å; A776-I803 HydrophobicContact CB-CG2 4.49Å |
| 777 | E | 94.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 38.3 Ų | 38.3 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 148 | 179.6 | -69.4 | 179.2 | 165.1 | 0 | 0 | 112 | R751 V770 Y772 W779 S788 S789 | R751-E777 IonicContact CZ-OE1 3.29Å; R751-E777 IonicContact NH1-OE1 2.63Å; R751-E777 PolarHBondContact NH1-OE1 2.84Å; V770-E777 PolarHBondContact N-O 3.06Å; V770-E777 PolarHBondContact O-N 2.86Å; Y772-E777 HydrophobicContact CD2-CG 4.46Å; Y772-E777 HydrophobicContact CE2-CB 3.92Å; Y772-E777 HydrophobicContact CE2-CG 3.68Å; Y772-E777 WeakPolarHBondContact CE2-OE2 3.48Å; Y772-E777 PolarHBondContact OH-OE2 2.94Å; E777-W779 PolarHBondContact OE2-NE1 2.91Å; E777-S788 VanDerWaalsContact CA-O 3.31Å; E777-S788 WeakPolarHBondContact CA-O 3.36Å; E777-S789 WeakPolarHBondContact CG-OG 3.44Å; E777-S789 PolarHBondContact OE1-OG 2.58Å; E777-S789 VanDerWaalsContact OE1-OG 3.05Å |
| 778 | V | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 127.6 | 168.6 | -176.4 | 0 | 0 | 0 | 0 | 108.8 | L768 L769 V787 S788 W805 M825 M827 | L768-V778 CarbonylContact O-C 3.57Å; L768-V778 VanDerWaalsContact O-CA 3.31Å; L768-V778 WeakPolarHBondContact O-CA 3.44Å; L769-V778 HydrophobicContact CD1-CG2 3.76Å; V778-V787 HydrophobicContact CG1-CB 4.47Å; V778-V787 WeakPolarHBondContact O-CB 3.17Å; V778-V787 PolarHBondContact O-N 2.77Å; V778-S788 VanDerWaalsContact CB-OG 3.32Å; V778-S788 WeakPolarHBondContact CB-OG 3.43Å; V778-S788 WeakPolarHBondContact CG2-OG 3.35Å; V778-S788 PolarHBondContact N-O 2.99Å; V778-S788 PolarHBondContact O-N 3.12Å; V778-W805 HydrophobicContact CG1-CH2 4.01Å; V778-W805 HydrophobicContact CG1-CZ2 4.37Å; V778-M825 HydrophobicContact CG1-CE 3.89Å; V778-M827 HydrophobicContact CG2-CE 3.66Å; V778-M827 HydrophobicContact CG2-CG 4.48Å |
| 779 | W | 94 | Very high | 91.3 | Very high | 18 Ų | 18 | 38.4 Ų | 38.4 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.2 | 179.2 | -73.7 | 73.1 | 0 | 0 | 0 | 110.8 | L734 F736 I747 T749 K767 L768 E777 Q785 M786 | L734-W779 HydrophobicContact CD1-CD2 4.39Å; L734-W779 HydrophobicContact CD1-CZ2 4.27Å; F736-W779 HydrophobicContact CZ-CD2 4.47Å; F736-W779 HydrophobicContact CZ-CE3 4.14Å; I747-W779 HydrophobicContact CD1-CH2 4.46Å; I747-W779 HydrophobicContact CD1-CZ3 3.92Å; I747-W779 HydrophobicContact CG2-CH2 3.9Å; I747-W779 HydrophobicContact CG2-CZ3 4.37Å; T749-W779 HydrophobicContact CG2-CH2 4.5Å; T749-W779 HydrophobicContact CG2-CZ2 3.94Å; K767-W779 CarbonylContact C-O 3.44Å; K767-W779 WeakPolarHBondContact CA-O 3.29Å; L768-W779 HydrophobicContact CB-CB 4.23Å; L768-W779 PolarHBondContact N-O 3.27Å; L768-W779 PolarHBondContact O-N 3.38Å; E777-W779 PolarHBondContact OE2-NE1 2.91Å; W779-Q785 CarbonylContact C-O 3.57Å; W779-Q785 WeakPolarHBondContact CA-O 3.19Å; W779-Q785 VanDerWaalsContact CE3-C 3.49Å; W779-M786 HydrophobicContact CD2-CB 4.15Å; W779-M786 HydrophobicContact CE3-CB 4.37Å; W779-M786 HydrophobicContact CH2-CB 4.2Å; W779-M786 HydrophobicContact CZ2-CB 3.97Å; W779-M786 HydrophobicContact CZ3-CB 4.4Å |
| 780 | D | 92.4 | Very high | 90.9 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.15 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 117 | 162.6 | -167.4 | -25.3 | 0 | 0 | 0 | 108.9 | K767 K782 V784 Q785 V787 | K767-D780 HydrophobicContact CD-CB 4.11Å; K767-D780 IonicContact NZ-OD2 3.9Å; K767-D780 PolarHBondContact NZ-OD2 3.23Å; D780-K782 VanDerWaalsContact C-N 3.34Å; D780-K782 WeakPolarHBondContact OD1-CB 3.3Å; D780-K782 PolarHBondContact OD1-N 3.33Å; D780-V784 CarbonylContact O-C 3.54Å; D780-V784 WeakPolarHBondContact O-CA 3.33Å; D780-V784 PolarHBondContact O-N 2.76Å; D780-Q785 PolarHBondContact N-O 2.91Å; D780-Q785 PolarHBondContact O-N 2.77Å; D780-Q785 VanDerWaalsContact O-N 3.11Å; D780-V787 HydrophobicContact CB-CG2 4Å |
| 781 | T | 89.9 | Confident | 90.6 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -11.4 | -178.1 | 70.5 | 0 | 0 | 0 | 0 | 113.5 | F736 F759 Q766 L768 | F736-T781 HydrophobicContact CD1-CG2 4.05Å; F736-T781 HydrophobicContact CE1-CG2 3.69Å; F759-T781 HydrophobicContact CE1-CG2 3.68Å; F759-T781 HydrophobicContact CZ-CG2 4.24Å; Q766-T781 WeakPolarHBondContact CB-OG1 3.44Å; Q766-T781 PolarHBondContact O-N 2.99Å; Q766-T781 PolarHBondContact O-OG1 2.82Å; Q766-T781 PolarHBondContact OE1-OG1 2.82Å; L768-T781 HydrophobicContact CB-CG2 3.72Å; L768-T781 HydrophobicContact CD2-CG2 4.2Å; L768-T781 HydrophobicContact CG-CG2 4.45Å |
| 782 | K | 86.6 | Confident | 90.1 | Very high | 138 Ų | 138 | 47.7 Ų | 47.7 | 60% | 0.6 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -52.4 | 173.7 | -71.1 | 177.7 | -179.8 | 179.6 | 0 | 111.2 | Q766 D780 | Q766-K782 HydrophobicContact CB-CD 4.25Å; Q766-K782 HydrophobicContact CB-CG 3.74Å; Q766-K782 HydrophobicContact CG-CD 4.44Å; Q766-K782 HydrophobicContact CG-CG 3.99Å; D780-K782 VanDerWaalsContact C-N 3.34Å; D780-K782 WeakPolarHBondContact OD1-CB 3.3Å; D780-K782 PolarHBondContact OD1-N 3.33Å |
| 783 | E | 85.1 | Confident | 89.3 | Confident | 125 Ų | 125 | 50.3 Ų | 50.3 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -12.9 | 178.6 | -58.1 | -54.3 | 141.4 | 0 | 0 | 112.3 | Q785 | E783-Q785 HydrophobicContact CB-CG 4.23Š|
| 784 | V | 88.1 | Confident | 88.9 | Confident | 21 Ų | 21 | 56.8 Ų | 56.8 | 13% | 0.127 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 53.2 | -174.4 | -155.4 | 0 | 0 | 0 | 0 | 111.2 | F736 I747 D780 | F736-V784 HydrophobicContact CD1-CG1 4.3Å; F736-V784 HydrophobicContact CD2-CG1 3.44Å; F736-V784 VanDerWaalsContact CD2-CG1 3.44Å; F736-V784 HydrophobicContact CE1-CG1 4.42Å; F736-V784 HydrophobicContact CE2-CG1 3.57Å; F736-V784 HydrophobicContact CG-CG1 3.84Å; F736-V784 HydrophobicContact CZ-CG1 4.07Å; I747-V784 HydrophobicContact CD1-CB 4.33Å; I747-V784 HydrophobicContact CD1-CG1 3.32Å; I747-V784 HydrophobicContact CG1-CG1 4.44Å; D780-V784 CarbonylContact O-C 3.54Å; D780-V784 WeakPolarHBondContact O-CA 3.33Å; D780-V784 PolarHBondContact O-N 2.76Å |
| 785 | Q | 90.3 | Very high | 88.5 | Confident | 126 Ų | 126 | 60 Ų | 60 | 59% | 0.589 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.5 | -179 | -68.9 | -174 | -5.2 | 0 | 0 | 111.8 | W779 D780 E783 | W779-Q785 CarbonylContact C-O 3.57Å; W779-Q785 WeakPolarHBondContact CA-O 3.19Å; W779-Q785 VanDerWaalsContact CE3-C 3.49Å; D780-Q785 PolarHBondContact N-O 2.91Å; D780-Q785 PolarHBondContact O-N 2.77Å; D780-Q785 VanDerWaalsContact O-N 3.11Å; E783-Q785 HydrophobicContact CB-CG 4.23Å |
| 786 | M | 90.5 | Very high | 88.1 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 48% | 0.478 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 126.6 | 172.6 | -178.8 | -110 | -69 | 0 | 0 | 109.9 | W779 | W779-M786 HydrophobicContact CD2-CB 4.15Å; W779-M786 HydrophobicContact CE3-CB 4.37Å; W779-M786 HydrophobicContact CH2-CB 4.2Å; W779-M786 HydrophobicContact CZ2-CB 3.97Å; W779-M786 HydrophobicContact CZ3-CB 4.4Å |
| 787 | V | 91.4 | Very high | 87.6 | Confident | 73 Ų | 73 | 64.4 Ų | 64.4 | 44% | 0.442 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | -44.9 | -179.1 | 178.9 | 0 | 0 | 0 | 0 | 110.8 | V778 D780 | V778-V787 HydrophobicContact CG1-CB 4.47Å; V778-V787 WeakPolarHBondContact O-CB 3.17Å; V778-V787 PolarHBondContact O-N 2.77Å; D780-V787 HydrophobicContact CB-CG2 4Å |
| 788 | S | 90.5 | Very high | 87.2 | Confident | 9 Ų | 9 | 64.9 Ų | 64.9 | 6% | 0.063 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.9 | -179.2 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | E777 V778 M825 | E777-S788 VanDerWaalsContact CA-O 3.31Å; E777-S788 WeakPolarHBondContact CA-O 3.36Å; V778-S788 VanDerWaalsContact CB-OG 3.32Å; V778-S788 WeakPolarHBondContact CB-OG 3.43Å; V778-S788 WeakPolarHBondContact CG2-OG 3.35Å; V778-S788 PolarHBondContact N-O 2.99Å; V778-S788 PolarHBondContact O-N 3.12Å; S788-M825 WeakPolarHBondContact CB-O 3.46Å; S788-M825 PolarHBondContact OG-O 2.78Å |
| 789 | S | 90.6 | Very high | 86.9 | Confident | 37 Ų | 37 | 71.4 Ų | 71.4 | 26% | 0.259 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.1 | -178 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | R751 E777 | R751-S789 PolarHBondContact NH1-OG 2.65Å; E777-S789 WeakPolarHBondContact CG-OG 3.44Å; E777-S789 PolarHBondContact OE1-OG 2.58Å; E777-S789 VanDerWaalsContact OE1-OG 3.05Å |
| 790 | M | 88.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 71.1 Ų | 71.1 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 130.6 | 174.5 | -166.9 | 170.6 | 81.2 | 0 | 0 | 109 | R751 G775 A776 N795 V796 Y798 I800 L813 L823 M827 | R751-M790 PolarHBondContact NH2-O 3.36Å; G775-M790 CarbonylContact C-O 3.54Å; G775-M790 VanDerWaalsContact CA-O 3.24Å; G775-M790 WeakPolarHBondContact CA-O 3.36Å; A776-M790 PolarHBondContact N-O 2.95Å; A776-M790 PolarHBondContact O-N 2.95Å; M790-N795 HydrophobicContact CG-CB 4.44Å; M790-V796 HydrophobicContact CE-CG1 4.4Å; M790-V796 HydrophobicContact CE-CG2 4.31Å; M790-V796 HydrophobicContact CG-CG1 3.75Å; M790-V796 HydrophobicContact CG-CG2 3.92Å; M790-V796 HydrophobicContact SD-CG1 3.59Å; M790-V796 VanDerWaalsContact SD-CG1 3.59Å; M790-V796 HydrophobicContact SD-CG2 4.34Å; M790-Y798 HydrophobicContact CE-CE2 4.1Å; M790-I800 HydrophobicContact CE-CD1 3.35Å; M790-I800 HydrophobicContact CE-CG1 3.83Å; M790-L813 HydrophobicContact CE-CD1 3.29Å; M790-L813 HydrophobicContact SD-CD1 4.17Å; M790-L823 HydrophobicContact SD-CD1 4.34Å; M790-M827 HydrophobicContact CB-CB 4.32Å |
| 791 | R | 88.6 | Confident | 86.7 | Confident | 107 Ų | 107 | 72.5 Ų | 72.5 | 40% | 0.404 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 134.4 | -175.8 | -166.1 | -179.9 | -167.9 | -167.3 | 1.7 | 112.3 | D774 R794 N795 V796 | D774-R791 IonicContact OD2-CZ 2.75Å; D774-R791 IonicContact OD2-NE 3.12Å; D774-R791 PolarHBondContact OD2-NE 3.45Å; D774-R791 IonicContact OD2-NH2 3.41Å; D774-R791 PolarHBondContact OD2-NH2 2.9Å; R791-R794 HydrophobicContact CB-CB 4.41Å; R791-R794 PolarHBondContact O-N 2.94Å; R791-N795 PolarHBondContact O-N 3.42Å; R791-V796 PolarHBondContact O-N 3.18Å |
| 792 | F | 84.5 | Confident | 86.9 | Confident | 95 Ų | 95 | 73 Ų | 73 | 42% | 0.417 | 36% | 0.355 | S | S | . | . | B | Isolated β-bridge | trans | -61.4 | 137.6 | 172 | 174.9 | -104.2 | 0 | 0 | 0 | 111.5 | D774 R794 V796 N797 Y798 R799 | D774-F792 PolarHBondContact O-N 3.26Å; F792-R794 PolarHBondContact O-N 3.02Å; F792-V796 CarbonylContact C-O 3.57Å; F792-V796 WeakPolarHBondContact CA-O 3.5Å; F792-N797 WeakPolarHBondContact CE2-O 3.3Å; F792-Y798 WeakPolarHBondContact CD2-O 3.41Å; F792-R799 HydrophobicContact CD1-CG 4.41Å; F792-R799 HydrophobicContact CD2-CG 3.88Å; F792-R799 HydrophobicContact CE2-CG 4.05Å; F792-R799 HydrophobicContact CG-CG 4.05Å; F792-R799 HydrophobicContact CZ-CG 4.4Å |
| 793 | G | 76.7 | Confident | 87.3 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -14.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V796 | G793-V796 PolarHBondContact N-O 3.48Š|
| 794 | R | 78.8 | Confident | 87.7 | Confident | 203 Ų | 203 | 60.9 Ų | 60.9 | 77% | 0.766 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.9 | -56.7 | 175.6 | -171.3 | -179 | -174.6 | -177.3 | 2 | 112 | R791 F792 | R791-R794 HydrophobicContact CB-CB 4.41Å; R791-R794 PolarHBondContact O-N 2.94Å; F792-R794 PolarHBondContact O-N 3.02Å |
| 795 | N | 78.9 | Confident | 87.9 | Confident | 98 Ų | 98 | 60.3 Ų | 60.3 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -40.3 | -176.7 | -59.9 | 85.5 | 0 | 0 | 0 | 111.2 | M790 R791 | M790-N795 HydrophobicContact CG-CB 4.44Å; R791-N795 PolarHBondContact O-N 3.42Å |
| 796 | V | 82.6 | Confident | 87.8 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -132.1 | 153.5 | -175.3 | -64.5 | 0 | 0 | 0 | 0 | 111.3 | M790 R791 F792 G793 Y798 | M790-V796 HydrophobicContact CE-CG1 4.4Å; M790-V796 HydrophobicContact CE-CG2 4.31Å; M790-V796 HydrophobicContact CG-CG1 3.75Å; M790-V796 HydrophobicContact CG-CG2 3.92Å; M790-V796 HydrophobicContact SD-CG1 3.59Å; M790-V796 VanDerWaalsContact SD-CG1 3.59Å; M790-V796 HydrophobicContact SD-CG2 4.34Å; R791-V796 PolarHBondContact O-N 3.18Å; F792-V796 CarbonylContact C-O 3.57Å; F792-V796 WeakPolarHBondContact CA-O 3.5Å; G793-V796 PolarHBondContact N-O 3.48Å; V796-Y798 HydrophobicContact CB-CD1 4.27Å; V796-Y798 HydrophobicContact CB-CD2 4.45Å; V796-Y798 HydrophobicContact CB-CE1 3.88Å; V796-Y798 HydrophobicContact CB-CE2 4.09Å; V796-Y798 HydrophobicContact CG1-CE1 4.03Å; V796-Y798 HydrophobicContact CG1-CE2 4.26Å; V796-Y798 HydrophobicContact CG2-CD2 4.43Å; V796-Y798 HydrophobicContact CG2-CE2 4.19Å |
| 797 | N | 82 | Confident | 87.6 | Confident | 79 Ų | 79 | 51.3 Ų | 51.3 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -105.6 | 13.3 | -178.2 | -69 | -12.7 | 0 | 0 | 0 | 113.7 | K61 F792 | K61-N797 VanDerWaalsContact CA-ND2 3.3Å; K61-N797 WeakPolarHBondContact CA-ND2 3.08Å; K61-N797 WeakPolarHBondContact CB-ND2 3.46Å; K61-N797 PolarHBondContact O-ND2 3.5Å; F792-N797 WeakPolarHBondContact CE2-O 3.3Å |
| 798 | Y | 86.4 | Confident | 87.4 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 8% | 0.078 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -123.8 | 150.9 | 175.7 | 52.5 | -100.5 | 0 | 0 | 0 | 109.8 | M790 F792 V796 S815 D816 R821 | M790-Y798 HydrophobicContact CE-CE2 4.1Å; F792-Y798 WeakPolarHBondContact CD2-O 3.41Å; V796-Y798 HydrophobicContact CB-CD1 4.27Å; V796-Y798 HydrophobicContact CB-CD2 4.45Å; V796-Y798 HydrophobicContact CB-CE1 3.88Å; V796-Y798 HydrophobicContact CB-CE2 4.09Å; V796-Y798 HydrophobicContact CG1-CE1 4.03Å; V796-Y798 HydrophobicContact CG1-CE2 4.26Å; V796-Y798 HydrophobicContact CG2-CD2 4.43Å; V796-Y798 HydrophobicContact CG2-CE2 4.19Å; Y798-S815 VanDerWaalsContact CD2-CB 3.41Å; Y798-D816 WeakPolarHBondContact CA-OD1 3.45Å; Y798-R821 WeakPolarHBondContact OH-CD 3.48Å; Y798-R821 PolarHBondContact OH-NE 2.92Å |
| 799 | R | 88.4 | Confident | 87.2 | Confident | 136 Ų | 136 | 53.5 Ų | 53.5 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | trans | -89.3 | 143.3 | 175.3 | -63.9 | -179.8 | -65 | 156.1 | 3.2 | 109.9 | F792 S815 D816 | F792-R799 HydrophobicContact CD1-CG 4.41Å; F792-R799 HydrophobicContact CD2-CG 3.88Å; F792-R799 HydrophobicContact CE2-CG 4.05Å; F792-R799 HydrophobicContact CG-CG 4.05Å; F792-R799 HydrophobicContact CZ-CG 4.4Å; R799-S815 CarbonylContact O-C 3.59Å; R799-S815 VanDerWaalsContact O-CA 3.25Å; R799-S815 WeakPolarHBondContact O-CA 3.36Å; R799-D816 HydrophobicContact CB-CB 4.47Å; R799-D816 IonicContact CZ-OD2 2.58Å; R799-D816 PolarHBondContact N-OD1 3.19Å; R799-D816 IonicContact NE-OD2 3.7Å; R799-D816 PolarHBondContact NE-OD2 3.38Å; R799-D816 IonicContact NH2-OD2 2.79Å; R799-D816 PolarHBondContact NH2-OD2 3.48Å; R799-D816 PolarHBondContact O-N 3.07Å | ||
| 800 | I | 91.4 | Very high | 87.1 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126 | 176.8 | -52.8 | 174.5 | 0 | 0 | 0 | 108.2 | M771 A776 M790 I803 | M771-I800 HydrophobicContact CG-CG2 4.49Å; M771-I800 HydrophobicContact SD-CG2 4.02Å; A776-I800 HydrophobicContact CB-CD1 3.5Å; A776-I800 VanDerWaalsContact CB-CD1 3.5Å; M790-I800 HydrophobicContact CE-CD1 3.35Å; M790-I800 HydrophobicContact CE-CG1 3.83Å; I800-I803 HydrophobicContact CG2-CG2 3.6Å |
| 801 | L | 91.5 | Very high | 87.3 | Confident | 56 Ų | 56 | 52.9 Ų | 52.9 | 29% | 0.293 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -41.4 | 179.2 | -63.9 | -179.4 | 0 | 0 | 0 | 111.7 | P469 A814 D816 | P469-L801 HydrophobicContact CB-CD1 3.42Å; P469-L801 VanDerWaalsContact CB-CD1 3.42Å; P469-L801 HydrophobicContact CG-CD1 4.31Å; L801-A814 PolarHBondContact N-O 2.9Å; L801-D816 HydrophobicContact CD1-CB 4.17Å; L801-D816 HydrophobicContact CD2-CB 4.12Å; L801-D816 HydrophobicContact CG-CB 4.17Å |
| 802 | D | 92.5 | Very high | 87.5 | Confident | 22 Ų | 22 | 47.8 Ų | 47.8 | 12% | 0.118 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 157.1 | -179.9 | -164.4 | 18.2 | 0 | 0 | 0 | 111.6 | I473 K756 A814 | I473-D802 HydrophobicContact CG1-CB 3.97Å; I473-D802 WeakPolarHBondContact CG1-OD2 3.49Å; I473-D802 PolarHBondContact N-OD2 3.34Å; K756-D802 WeakPolarHBondContact CD-OD1 3.29Å; K756-D802 WeakPolarHBondContact CE-OD1 3.41Å; K756-D802 VanDerWaalsContact NZ-CG 3.34Å; K756-D802 IonicContact NZ-OD1 3.02Å; K756-D802 PolarHBondContact NZ-OD1 3.2Å; K756-D802 IonicContact NZ-OD2 3.32Å; K756-D802 PolarHBondContact NZ-OD2 2.8Å; D802-A814 HydrophobicContact CB-CB 4.33Å; D802-A814 PolarHBondContact N-O 3.38Å; D802-A814 PolarHBondContact O-N 3.38Å |
| 803 | I | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.9 | -175.5 | 61.5 | 158.3 | 0 | 0 | 0 | 112.2 | K756 L769 M771 A776 I800 V812 L813 | K756-I803 HydrophobicContact CB-CD1 4.37Å; K756-I803 HydrophobicContact CB-CG1 4.22Å; K756-I803 HydrophobicContact CD-CG1 3.92Å; K756-I803 WeakPolarHBondContact CE-O 3.14Å; K756-I803 HydrophobicContact CG-CG1 4.25Å; K756-I803 PolarHBondContact NZ-O 3.11Å; L769-I803 HydrophobicContact CB-CD1 4.37Å; L769-I803 HydrophobicContact CD2-CB 3.87Å; L769-I803 HydrophobicContact CD2-CD1 3.74Å; L769-I803 HydrophobicContact CD2-CG1 4.26Å; L769-I803 HydrophobicContact CG-CD1 3.58Å; M771-I803 HydrophobicContact CB-CD1 3.45Å; M771-I803 VanDerWaalsContact CB-CD1 3.45Å; M771-I803 HydrophobicContact CB-CG1 3.75Å; M771-I803 HydrophobicContact CB-CG2 4.06Å; M771-I803 HydrophobicContact CG-CG2 4.22Å; M771-I803 HydrophobicContact SD-CG1 4.17Å; M771-I803 HydrophobicContact SD-CG2 3.86Å; A776-I803 HydrophobicContact CB-CG2 4.49Å; I800-I803 HydrophobicContact CG2-CG2 3.6Å; I803-V812 WeakPolarHBondContact CA-O 3.47Å; I803-L813 HydrophobicContact CB-CD2 4.16Å; I803-L813 HydrophobicContact CG2-CD2 3.47Å; I803-L813 VanDerWaalsContact CG2-CD2 3.47Å |
| 804 | D | 94.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 169.9 | 165.2 | -147.4 | -7.4 | 0 | 0 | 0 | 111.5 | R474 M475 V812 | R474-D804 IonicContact CZ-OD2 3.88Å; R474-D804 IonicContact NH1-OD1 2.82Å; R474-D804 PolarHBondContact NH1-OD1 3.4Å; R474-D804 IonicContact NH1-OD2 3.19Å; R474-D804 PolarHBondContact NH1-OD2 2.61Å; M475-D804 PolarHBondContact N-OD2 2.69Å; D804-V812 PolarHBondContact N-O 3.41Å; D804-V812 PolarHBondContact O-N 3.16Å |
| 805 | W | 92.7 | Very high | 89.2 | Confident | 9 Ų | 9 | 30.9 Ų | 30.9 | 3% | 0.034 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.2 | 170.5 | -72.6 | 90.4 | 0 | 0 | 0 | 110.8 | M475 R758 A760 P761 K767 L769 V778 V811 M825 | M475-W805 VanDerWaalsContact CB-O 3.27Å; M475-W805 WeakPolarHBondContact CB-O 3.36Å; M475-W805 WeakPolarHBondContact CG-O 3.3Å; R758-W805 PolarHBondContact O-NE1 3.14Å; A760-W805 HydrophobicContact CB-CD2 3.67Å; A760-W805 HydrophobicContact CB-CE3 3.75Å; A760-W805 HydrophobicContact CB-CG 4.37Å; A760-W805 HydrophobicContact CB-CH2 3.79Å; A760-W805 HydrophobicContact CB-CZ2 3.69Å; A760-W805 HydrophobicContact CB-CZ3 3.81Å; P761-W805 HydrophobicContact CG-CB 4.35Å; K767-W805 HydrophobicContact CB-CH2 4.03Å; K767-W805 HydrophobicContact CB-CZ2 4.3Å; L769-W805 HydrophobicContact CB-CZ2 3.68Å; V778-W805 HydrophobicContact CG1-CH2 4.01Å; V778-W805 HydrophobicContact CG1-CZ2 4.37Å; W805-V811 HydrophobicContact CD2-CG1 4.15Å; W805-V811 HydrophobicContact CE3-CG1 3.73Å; W805-V811 HydrophobicContact CH2-CG1 3.97Å; W805-V811 HydrophobicContact CZ2-CG1 4.37Å; W805-V811 HydrophobicContact CZ3-CG1 3.64Å; W805-M825 HydrophobicContact CH2-CG 4.09Å; W805-M825 HydrophobicContact CH2-SD 4.45Å; W805-M825 HydrophobicContact CZ3-CG 3.88Å; W805-M825 HydrophobicContact CZ3-SD 4.32Å |
| 806 | C | 87.3 | Confident | 89.6 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -89.5 | -52.4 | 173.9 | -156.5 | 0 | 0 | 0 | 0 | 111.7 | L10 M475 L505 K810 V812 | L10-C806 HydrophobicContact CD2-CB 3.84Å; L10-C806 WeakPolarHBondContact CD2-SG 3.17Å; M475-C806 WeakPolarHBondContact CE-SG 3.46Å; L505-C806 WeakPolarHBondContact CD1-SG 3.2Å; C806-K810 HydrophobicContact CB-CB 4.25Å; C806-K810 PolarHBondContact N-O 2.89Å; C806-V812 HydrophobicContact CB-CG2 3.54Å |
| 807 | T | 86.2 | Confident | 89.7 | Confident | 31 Ų | 31 | 28.5 Ų | 28.5 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -134.9 | -174.4 | 179 | 58 | 0 | 0 | 0 | 0 | 108.6 | L10 P761 D809 K810 | L10-T807 HydrophobicContact CB-CG2 4.36Å; L10-T807 HydrophobicContact CD2-CG2 4.02Å; P761-T807 WeakPolarHBondContact CD-O 3.44Å; P761-T807 WeakPolarHBondContact CG-O 3.38Å; T807-D809 WeakPolarHBondContact CB-OD1 3.2Å; T807-D809 PolarHBondContact O-N 3.48Å; T807-D809 PolarHBondContact OG1-OD1 3.4Å; T807-K810 PolarHBondContact N-O 3.48Å; T807-K810 VanDerWaalsContact OG1-CB 3.29Å; T807-K810 WeakPolarHBondContact OG1-CB 3.47Å; T807-K810 PolarHBondContact OG1-N 3.01Å |
| 808 | S | 86.7 | Confident | 89.9 | Confident | 62 Ų | 62 | 24.8 Ų | 24.8 | 43% | 0.434 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -64.5 | -21 | 178.3 | 44 | 0 | 0 | 0 | 0 | 114.2 | N765 | N765-S808 PolarHBondContact ND2-O 3.2Š|
| 809 | D | 86.6 | Confident | 90.1 | Very high | 65 Ų | 65 | 23.8 Ų | 23.8 | 35% | 0.348 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -124.5 | -3.3 | -169.8 | 63.9 | -46.7 | 0 | 0 | 0 | 113.6 | T807 M825 | T807-D809 WeakPolarHBondContact CB-OD1 3.2Å; T807-D809 PolarHBondContact O-N 3.48Å; T807-D809 PolarHBondContact OG1-OD1 3.4Å; D809-M825 WeakPolarHBondContact O-CG 3.48Å; D809-M825 PolarHBondContact O-N 3.44Å; D809-M825 VanDerWaalsContact O-N 3.13Å |
| 810 | K | 89.4 | Confident | 90.2 | Very high | 25 Ų | 25 | 17.3 Ų | 17.3 | 11% | 0.109 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.3 | -177.3 | -59.5 | -172.5 | 170.6 | 81.7 | 0 | 112.7 | L10 C806 T807 V822 L823 | L10-K810 HydrophobicContact CB-CD 4.46Å; L10-K810 HydrophobicContact CD2-CD 4.05Å; L10-K810 HydrophobicContact CG-CD 4.47Å; L10-K810 WeakPolarHBondContact O-CD 3.5Å; L10-K810 WeakPolarHBondContact O-CE 3.48Å; L10-K810 PolarHBondContact O-NZ 3.15Å; C806-K810 HydrophobicContact CB-CB 4.25Å; C806-K810 PolarHBondContact N-O 2.89Å; T807-K810 PolarHBondContact N-O 3.48Å; T807-K810 VanDerWaalsContact OG1-CB 3.29Å; T807-K810 WeakPolarHBondContact OG1-CB 3.47Å; T807-K810 PolarHBondContact OG1-N 3.01Å; K810-V822 HydrophobicContact CB-CG1 4.46Å; K810-V822 HydrophobicContact CD-CG1 4.44Å; K810-L823 VanDerWaalsContact CA-O 3.3Å; K810-L823 WeakPolarHBondContact CA-O 3.34Å; K810-L823 WeakPolarHBondContact CB-O 3.07Å |
| 811 | V | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 149.9 | -175.8 | -62.3 | 0 | 0 | 0 | 0 | 110 | L769 W805 V822 L823 M827 | L769-V811 HydrophobicContact CD1-CG1 4.2Å; L769-V811 HydrophobicContact CD2-CB 4.3Å; L769-V811 HydrophobicContact CD2-CG1 4.13Å; W805-V811 HydrophobicContact CD2-CG1 4.15Å; W805-V811 HydrophobicContact CE3-CG1 3.73Å; W805-V811 HydrophobicContact CH2-CG1 3.97Å; W805-V811 HydrophobicContact CZ2-CG1 4.37Å; W805-V811 HydrophobicContact CZ3-CG1 3.64Å; V811-V822 CarbonylContact O-C 3.37Å; V811-V822 WeakPolarHBondContact O-CA 3.41Å; V811-L823 HydrophobicContact CG2-CB 3.9Å; V811-L823 PolarHBondContact N-O 2.9Å; V811-L823 PolarHBondContact O-N 2.76Å; V811-M827 HydrophobicContact CB-CE 3.74Å; V811-M827 HydrophobicContact CB-SD 4.46Å; V811-M827 HydrophobicContact CG1-CE 3.77Å; V811-M827 HydrophobicContact CG2-CE 3.17Å; V811-M827 HydrophobicContact CG2-SD 3.29Å; V811-M827 WeakPolarHBondContact CG2-SD 3.43Å |
| 812 | V | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.5 | 174.9 | -171.3 | 0 | 0 | 0 | 0 | 108.7 | I473 L491 L505 I803 D804 C806 V820 R821 V822 | I473-V812 HydrophobicContact CD1-CB 4.24Å; I473-V812 HydrophobicContact CD1-CG1 3.8Å; L491-V812 HydrophobicContact CD1-CG1 4.3Å; L491-V812 HydrophobicContact CD2-CG1 3.95Å; L505-V812 HydrophobicContact CD1-CG2 4.24Å; I803-V812 WeakPolarHBondContact CA-O 3.47Å; D804-V812 PolarHBondContact N-O 3.41Å; D804-V812 PolarHBondContact O-N 3.16Å; C806-V812 HydrophobicContact CB-CG2 3.54Å; V812-V820 HydrophobicContact CG1-CG1 3.45Å; V812-V820 VanDerWaalsContact CG1-CG1 3.45Å; V812-R821 CarbonylContact C-O 3.57Å; V812-R821 WeakPolarHBondContact CA-O 3.33Å; V812-V822 HydrophobicContact CG2-CG2 4.3Å |
| 813 | L | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 13.2 Ų | 13.2 | 1% | 0.005 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 128 | -179.8 | -51.1 | 177.8 | 0 | 0 | 0 | 109.4 | M790 I803 V820 R821 L823 M827 | M790-L813 HydrophobicContact CE-CD1 3.29Å; M790-L813 HydrophobicContact SD-CD1 4.17Å; I803-L813 HydrophobicContact CB-CD2 4.16Å; I803-L813 HydrophobicContact CG2-CD2 3.47Å; I803-L813 VanDerWaalsContact CG2-CD2 3.47Å; L813-V820 CarbonylContact O-C 3.49Å; L813-V820 WeakPolarHBondContact O-CA 3.28Å; L813-R821 PolarHBondContact N-O 3.4Å; L813-R821 PolarHBondContact O-N 2.91Å; L813-L823 HydrophobicContact CD1-CD1 3.7Å; L813-M827 HydrophobicContact CD1-SD 3.9Å; L813-M827 HydrophobicContact CD2-CE 4.36Å |
| 814 | A | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F471 I473 L801 D802 V820 | F471-A814 HydrophobicContact CB-CB 4.37Å; F471-A814 HydrophobicContact CD2-CB 4.26Å; I473-A814 HydrophobicContact CD1-CB 4.02Å; I473-A814 HydrophobicContact CG1-CB 4.3Å; I473-A814 HydrophobicContact CG2-CB 3.88Å; L801-A814 PolarHBondContact N-O 2.9Å; D802-A814 HydrophobicContact CB-CB 4.33Å; D802-A814 PolarHBondContact N-O 3.38Å; D802-A814 PolarHBondContact O-N 3.38Å; A814-V820 HydrophobicContact CB-CG2 4.23Å |
| 815 | S | 90.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.5 | -175 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | Y798 R799 D817 G818 C819 R821 | Y798-S815 VanDerWaalsContact CD2-CB 3.41Å; R799-S815 CarbonylContact O-C 3.59Å; R799-S815 VanDerWaalsContact O-CA 3.25Å; R799-S815 WeakPolarHBondContact O-CA 3.36Å; S815-D817 WeakPolarHBondContact CB-OD1 3.47Å; S815-D817 PolarHBondContact O-N 3.42Å; S815-D817 PolarHBondContact OG-OD1 3.44Å; S815-G818 PolarHBondContact O-N 2.59Å; S815-C819 PolarHBondContact N-O 3.46Å; S815-C819 PolarHBondContact OG-O 2.89Å; S815-R821 PolarHBondContact OG-NH1 3.45Å |
| 816 | D | 88.1 | Confident | 89 | Confident | 50 Ų | 50 | 21.9 Ų | 21.9 | 27% | 0.267 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -7.9 | -178 | 71.8 | -19.4 | 0 | 0 | 0 | 114.8 | P469 Y798 R799 L801 G818 | P469-D816 WeakPolarHBondContact CG-O 3.21Å; Y798-D816 WeakPolarHBondContact CA-OD1 3.45Å; R799-D816 HydrophobicContact CB-CB 4.47Å; R799-D816 IonicContact CZ-OD2 2.58Å; R799-D816 PolarHBondContact N-OD1 3.19Å; R799-D816 IonicContact NE-OD2 3.7Å; R799-D816 PolarHBondContact NE-OD2 3.38Å; R799-D816 IonicContact NH2-OD2 2.79Å; R799-D816 PolarHBondContact NH2-OD2 3.48Å; R799-D816 PolarHBondContact O-N 3.07Å; L801-D816 HydrophobicContact CD1-CB 4.17Å; L801-D816 HydrophobicContact CD2-CB 4.12Å; L801-D816 HydrophobicContact CG-CB 4.17Å; D816-G818 PolarHBondContact O-N 3.44Å |
| 817 | D | 85.2 | Confident | 88.8 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 9.2 | 166.5 | 67.9 | -6.1 | 0 | 0 | 0 | 113.1 | H40 S815 C819 R821 | H40-D817 PolarHBondContact CD2-O 3.24Å; H40-D817 PolarHBondContact NE2-O 2.67Å; H40-D817 VanDerWaalsContact NE2-O 3.15Å; S815-D817 WeakPolarHBondContact CB-OD1 3.47Å; S815-D817 PolarHBondContact O-N 3.42Å; S815-D817 PolarHBondContact OG-OD1 3.44Å; D817-C819 VanDerWaalsContact C-N 3.26Å; D817-C819 PolarHBondContact O-N 3.04Å; D817-C819 WeakPolarHBondContact OD1-CB 3.43Å; D817-C819 PolarHBondContact OD1-N 2.84Å; D817-C819 VanDerWaalsContact OD1-N 3.11Å; D817-R821 IonicContact OD1-NH1 3.59Å; D817-R821 PolarHBondContact OD1-NH1 2.82Å; D817-R821 IonicContact OD2-CZ 3.84Å; D817-R821 IonicContact OD2-NH1 3.86Å; D817-R821 PolarHBondContact OD2-NH1 2.92Å; D817-R821 IonicContact OD2-NH2 3.92Å; D817-R821 PolarHBondContact OD2-NH2 2.95Å |
| 818 | G | 86.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 78.9 | 4.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G17 L466 S815 D816 | G17-G818 WeakPolarHBondContact CA-O 3.3Å; G17-G818 PolarHBondContact N-O 2.9Å; L466-G818 WeakPolarHBondContact CB-O 3.21Å; S815-G818 PolarHBondContact O-N 2.59Å; D816-G818 PolarHBondContact O-N 3.44Å |
| 819 | C | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -96.2 | 155.6 | -179.9 | -59.6 | 0 | 0 | 0 | 0 | 112.4 | T14 L15 S815 D817 | T14-C819 HydrophobicContact CG2-CB 3.97Å; L15-C819 CarbonylContact O-C 3.6Å; L15-C819 VanDerWaalsContact O-CA 3.27Å; L15-C819 WeakPolarHBondContact O-CA 3.44Å; S815-C819 PolarHBondContact N-O 3.46Å; S815-C819 PolarHBondContact OG-O 2.89Å; D817-C819 VanDerWaalsContact C-N 3.26Å; D817-C819 PolarHBondContact O-N 3.04Å; D817-C819 WeakPolarHBondContact OD1-CB 3.43Å; D817-C819 PolarHBondContact OD1-N 2.84Å; D817-C819 VanDerWaalsContact OD1-N 3.11Å | ||
| 820 | V | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.3 | 167 | 171.2 | 0 | 0 | 0 | 0 | 108.5 | L15 L466 I473 L491 V812 L813 A814 | L15-V820 HydrophobicContact CB-CB 4.25Å; L15-V820 HydrophobicContact CD1-CB 4.46Å; L15-V820 HydrophobicContact CD1-CG1 4.46Å; L15-V820 PolarHBondContact N-O 2.84Å; L15-V820 PolarHBondContact O-N 2.64Å; L466-V820 HydrophobicContact CD1-CB 3.84Å; L466-V820 HydrophobicContact CD1-CG2 3.56Å; I473-V820 HydrophobicContact CG2-CG2 4.4Å; L491-V820 HydrophobicContact CD2-CG1 3.71Å; V812-V820 HydrophobicContact CG1-CG1 3.45Å; V812-V820 VanDerWaalsContact CG1-CG1 3.45Å; L813-V820 CarbonylContact O-C 3.49Å; L813-V820 WeakPolarHBondContact O-CA 3.28Å; A814-V820 HydrophobicContact CB-CG2 4.23Å |
| 821 | R | 90.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.7 | -173.4 | -64.8 | -178.4 | 170.9 | 85.6 | -0.3 | 110.7 | T14 E58 Y798 V812 L813 S815 D817 L823 | T14-R821 HydrophobicContact CG2-CG 3.82Å; E58-R821 IonicContact OE1-CZ 3.93Å; E58-R821 IonicContact OE1-NE 3.33Å; E58-R821 PolarHBondContact OE1-NE 3.3Å; E58-R821 IonicContact OE1-NH2 3.12Å; Y798-R821 WeakPolarHBondContact OH-CD 3.48Å; Y798-R821 PolarHBondContact OH-NE 2.92Å; V812-R821 CarbonylContact C-O 3.57Å; V812-R821 WeakPolarHBondContact CA-O 3.33Å; L813-R821 PolarHBondContact N-O 3.4Å; L813-R821 PolarHBondContact O-N 2.91Å; S815-R821 PolarHBondContact OG-NH1 3.45Å; D817-R821 IonicContact OD1-NH1 3.59Å; D817-R821 PolarHBondContact OD1-NH1 2.82Å; D817-R821 IonicContact OD2-CZ 3.84Å; D817-R821 IonicContact OD2-NH1 3.86Å; D817-R821 PolarHBondContact OD2-NH1 2.92Å; D817-R821 IonicContact OD2-NH2 3.92Å; D817-R821 PolarHBondContact OD2-NH2 2.95Å; R821-L823 HydrophobicContact CB-CD2 4.25Å; R821-L823 HydrophobicContact CB-CG 4.16Å |
| 822 | V | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 111.5 | 167.8 | -176.2 | 0 | 0 | 0 | 0 | 107 | L10 A12 R13 L505 K810 V811 V812 | L10-V822 HydrophobicContact CD2-CG1 3.91Å; A12-V822 CarbonylContact C-O 3.59Å; A12-V822 WeakPolarHBondContact CA-O 3.47Å; A12-V822 WeakPolarHBondContact CB-O 3.21Å; R13-V822 HydrophobicContact CG-CB 4.12Å; R13-V822 HydrophobicContact CG-CG2 4.1Å; R13-V822 PolarHBondContact N-O 3.39Å; R13-V822 PolarHBondContact O-N 2.99Å; L505-V822 HydrophobicContact CD1-CG2 4.14Å; L505-V822 HydrophobicContact CD2-CG2 4.2Å; K810-V822 HydrophobicContact CB-CG1 4.46Å; K810-V822 HydrophobicContact CD-CG1 4.44Å; V811-V822 CarbonylContact O-C 3.37Å; V811-V822 WeakPolarHBondContact O-CA 3.41Å; V812-V822 HydrophobicContact CG2-CG2 4.3Å |
| 823 | L | 89.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 158.2 | -177 | -56.8 | 178.2 | 0 | 0 | 0 | 110.6 | M790 K810 V811 L813 R821 M827 A830 | M790-L823 HydrophobicContact SD-CD1 4.34Å; K810-L823 VanDerWaalsContact CA-O 3.3Å; K810-L823 WeakPolarHBondContact CA-O 3.34Å; K810-L823 WeakPolarHBondContact CB-O 3.07Å; V811-L823 HydrophobicContact CG2-CB 3.9Å; V811-L823 PolarHBondContact N-O 2.9Å; V811-L823 PolarHBondContact O-N 2.76Å; L813-L823 HydrophobicContact CD1-CD1 3.7Å; R821-L823 HydrophobicContact CB-CD2 4.25Å; R821-L823 HydrophobicContact CB-CG 4.16Å; L823-M827 HydrophobicContact CB-SD 4.37Å; L823-M827 HydrophobicContact CD1-SD 4.05Å; L823-A830 HydrophobicContact CD2-CB 3.89Å |
| 824 | E | 88.4 | Confident | 84.2 | Confident | 113 Ų | 113 | 34.4 Ų | 34.4 | 53% | 0.528 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 162.2 | 163 | -60.2 | -159.1 | 151.4 | 0 | 0 | 111.2 | A826 M827 | E824-A826 PolarHBondContact O-N 2.95Å; E824-M827 PolarHBondContact O-N 2.71Å |
| 825 | M | 86.4 | Confident | 83.1 | Confident | 37 Ų | 37 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -24.6 | 173.9 | -81.7 | 175 | 69.8 | 0 | 0 | 114.3 | K767 V778 S788 W805 D809 M827 | K767-M825 HydrophobicContact CB-CE 4.05Å; K767-M825 HydrophobicContact CD-CE 3.61Å; K767-M825 HydrophobicContact CG-CE 3.52Å; K767-M825 HydrophobicContact CG-SD 4.49Å; V778-M825 HydrophobicContact CG1-CE 3.89Å; S788-M825 WeakPolarHBondContact CB-O 3.46Å; S788-M825 PolarHBondContact OG-O 2.78Å; W805-M825 HydrophobicContact CH2-CG 4.09Å; W805-M825 HydrophobicContact CH2-SD 4.45Å; W805-M825 HydrophobicContact CZ3-CG 3.88Å; W805-M825 HydrophobicContact CZ3-SD 4.32Å; D809-M825 WeakPolarHBondContact O-CG 3.48Å; D809-M825 PolarHBondContact O-N 3.44Å; D809-M825 VanDerWaalsContact O-N 3.13Å; M825-M827 VanDerWaalsContact C-N 3.28Å; M825-M827 PolarHBondContact O-N 3.15Å |
| 826 | A | 86.1 | Confident | 82.1 | Confident | 51 Ų | 51 | 46 Ų | 46 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -17.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E824 K828 | E824-A826 PolarHBondContact O-N 2.95Å; A826-K828 HydrophobicContact CB-CG 4.46Å; A826-K828 PolarHBondContact O-N 3.06Å |
| 827 | M | 83.3 | Confident | 81.2 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | trans | 56.1 | 37.5 | 175.1 | -58.5 | -75.2 | -163.8 | 0 | 0 | 115.1 | L769 V778 M790 V811 L813 L823 E824 M825 | L769-M827 HydrophobicContact CD1-CE 3.42Å; L769-M827 VanDerWaalsContact CD1-CE 3.42Å; V778-M827 HydrophobicContact CG2-CE 3.66Å; V778-M827 HydrophobicContact CG2-CG 4.48Å; M790-M827 HydrophobicContact CB-CB 4.32Å; V811-M827 HydrophobicContact CB-CE 3.74Å; V811-M827 HydrophobicContact CB-SD 4.46Å; V811-M827 HydrophobicContact CG1-CE 3.77Å; V811-M827 HydrophobicContact CG2-CE 3.17Å; V811-M827 HydrophobicContact CG2-SD 3.29Å; V811-M827 WeakPolarHBondContact CG2-SD 3.43Å; L813-M827 HydrophobicContact CD1-SD 3.9Å; L813-M827 HydrophobicContact CD2-CE 4.36Å; L823-M827 HydrophobicContact CB-SD 4.37Å; L823-M827 HydrophobicContact CD1-SD 4.05Å; E824-M827 PolarHBondContact O-N 2.71Å; M825-M827 VanDerWaalsContact C-N 3.28Å; M825-M827 PolarHBondContact O-N 3.15Å | ||
| 828 | K | 75.4 | Confident | 80.3 | Confident | 193 Ų | 193 | 48.8 Ų | 48.8 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -95.5 | -61.3 | -174.6 | -71.3 | -175.6 | 179.1 | 177 | 0 | 115 | A826 | A826-K828 HydrophobicContact CB-CG 4.46Å; A826-K828 PolarHBondContact O-N 3.06Å |
| 829 | S | 72.8 | Confident | 79.7 | Confident | 43 Ų | 43 | 51.2 Ų | 51.2 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -156.5 | 155.2 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 109.7 | S831 | S829-S831 VanDerWaalsContact C-N 3.3Å; S829-S831 PolarHBondContact OG-N 3.2Å; S829-S831 PolarHBondContact OG-OG 2.86Å | ||
| 830 | A | 72.4 | Confident | 78.9 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.008 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -86.4 | 1.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T14 E58 L823 Y832 | T14-A830 WeakPolarHBondContact OG1-CB 3.36Å; E58-A830 PolarHBondContact OE2-N 2.67Å; E58-A830 VanDerWaalsContact OE2-N 3.12Å; L823-A830 HydrophobicContact CD2-CB 3.89Å; A830-Y832 VanDerWaalsContact O-CD1 3.32Å; A830-Y832 WeakPolarHBondContact O-CD1 3.27Å |
| 831 | S | 77.9 | Confident | 78.3 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | trans | -77.1 | 133.5 | 175.3 | -38.9 | 0 | 0 | 0 | 0 | 109.8 | V56 E58 S829 | V56-S831 WeakPolarHBondContact O-CA 3.27Å; V56-S831 WeakPolarHBondContact O-CB 3.46Å; V56-S831 PolarHBondContact O-OG 3.44Å; E58-S831 PolarHBondContact N-OG 3.03Å; S829-S831 VanDerWaalsContact C-N 3.3Å; S829-S831 PolarHBondContact OG-N 3.2Å; S829-S831 PolarHBondContact OG-OG 2.86Å | ||
| 832 | Y | 75.9 | Confident | 77.9 | Confident | 23 Ų | 23 | 60.6 Ų | 60.6 | 9% | 0.09 | 31% | 0.313 | C | S | . | . | trans | -133.9 | 166.6 | 178.5 | 50.9 | -90.5 | 0 | 0 | 0 | 110.4 | A12 I54 Q55 A830 M834 Q837 | A12-Y832 WeakPolarHBondContact O-CE1 3.46Å; I54-Y832 PolarHBondContact O-OH 3.08Å; Q55-Y832 PolarHBondContact NE2-O 2.99Å; Q55-Y832 VanDerWaalsContact NE2-O 3.15Å; A830-Y832 VanDerWaalsContact O-CD1 3.32Å; A830-Y832 WeakPolarHBondContact O-CD1 3.27Å; Y832-M834 HydrophobicContact CD2-SD 4.43Å; Y832-M834 HydrophobicContact CE2-SD 3.75Å; Y832-Q837 HydrophobicContact CD2-CB 4.02Å; Y832-Q837 HydrophobicContact CE2-CB 3.82Å; Y832-Q837 HydrophobicContact CE2-CG 4.32Å; Y832-Q837 PolarHBondContact OH-NE2 3.47Å; Y832-Q837 PolarHBondContact OH-OE1 3.02Å | ||
| 833 | R | 78.6 | Confident | 77.7 | Confident | 125 Ų | 125 | 60.8 Ų | 60.8 | 47% | 0.472 | 31% | 0.314 | S | S | . | . | trans | -82.3 | 138 | 167.9 | -60.2 | 172.3 | 50.1 | 135.2 | -1.3 | 109.7 | S102 D835 E836 | S102-R833 WeakPolarHBondContact O-CG 3.37Å; R833-D835 WeakPolarHBondContact CB-OD1 3.41Å; R833-D835 IonicContact CZ-OD1 3.35Å; R833-D835 IonicContact CZ-OD2 2.62Å; R833-D835 IonicContact NE-OD1 2.75Å; R833-D835 PolarHBondContact NE-OD1 2.99Å; R833-D835 VanDerWaalsContact NE-OD1 3.12Å; R833-D835 IonicContact NE-OD2 3.92Å; R833-D835 PolarHBondContact NE-OD2 2.88Å; R833-D835 IonicContact NH2-OD1 3.9Å; R833-D835 IonicContact NH2-OD2 2.83Å; R833-D835 PolarHBondContact NH2-OD2 2.97Å; R833-D835 PolarHBondContact O-N 3.06Å; R833-D835 VanDerWaalsContact O-N 3.12Å; R833-E836 HydrophobicContact CB-CG 4.29Å; R833-E836 WeakPolarHBondContact O-CB 3.06Å; R833-E836 PolarHBondContact O-N 3.21Å | ||
| 834 | M | 77.8 | Confident | 77.6 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 11% | 0.113 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -62.4 | -21.5 | -173.7 | -71 | -56.2 | -52.1 | 0 | 0 | 114.3 | I54 Q55 V101 Y832 E836 L839 L848 | I54-M834 HydrophobicContact CG2-CE 3.29Å; I54-M834 HydrophobicContact CG2-SD 3.81Å; Q55-M834 HydrophobicContact CB-SD 4.09Å; Q55-M834 HydrophobicContact CG-SD 4.21Å; Q55-M834 PolarHBondContact OE1-SD 3.5Å; V101-M834 HydrophobicContact CG1-CB 4.27Å; V101-M834 WeakPolarHBondContact O-CG 3.31Å; V101-M834 PolarHBondContact O-N 3.06Å; Y832-M834 HydrophobicContact CD2-SD 4.43Å; Y832-M834 HydrophobicContact CE2-SD 3.75Å; M834-E836 VanDerWaalsContact C-N 3.26Å; M834-E836 PolarHBondContact O-N 3.42Å; M834-L839 HydrophobicContact CE-CD1 4.46Å; M834-L839 HydrophobicContact CE-CD2 4.07Å; M834-L839 HydrophobicContact CE-CG 4.47Å; M834-L848 HydrophobicContact CG-CD2 4.25Å |
| 835 | D | 69.5 | Low | 77.6 | Confident | 110 Ų | 110 | 55.9 Ų | 55.9 | 59% | 0.588 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -72.1 | -16.3 | 174.2 | 53.4 | -15 | 0 | 0 | 0 | 113.7 | R833 | R833-D835 WeakPolarHBondContact CB-OD1 3.41Å; R833-D835 IonicContact CZ-OD1 3.35Å; R833-D835 IonicContact CZ-OD2 2.62Å; R833-D835 IonicContact NE-OD1 2.75Å; R833-D835 PolarHBondContact NE-OD1 2.99Å; R833-D835 VanDerWaalsContact NE-OD1 3.12Å; R833-D835 IonicContact NE-OD2 3.92Å; R833-D835 PolarHBondContact NE-OD2 2.88Å; R833-D835 IonicContact NH2-OD1 3.9Å; R833-D835 IonicContact NH2-OD2 2.83Å; R833-D835 PolarHBondContact NH2-OD2 2.97Å; R833-D835 PolarHBondContact O-N 3.06Å; R833-D835 VanDerWaalsContact O-N 3.12Å |
| 836 | E | 69.1 | Low | 77.6 | Confident | 137 Ų | 137 | 54.2 Ų | 54.2 | 64% | 0.64 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -89.3 | -7.7 | -179 | -62.4 | 174.6 | 171.2 | 0 | 0 | 113.2 | R833 M834 | R833-E836 HydrophobicContact CB-CG 4.29Å; R833-E836 WeakPolarHBondContact O-CB 3.06Å; R833-E836 PolarHBondContact O-N 3.21Å; M834-E836 VanDerWaalsContact C-N 3.26Å; M834-E836 PolarHBondContact O-N 3.42Å |
| 837 | Q | 68.4 | Low | 77.6 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | trans | -124.3 | 128.4 | -174.2 | -170.2 | -170.1 | 35.3 | 0 | 0 | 113 | A11 Y832 L839 | A11-Q837 HydrophobicContact CB-CB 4.46Å; A11-Q837 HydrophobicContact CB-CG 3.74Å; Y832-Q837 HydrophobicContact CD2-CB 4.02Å; Y832-Q837 HydrophobicContact CE2-CB 3.82Å; Y832-Q837 HydrophobicContact CE2-CG 4.32Å; Y832-Q837 PolarHBondContact OH-NE2 3.47Å; Y832-Q837 PolarHBondContact OH-OE1 3.02Å; Q837-L839 PolarHBondContact O-N 2.77Å | ||
| 838 | D | 66.8 | Low | 77.8 | Confident | 104 Ų | 104 | 52.9 Ų | 52.9 | 56% | 0.556 | 27% | 0.268 | S | S | * | . | trans | -79.4 | 117.9 | 165 | -58.6 | -36.2 | 0 | 0 | 0 | 109 | K9 | K9-D838 WeakPolarHBondContact CD-OD2 3.46Å; K9-D838 IonicContact NZ-OD1 2.71Å; K9-D838 IonicContact NZ-OD2 3.76Å; K9-D838 PolarHBondContact NZ-OD2 3.31Å | ||
| 839 | L | 73.6 | Confident | 78.3 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 27% | 0.272 | 23% | 0.232 | S | C | . | . | trans | -68 | 151.5 | 172.3 | -65.5 | 174.8 | 0 | 0 | 0 | 110.2 | I54 M834 Q837 V843 | I54-L839 HydrophobicContact CG2-CD2 4.25Å; M834-L839 HydrophobicContact CE-CD1 4.46Å; M834-L839 HydrophobicContact CE-CD2 4.07Å; M834-L839 HydrophobicContact CE-CG 4.47Å; Q837-L839 PolarHBondContact O-N 2.77Å; L839-V843 HydrophobicContact CD1-CB 4.23Å; L839-V843 HydrophobicContact CD1-CG2 3.93Å | ||
| 840 | T | 72.9 | Confident | 78.9 | Confident | 54 Ų | 54 | 47.4 Ų | 47.4 | 33% | 0.331 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -73.6 | -45 | 179.2 | 45 | 0 | 0 | 0 | 0 | 112.9 | Q52 S507 | Q52-T840 PolarHBondContact OE1-OG1 3.32Å; Q52-T840 VanDerWaalsContact OE1-OG1 3.06Å; S507-T840 VanDerWaalsContact CA-CG2 3.4Å |
| 841 | D | 78.8 | Confident | 79.5 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -116.1 | 137.2 | 174.4 | -63.9 | -55.2 | 0 | 0 | 0 | 108.2 | T50 Q52 V843 | T50-D841 HydrophobicContact CG2-CB 3.71Å; Q52-D841 PolarHBondContact NE2-O 2.95Å; D841-V843 PolarHBondContact O-N 2.84Å |
| 842 | P | 81.1 | Confident | 80 | Confident | 72 Ų | 72 | 52.6 Ų | 52.6 | 47% | 0.468 | 27% | 0.265 | S | S | . | . | trans | -65.1 | 127.8 | 179.8 | 28.7 | -34.9 | 0 | 0 | 0 | 109.6 | S895 | P842-S895 WeakPolarHBondContact O-CB 3.21Š| ||
| 843 | V | 86.3 | Confident | 80.6 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 26% | 0.261 | C | S | . | . | trans | -98.5 | 132.6 | -179.4 | 176.6 | 0 | 0 | 0 | 0 | 109.8 | D47 I54 L839 D841 C845 Q892 | D47-V843 HydrophobicContact CB-CG1 4Å; D47-V843 HydrophobicContact CB-CG2 4.03Å; I54-V843 HydrophobicContact CD1-CG1 4.3Å; I54-V843 HydrophobicContact CG1-CG2 4.37Å; L839-V843 HydrophobicContact CD1-CB 4.23Å; L839-V843 HydrophobicContact CD1-CG2 3.93Å; D841-V843 PolarHBondContact O-N 2.84Å; V843-C845 HydrophobicContact CG1-CB 4.2Å; V843-C845 PolarHBondContact O-N 3.02Å; V843-Q892 PolarHBondContact O-NE2 3.18Å; V843-Q892 PolarHBondContact O-OE1 2.76Å; V843-Q892 VanDerWaalsContact O-OE1 3.08Å | ||
| 844 | W | 89.2 | Confident | 81.1 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 5% | 0.053 | 24% | 0.239 | C | C | . | . | trans | -77.6 | 101.3 | 166.6 | 177.7 | -90.6 | 0 | 0 | 0 | 110 | P846 L857 L861 Q892 S895 L896 L921 F922 | W844-P846 HydrophobicContact CZ2-CG 3.86Å; W844-L857 HydrophobicContact CH2-CD1 4.46Å; W844-L857 HydrophobicContact CH2-CD2 3.96Å; W844-L857 HydrophobicContact CH2-CG 4.48Å; W844-L857 HydrophobicContact CZ3-CD2 4.22Å; W844-L861 HydrophobicContact CH2-CD1 4.1Å; W844-Q892 HydrophobicContact CE3-CB 4.22Å; W844-Q892 HydrophobicContact CZ3-CB 4.04Å; W844-Q892 WeakPolarHBondContact CZ3-O 3.26Å; W844-S895 WeakPolarHBondContact CA-OG 3.43Å; W844-S895 WeakPolarHBondContact CB-OG 3.4Å; W844-S895 PolarHBondContact N-OG 3.08Å; W844-L896 HydrophobicContact CD2-CD2 3.47Å; W844-L896 VanDerWaalsContact CD2-CD2 3.47Å; W844-L896 HydrophobicContact CD2-CG 4.12Å; W844-L896 HydrophobicContact CE3-CD1 4.24Å; W844-L896 HydrophobicContact CE3-CD2 3.42Å; W844-L896 VanDerWaalsContact CE3-CD2 3.42Å; W844-L896 HydrophobicContact CE3-CG 3.52Å; W844-L896 HydrophobicContact CG-CD2 4.14Å; W844-L896 HydrophobicContact CH2-CD1 3.97Å; W844-L896 HydrophobicContact CH2-CD2 3.94Å; W844-L896 HydrophobicContact CH2-CG 4.11Å; W844-L896 HydrophobicContact CZ2-CD2 4Å; W844-L896 HydrophobicContact CZ3-CD1 3.69Å; W844-L896 HydrophobicContact CZ3-CD2 3.66Å; W844-L896 HydrophobicContact CZ3-CG 3.5Å; W844-L896 VanDerWaalsContact CZ3-CG 3.5Å; W844-L921 HydrophobicContact CZ2-CB 4.01Å; W844-L921 PolarHBondContact NE1-O 3.2Å; W844-F922 HydrophobicContact CZ2-CD2 4.49Å; W844-F922 HydrophobicContact CZ2-CE2 4.27Å | ||
| 845 | C | 87.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -154.2 | 97.2 | 169.8 | -171.8 | 0 | 0 | 0 | 0 | 109.3 | V843 S847 L848 | V843-C845 HydrophobicContact CG1-CB 4.2Å; V843-C845 PolarHBondContact O-N 3.02Å; C845-S847 PolarHBondContact O-N 2.92Å; C845-S847 VanDerWaalsContact O-N 3.13Å; C845-L848 HydrophobicContact CB-CD1 3.75Å; C845-L848 HydrophobicContact CB-CG 3.91Å; C845-L848 WeakPolarHBondContact O-CB 3.43Å; C845-L848 PolarHBondContact O-N 2.85Å | ||
| 846 | P | 86.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -57.5 | -28.3 | -178.6 | -27.9 | 36.5 | 0 | 0 | 0 | 114 | W844 L848 L849 F922 | W844-P846 HydrophobicContact CZ2-CG 3.86Å; P846-L848 PolarHBondContact O-N 2.97Å; P846-L849 WeakPolarHBondContact O-CB 3.25Å; P846-L849 PolarHBondContact O-N 3.22Å; P846-L849 VanDerWaalsContact O-N 3.08Å; P846-F922 HydrophobicContact CB-CD1 3.57Å; P846-F922 HydrophobicContact CB-CE1 3.34Å; P846-F922 HydrophobicContact CB-CE2 4.45Å; P846-F922 HydrophobicContact CB-CG 4.25Å; P846-F922 HydrophobicContact CB-CZ 3.82Å; P846-F922 HydrophobicContact CG-CD1 3.82Å; P846-F922 HydrophobicContact CG-CD2 4.07Å; P846-F922 HydrophobicContact CG-CE1 3.78Å; P846-F922 HydrophobicContact CG-CE2 4.02Å; P846-F922 HydrophobicContact CG-CG 3.97Å; P846-F922 HydrophobicContact CG-CZ 3.87Å |
| 847 | S | 86.5 | Confident | 83.8 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -70.9 | -9.8 | 178 | -44.3 | 0 | 0 | 0 | 0 | 114.4 | L84 C845 | L84-S847 VanDerWaalsContact CD2-CB 3.42Å; C845-S847 PolarHBondContact O-N 2.92Å; C845-S847 VanDerWaalsContact O-N 3.13Å |
| 848 | L | 86.3 | Confident | 84.9 | Confident | 30 Ų | 30 | 32.9 Ų | 32.9 | 16% | 0.157 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -82.2 | -17.6 | 169.8 | -67.2 | 174.3 | 0 | 0 | 0 | 112.5 | L84 V101 M834 C845 P846 | L84-L848 HydrophobicContact CD1-CD2 3.49Å; L84-L848 VanDerWaalsContact CD1-CD2 3.49Å; L84-L848 HydrophobicContact CD1-CG 4.04Å; V101-L848 HydrophobicContact CG2-CD2 4.43Å; M834-L848 HydrophobicContact CG-CD2 4.25Å; C845-L848 HydrophobicContact CB-CD1 3.75Å; C845-L848 HydrophobicContact CB-CG 3.91Å; C845-L848 WeakPolarHBondContact O-CB 3.43Å; C845-L848 PolarHBondContact O-N 2.85Å; P846-L848 PolarHBondContact O-N 2.97Å |
| 849 | L | 86.3 | Confident | 86.1 | Confident | 16 Ų | 16 | 28.2 Ų | 28.2 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -76.3 | 157.5 | 178.8 | -65.5 | 179.6 | 0 | 0 | 0 | 111.4 | P846 A853 A854 L857 L888 Q892 | P846-L849 WeakPolarHBondContact O-CB 3.25Å; P846-L849 PolarHBondContact O-N 3.22Å; P846-L849 VanDerWaalsContact O-N 3.08Å; L849-A853 HydrophobicContact CB-CB 4.25Å; L849-A853 HydrophobicContact CD1-CB 4.45Å; L849-A854 HydrophobicContact CB-CB 4.16Å; L849-L857 HydrophobicContact CD1-CB 4.48Å; L849-L857 HydrophobicContact CD1-CD2 3.86Å; L849-L888 HydrophobicContact CD2-CB 4.08Å; L849-Q892 HydrophobicContact CD1-CG 3.97Å; L849-Q892 HydrophobicContact CD2-CG 3.9Å; L849-Q892 HydrophobicContact CG-CG 4.09Å |
| 850 | L | 85 | Confident | 87 | Confident | 106 Ų | 106 | 25.8 Ų | 25.8 | 56% | 0.555 | 14% | 0.139 | S | C | * | . | trans | -55.2 | 141.7 | 165.5 | -68.4 | 167.5 | 0 | 0 | 0 | 109.9 | R852 A853 A854 | L850-R852 VanDerWaalsContact C-N 3.3Å; L850-R852 PolarHBondContact O-N 3.41Å; L850-R852 VanDerWaalsContact O-N 3.12Å; L850-A853 HydrophobicContact CB-CB 4.31Å; L850-A853 WeakPolarHBondContact O-CA 3.31Å; L850-A853 WeakPolarHBondContact O-CB 3.35Å; L850-A853 PolarHBondContact O-N 2.89Å; L850-A854 PolarHBondContact O-N 3.27Å | ||
| 851 | P | 85.7 | Confident | 87.9 | Confident | 47 Ų | 47 | 23.2 Ų | 23.2 | 31% | 0.305 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -52.6 | -43 | -172.1 | -32.9 | 37.5 | 0 | 0 | 0 | 115.3 | P81 A853 A854 L855 | P81-P851 HydrophobicContact CB-CB 3.41Å; P81-P851 VanDerWaalsContact CB-CB 3.41Å; P81-P851 HydrophobicContact CB-CG 3.47Å; P81-P851 VanDerWaalsContact CB-CG 3.47Å; P81-P851 HydrophobicContact CG-CG 4.36Å; P851-A853 VanDerWaalsContact C-N 3.33Å; P851-A853 PolarHBondContact O-N 2.75Å; P851-A854 PolarHBondContact O-N 3.17Å; P851-L855 WeakPolarHBondContact O-CG 3.48Å; P851-L855 PolarHBondContact O-N 3.45Å |
| 852 | R | 86.9 | Confident | 88.5 | Confident | 93 Ų | 93 | 20.1 Ų | 20.1 | 35% | 0.351 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -64.8 | -37.9 | 177.4 | -171.5 | 174.4 | 177.5 | 172.9 | -6.9 | 112 | L850 T856 E881 S1195 L1196 | L850-R852 VanDerWaalsContact C-N 3.3Å; L850-R852 PolarHBondContact O-N 3.41Å; L850-R852 VanDerWaalsContact O-N 3.12Å; R852-T856 WeakPolarHBondContact O-CB 3.22Å; R852-T856 PolarHBondContact O-N 2.77Å; R852-T856 PolarHBondContact O-OG1 2.67Å; R852-E881 IonicContact CZ-OE1 3.81Å; R852-E881 IonicContact NE-OE1 3.01Å; R852-E881 PolarHBondContact NE-OE1 3.3Å; R852-E881 VanDerWaalsContact NE-OE1 3.11Å; R852-E881 IonicContact NH1-OE1 2.69Å; R852-E881 PolarHBondContact NH1-OE1 2.76Å; R852-E881 VanDerWaalsContact NH1-OE1 3.12Å; R852-E881 IonicContact NH2-OE1 3.84Å; R852-E881 PolarHBondContact NH2-OE1 2.87Å; R852-E881 VanDerWaalsContact NH2-OE1 3.16Å; R852-S1195 VanDerWaalsContact CZ-O 3.26Å; R852-S1195 PolarHBondContact NH2-O 3.06Å; R852-L1196 HydrophobicContact CG-CD2 4.01Å; R852-L1196 PolarHBondContact NE-O 3.03Å; R852-L1196 VanDerWaalsContact NE-O 3.13Å; R852-L1196 PolarHBondContact NH2-O 2.84Å |
| 853 | A | 89.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 17.4 Ų | 17.4 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -69.4 | -40.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L849 L850 P851 T856 L857 I885 I889 | L849-A853 HydrophobicContact CB-CB 4.25Å; L849-A853 HydrophobicContact CD1-CB 4.45Å; L850-A853 HydrophobicContact CB-CB 4.31Å; L850-A853 WeakPolarHBondContact O-CA 3.31Å; L850-A853 WeakPolarHBondContact O-CB 3.35Å; L850-A853 PolarHBondContact O-N 2.89Å; P851-A853 VanDerWaalsContact C-N 3.33Å; P851-A853 PolarHBondContact O-N 2.75Å; A853-T856 PolarHBondContact O-N 2.84Å; A853-L857 WeakPolarHBondContact O-CB 3.39Å; A853-L857 PolarHBondContact O-N 2.78Å; A853-I885 HydrophobicContact CB-CG2 3.81Å; A853-I889 HydrophobicContact CB-CD1 4.15Å; A853-I889 HydrophobicContact CB-CG1 4.11Å |
| 854 | A | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y82 L849 L850 P851 T856 L857 K858 | Y82-A854 HydrophobicContact CD2-CB 3.66Å; Y82-A854 HydrophobicContact CE2-CB 4.27Å; Y82-A854 HydrophobicContact CG-CB 4.43Å; L849-A854 HydrophobicContact CB-CB 4.16Å; L850-A854 PolarHBondContact O-N 3.27Å; P851-A854 PolarHBondContact O-N 3.17Å; A854-T856 VanDerWaalsContact C-N 3.34Å; A854-T856 PolarHBondContact O-N 2.67Å; A854-L857 PolarHBondContact O-N 2.86Å; A854-K858 PolarHBondContact O-N 3.31Å |
| 855 | L | 89.8 | Confident | 88.7 | Confident | 15 Ų | 15 | 19.9 Ų | 19.9 | 8% | 0.079 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.8 | -38.4 | 176 | -67.4 | 172.4 | 0 | 0 | 0 | 112 | H76 L78 Y82 P851 K858 A859 L1196 | H76-L855 HydrophobicContact CB-CD2 4.3Å; L78-L855 HydrophobicContact CD2-CD1 3.89Å; L78-L855 HydrophobicContact CG-CD1 4.14Å; Y82-L855 HydrophobicContact CE2-CD2 4.04Å; P851-L855 WeakPolarHBondContact O-CG 3.48Å; P851-L855 PolarHBondContact O-N 3.45Å; L855-K858 PolarHBondContact O-N 2.81Å; L855-A859 WeakPolarHBondContact O-CB 3.42Å; L855-A859 PolarHBondContact O-N 3.49Å; L855-L1196 HydrophobicContact CB-CD1 4.34Å; L855-L1196 HydrophobicContact CB-CD2 3.98Å; L855-L1196 HydrophobicContact CD1-CD2 4.44Å |
| 856 | T | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.8 | -44.5 | 174.9 | -56.7 | 0 | 0 | 0 | 0 | 111 | R852 A853 A854 K858 A859 F860 I874 Y879 I889 L1198 | R852-T856 WeakPolarHBondContact O-CB 3.22Å; R852-T856 PolarHBondContact O-N 2.77Å; R852-T856 PolarHBondContact O-OG1 2.67Å; A853-T856 PolarHBondContact O-N 2.84Å; A854-T856 VanDerWaalsContact C-N 3.34Å; A854-T856 PolarHBondContact O-N 2.67Å; T856-K858 VanDerWaalsContact C-N 3.31Å; T856-K858 PolarHBondContact O-N 3.47Å; T856-A859 PolarHBondContact O-N 3.32Å; T856-F860 VanDerWaalsContact O-CB 3.27Å; T856-F860 WeakPolarHBondContact O-CB 3.27Å; T856-F860 PolarHBondContact O-N 3.46Å; T856-I874 HydrophobicContact CG2-CD1 4.37Å; T856-Y879 HydrophobicContact CG2-CD2 4.21Å; T856-Y879 HydrophobicContact CG2-CE1 4.21Å; T856-Y879 HydrophobicContact CG2-CE2 3.6Å; T856-Y879 PolarHBondContact OG1-OH 3.31Å; T856-I889 HydrophobicContact CG2-CD1 4.15Å; T856-L1198 HydrophobicContact CG2-CD1 4.1Å; T856-L1198 HydrophobicContact CG2-CD2 4.02Å; T856-L1198 HydrophobicContact CG2-CG 4.13Å |
| 857 | L | 92.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.6 | 172.8 | 61.3 | 0 | 0 | 0 | 111.1 | W844 L849 A853 A854 F860 L861 I889 Q892 L893 F922 | W844-L857 HydrophobicContact CH2-CD1 4.46Å; W844-L857 HydrophobicContact CH2-CD2 3.96Å; W844-L857 HydrophobicContact CH2-CG 4.48Å; W844-L857 HydrophobicContact CZ3-CD2 4.22Å; L849-L857 HydrophobicContact CD1-CB 4.48Å; L849-L857 HydrophobicContact CD1-CD2 3.86Å; A853-L857 WeakPolarHBondContact O-CB 3.39Å; A853-L857 PolarHBondContact O-N 2.78Å; A854-L857 PolarHBondContact O-N 2.86Å; L857-F860 PolarHBondContact O-N 2.78Å; L857-L861 HydrophobicContact CD1-CD1 4.24Å; L857-L861 HydrophobicContact CD1-CG 4.29Å; L857-L861 WeakPolarHBondContact O-CG 3.43Å; L857-L861 PolarHBondContact O-N 3.33Å; L857-I889 HydrophobicContact CB-CG2 4.13Å; L857-I889 HydrophobicContact CD1-CG2 3.88Å; L857-Q892 HydrophobicContact CD2-CB 4.03Å; L857-Q892 HydrophobicContact CD2-CG 4.49Å; L857-L893 HydrophobicContact CD1-CD2 3.6Å; L857-L893 HydrophobicContact CD1-CG 3.9Å; L857-F922 HydrophobicContact CB-CZ 4.4Å; L857-F922 HydrophobicContact CD2-CZ 4.16Å; L857-F922 HydrophobicContact CG-CZ 4.01Å |
| 858 | K | 91.9 | Very high | 87.9 | Confident | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.022 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 175.2 | -173.5 | 169.7 | 178.4 | 170.3 | 0 | 111.4 | Y82 A854 L855 T856 F860 L861 L862 V918 F922 D924 D927 | Y82-K858 WeakPolarHBondContact OH-CD 3.34Å; Y82-K858 PolarHBondContact OH-NZ 2.84Å; A854-K858 PolarHBondContact O-N 3.31Å; L855-K858 PolarHBondContact O-N 2.81Å; T856-K858 VanDerWaalsContact C-N 3.31Å; T856-K858 PolarHBondContact O-N 3.47Å; K858-F860 VanDerWaalsContact C-N 3.34Å; K858-F860 PolarHBondContact O-N 2.93Å; K858-L861 PolarHBondContact O-N 2.94Å; K858-L862 HydrophobicContact CG-CD1 3.88Å; K858-L862 VanDerWaalsContact O-CG 3.28Å; K858-L862 WeakPolarHBondContact O-CG 3.46Å; K858-L862 PolarHBondContact O-N 3.34Å; K858-L862 VanDerWaalsContact O-N 3.08Å; K858-V918 HydrophobicContact CG-CG1 4.21Å; K858-F922 HydrophobicContact CB-CE1 3.85Å; K858-F922 HydrophobicContact CB-CE2 4.25Å; K858-F922 HydrophobicContact CB-CZ 3.63Å; K858-F922 HydrophobicContact CD-CD1 4.49Å; K858-F922 HydrophobicContact CD-CE1 4.43Å; K858-F922 HydrophobicContact CG-CE1 4.45Å; K858-F922 HydrophobicContact CG-CZ 4.34Å; K858-D924 IonicContact NZ-OD2 2.75Å; K858-D924 PolarHBondContact NZ-OD2 2.95Å; K858-D927 IonicContact NZ-OD2 3.16Å; K858-D927 PolarHBondContact NZ-OD2 2.83Å |
| 859 | A | 90.7 | Very high | 87.8 | Confident | 6 Ų | 6 | 30.4 Ų | 30.4 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.7 | -42.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L855 T856 L861 L862 L863 L1193 L1198 | L855-A859 WeakPolarHBondContact O-CB 3.42Å; L855-A859 PolarHBondContact O-N 3.49Å; T856-A859 PolarHBondContact O-N 3.32Å; A859-L861 VanDerWaalsContact C-N 3.34Å; A859-L861 PolarHBondContact O-N 2.78Å; A859-L862 PolarHBondContact O-N 2.85Å; A859-L863 HydrophobicContact CB-CD1 4.33Å; A859-L863 VanDerWaalsContact O-CB 3.29Å; A859-L863 WeakPolarHBondContact O-CB 3.09Å; A859-L863 VanDerWaalsContact O-CG 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.38Å; A859-L1193 HydrophobicContact CB-CD2 3.94Å; A859-L1198 HydrophobicContact CB-CD1 3.72Å |
| 860 | F | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.9 | -44.7 | 176.8 | 174.5 | -96.6 | 0 | 0 | 0 | 112.6 | T856 L857 K858 Q864 W866 T871 I874 V877 L893 | T856-F860 VanDerWaalsContact O-CB 3.27Å; T856-F860 WeakPolarHBondContact O-CB 3.27Å; T856-F860 PolarHBondContact O-N 3.46Å; L857-F860 PolarHBondContact O-N 2.78Å; K858-F860 VanDerWaalsContact C-N 3.34Å; K858-F860 PolarHBondContact O-N 2.93Å; F860-Q864 PolarHBondContact O-NE2 3.11Å; F860-W866 AromaticContact CD2-CE2 3.98Å; F860-W866 HydrophobicContact CD2-CZ2 4.32Å; F860-W866 AromaticContact CD2-NE1 3.53Å; F860-W866 AromaticContact CE2-CD1 3.94Å; F860-W866 AromaticContact CE2-NE1 3.75Å; F860-W866 PolarHBondContact O-NE1 3.4Å; F860-W866 VanDerWaalsContact O-NE1 3.1Å; F860-T871 WeakPolarHBondContact CZ-O 3.45Å; F860-I874 HydrophobicContact CD2-CG1 4.34Å; F860-I874 HydrophobicContact CE2-CB 4.43Å; F860-V877 HydrophobicContact CD2-CG2 4.24Å; F860-V877 HydrophobicContact CE2-CG2 3.76Å; F860-L893 HydrophobicContact CD1-CD1 4.02Å; F860-L893 HydrophobicContact CD1-CD2 4.2Å; F860-L893 HydrophobicContact CE1-CD1 3.6Å; F860-L893 HydrophobicContact CE1-CD2 4.03Å; F860-L893 HydrophobicContact CE1-CG 4.5Å; F860-L893 HydrophobicContact CZ-CD1 4.28Å |
| 861 | L | 92 | Very high | 87.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -35.8 | 178.5 | -68.7 | 176.4 | 0 | 0 | 0 | 112.5 | W844 L857 K858 A859 M872 L893 L904 R914 V918 F922 | W844-L861 HydrophobicContact CH2-CD1 4.1Å; L857-L861 HydrophobicContact CD1-CD1 4.24Å; L857-L861 HydrophobicContact CD1-CG 4.29Å; L857-L861 WeakPolarHBondContact O-CG 3.43Å; L857-L861 PolarHBondContact O-N 3.33Å; K858-L861 PolarHBondContact O-N 2.94Å; A859-L861 VanDerWaalsContact C-N 3.34Å; A859-L861 PolarHBondContact O-N 2.78Å; L861-M872 HydrophobicContact CD2-CE 3.87Å; L861-M872 HydrophobicContact CD2-SD 4.27Å; L861-L893 HydrophobicContact CD2-CD2 3.8Å; L861-L893 HydrophobicContact CG-CD2 4.5Å; L861-L904 HydrophobicContact CD2-CD1 4.23Å; L861-R914 VanDerWaalsContact O-CD 3.3Å; L861-R914 WeakPolarHBondContact O-CD 3.29Å; L861-V918 HydrophobicContact CB-CG1 4.4Å; L861-V918 HydrophobicContact CB-CG2 3.77Å; L861-V918 HydrophobicContact CD1-CG2 4.45Å; L861-F922 HydrophobicContact CD1-CE2 4.14Å |
| 862 | L | 91.3 | Very high | 88.1 | Confident | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.8 | -39.7 | -177.9 | -69 | 170.2 | 0 | 0 | 0 | 112.9 | K858 A859 Q864 R914 C915 V918 L1161 | K858-L862 HydrophobicContact CG-CD1 3.88Å; K858-L862 VanDerWaalsContact O-CG 3.28Å; K858-L862 WeakPolarHBondContact O-CG 3.46Å; K858-L862 PolarHBondContact O-N 3.34Å; K858-L862 VanDerWaalsContact O-N 3.08Å; A859-L862 PolarHBondContact O-N 2.85Å; L862-Q864 VanDerWaalsContact C-N 3.27Å; L862-Q864 PolarHBondContact O-N 3.22Å; L862-R914 WeakPolarHBondContact O-CD 3.24Å; L862-C915 HydrophobicContact CD2-CB 4.4Å; L862-V918 HydrophobicContact CD2-CB 3.9Å; L862-V918 HydrophobicContact CD2-CG1 4.11Å; L862-V918 HydrophobicContact CD2-CG2 3.99Å; L862-V918 HydrophobicContact CG-CB 4.48Å; L862-V918 HydrophobicContact CG-CG1 4.19Å; L862-V918 HydrophobicContact CG-CG2 4.47Å; L862-L1161 HydrophobicContact CB-CD1 4.4Å; L862-L1161 HydrophobicContact CD1-CD1 3.86Å |
| 863 | L | 88.1 | Confident | 88 | Confident | 14 Ų | 14 | 24.3 Ų | 24.3 | 7% | 0.073 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 9.6 | -170.6 | -68.7 | 175 | 0 | 0 | 0 | 115.8 | A859 W866 Y1189 L1193 W1205 | A859-L863 HydrophobicContact CB-CD1 4.33Å; A859-L863 VanDerWaalsContact O-CB 3.29Å; A859-L863 WeakPolarHBondContact O-CB 3.09Å; A859-L863 VanDerWaalsContact O-CG 3.22Å; A859-L863 WeakPolarHBondContact O-CG 3.49Å; A859-L863 PolarHBondContact O-N 3.38Å; L863-W866 HydrophobicContact CB-CH2 4.1Å; L863-W866 HydrophobicContact CB-CZ2 3.54Å; L863-W866 HydrophobicContact CD1-CH2 3.69Å; L863-W866 HydrophobicContact CD1-CZ2 3.82Å; L863-W866 HydrophobicContact CG-CZ2 4.31Å; L863-Y1189 HydrophobicContact CD2-CE1 4.07Å; L863-L1193 HydrophobicContact CD1-CD1 3.75Å; L863-L1193 HydrophobicContact CD1-CD2 3.66Å; L863-L1193 HydrophobicContact CD1-CG 4.37Å; L863-L1193 HydrophobicContact CD2-CD1 4.49Å; L863-W1205 HydrophobicContact CD2-CZ2 4.33Å |
| 864 | Q | 86.5 | Confident | 87.9 | Confident | 14 Ų | 14 | 24.2 Ų | 24.2 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -61.6 | 146.4 | 177.9 | -65 | -74.9 | -25.3 | 0 | 0 | 111.9 | F860 L862 F870 T871 R914 | F860-Q864 PolarHBondContact O-NE2 3.11Å; L862-Q864 VanDerWaalsContact C-N 3.27Å; L862-Q864 PolarHBondContact O-N 3.22Å; Q864-F870 HydrophobicContact CB-CD1 3.85Å; Q864-F870 HydrophobicContact CB-CE1 3.82Å; Q864-T871 PolarHBondContact NE2-O 3.06Å; Q864-T871 VanDerWaalsContact OE1-N 3.09Å; Q864-T871 PolarHBondContact OE1-O 3.48Å; Q864-R914 PolarHBondContact O-NH1 3.38Å |
| 865 | P | 86.4 | Confident | 87.6 | Confident | 55 Ų | 55 | 28.5 Ų | 28.5 | 36% | 0.357 | 18% | 0.181 | S | C | . | . | S | Bend | cis | -81.7 | 147.5 | -3.5 | 32.6 | -33.5 | 0 | 0 | 0 | 112.8 | T869 F870 | P865-T869 CarbonylContact C-O 3.48Å; P865-T869 WeakPolarHBondContact CA-O 3.43Å; P865-T869 VanDerWaalsContact CB-C 3.5Å; P865-T869 VanDerWaalsContact CB-O 3.28Å; P865-T869 WeakPolarHBondContact CB-O 3.4Å; P865-F870 HydrophobicContact CB-CD1 4.08Å; P865-F870 HydrophobicContact CB-CD2 4.17Å; P865-F870 HydrophobicContact CB-CE1 3.93Å; P865-F870 HydrophobicContact CB-CE2 4.08Å; P865-F870 HydrophobicContact CB-CG 4.17Å; P865-F870 HydrophobicContact CB-CZ 3.97Å; P865-F870 HydrophobicContact CG-CE1 4.35Å; P865-F870 HydrophobicContact CG-CE2 4.31Å; P865-F870 HydrophobicContact CG-CZ 4.04Å |
| 866 | W | 84 | Confident | 87.2 | Confident | 10 Ų | 10 | 33.4 Ų | 33.4 | 4% | 0.038 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -87.2 | 127.8 | 172.8 | -67.6 | 91.3 | 0 | 0 | 0 | 110 | F860 L863 G868 T869 V877 L1198 E1200 | F860-W866 AromaticContact CD2-CE2 3.98Å; F860-W866 HydrophobicContact CD2-CZ2 4.32Å; F860-W866 AromaticContact CD2-NE1 3.53Å; F860-W866 AromaticContact CE2-CD1 3.94Å; F860-W866 AromaticContact CE2-NE1 3.75Å; F860-W866 PolarHBondContact O-NE1 3.4Å; F860-W866 VanDerWaalsContact O-NE1 3.1Å; L863-W866 HydrophobicContact CB-CH2 4.1Å; L863-W866 HydrophobicContact CB-CZ2 3.54Å; L863-W866 HydrophobicContact CD1-CH2 3.69Å; L863-W866 HydrophobicContact CD1-CZ2 3.82Å; L863-W866 HydrophobicContact CG-CZ2 4.31Å; W866-G868 PolarHBondContact O-N 3.15Å; W866-T869 PolarHBondContact N-O 2.87Å; W866-T869 PolarHBondContact O-N 2.76Å; W866-T869 PolarHBondContact O-OG1 2.79Å; W866-T869 VanDerWaalsContact O-OG1 3.07Å; W866-V877 HydrophobicContact CB-CG2 3.98Å; W866-V877 HydrophobicContact CD2-CG1 3.98Å; W866-V877 HydrophobicContact CD2-CG2 3.78Å; W866-V877 HydrophobicContact CE3-CB 4.49Å; W866-V877 HydrophobicContact CE3-CG1 3.51Å; W866-V877 HydrophobicContact CE3-CG2 4.12Å; W866-V877 HydrophobicContact CG-CG2 3.69Å; W866-V877 HydrophobicContact CH2-CG1 4.25Å; W866-V877 HydrophobicContact CZ3-CG1 3.65Å; W866-L1198 HydrophobicContact CH2-CB 4.35Å; W866-L1198 HydrophobicContact CH2-CD1 4.22Å; W866-L1198 HydrophobicContact CH2-CD2 4.06Å; W866-L1198 HydrophobicContact CH2-CG 4.45Å; W866-E1200 HydrophobicContact CE3-CB 4.02Å; W866-E1200 HydrophobicContact CZ3-CB 3.93Å |
| 867 | S | 80 | Confident | 86.8 | Confident | 100 Ų | 100 | 33.7 Ų | 33.7 | 70% | 0.699 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 33 | -177.2 | -69.3 | 0 | 0 | 0 | 0 | 114.1 | T869 E1200 | S867-T869 VanDerWaalsContact C-N 3.31Å; S867-T869 PolarHBondContact O-N 2.85Å; S867-E1200 PolarHBondContact OG-OE2 3.4Å |
| 868 | G | 80.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 36.5 Ų | 36.5 | 68% | 0.68 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 2.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | W866 | W866-G868 PolarHBondContact O-N 3.15Š|
| 869 | T | 83.8 | Confident | 85.7 | Confident | 80 Ų | 80 | 36.4 Ų | 36.4 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | B | Isolated β-bridge | trans | -119.3 | 141.5 | 179 | 60.9 | 0 | 0 | 0 | 0 | 112.5 | P865 W866 S867 T871 | P865-T869 CarbonylContact C-O 3.48Å; P865-T869 WeakPolarHBondContact CA-O 3.43Å; P865-T869 VanDerWaalsContact CB-C 3.5Å; P865-T869 VanDerWaalsContact CB-O 3.28Å; P865-T869 WeakPolarHBondContact CB-O 3.4Å; W866-T869 PolarHBondContact N-O 2.87Å; W866-T869 PolarHBondContact O-N 2.76Å; W866-T869 PolarHBondContact O-OG1 2.79Å; W866-T869 VanDerWaalsContact O-OG1 3.07Å; S867-T869 VanDerWaalsContact C-N 3.31Å; S867-T869 PolarHBondContact O-N 2.85Å; T869-T871 WeakPolarHBondContact OG1-CG2 3.41Å |
| 870 | F | 86.2 | Confident | 85 | Confident | 61 Ų | 61 | 41.3 Ų | 41.3 | 27% | 0.268 | 25% | 0.246 | S | C | . | . | trans | -83 | 114.4 | 173.9 | -74.5 | -76.7 | 0 | 0 | 0 | 110 | Q864 P865 Q905 | Q864-F870 HydrophobicContact CB-CD1 3.85Å; Q864-F870 HydrophobicContact CB-CE1 3.82Å; P865-F870 HydrophobicContact CB-CD1 4.08Å; P865-F870 HydrophobicContact CB-CD2 4.17Å; P865-F870 HydrophobicContact CB-CE1 3.93Å; P865-F870 HydrophobicContact CB-CE2 4.08Å; P865-F870 HydrophobicContact CB-CG 4.17Å; P865-F870 HydrophobicContact CB-CZ 3.97Å; P865-F870 HydrophobicContact CG-CE1 4.35Å; P865-F870 HydrophobicContact CG-CE2 4.31Å; P865-F870 HydrophobicContact CG-CZ 4.04Å; F870-Q905 HydrophobicContact CB-CB 4.32Å; F870-Q905 HydrophobicContact CB-CG 4.48Å | ||
| 871 | T | 88.2 | Confident | 84.5 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 26% | 0.256 | C | S | . | . | trans | -128.3 | 140.2 | -174.5 | 68 | 0 | 0 | 0 | 0 | 110.6 | F860 Q864 T869 | F860-T871 WeakPolarHBondContact CZ-O 3.45Å; Q864-T871 PolarHBondContact NE2-O 3.06Å; Q864-T871 VanDerWaalsContact OE1-N 3.09Å; Q864-T871 PolarHBondContact OE1-O 3.48Å; T869-T871 WeakPolarHBondContact OG1-CG2 3.41Å | ||
| 872 | M | 88.3 | Confident | 83.8 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -110 | 24.9 | 171.8 | -66.5 | -61.9 | -69.4 | 0 | 0 | 110.7 | L861 Q890 L893 L896 K901 L904 Q905 | L861-M872 HydrophobicContact CD2-CE 3.87Å; L861-M872 HydrophobicContact CD2-SD 4.27Å; M872-Q890 PolarHBondContact O-NE2 2.77Å; M872-Q890 VanDerWaalsContact O-NE2 3.12Å; M872-L893 HydrophobicContact CE-CD2 3.79Å; M872-L896 HydrophobicContact CE-CD1 3.9Å; M872-K901 HydrophobicContact CE-CG 4.24Å; M872-L904 HydrophobicContact CE-CD1 3.91Å; M872-L904 HydrophobicContact SD-CB 4.25Å; M872-L904 HydrophobicContact SD-CD1 4.48Å; M872-Q905 HydrophobicContact CG-CG 3.76Å |
| 873 | D | 86.8 | Confident | 83.4 | Confident | 44 Ų | 44 | 55.9 Ų | 55.9 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | trans | -126.5 | 109.9 | -176.3 | -176.9 | -4.2 | 0 | 0 | 0 | 108.7 | T875 Q876 Q890 | D873-T875 PolarHBondContact O-N 3.42Å; D873-T875 WeakPolarHBondContact OD1-CB 3.35Å; D873-T875 WeakPolarHBondContact OD1-CG2 3.17Å; D873-T875 PolarHBondContact OD1-N 3.08Å; D873-T875 PolarHBondContact OD1-OG1 3.32Å; D873-T875 PolarHBondContact OD2-OG1 3.16Å; D873-Q876 HydrophobicContact CB-CG 4.1Å; D873-Q876 PolarHBondContact O-N 2.97Å; D873-Q876 PolarHBondContact OD2-NE2 2.98Å; D873-Q890 PolarHBondContact OD1-OE1 3.37Å | ||
| 874 | I | 86.1 | Confident | 83 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -70.1 | -18.6 | -177.8 | -165.7 | 161.6 | 0 | 0 | 0 | 112.1 | T856 F860 Q876 V877 Y879 K886 I889 Q890 | T856-I874 HydrophobicContact CG2-CD1 4.37Å; F860-I874 HydrophobicContact CD2-CG1 4.34Å; F860-I874 HydrophobicContact CE2-CB 4.43Å; I874-Q876 PolarHBondContact O-N 2.82Å; I874-V877 PolarHBondContact O-N 2.79Å; I874-Y879 HydrophobicContact CD1-CD1 4.06Å; I874-Y879 HydrophobicContact CD1-CE1 4.29Å; I874-Y879 HydrophobicContact CG1-CD1 4.37Å; I874-K886 HydrophobicContact CG2-CB 4.4Å; I874-I889 HydrophobicContact CD1-CB 4.08Å; I874-I889 HydrophobicContact CD1-CD1 3.76Å; I874-I889 HydrophobicContact CD1-CG2 3.57Å; I874-I889 HydrophobicContact CG2-CG2 4.48Å; I874-Q890 HydrophobicContact CG2-CB 4.26Å |
| 875 | T | 83.4 | Confident | 82.9 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 55% | 0.546 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -70 | -18.3 | 179.3 | 69.1 | 0 | 0 | 0 | 0 | 112.8 | D873 V877 | D873-T875 PolarHBondContact O-N 3.42Å; D873-T875 WeakPolarHBondContact OD1-CB 3.35Å; D873-T875 WeakPolarHBondContact OD1-CG2 3.17Å; D873-T875 PolarHBondContact OD1-N 3.08Å; D873-T875 PolarHBondContact OD1-OG1 3.32Å; D873-T875 PolarHBondContact OD2-OG1 3.16Å; T875-V877 VanDerWaalsContact C-N 3.28Å |
| 876 | Q | 82.3 | Confident | 82.8 | Confident | 119 Ų | 119 | 62.7 Ų | 62.7 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -83.3 | -4.6 | 177.7 | -60.2 | 177.5 | 13.8 | 0 | 0 | 112.9 | D873 I874 | D873-Q876 HydrophobicContact CB-CG 4.1Å; D873-Q876 PolarHBondContact O-N 2.97Å; D873-Q876 PolarHBondContact OD2-NE2 2.98Å; I874-Q876 PolarHBondContact O-N 2.82Å |
| 877 | V | 82.2 | Confident | 82.9 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 4% | 0.036 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -107.8 | 139.6 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | F860 W866 I874 T875 Y879 L1198 | F860-V877 HydrophobicContact CD2-CG2 4.24Å; F860-V877 HydrophobicContact CE2-CG2 3.76Å; W866-V877 HydrophobicContact CB-CG2 3.98Å; W866-V877 HydrophobicContact CD2-CG1 3.98Å; W866-V877 HydrophobicContact CD2-CG2 3.78Å; W866-V877 HydrophobicContact CE3-CB 4.49Å; W866-V877 HydrophobicContact CE3-CG1 3.51Å; W866-V877 HydrophobicContact CE3-CG2 4.12Å; W866-V877 HydrophobicContact CG-CG2 3.69Å; W866-V877 HydrophobicContact CH2-CG1 4.25Å; W866-V877 HydrophobicContact CZ3-CG1 3.65Å; I874-V877 PolarHBondContact O-N 2.79Å; T875-V877 VanDerWaalsContact C-N 3.28Å; V877-Y879 VanDerWaalsContact C-N 3.31Å; V877-Y879 PolarHBondContact O-N 3.5Å; V877-L1198 HydrophobicContact CG1-CD2 4.35Å |
| 878 | D | 78.6 | Confident | 83.1 | Confident | 59 Ų | 59 | 62.4 Ų | 62.4 | 32% | 0.316 | 35% | 0.345 | S | S | . | . | trans | -67.8 | 86 | 172.4 | -169 | 19.1 | 0 | 0 | 0 | 111.9 | R1199 E1200 | D878-R1199 PolarHBondContact O-N 3.25Å; D878-R1199 VanDerWaalsContact OD2-CD 3.29Å; D878-R1199 WeakPolarHBondContact OD2-CD 3.29Å; D878-R1199 IonicContact OD2-NH1 3.4Å; D878-E1200 HydrophobicContact CB-CG 4.1Å; D878-E1200 WeakPolarHBondContact CB-OE1 3.46Å; D878-E1200 PolarHBondContact N-OE1 2.92Å | ||
| 879 | Y | 82 | Confident | 83.5 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -116.1 | 112.5 | 180 | 178.8 | -134.6 | 0 | 0 | 0 | 110.5 | T856 I874 V877 E881 I885 K886 I889 L1196 G1197 L1198 | T856-Y879 HydrophobicContact CG2-CD2 4.21Å; T856-Y879 HydrophobicContact CG2-CE1 4.21Å; T856-Y879 HydrophobicContact CG2-CE2 3.6Å; T856-Y879 PolarHBondContact OG1-OH 3.31Å; I874-Y879 HydrophobicContact CD1-CD1 4.06Å; I874-Y879 HydrophobicContact CD1-CE1 4.29Å; I874-Y879 HydrophobicContact CG1-CD1 4.37Å; V877-Y879 VanDerWaalsContact C-N 3.31Å; V877-Y879 PolarHBondContact O-N 3.5Å; Y879-E881 VanDerWaalsContact C-N 3.34Å; Y879-E881 HydrophobicContact CD1-CB 4.04Å; Y879-E881 HydrophobicContact CD2-CB 4.36Å; Y879-E881 HydrophobicContact CD2-CG 4.42Å; Y879-E881 HydrophobicContact CE1-CB 3.49Å; Y879-E881 VanDerWaalsContact CE1-CB 3.49Å; Y879-E881 HydrophobicContact CE1-CG 4.08Å; Y879-E881 HydrophobicContact CE2-CB 3.87Å; Y879-E881 HydrophobicContact CE2-CG 3.63Å; Y879-E881 HydrophobicContact CG-CB 4.43Å; Y879-E881 VanDerWaalsContact CZ-CG 3.42Å; Y879-E881 PolarHBondContact O-N 3.27Å; Y879-E881 WeakPolarHBondContact OH-CG 3.34Å; Y879-I885 HydrophobicContact CE1-CG2 4.49Å; Y879-K886 HydrophobicContact CD1-CD 4.18Å; Y879-K886 HydrophobicContact CD1-CG 3.71Å; Y879-K886 HydrophobicContact CE1-CG 4.01Å; Y879-K886 WeakPolarHBondContact O-CE 3.47Å; Y879-K886 PolarHBondContact O-NZ 3.33Å; Y879-I889 HydrophobicContact CE1-CD1 4.13Å; Y879-L1196 WeakPolarHBondContact CE2-O 3.48Å; Y879-G1197 WeakPolarHBondContact CA-O 3.47Å; Y879-G1197 WeakPolarHBondContact CD2-O 3.32Å; Y879-L1198 HydrophobicContact CD2-CD2 3.84Å; Y879-L1198 HydrophobicContact CD2-CG 4.27Å; Y879-L1198 HydrophobicContact CE2-CD2 4.49Å; Y879-L1198 HydrophobicContact CG-CD2 4.29Å |
| 880 | N | 76.3 | Confident | 83.9 | Confident | 110 Ų | 110 | 57 Ų | 57 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | trans | -86.5 | 65.2 | -174.9 | -78.2 | -19.3 | 0 | 0 | 0 | 112.5 | G1197 | N880-G1197 PolarHBondContact N-O 2.61Å; N880-G1197 VanDerWaalsContact N-O 3.08Å | ||
| 881 | E | 80.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 21% | 0.21 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -138.7 | 165.4 | 179.1 | -89.5 | -71.1 | -173.8 | 0 | 0 | 112.7 | R852 Y879 | R852-E881 IonicContact CZ-OE1 3.81Å; R852-E881 IonicContact NE-OE1 3.01Å; R852-E881 PolarHBondContact NE-OE1 3.3Å; R852-E881 VanDerWaalsContact NE-OE1 3.11Å; R852-E881 IonicContact NH1-OE1 2.69Å; R852-E881 PolarHBondContact NH1-OE1 2.76Å; R852-E881 VanDerWaalsContact NH1-OE1 3.12Å; R852-E881 IonicContact NH2-OE1 3.84Å; R852-E881 PolarHBondContact NH2-OE1 2.87Å; R852-E881 VanDerWaalsContact NH2-OE1 3.16Å; Y879-E881 VanDerWaalsContact C-N 3.34Å; Y879-E881 HydrophobicContact CD1-CB 4.04Å; Y879-E881 HydrophobicContact CD2-CB 4.36Å; Y879-E881 HydrophobicContact CD2-CG 4.42Å; Y879-E881 HydrophobicContact CE1-CB 3.49Å; Y879-E881 VanDerWaalsContact CE1-CB 3.49Å; Y879-E881 HydrophobicContact CE1-CG 4.08Å; Y879-E881 HydrophobicContact CE2-CB 3.87Å; Y879-E881 HydrophobicContact CE2-CG 3.63Å; Y879-E881 HydrophobicContact CG-CB 4.43Å; Y879-E881 VanDerWaalsContact CZ-CG 3.42Å; Y879-E881 PolarHBondContact O-N 3.27Å; Y879-E881 WeakPolarHBondContact OH-CG 3.34Å |
| 882 | K | 79.3 | Confident | 84 | Confident | 145 Ų | 145 | 59.8 Ų | 59.8 | 63% | 0.63 | 31% | 0.309 | S | S | * | . | trans | -56.9 | 141.4 | -179.2 | -65.9 | -176.9 | -179.1 | -179.9 | 0 | 111.5 | E884 I885 K886 | K882-E884 PolarHBondContact O-N 3.08Å; K882-E884 VanDerWaalsContact O-N 3.15Å; K882-I885 HydrophobicContact CB-CD1 4.49Å; K882-I885 PolarHBondContact O-N 2.8Å; K882-K886 PolarHBondContact O-N 2.79Å | ||
| 883 | V | 81.6 | Confident | 84.1 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 76% | 0.758 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -56.4 | -33.2 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | K886 G887 | V883-K886 WeakPolarHBondContact O-CB 3.27Å; V883-K886 PolarHBondContact O-N 2.95Å; V883-G887 PolarHBondContact O-N 2.98Å |
| 884 | E | 80.5 | Confident | 84.3 | Confident | 152 Ų | 152 | 61.1 Ų | 61.1 | 71% | 0.71 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.9 | -44.8 | 176.3 | -65.1 | 170.8 | 177.6 | 0 | 0 | 112.4 | K882 K886 G887 L888 | K882-E884 PolarHBondContact O-N 3.08Å; K882-E884 VanDerWaalsContact O-N 3.15Å; E884-K886 VanDerWaalsContact C-N 3.35Å; E884-G887 PolarHBondContact O-N 2.84Å; E884-L888 PolarHBondContact O-N 2.86Å |
| 885 | I | 82.9 | Confident | 84.4 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 178.8 | -63.5 | 173.8 | 0 | 0 | 0 | 110.2 | A853 Y879 K882 G887 L888 I889 | A853-I885 HydrophobicContact CB-CG2 3.81Å; Y879-I885 HydrophobicContact CE1-CG2 4.49Å; K882-I885 HydrophobicContact CB-CD1 4.49Å; K882-I885 PolarHBondContact O-N 2.8Å; I885-G887 VanDerWaalsContact C-N 3.3Å; I885-G887 PolarHBondContact O-N 2.8Å; I885-L888 PolarHBondContact O-N 3.1Å; I885-I889 HydrophobicContact CG2-CD1 4.04Å; I885-I889 WeakPolarHBondContact O-CG1 3.29Å; I885-I889 PolarHBondContact O-N 3.37Å |
| 886 | K | 84.8 | Confident | 84.7 | Confident | 46 Ų | 46 | 58.7 Ų | 58.7 | 20% | 0.2 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 172.5 | -65 | -169.3 | -178.7 | -170.4 | 0 | 111.6 | I874 Y879 K882 V883 E884 I889 Q890 | I874-K886 HydrophobicContact CG2-CB 4.4Å; Y879-K886 HydrophobicContact CD1-CD 4.18Å; Y879-K886 HydrophobicContact CD1-CG 3.71Å; Y879-K886 HydrophobicContact CE1-CG 4.01Å; Y879-K886 WeakPolarHBondContact O-CE 3.47Å; Y879-K886 PolarHBondContact O-NZ 3.33Å; K882-K886 PolarHBondContact O-N 2.79Å; V883-K886 WeakPolarHBondContact O-CB 3.27Å; V883-K886 PolarHBondContact O-N 2.95Å; E884-K886 VanDerWaalsContact C-N 3.35Å; K886-I889 PolarHBondContact O-N 2.77Å; K886-Q890 WeakPolarHBondContact O-CB 3.16Å; K886-Q890 PolarHBondContact O-N 3.04Å |
| 887 | G | 85.7 | Confident | 84.9 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 32% | 0.32 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.2 | -50.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V883 E884 I885 I889 Q890 E891 | V883-G887 PolarHBondContact O-N 2.98Å; E884-G887 PolarHBondContact O-N 2.84Å; I885-G887 VanDerWaalsContact C-N 3.3Å; I885-G887 PolarHBondContact O-N 2.8Å; G887-I889 PolarHBondContact O-N 2.95Å; G887-Q890 PolarHBondContact O-N 2.91Å; G887-Q890 VanDerWaalsContact O-N 3.13Å; G887-E891 WeakPolarHBondContact O-CG 3.42Å; G887-E891 PolarHBondContact O-N 3.31Å |
| 888 | L | 85.1 | Confident | 85.1 | Confident | 73 Ų | 73 | 62 Ų | 62 | 38% | 0.382 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -42.5 | 178.5 | -69.7 | 172.8 | 0 | 0 | 0 | 112.8 | L849 E884 I885 Q890 E891 Q892 | L849-L888 HydrophobicContact CD2-CB 4.08Å; E884-L888 PolarHBondContact O-N 2.86Å; I885-L888 PolarHBondContact O-N 3.1Å; L888-Q890 VanDerWaalsContact C-N 3.34Å; L888-E891 PolarHBondContact O-N 3.3Å; L888-Q892 PolarHBondContact O-N 3.28Å |
| 889 | I | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -42 | 176.2 | -64.4 | 169 | 0 | 0 | 0 | 110.3 | A853 T856 L857 I874 Y879 I885 K886 G887 E891 Q892 L893 | A853-I889 HydrophobicContact CB-CD1 4.15Å; A853-I889 HydrophobicContact CB-CG1 4.11Å; T856-I889 HydrophobicContact CG2-CD1 4.15Å; L857-I889 HydrophobicContact CB-CG2 4.13Å; L857-I889 HydrophobicContact CD1-CG2 3.88Å; I874-I889 HydrophobicContact CD1-CB 4.08Å; I874-I889 HydrophobicContact CD1-CD1 3.76Å; I874-I889 HydrophobicContact CD1-CG2 3.57Å; I874-I889 HydrophobicContact CG2-CG2 4.48Å; Y879-I889 HydrophobicContact CE1-CD1 4.13Å; I885-I889 HydrophobicContact CG2-CD1 4.04Å; I885-I889 WeakPolarHBondContact O-CG1 3.29Å; I885-I889 PolarHBondContact O-N 3.37Å; K886-I889 PolarHBondContact O-N 2.77Å; G887-I889 PolarHBondContact O-N 2.95Å; I889-E891 PolarHBondContact O-N 3.47Å; I889-Q892 WeakPolarHBondContact O-CB 3.31Å; I889-Q892 PolarHBondContact O-N 2.85Å; I889-L893 HydrophobicContact CG2-CD1 4.27Å; I889-L893 WeakPolarHBondContact O-CG 3.5Å; I889-L893 PolarHBondContact O-N 2.85Å |
| 890 | Q | 91 | Very high | 85.8 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 15% | 0.145 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.2 | -36.8 | 178.5 | -168 | 57.5 | 45.1 | 0 | 0 | 112.4 | M872 D873 I874 K886 G887 L888 Q892 L893 N894 | M872-Q890 PolarHBondContact O-NE2 2.77Å; M872-Q890 VanDerWaalsContact O-NE2 3.12Å; D873-Q890 PolarHBondContact OD1-OE1 3.37Å; I874-Q890 HydrophobicContact CG2-CB 4.26Å; K886-Q890 WeakPolarHBondContact O-CB 3.16Å; K886-Q890 PolarHBondContact O-N 3.04Å; G887-Q890 PolarHBondContact O-N 2.91Å; G887-Q890 VanDerWaalsContact O-N 3.13Å; L888-Q890 VanDerWaalsContact C-N 3.34Å; Q890-Q892 VanDerWaalsContact C-N 3.34Å; Q890-Q892 PolarHBondContact O-N 2.92Å; Q890-L893 PolarHBondContact O-N 2.86Å; Q890-N894 PolarHBondContact NE2-OD1 3.22Å; Q890-N894 VanDerWaalsContact NE2-OD1 3.14Å; Q890-N894 WeakPolarHBondContact O-CB 3.48Å; Q890-N894 PolarHBondContact O-N 2.81Å; Q890-N894 PolarHBondContact O-ND2 3.13Å; Q890-N894 PolarHBondContact O-OD1 3.33Å |
| 891 | E | 87.5 | Confident | 86.5 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 173.5 | -75.8 | 178.3 | 179.3 | 0 | 0 | 112.1 | G887 L888 I889 N894 S895 | G887-E891 WeakPolarHBondContact O-CG 3.42Å; G887-E891 PolarHBondContact O-N 3.31Å; L888-E891 PolarHBondContact O-N 3.3Å; I889-E891 PolarHBondContact O-N 3.47Å; E891-N894 PolarHBondContact O-N 3.01Å; E891-S895 PolarHBondContact O-N 3.14Å; E891-S895 VanDerWaalsContact O-N 3.07Å |
| 892 | Q | 90.2 | Very high | 86.9 | Confident | 19 Ų | 19 | 61 Ų | 61 | 9% | 0.089 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 172.2 | -68.3 | -64.8 | -47.5 | 0 | 0 | 111.4 | V843 W844 L849 L857 L888 I889 Q890 N894 S895 | V843-Q892 PolarHBondContact O-NE2 3.18Å; V843-Q892 PolarHBondContact O-OE1 2.76Å; V843-Q892 VanDerWaalsContact O-OE1 3.08Å; W844-Q892 HydrophobicContact CE3-CB 4.22Å; W844-Q892 HydrophobicContact CZ3-CB 4.04Å; W844-Q892 WeakPolarHBondContact CZ3-O 3.26Å; L849-Q892 HydrophobicContact CD1-CG 3.97Å; L849-Q892 HydrophobicContact CD2-CG 3.9Å; L849-Q892 HydrophobicContact CG-CG 4.09Å; L857-Q892 HydrophobicContact CD2-CB 4.03Å; L857-Q892 HydrophobicContact CD2-CG 4.49Å; L888-Q892 PolarHBondContact O-N 3.28Å; I889-Q892 WeakPolarHBondContact O-CB 3.31Å; I889-Q892 PolarHBondContact O-N 2.85Å; Q890-Q892 VanDerWaalsContact C-N 3.34Å; Q890-Q892 PolarHBondContact O-N 2.92Å; Q892-N894 PolarHBondContact O-N 3.1Å; Q892-S895 PolarHBondContact O-N 3.43Å; Q892-S895 VanDerWaalsContact O-N 3.16Å; Q892-S895 PolarHBondContact O-OG 3.4Å |
| 893 | L | 90.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 176.1 | -68.3 | 169.9 | 0 | 0 | 0 | 111.7 | L857 F860 L861 M872 I889 Q890 S895 L896 K901 | L857-L893 HydrophobicContact CD1-CD2 3.6Å; L857-L893 HydrophobicContact CD1-CG 3.9Å; F860-L893 HydrophobicContact CD1-CD1 4.02Å; F860-L893 HydrophobicContact CD1-CD2 4.2Å; F860-L893 HydrophobicContact CE1-CD1 3.6Å; F860-L893 HydrophobicContact CE1-CD2 4.03Å; F860-L893 HydrophobicContact CE1-CG 4.5Å; F860-L893 HydrophobicContact CZ-CD1 4.28Å; L861-L893 HydrophobicContact CD2-CD2 3.8Å; L861-L893 HydrophobicContact CG-CD2 4.5Å; M872-L893 HydrophobicContact CE-CD2 3.79Å; I889-L893 HydrophobicContact CG2-CD1 4.27Å; I889-L893 WeakPolarHBondContact O-CG 3.5Å; I889-L893 PolarHBondContact O-N 2.85Å; Q890-L893 PolarHBondContact O-N 2.86Å; L893-S895 VanDerWaalsContact C-N 3.34Å; L893-S895 PolarHBondContact O-N 2.94Å; L893-L896 HydrophobicContact CD2-CD1 4.46Å; L893-L896 PolarHBondContact O-N 3.06Å; L893-K901 WeakPolarHBondContact O-CE 3.31Å; L893-K901 PolarHBondContact O-NZ 3.06Å |
| 894 | N | 90.3 | Very high | 87.7 | Confident | 92 Ų | 92 | 48.4 Ų | 48.4 | 49% | 0.492 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.3 | -33 | 178.3 | -70.2 | -17.8 | 0 | 0 | 0 | 112.6 | Q890 E891 Q892 L896 K901 | Q890-N894 PolarHBondContact NE2-OD1 3.22Å; Q890-N894 VanDerWaalsContact NE2-OD1 3.14Å; Q890-N894 WeakPolarHBondContact O-CB 3.48Å; Q890-N894 PolarHBondContact O-N 2.81Å; Q890-N894 PolarHBondContact O-ND2 3.13Å; Q890-N894 PolarHBondContact O-OD1 3.33Å; E891-N894 PolarHBondContact O-N 3.01Å; Q892-N894 PolarHBondContact O-N 3.1Å; N894-L896 VanDerWaalsContact C-N 3.29Å; N894-L896 PolarHBondContact O-N 3.28Å; N894-K901 PolarHBondContact O-NZ 2.78Å |
| 895 | S | 88.4 | Confident | 88.2 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 22% | 0.217 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.6 | -14 | 179.7 | 75.7 | 0 | 0 | 0 | 0 | 114.7 | P842 W844 E891 Q892 L893 | P842-S895 WeakPolarHBondContact O-CB 3.21Å; W844-S895 WeakPolarHBondContact CA-OG 3.43Å; W844-S895 WeakPolarHBondContact CB-OG 3.4Å; W844-S895 PolarHBondContact N-OG 3.08Å; E891-S895 PolarHBondContact O-N 3.14Å; E891-S895 VanDerWaalsContact O-N 3.07Å; Q892-S895 PolarHBondContact O-N 3.43Å; Q892-S895 VanDerWaalsContact O-N 3.16Å; Q892-S895 PolarHBondContact O-OG 3.4Å; L893-S895 VanDerWaalsContact C-N 3.34Å; L893-S895 PolarHBondContact O-N 2.94Å |
| 896 | L | 88.6 | Confident | 88.4 | Confident | 8 Ų | 8 | 44.4 Ų | 44.4 | 4% | 0.042 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -64.2 | 143.6 | 172.3 | -70.4 | 173.7 | 0 | 0 | 0 | 111.6 | W844 M872 L893 N894 M900 K901 L904 L921 | W844-L896 HydrophobicContact CD2-CD2 3.47Å; W844-L896 VanDerWaalsContact CD2-CD2 3.47Å; W844-L896 HydrophobicContact CD2-CG 4.12Å; W844-L896 HydrophobicContact CE3-CD1 4.24Å; W844-L896 HydrophobicContact CE3-CD2 3.42Å; W844-L896 VanDerWaalsContact CE3-CD2 3.42Å; W844-L896 HydrophobicContact CE3-CG 3.52Å; W844-L896 HydrophobicContact CG-CD2 4.14Å; W844-L896 HydrophobicContact CH2-CD1 3.97Å; W844-L896 HydrophobicContact CH2-CD2 3.94Å; W844-L896 HydrophobicContact CH2-CG 4.11Å; W844-L896 HydrophobicContact CZ2-CD2 4Å; W844-L896 HydrophobicContact CZ3-CD1 3.69Å; W844-L896 HydrophobicContact CZ3-CD2 3.66Å; W844-L896 HydrophobicContact CZ3-CG 3.5Å; W844-L896 VanDerWaalsContact CZ3-CG 3.5Å; M872-L896 HydrophobicContact CE-CD1 3.9Å; L893-L896 HydrophobicContact CD2-CD1 4.46Å; L893-L896 PolarHBondContact O-N 3.06Å; N894-L896 VanDerWaalsContact C-N 3.29Å; N894-L896 PolarHBondContact O-N 3.28Å; L896-M900 HydrophobicContact CD2-CG 4.32Å; L896-K901 HydrophobicContact CB-CG 4.17Å; L896-K901 WeakPolarHBondContact O-CE 3.4Å; L896-K901 PolarHBondContact O-NZ 2.69Å; L896-L904 HydrophobicContact CD1-CD1 4.37Å; L896-L921 HydrophobicContact CD2-CD1 4.46Å; L896-L921 HydrophobicContact CD2-CD2 3.97Å |
| 897 | S | 86.6 | Confident | 88.3 | Confident | 66 Ų | 66 | 46.8 Ų | 46.8 | 46% | 0.462 | 27% | 0.265 | S | S | . | . | trans | -63.4 | 151.1 | 175.3 | 67.3 | 0 | 0 | 0 | 0 | 111.7 | D899 M900 K901 | S897-D899 PolarHBondContact O-N 2.83Å; S897-M900 WeakPolarHBondContact O-CB 3.32Å; S897-M900 PolarHBondContact O-N 2.84Å; S897-M900 VanDerWaalsContact O-N 3.12Å; S897-M900 WeakPolarHBondContact OG-CB 3.33Å; S897-M900 PolarHBondContact OG-N 2.73Å; S897-K901 PolarHBondContact O-N 2.94Å | ||
| 898 | N | 87.5 | Confident | 88.2 | Confident | 128 Ų | 128 | 49.1 Ų | 49.1 | 68% | 0.684 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -60.5 | -36.4 | 178.5 | -67.6 | -25.9 | 0 | 0 | 0 | 112 | M900 K901 S902 | N898-M900 VanDerWaalsContact C-N 3.34Å; N898-M900 PolarHBondContact O-N 2.95Å; N898-K901 PolarHBondContact O-N 2.92Å; N898-S902 WeakPolarHBondContact O-CB 3.35Å; N898-S902 PolarHBondContact O-N 2.88Å |
| 899 | D | 87.4 | Confident | 88.3 | Confident | 107 Ų | 107 | 46 Ų | 46 | 57% | 0.572 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.5 | -44.2 | 175.5 | -58.7 | -26.2 | 0 | 0 | 0 | 111.1 | S897 S902 V903 | S897-D899 PolarHBondContact O-N 2.83Å; D899-S902 PolarHBondContact O-N 3.08Å; D899-S902 PolarHBondContact O-OG 2.81Å; D899-V903 PolarHBondContact O-N 2.92Å; D899-V903 VanDerWaalsContact O-N 3.16Å |
| 900 | M | 88.1 | Confident | 88.2 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 6% | 0.064 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 178.4 | -171 | 60.7 | 63.1 | 0 | 0 | 112 | I425 L428 L896 S897 N898 S902 V903 L904 L917 L921 | I425-M900 HydrophobicContact CD1-CE 3.53Å; I425-M900 HydrophobicContact CD1-SD 4.01Å; L428-M900 HydrophobicContact CD1-CE 3.91Å; L896-M900 HydrophobicContact CD2-CG 4.32Å; S897-M900 WeakPolarHBondContact O-CB 3.32Å; S897-M900 PolarHBondContact O-N 2.84Å; S897-M900 VanDerWaalsContact O-N 3.12Å; S897-M900 WeakPolarHBondContact OG-CB 3.33Å; S897-M900 PolarHBondContact OG-N 2.73Å; N898-M900 VanDerWaalsContact C-N 3.34Å; N898-M900 PolarHBondContact O-N 2.95Å; M900-S902 VanDerWaalsContact C-N 3.26Å; M900-S902 PolarHBondContact O-N 2.81Å; M900-V903 PolarHBondContact O-N 2.9Å; M900-L904 HydrophobicContact CG-CD1 4.03Å; M900-L904 WeakPolarHBondContact O-CG 3.32Å; M900-L904 PolarHBondContact O-N 3.26Å; M900-L917 HydrophobicContact CE-CD1 4.03Å; M900-L917 HydrophobicContact SD-CD1 3.74Å; M900-L917 HydrophobicContact SD-CD2 3.77Å; M900-L917 HydrophobicContact SD-CG 3.87Å; M900-L921 HydrophobicContact CE-CD2 3.92Å; M900-L921 HydrophobicContact CG-CD1 4.05Å; M900-L921 HydrophobicContact CG-CD2 4.12Å; M900-L921 HydrophobicContact SD-CD1 3.97Å; M900-L921 HydrophobicContact SD-CD2 4.12Å; M900-L921 HydrophobicContact SD-CG 4.31Å |
| 901 | K | 89.8 | Confident | 88.1 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 17% | 0.17 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.6 | -42.7 | 174.9 | -68.4 | 173.3 | -178.2 | 165.5 | 0 | 111 | M872 L893 N894 L896 S897 N898 V903 L904 Q905 | M872-K901 HydrophobicContact CE-CG 4.24Å; L893-K901 WeakPolarHBondContact O-CE 3.31Å; L893-K901 PolarHBondContact O-NZ 3.06Å; N894-K901 PolarHBondContact O-NZ 2.78Å; L896-K901 HydrophobicContact CB-CG 4.17Å; L896-K901 WeakPolarHBondContact O-CE 3.4Å; L896-K901 PolarHBondContact O-NZ 2.69Å; S897-K901 PolarHBondContact O-N 2.94Å; N898-K901 PolarHBondContact O-N 2.92Å; K901-V903 VanDerWaalsContact C-N 3.3Å; K901-V903 PolarHBondContact O-N 3Å; K901-L904 PolarHBondContact O-N 2.92Å; K901-Q905 WeakPolarHBondContact O-CB 3.45Å; K901-Q905 WeakPolarHBondContact O-CG 3.45Å; K901-Q905 PolarHBondContact O-N 2.84Å |
| 902 | S | 90.1 | Very high | 88.2 | Confident | 36 Ų | 36 | 43.5 Ų | 43.5 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.3 | -32.3 | -178.4 | 83.2 | 0 | 0 | 0 | 0 | 113.8 | K423 N898 D899 M900 | K423-S902 WeakPolarHBondContact CD-O 3.5Å; N898-S902 WeakPolarHBondContact O-CB 3.35Å; N898-S902 PolarHBondContact O-N 2.88Å; D899-S902 PolarHBondContact O-N 3.08Å; D899-S902 PolarHBondContact O-OG 2.81Å; M900-S902 VanDerWaalsContact C-N 3.26Å; M900-S902 PolarHBondContact O-N 2.81Å |
| 903 | V | 89.4 | Confident | 88.1 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -80.3 | -40.7 | 176.4 | 172.5 | 0 | 0 | 0 | 0 | 111.1 | F413 K423 I425 D899 M900 K901 Q905 D906 L909 L917 | F413-V903 HydrophobicContact CE1-CG1 4.08Å; F413-V903 HydrophobicContact CZ-CG1 4.36Å; K423-V903 HydrophobicContact CB-CG2 3.97Å; I425-V903 HydrophobicContact CD1-CG2 4.27Å; I425-V903 HydrophobicContact CG1-CG2 3.92Å; D899-V903 PolarHBondContact O-N 2.92Å; D899-V903 VanDerWaalsContact O-N 3.16Å; M900-V903 PolarHBondContact O-N 2.9Å; K901-V903 VanDerWaalsContact C-N 3.3Å; K901-V903 PolarHBondContact O-N 3Å; V903-Q905 PolarHBondContact O-N 2.97Å; V903-D906 WeakPolarHBondContact O-CB 3.35Å; V903-D906 PolarHBondContact O-N 2.66Å; V903-L909 HydrophobicContact CG1-CD1 4.21Å; V903-L917 HydrophobicContact CG1-CD2 3.93Å |
| 904 | L | 88.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.1 | -30.8 | 177.4 | -73.4 | 168.7 | 0 | 0 | 0 | 112.9 | L861 M872 L896 M900 K901 D906 L917 L921 | L861-L904 HydrophobicContact CD2-CD1 4.23Å; M872-L904 HydrophobicContact CE-CD1 3.91Å; M872-L904 HydrophobicContact SD-CB 4.25Å; M872-L904 HydrophobicContact SD-CD1 4.48Å; L896-L904 HydrophobicContact CD1-CD1 4.37Å; M900-L904 HydrophobicContact CG-CD1 4.03Å; M900-L904 WeakPolarHBondContact O-CG 3.32Å; M900-L904 PolarHBondContact O-N 3.26Å; K901-L904 PolarHBondContact O-N 2.92Å; L904-D906 VanDerWaalsContact C-N 3.33Å; L904-L917 HydrophobicContact CD2-CD2 3.79Å; L904-L917 HydrophobicContact CD2-CG 4.47Å; L904-L917 HydrophobicContact CG-CD2 4.17Å; L904-L921 HydrophobicContact CD1-CD1 4.24Å |
| 905 | Q | 89.6 | Confident | 88.3 | Confident | 83 Ų | 83 | 39.2 Ų | 39.2 | 39% | 0.388 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -1.3 | 175 | -67.7 | 178 | -40.1 | 0 | 0 | 113.8 | F870 M872 K901 V903 S907 | F870-Q905 HydrophobicContact CB-CB 4.32Å; F870-Q905 HydrophobicContact CB-CG 4.48Å; M872-Q905 HydrophobicContact CG-CG 3.76Å; K901-Q905 WeakPolarHBondContact O-CB 3.45Å; K901-Q905 WeakPolarHBondContact O-CG 3.45Å; K901-Q905 PolarHBondContact O-N 2.84Å; V903-Q905 PolarHBondContact O-N 2.97Å; Q905-S907 PolarHBondContact O-N 2.91Å |
| 906 | D | 87.1 | Confident | 88.4 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | trans | -71.2 | 126.1 | 178.6 | -167.9 | -9.2 | 0 | 0 | 0 | 110.5 | K423 V903 L904 E908 L909 | K423-D906 PolarHBondContact N-OD2 3.02Å; V903-D906 WeakPolarHBondContact O-CB 3.35Å; V903-D906 PolarHBondContact O-N 2.66Å; L904-D906 VanDerWaalsContact C-N 3.33Å; D906-E908 PolarHBondContact O-N 2.95Å; D906-E908 PolarHBondContact OD1-N 2.98Å; D906-L909 HydrophobicContact CB-CB 4.39Å; D906-L909 WeakPolarHBondContact O-CB 3.46Å; D906-L909 PolarHBondContact O-N 2.91Å | ||
| 907 | S | 84.1 | Confident | 88.6 | Confident | 95 Ų | 95 | 37.6 Ų | 37.6 | 66% | 0.664 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -23.9 | 176.9 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | Q905 L909 | Q905-S907 PolarHBondContact O-N 2.91Å; S907-L909 VanDerWaalsContact C-N 3.26Å; S907-L909 PolarHBondContact O-N 2.8Å |
| 908 | E | 84.3 | Confident | 88.8 | Confident | 80 Ų | 80 | 34.5 Ų | 34.5 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.3 | 177.1 | -62.4 | -168.5 | 177 | 0 | 0 | 112.6 | Q422 D906 S910 | Q422-E908 HydrophobicContact CB-CB 4.38Å; Q422-E908 HydrophobicContact CG-CB 4.42Å; Q422-E908 PolarHBondContact N-OE2 2.68Å; Q422-E908 VanDerWaalsContact N-OE2 3.08Å; Q422-E908 PolarHBondContact NE2-O 3.49Å; D906-E908 PolarHBondContact O-N 2.95Å; D906-E908 PolarHBondContact OD1-N 2.98Å; E908-S910 PolarHBondContact O-N 3.41Å |
| 909 | L | 86.1 | Confident | 89 | Confident | 9 Ų | 9 | 28.5 Ų | 28.5 | 5% | 0.047 | 16% | 0.158 | C | C | . | . | trans | -72.3 | 113.3 | 177.7 | -168.8 | 72.3 | 0 | 0 | 0 | 111.2 | V903 D906 S907 Q913 R914 | V903-L909 HydrophobicContact CG1-CD1 4.21Å; D906-L909 HydrophobicContact CB-CB 4.39Å; D906-L909 WeakPolarHBondContact O-CB 3.46Å; D906-L909 PolarHBondContact O-N 2.91Å; S907-L909 VanDerWaalsContact C-N 3.26Å; S907-L909 PolarHBondContact O-N 2.8Å; L909-Q913 HydrophobicContact CD1-CB 3.59Å; L909-Q913 HydrophobicContact CG-CB 4.21Å; L909-R914 HydrophobicContact CD2-CB 3.91Å; L909-R914 HydrophobicContact CD2-CG 4.35Å; L909-R914 HydrophobicContact CG-CB 4.37Å | ||
| 910 | S | 87.4 | Confident | 89.2 | Confident | 46 Ų | 46 | 24.4 Ų | 24.4 | 32% | 0.322 | 13% | 0.134 | S | C | . | . | trans | -65.9 | 156.5 | 177 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | E908 L912 Q913 R914 | E908-S910 PolarHBondContact O-N 3.41Å; S910-L912 PolarHBondContact O-N 3.01Å; S910-Q913 VanDerWaalsContact N-OE1 3.12Å; S910-Q913 PolarHBondContact O-N 2.91Å; S910-Q913 WeakPolarHBondContact OG-CB 3.42Å; S910-Q913 WeakPolarHBondContact OG-CG 3.22Å; S910-Q913 PolarHBondContact OG-N 2.74Å; S910-Q913 PolarHBondContact OG-OE1 2.91Å; S910-R914 PolarHBondContact O-N 3.04Å | ||
| 911 | L | 88.5 | Confident | 89.3 | Confident | 22 Ų | 22 | 25 Ų | 25 | 12% | 0.115 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -54.4 | -42.5 | 176.2 | 179.9 | 61.5 | 0 | 0 | 0 | 111.8 | R914 C915 L1161 E1164 A1165 | L911-R914 PolarHBondContact O-N 3.48Å; L911-C915 PolarHBondContact O-N 2.91Å; L911-C915 PolarHBondContact O-SG 2.89Å; L911-L1161 HydrophobicContact CD1-CD2 4.14Å; L911-E1164 HydrophobicContact CD2-CB 4.13Å; L911-E1164 HydrophobicContact CD2-CG 3.94Å; L911-A1165 HydrophobicContact CD2-CB 4.2Å |
| 912 | L | 88.6 | Confident | 89.4 | Confident | 20 Ų | 20 | 23.3 Ų | 23.3 | 11% | 0.105 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 179.7 | -69.4 | 168.2 | 0 | 0 | 0 | 112.2 | S910 R914 C915 L916 W931 L938 A1165 | S910-L912 PolarHBondContact O-N 3.01Å; L912-R914 VanDerWaalsContact C-N 3.27Å; L912-R914 PolarHBondContact O-N 2.75Å; L912-C915 PolarHBondContact O-N 2.86Å; L912-L916 PolarHBondContact O-N 3.13Å; L912-W931 HydrophobicContact CD2-CE3 3.85Å; L912-W931 HydrophobicContact CD2-CZ3 3.78Å; L912-L938 HydrophobicContact CD1-CB 4.29Å; L912-L938 HydrophobicContact CD1-CD1 3.97Å; L912-L938 HydrophobicContact CD2-CD1 3.78Å; L912-L938 HydrophobicContact CG-CD1 4.48Å; L912-A1165 HydrophobicContact CD2-CB 3.78Å; L912-A1165 HydrophobicContact CG-CB 4.1Å |
| 913 | Q | 89.5 | Confident | 89.3 | Confident | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 176.4 | -72.5 | 170 | -49.5 | 0 | 0 | 111.3 | F413 C414 A416 L909 S910 L917 | F413-Q913 PolarHBondContact O-NE2 3.48Å; F413-Q913 VanDerWaalsContact O-NE2 3.09Å; C414-Q913 HydrophobicContact CB-CB 4.15Å; C414-Q913 HydrophobicContact CB-CG 4.02Å; A416-Q913 HydrophobicContact CB-CG 3.85Å; L909-Q913 HydrophobicContact CD1-CB 3.59Å; L909-Q913 HydrophobicContact CG-CB 4.21Å; S910-Q913 VanDerWaalsContact N-OE1 3.12Å; S910-Q913 PolarHBondContact O-N 2.91Å; S910-Q913 WeakPolarHBondContact OG-CB 3.42Å; S910-Q913 WeakPolarHBondContact OG-CG 3.22Å; S910-Q913 PolarHBondContact OG-N 2.74Å; S910-Q913 PolarHBondContact OG-OE1 2.91Å; Q913-L917 VanDerWaalsContact O-CB 3.26Å; Q913-L917 WeakPolarHBondContact O-CB 3.5Å; Q913-L917 PolarHBondContact O-N 3.47Å |
| 914 | R | 91.9 | Very high | 89.3 | Confident | 13 Ų | 13 | 21.6 Ų | 21.6 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.4 | -48.2 | 175.3 | -176.1 | 178.2 | -68.5 | 149.1 | 8.5 | 112.1 | L861 L862 Q864 L909 S910 L911 L912 L916 L917 V918 | L861-R914 VanDerWaalsContact O-CD 3.3Å; L861-R914 WeakPolarHBondContact O-CD 3.29Å; L862-R914 WeakPolarHBondContact O-CD 3.24Å; Q864-R914 PolarHBondContact O-NH1 3.38Å; L909-R914 HydrophobicContact CD2-CB 3.91Å; L909-R914 HydrophobicContact CD2-CG 4.35Å; L909-R914 HydrophobicContact CG-CB 4.37Å; S910-R914 PolarHBondContact O-N 3.04Å; L911-R914 PolarHBondContact O-N 3.48Å; L912-R914 VanDerWaalsContact C-N 3.27Å; L912-R914 PolarHBondContact O-N 2.75Å; R914-L916 VanDerWaalsContact C-N 3.31Å; R914-L916 PolarHBondContact O-N 3.09Å; R914-L917 PolarHBondContact O-N 3.19Å; R914-V918 HydrophobicContact CG-CG2 4.28Å; R914-V918 WeakPolarHBondContact O-CG2 3.29Å; R914-V918 PolarHBondContact O-N 3.22Å |
| 915 | C | 92.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -49.8 | 175.5 | -70.5 | 0 | 0 | 0 | 0 | 110.7 | L862 L911 L912 L917 V918 S919 W931 | L862-C915 HydrophobicContact CD2-CB 4.4Å; L911-C915 PolarHBondContact O-N 2.91Å; L911-C915 PolarHBondContact O-SG 2.89Å; L912-C915 PolarHBondContact O-N 2.86Å; C915-L917 PolarHBondContact O-N 3.24Å; C915-V918 PolarHBondContact O-N 2.93Å; C915-S919 WeakPolarHBondContact O-CB 3.09Å; C915-S919 PolarHBondContact O-N 3.35Å; C915-S919 PolarHBondContact O-OG 3.42Å; C915-W931 HydrophobicContact CB-CD2 3.51Å; C915-W931 HydrophobicContact CB-CE3 3.93Å; C915-W931 HydrophobicContact CB-CG 3.83Å; C915-W931 HydrophobicContact CB-CH2 4.34Å; C915-W931 HydrophobicContact CB-CZ2 3.98Å; C915-W931 HydrophobicContact CB-CZ3 4.32Å |
| 916 | L | 91.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 19.2 Ų | 19.2 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -41.2 | 179.6 | -168.1 | 72.8 | 0 | 0 | 0 | 112.9 | C414 L912 R914 R920 L928 W931 T932 | C414-L916 HydrophobicContact CB-CB 4.47Å; C414-L916 HydrophobicContact CB-CD2 3.67Å; C414-L916 WeakPolarHBondContact O-CD2 3.27Å; L912-L916 PolarHBondContact O-N 3.13Å; R914-L916 VanDerWaalsContact C-N 3.31Å; R914-L916 PolarHBondContact O-N 3.09Å; L916-R920 WeakPolarHBondContact O-CB 3.45Å; L916-R920 PolarHBondContact O-N 3.43Å; L916-L928 HydrophobicContact CD1-CD1 3.76Å; L916-L928 HydrophobicContact CG-CD1 4.27Å; L916-W931 HydrophobicContact CB-CB 4.32Å; L916-W931 HydrophobicContact CD1-CB 3.8Å; L916-T932 VanDerWaalsContact CD1-OG1 3.28Å; L916-T932 WeakPolarHBondContact CD1-OG1 3.2Å |
| 917 | L | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 179.2 | -172.3 | 62.5 | 0 | 0 | 0 | 111.7 | L428 M900 V903 L904 Q913 R914 C915 R920 L921 | L428-L917 HydrophobicContact CD1-CD1 4.44Å; L428-L917 HydrophobicContact CD2-CD1 3.84Å; M900-L917 HydrophobicContact CE-CD1 4.03Å; M900-L917 HydrophobicContact SD-CD1 3.74Å; M900-L917 HydrophobicContact SD-CD2 3.77Å; M900-L917 HydrophobicContact SD-CG 3.87Å; V903-L917 HydrophobicContact CG1-CD2 3.93Å; L904-L917 HydrophobicContact CD2-CD2 3.79Å; L904-L917 HydrophobicContact CD2-CG 4.47Å; L904-L917 HydrophobicContact CG-CD2 4.17Å; Q913-L917 VanDerWaalsContact O-CB 3.26Å; Q913-L917 WeakPolarHBondContact O-CB 3.5Å; Q913-L917 PolarHBondContact O-N 3.47Å; R914-L917 PolarHBondContact O-N 3.19Å; C915-L917 PolarHBondContact O-N 3.24Å; L917-R920 PolarHBondContact O-N 3.04Å; L917-L921 WeakPolarHBondContact O-CG 3.4Å; L917-L921 PolarHBondContact O-N 3.24Å |
| 918 | V | 92.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.006 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.1 | -43.6 | 176.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | K858 L861 L862 R914 C915 R920 L921 F922 | K858-V918 HydrophobicContact CG-CG1 4.21Å; L861-V918 HydrophobicContact CB-CG1 4.4Å; L861-V918 HydrophobicContact CB-CG2 3.77Å; L861-V918 HydrophobicContact CD1-CG2 4.45Å; L862-V918 HydrophobicContact CD2-CB 3.9Å; L862-V918 HydrophobicContact CD2-CG1 4.11Å; L862-V918 HydrophobicContact CD2-CG2 3.99Å; L862-V918 HydrophobicContact CG-CB 4.48Å; L862-V918 HydrophobicContact CG-CG1 4.19Å; L862-V918 HydrophobicContact CG-CG2 4.47Å; R914-V918 HydrophobicContact CG-CG2 4.28Å; R914-V918 WeakPolarHBondContact O-CG2 3.29Å; R914-V918 PolarHBondContact O-N 3.22Å; C915-V918 PolarHBondContact O-N 2.93Å; V918-R920 VanDerWaalsContact C-N 3.27Å; V918-R920 PolarHBondContact O-N 2.87Å; V918-L921 WeakPolarHBondContact O-CB 3.3Å; V918-L921 PolarHBondContact O-N 2.88Å; V918-L921 VanDerWaalsContact O-N 3.09Å; V918-F922 HydrophobicContact CG1-CD2 3.98Å; V918-F922 HydrophobicContact CG1-CE2 4.1Å; V918-F922 WeakPolarHBondContact O-CD2 3.47Å; V918-F922 PolarHBondContact O-N 2.83Å |
| 919 | S | 91.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 13.6 Ų | 13.6 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -58.7 | -40.2 | 174.5 | -55.8 | 0 | 0 | 0 | 0 | 112 | C915 F922 G923 D924 D927 | C915-S919 WeakPolarHBondContact O-CB 3.09Å; C915-S919 PolarHBondContact O-N 3.35Å; C915-S919 PolarHBondContact O-OG 3.42Å; S919-F922 PolarHBondContact O-N 2.95Å; S919-G923 PolarHBondContact O-N 2.92Å; S919-D924 PolarHBondContact O-N 2.71Å; S919-D924 VanDerWaalsContact O-N 3.08Å; S919-D927 VanDerWaalsContact OG-CB 3.27Å; S919-D927 WeakPolarHBondContact OG-CB 3.23Å |
| 920 | R | 90.8 | Very high | 89.9 | Confident | 21 Ų | 21 | 13.3 Ų | 13.3 | 8% | 0.079 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 173.7 | -171.6 | 177.1 | -77 | 126.7 | 0.6 | 112.5 | V370 N371 C414 L916 L917 V918 F922 G923 L928 | V370-R920 HydrophobicContact CG1-CB 4.47Å; V370-R920 HydrophobicContact CG1-CG 3.59Å; N371-R920 WeakPolarHBondContact OD1-CD 2.99Å; C414-R920 PolarHBondContact SG-NH1 3.16Å; L916-R920 WeakPolarHBondContact O-CB 3.45Å; L916-R920 PolarHBondContact O-N 3.43Å; L917-R920 PolarHBondContact O-N 3.04Å; V918-R920 VanDerWaalsContact C-N 3.27Å; V918-R920 PolarHBondContact O-N 2.87Å; R920-F922 VanDerWaalsContact C-N 3.35Å; R920-G923 PolarHBondContact O-N 3.09Å; R920-L928 HydrophobicContact CB-CD1 4.04Å |
| 921 | L | 90.9 | Very high | 90.2 | Very high | 26 Ų | 26 | 11.5 Ų | 11.5 | 14% | 0.136 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.6 | -35.7 | 178.9 | -77.4 | 173 | 0 | 0 | 0 | 112.9 | W844 L896 M900 L904 L917 V918 | W844-L921 HydrophobicContact CZ2-CB 4.01Å; W844-L921 PolarHBondContact NE1-O 3.2Å; L896-L921 HydrophobicContact CD2-CD1 4.46Å; L896-L921 HydrophobicContact CD2-CD2 3.97Å; M900-L921 HydrophobicContact CE-CD2 3.92Å; M900-L921 HydrophobicContact CG-CD1 4.05Å; M900-L921 HydrophobicContact CG-CD2 4.12Å; M900-L921 HydrophobicContact SD-CD1 3.97Å; M900-L921 HydrophobicContact SD-CD2 4.12Å; M900-L921 HydrophobicContact SD-CG 4.31Å; L904-L921 HydrophobicContact CD1-CD1 4.24Å; L917-L921 WeakPolarHBondContact O-CG 3.4Å; L917-L921 PolarHBondContact O-N 3.24Å; V918-L921 WeakPolarHBondContact O-CB 3.3Å; V918-L921 PolarHBondContact O-N 2.88Å; V918-L921 VanDerWaalsContact O-N 3.09Å |
| 922 | F | 90.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 1% | 0.013 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -79.7 | -25.4 | 176.8 | -85.5 | -112.9 | 0 | 0 | 0 | 112.6 | Y82 W844 P846 L857 K858 L861 V918 S919 R920 | Y82-F922 HydrophobicContact CE1-CD1 4.09Å; Y82-F922 HydrophobicContact CE2-CD1 4.18Å; Y82-F922 HydrophobicContact CE2-CE1 4.2Å; Y82-F922 AromaticContact CZ-CD1 3.66Å; Y82-F922 WeakPolarHBondContact OH-CD1 3.41Å; W844-F922 HydrophobicContact CZ2-CD2 4.49Å; W844-F922 HydrophobicContact CZ2-CE2 4.27Å; P846-F922 HydrophobicContact CB-CD1 3.57Å; P846-F922 HydrophobicContact CB-CE1 3.34Å; P846-F922 HydrophobicContact CB-CE2 4.45Å; P846-F922 HydrophobicContact CB-CG 4.25Å; P846-F922 HydrophobicContact CB-CZ 3.82Å; P846-F922 HydrophobicContact CG-CD1 3.82Å; P846-F922 HydrophobicContact CG-CD2 4.07Å; P846-F922 HydrophobicContact CG-CE1 3.78Å; P846-F922 HydrophobicContact CG-CE2 4.02Å; P846-F922 HydrophobicContact CG-CG 3.97Å; P846-F922 HydrophobicContact CG-CZ 3.87Å; L857-F922 HydrophobicContact CB-CZ 4.4Å; L857-F922 HydrophobicContact CD2-CZ 4.16Å; L857-F922 HydrophobicContact CG-CZ 4.01Å; K858-F922 HydrophobicContact CB-CE1 3.85Å; K858-F922 HydrophobicContact CB-CE2 4.25Å; K858-F922 HydrophobicContact CB-CZ 3.63Å; K858-F922 HydrophobicContact CD-CD1 4.49Å; K858-F922 HydrophobicContact CD-CE1 4.43Å; K858-F922 HydrophobicContact CG-CE1 4.45Å; K858-F922 HydrophobicContact CG-CZ 4.34Å; L861-F922 HydrophobicContact CD1-CE2 4.14Å; V918-F922 HydrophobicContact CG1-CD2 3.98Å; V918-F922 HydrophobicContact CG1-CE2 4.1Å; V918-F922 WeakPolarHBondContact O-CD2 3.47Å; V918-F922 PolarHBondContact O-N 2.83Å; S919-F922 PolarHBondContact O-N 2.95Å; R920-F922 VanDerWaalsContact C-N 3.35Å |
| 923 | G | 88.1 | Confident | 90.4 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 24.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W31 S919 R920 E925 | W31-G923 WeakPolarHBondContact CB-O 3.2Å; W31-G923 VanDerWaalsContact O-CA 3.3Å; W31-G923 WeakPolarHBondContact O-CA 3.29Å; S919-G923 PolarHBondContact O-N 2.92Å; R920-G923 PolarHBondContact O-N 3.09Å; G923-E925 PolarHBondContact O-N 3.48Å; G923-E925 VanDerWaalsContact O-N 3.15Å |
| 924 | D | 88.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -79.5 | 98.9 | -176.8 | -67.1 | -3.8 | 0 | 0 | 0 | 109.6 | H76 Y82 K858 S919 S926 D927 L928 | H76-D924 IonicContact CD2-OD1 3.12Å; H76-D924 IonicContact NE2-OD1 2.77Å; Y82-D924 VanDerWaalsContact CE1-OD1 3.29Å; Y82-D924 WeakPolarHBondContact CE1-OD1 3.39Å; Y82-D924 PolarHBondContact OH-OD1 2.95Å; Y82-D924 PolarHBondContact OH-OD2 2.96Å; K858-D924 IonicContact NZ-OD2 2.75Å; K858-D924 PolarHBondContact NZ-OD2 2.95Å; S919-D924 PolarHBondContact O-N 2.71Å; S919-D924 VanDerWaalsContact O-N 3.08Å; D924-S926 VanDerWaalsContact C-N 3.3Å; D924-S926 PolarHBondContact O-N 3.25Å; D924-D927 HydrophobicContact CB-CB 3.88Å; D924-D927 PolarHBondContact O-N 2.83Å; D924-L928 VanDerWaalsContact O-CB 3.32Å; D924-L928 WeakPolarHBondContact O-CB 2.91Å; D924-L928 PolarHBondContact O-N 3.23Å | ||
| 925 | E | 87.7 | Confident | 90.3 | Very high | 21 Ų | 21 | 9.9 Ų | 9.9 | 10% | 0.098 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -57.2 | -43.6 | -177.8 | -178.2 | 173.1 | -173.6 | 0 | 0 | 111.2 | W31 R71 E72 N73 G923 L928 N929 | W31-E925 HydrophobicContact CD2-CB 3.93Å; W31-E925 HydrophobicContact CD2-CG 4.45Å; W31-E925 HydrophobicContact CE3-CB 3.73Å; W31-E925 HydrophobicContact CE3-CG 4.39Å; W31-E925 HydrophobicContact CH2-CB 3.85Å; W31-E925 HydrophobicContact CH2-CG 3.57Å; W31-E925 HydrophobicContact CZ2-CB 3.99Å; W31-E925 VanDerWaalsContact CZ2-CD 3.46Å; W31-E925 HydrophobicContact CZ2-CG 3.6Å; W31-E925 HydrophobicContact CZ3-CB 3.7Å; W31-E925 HydrophobicContact CZ3-CG 3.98Å; R71-E925 IonicContact NH1-OE1 3.01Å; E72-E925 PolarHBondContact O-N 3.07Å; N73-E925 HydrophobicContact CB-CB 4.26Å; N73-E925 HydrophobicContact CB-CG 4.36Å; G923-E925 PolarHBondContact O-N 3.48Å; G923-E925 VanDerWaalsContact O-N 3.15Å; E925-L928 PolarHBondContact O-N 3.4Å; E925-N929 WeakPolarHBondContact O-CB 3.11Å; E925-N929 PolarHBondContact O-N 2.97Å; E925-N929 VanDerWaalsContact O-N 3.11Å; E925-N929 PolarHBondContact O-ND2 2.96Å |
| 926 | S | 86.6 | Confident | 90.2 | Very high | 16 Ų | 16 | 11 Ų | 11 | 11% | 0.112 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | -177.3 | 79.6 | 0 | 0 | 0 | 0 | 112.9 | N73 Y74 D924 F930 R1158 | N73-S926 WeakPolarHBondContact OD1-CB 3.43Å; N73-S926 PolarHBondContact OD1-N 2.74Å; Y74-S926 PolarHBondContact O-OG 3.41Å; Y74-S926 VanDerWaalsContact O-OG 3.08Å; D924-S926 VanDerWaalsContact C-N 3.3Å; D924-S926 PolarHBondContact O-N 3.25Å; S926-F930 WeakPolarHBondContact O-CB 3.41Å; S926-F930 PolarHBondContact O-N 2.95Å; S926-F930 VanDerWaalsContact O-N 3.15Å; S926-R1158 PolarHBondContact OG-NH2 3.37Å; S926-R1158 VanDerWaalsContact OG-NH2 3.1Å |
| 927 | D | 88.8 | Confident | 90.1 | Very high | 5 Ų | 5 | 11.2 Ų | 11.2 | 3% | 0.027 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -72.8 | -41.1 | 177.9 | -82.7 | -28.6 | 0 | 0 | 0 | 111.3 | K858 S919 D924 N929 F930 W931 R1158 | K858-D927 IonicContact NZ-OD2 3.16Å; K858-D927 PolarHBondContact NZ-OD2 2.83Å; S919-D927 VanDerWaalsContact OG-CB 3.27Å; S919-D927 WeakPolarHBondContact OG-CB 3.23Å; D924-D927 HydrophobicContact CB-CB 3.88Å; D924-D927 PolarHBondContact O-N 2.83Å; D927-N929 VanDerWaalsContact C-N 3.33Å; D927-N929 PolarHBondContact O-N 2.83Å; D927-F930 PolarHBondContact O-N 2.89Å; D927-W931 WeakPolarHBondContact O-CB 3.32Å; D927-W931 PolarHBondContact O-N 2.86Å; D927-R1158 IonicContact OD1-CZ 3.59Å; D927-R1158 IonicContact OD1-NE 3.79Å; D927-R1158 PolarHBondContact OD1-NE 2.74Å; D927-R1158 IonicContact OD1-NH2 2.77Å; D927-R1158 PolarHBondContact OD1-NH2 2.87Å |
| 928 | L | 90.1 | Very high | 89.9 | Confident | 13 Ų | 13 | 11.1 Ų | 11.1 | 7% | 0.068 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 179.8 | -173.1 | 73.1 | 0 | 0 | 0 | 110.8 | W31 L916 R920 D924 E925 T932 | W31-L928 HydrophobicContact CZ3-CD2 4.03Å; L916-L928 HydrophobicContact CD1-CD1 3.76Å; L916-L928 HydrophobicContact CG-CD1 4.27Å; R920-L928 HydrophobicContact CB-CD1 4.04Å; D924-L928 VanDerWaalsContact O-CB 3.32Å; D924-L928 WeakPolarHBondContact O-CB 2.91Å; D924-L928 PolarHBondContact O-N 3.23Å; E925-L928 PolarHBondContact O-N 3.4Å; L928-T932 VanDerWaalsContact O-CB 3.28Å; L928-T932 WeakPolarHBondContact O-CB 3.45Å; L928-T932 PolarHBondContact O-N 3.2Å; L928-T932 PolarHBondContact O-OG1 3.22Å |
| 929 | N | 89 | Confident | 89.6 | Confident | 53 Ų | 53 | 13.1 Ų | 13.1 | 28% | 0.283 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 176.6 | -71.3 | -24.5 | 0 | 0 | 0 | 111.6 | E925 D927 V933 | E925-N929 WeakPolarHBondContact O-CB 3.11Å; E925-N929 PolarHBondContact O-N 2.97Å; E925-N929 VanDerWaalsContact O-N 3.11Å; E925-N929 PolarHBondContact O-ND2 2.96Å; D927-N929 VanDerWaalsContact C-N 3.33Å; D927-N929 PolarHBondContact O-N 2.83Å; N929-V933 WeakPolarHBondContact O-CG2 3.47Å; N929-V933 PolarHBondContact O-N 2.81Å |
| 930 | F | 91.7 | Very high | 89.4 | Confident | 4 Ų | 4 | 15.7 Ų | 15.7 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.9 | -52.6 | 177.8 | 174.2 | -95.4 | 0 | 0 | 0 | 112.3 | S926 D927 T932 V933 A934 I1131 L1135 V1143 L1147 R1158 F1162 | S926-F930 WeakPolarHBondContact O-CB 3.41Å; S926-F930 PolarHBondContact O-N 2.95Å; S926-F930 VanDerWaalsContact O-N 3.15Å; D927-F930 PolarHBondContact O-N 2.89Å; F930-T932 VanDerWaalsContact C-N 3.34Å; F930-T932 PolarHBondContact O-N 2.87Å; F930-V933 PolarHBondContact O-N 2.86Å; F930-A934 HydrophobicContact CE1-CB 4.43Å; F930-A934 VanDerWaalsContact O-CB 3.23Å; F930-A934 WeakPolarHBondContact O-CB 3.43Å; F930-A934 PolarHBondContact O-N 3.26Å; F930-I1131 HydrophobicContact CD2-CG2 3.8Å; F930-I1131 HydrophobicContact CE2-CG2 3.65Å; F930-L1135 HydrophobicContact CD2-CD1 3.81Å; F930-L1135 HydrophobicContact CE2-CD1 3.68Å; F930-L1135 HydrophobicContact CZ-CD1 4.47Å; F930-V1143 HydrophobicContact CE2-CG1 4.33Å; F930-L1147 HydrophobicContact CE2-CD1 4.04Å; F930-L1147 HydrophobicContact CZ-CD1 3.81Å; F930-R1158 HydrophobicContact CD1-CG 3.93Å; F930-R1158 HydrophobicContact CE1-CG 3.63Å; F930-R1158 HydrophobicContact CZ-CG 4.11Å; F930-F1162 HydrophobicContact CE1-CB 4.48Å; F930-F1162 HydrophobicContact CE1-CD2 4.24Å; F930-F1162 HydrophobicContact CZ-CB 4.24Å; F930-F1162 AromaticContact CZ-CD2 3.76Å; F930-F1162 HydrophobicContact CZ-CD2 3.76Å; F930-F1162 HydrophobicContact CZ-CE2 4.26Å; F930-F1162 AromaticContact CZ-CG 3.99Å; F930-F1162 HydrophobicContact CZ-CG 3.99Å |
| 931 | W | 92.5 | Very high | 89.1 | Confident | 8 Ų | 8 | 18 Ų | 18 | 3% | 0.03 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -70.8 | -29 | -176.5 | -69.8 | 117.2 | 0 | 0 | 0 | 112.8 | L912 C915 L916 D927 A934 S935 R1158 L1161 F1162 | L912-W931 HydrophobicContact CD2-CE3 3.85Å; L912-W931 HydrophobicContact CD2-CZ3 3.78Å; C915-W931 HydrophobicContact CB-CD2 3.51Å; C915-W931 HydrophobicContact CB-CE3 3.93Å; C915-W931 HydrophobicContact CB-CG 3.83Å; C915-W931 HydrophobicContact CB-CH2 4.34Å; C915-W931 HydrophobicContact CB-CZ2 3.98Å; C915-W931 HydrophobicContact CB-CZ3 4.32Å; L916-W931 HydrophobicContact CB-CB 4.32Å; L916-W931 HydrophobicContact CD1-CB 3.8Å; D927-W931 WeakPolarHBondContact O-CB 3.32Å; D927-W931 PolarHBondContact O-N 2.86Å; W931-A934 HydrophobicContact CE3-CB 4.38Å; W931-S935 WeakPolarHBondContact O-CB 3.32Å; W931-S935 PolarHBondContact O-N 3.14Å; W931-R1158 HydrophobicContact CZ2-CG 4.09Å; W931-L1161 HydrophobicContact CH2-CB 3.93Å; W931-L1161 HydrophobicContact CZ2-CB 4.2Å; W931-F1162 HydrophobicContact CH2-CB 4.09Å; W931-F1162 HydrophobicContact CZ3-CB 4.46Å |
| 932 | T | 90.2 | Very high | 88.8 | Confident | 27 Ų | 27 | 17.4 Ų | 17.4 | 17% | 0.166 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.7 | -50.7 | 173.4 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | L916 L928 F930 H936 L966 | L916-T932 VanDerWaalsContact CD1-OG1 3.28Å; L916-T932 WeakPolarHBondContact CD1-OG1 3.2Å; L928-T932 VanDerWaalsContact O-CB 3.28Å; L928-T932 WeakPolarHBondContact O-CB 3.45Å; L928-T932 PolarHBondContact O-N 3.2Å; L928-T932 PolarHBondContact O-OG1 3.22Å; F930-T932 VanDerWaalsContact C-N 3.34Å; F930-T932 PolarHBondContact O-N 2.87Å; T932-H936 PolarHBondContact O-N 2.83Å; T932-L966 HydrophobicContact CG2-CD1 4.36Å |
| 933 | V | 90.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 179.3 | 178 | 0 | 0 | 0 | 0 | 111.2 | N929 F930 H936 Y937 L966 L973 L1132 L1135 | N929-V933 WeakPolarHBondContact O-CG2 3.47Å; N929-V933 PolarHBondContact O-N 2.81Å; F930-V933 PolarHBondContact O-N 2.86Å; V933-H936 PolarHBondContact O-N 3.33Å; V933-Y937 HydrophobicContact CG1-CD2 3.8Å; V933-Y937 HydrophobicContact CG1-CE2 4.13Å; V933-Y937 WeakPolarHBondContact O-CD2 3.34Å; V933-Y937 PolarHBondContact O-N 2.87Å; V933-Y937 VanDerWaalsContact O-N 3.09Å; V933-L966 HydrophobicContact CG2-CD2 4.33Å; V933-L973 HydrophobicContact CG2-CD1 4.21Å; V933-L1132 HydrophobicContact CB-CD2 4.19Å; V933-L1132 HydrophobicContact CG2-CD2 4.2Å; V933-L1135 HydrophobicContact CG1-CB 4.13Å; V933-L1135 HydrophobicContact CG1-CD1 4.32Å |
| 934 | A | 91.3 | Very high | 88.2 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | F930 W931 H936 L938 L1135 F1162 | F930-A934 HydrophobicContact CE1-CB 4.43Å; F930-A934 VanDerWaalsContact O-CB 3.23Å; F930-A934 WeakPolarHBondContact O-CB 3.43Å; F930-A934 PolarHBondContact O-N 3.26Å; W931-A934 HydrophobicContact CE3-CB 4.38Å; A934-H936 VanDerWaalsContact C-N 3.34Å; A934-H936 PolarHBondContact O-N 3.06Å; A934-L938 WeakPolarHBondContact O-CB 3.27Å; A934-L938 WeakPolarHBondContact O-CD1 3.31Å; A934-L938 WeakPolarHBondContact O-CG 3.46Å; A934-L938 PolarHBondContact O-N 2.59Å; A934-L1135 HydrophobicContact CB-CD1 4.11Å; A934-L1135 HydrophobicContact CB-CD2 4.34Å; A934-F1162 HydrophobicContact CB-CD2 4.43Å; A934-F1162 HydrophobicContact CB-CE2 4.23Å |
| 935 | S | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 178.8 | -177.6 | 0 | 0 | 0 | 0 | 111.8 | G415 W931 Q939 | G415-S935 PolarHBondContact O-OG 2.79Å; G415-S935 VanDerWaalsContact O-OG 3.08Å; W931-S935 WeakPolarHBondContact O-CB 3.32Å; W931-S935 PolarHBondContact O-N 3.14Å; S935-Q939 VanDerWaalsContact O-CG 3.28Å; S935-Q939 WeakPolarHBondContact O-CG 3.31Å; S935-Q939 PolarHBondContact O-N 3.26Å; S935-Q939 PolarHBondContact O-NE2 2.94Å; S935-Q939 PolarHBondContact OG-NE2 3.14Å; S935-Q939 VanDerWaalsContact OG-NE2 3.13Å |
| 936 | H | 88.6 | Confident | 86.8 | Confident | 25 Ų | 25 | 33.7 Ų | 33.7 | 12% | 0.116 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -55.7 | 178.4 | -178.4 | 71.5 | 0 | 0 | 0 | 112 | T932 V933 A934 Q939 L940 N964 L966 E975 | T932-H936 PolarHBondContact O-N 2.83Å; V933-H936 PolarHBondContact O-N 3.33Å; A934-H936 VanDerWaalsContact C-N 3.34Å; A934-H936 PolarHBondContact O-N 3.06Å; H936-Q939 PolarHBondContact O-N 3.25Å; H936-L940 WeakPolarHBondContact O-CB 3.28Å; H936-L940 PolarHBondContact O-N 2.78Å; H936-N964 PolarHBondContact CE1-O 3.44Å; H936-L966 HydrophobicContact CB-CD1 4.23Å; H936-L966 PolarHBondContact CE1-N 3.17Å; H936-E975 IonicContact CD2-OE1 3.02Å; H936-E975 IonicContact CE1-OE1 3.01Å; H936-E975 PolarHBondContact CE1-OE1 3.35Å; H936-E975 VanDerWaalsContact CE1-OE1 3.22Å; H936-E975 IonicContact NE2-OE1 2.66Å; H936-E975 PolarHBondContact NE2-OE1 3.21Å; H936-E975 IonicContact NE2-OE2 2.78Å |
| 937 | Y | 89.3 | Confident | 85.8 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.7 | -34.9 | -175.3 | -82 | -72 | 0 | 0 | 0 | 113.2 | V933 Q939 L940 F941 L966 L973 S1136 | V933-Y937 HydrophobicContact CG1-CD2 3.8Å; V933-Y937 HydrophobicContact CG1-CE2 4.13Å; V933-Y937 WeakPolarHBondContact O-CD2 3.34Å; V933-Y937 PolarHBondContact O-N 2.87Å; V933-Y937 VanDerWaalsContact O-N 3.09Å; Y937-Q939 VanDerWaalsContact C-N 3.3Å; Y937-Q939 PolarHBondContact O-N 3.35Å; Y937-L940 PolarHBondContact O-N 3.07Å; Y937-F941 HydrophobicContact CD1-CD2 4.24Å; Y937-F941 AromaticContact CD1-CE2 3.84Å; Y937-F941 HydrophobicContact CD1-CE2 3.84Å; Y937-F941 WeakPolarHBondContact O-CB 3.1Å; Y937-F941 VanDerWaalsContact O-CD2 3.26Å; Y937-F941 WeakPolarHBondContact O-CD2 3.37Å; Y937-F941 PolarHBondContact O-N 3.06Å; Y937-L966 HydrophobicContact CE2-CD2 4.38Å; Y937-L973 WeakPolarHBondContact CE2-O 3.41Å; Y937-L973 PolarHBondContact OH-O 3.43Å; Y937-S1136 WeakPolarHBondContact CE1-O 3.14Å |
| 938 | L | 88.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 174.9 | -75.1 | 170.1 | 0 | 0 | 0 | 111.9 | L912 A934 A942 F1140 F1162 A1165 C1166 | L912-L938 HydrophobicContact CD1-CB 4.29Å; L912-L938 HydrophobicContact CD1-CD1 3.97Å; L912-L938 HydrophobicContact CD2-CD1 3.78Å; L912-L938 HydrophobicContact CG-CD1 4.48Å; A934-L938 WeakPolarHBondContact O-CB 3.27Å; A934-L938 WeakPolarHBondContact O-CD1 3.31Å; A934-L938 WeakPolarHBondContact O-CG 3.46Å; A934-L938 PolarHBondContact O-N 2.59Å; L938-A942 WeakPolarHBondContact O-CB 3.46Å; L938-A942 PolarHBondContact O-N 3.46Å; L938-F1140 HydrophobicContact CD2-CD1 3.72Å; L938-F1140 HydrophobicContact CD2-CE1 3.46Å; L938-F1140 VanDerWaalsContact CD2-CE1 3.46Å; L938-F1140 HydrophobicContact CD2-CZ 4.08Å; L938-F1140 HydrophobicContact CG-CE1 4.05Å; L938-F1162 HydrophobicContact CD1-CD2 4.48Å; L938-F1162 HydrophobicContact CD1-CE2 4.23Å; L938-A1165 HydrophobicContact CD1-CB 4.21Å; L938-C1166 HydrophobicContact CD2-CB 4.4Å; L938-C1166 VanDerWaalsContact CD2-SG 3.58Å |
| 939 | Q | 86.1 | Confident | 82.9 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.7 | -45 | 176.2 | -71.4 | 170.8 | 30.5 | 0 | 0 | 111.8 | G415 A416 P417 S935 H936 Y937 F941 A942 Q943 | G415-Q939 PolarHBondContact O-NE2 2.77Å; G415-Q939 PolarHBondContact O-OE1 2.77Å; A416-Q939 VanDerWaalsContact CA-NE2 3.28Å; P417-Q939 VanDerWaalsContact CD-OE1 3.23Å; S935-Q939 VanDerWaalsContact O-CG 3.28Å; S935-Q939 WeakPolarHBondContact O-CG 3.31Å; S935-Q939 PolarHBondContact O-N 3.26Å; S935-Q939 PolarHBondContact O-NE2 2.94Å; S935-Q939 PolarHBondContact OG-NE2 3.14Å; S935-Q939 VanDerWaalsContact OG-NE2 3.13Å; H936-Q939 PolarHBondContact O-N 3.25Å; Y937-Q939 VanDerWaalsContact C-N 3.3Å; Y937-Q939 PolarHBondContact O-N 3.35Å; Q939-F941 PolarHBondContact O-N 3.17Å; Q939-A942 PolarHBondContact O-N 3.27Å; Q939-Q943 WeakPolarHBondContact O-CB 3.27Å; Q939-Q943 VanDerWaalsContact O-CG 3.3Å; Q939-Q943 WeakPolarHBondContact O-CG 3.33Å; Q939-Q943 PolarHBondContact O-N 3.23Å |
| 940 | L | 86.4 | Confident | 81 | Confident | 55 Ų | 55 | 47.5 Ų | 47.5 | 29% | 0.288 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.1 | -47.1 | 179.8 | -173.1 | 149 | 0 | 0 | 0 | 111.6 | H936 Y937 A944 E975 | H936-L940 WeakPolarHBondContact O-CB 3.28Å; H936-L940 PolarHBondContact O-N 2.78Å; Y937-L940 PolarHBondContact O-N 3.07Å; L940-A944 WeakPolarHBondContact O-CB 3.33Å; L940-A944 PolarHBondContact O-N 2.91Å; L940-A944 VanDerWaalsContact O-N 3.09Å; L940-E975 HydrophobicContact CD1-CG 4.11Å |
| 941 | F | 86.1 | Confident | 78.8 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 30% | 0.303 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -72 | -34.3 | 178.2 | -80.9 | -81.6 | 0 | 0 | 0 | 112.9 | Y937 Q939 A944 R945 F1140 V1171 | Y937-F941 HydrophobicContact CD1-CD2 4.24Å; Y937-F941 AromaticContact CD1-CE2 3.84Å; Y937-F941 HydrophobicContact CD1-CE2 3.84Å; Y937-F941 WeakPolarHBondContact O-CB 3.1Å; Y937-F941 VanDerWaalsContact O-CD2 3.26Å; Y937-F941 WeakPolarHBondContact O-CD2 3.37Å; Y937-F941 PolarHBondContact O-N 3.06Å; Q939-F941 PolarHBondContact O-N 3.17Å; F941-A944 PolarHBondContact O-N 3.12Å; F941-R945 WeakPolarHBondContact O-CB 3.24Å; F941-R945 PolarHBondContact O-N 3Å; F941-F1140 HydrophobicContact CB-CE2 4.21Å; F941-F1140 HydrophobicContact CB-CZ 4.16Å; F941-F1140 HydrophobicContact CD2-CE2 4.11Å; F941-F1140 AromaticContact CD2-CZ 3.71Å; F941-F1140 HydrophobicContact CD2-CZ 3.71Å; F941-F1140 HydrophobicContact CE2-CZ 4.36Å; F941-F1140 HydrophobicContact CG-CE2 4.07Å; F941-F1140 HydrophobicContact CG-CZ 4.05Å; F941-V1171 HydrophobicContact CB-CG1 4.18Å; F941-V1171 HydrophobicContact CB-CG2 4.34Å |
| 942 | A | 84.9 | Confident | 76.5 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | L938 Q939 R945 Q946 V1171 | L938-A942 WeakPolarHBondContact O-CB 3.46Å; L938-A942 PolarHBondContact O-N 3.46Å; Q939-A942 PolarHBondContact O-N 3.27Å; A942-R945 PolarHBondContact O-N 2.99Å; A942-Q946 WeakPolarHBondContact O-CG 3.47Å; A942-Q946 PolarHBondContact O-N 2.87Å; A942-Q946 VanDerWaalsContact O-N 3.08Å; A942-V1171 HydrophobicContact CB-CG2 3.94Å |
| 943 | Q | 82.9 | Confident | 73.9 | Confident | 84 Ų | 84 | 62.1 Ų | 62.1 | 39% | 0.393 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 176.4 | -72.1 | 174.4 | 10.7 | 0 | 0 | 111.8 | Q939 R945 Q946 L947 | Q939-Q943 WeakPolarHBondContact O-CB 3.27Å; Q939-Q943 VanDerWaalsContact O-CG 3.3Å; Q939-Q943 WeakPolarHBondContact O-CG 3.33Å; Q939-Q943 PolarHBondContact O-N 3.23Å; Q943-R945 PolarHBondContact O-N 2.97Å; Q943-Q946 PolarHBondContact O-N 3.2Å; Q943-L947 PolarHBondContact O-N 3.13Å; Q943-L947 VanDerWaalsContact O-N 3.15Å |
| 944 | A | 81.4 | Confident | 71.1 | Confident | 54 Ų | 54 | 65.9 Ų | 65.9 | 45% | 0.446 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L940 F941 S948 | L940-A944 WeakPolarHBondContact O-CB 3.33Å; L940-A944 PolarHBondContact O-N 2.91Å; L940-A944 VanDerWaalsContact O-N 3.09Å; F941-A944 PolarHBondContact O-N 3.12Å; A944-S948 PolarHBondContact O-N 2.77Å |
| 945 | R | 76.3 | Confident | 68.5 | Low | 95 Ų | 95 | 71.6 Ų | 71.6 | 36% | 0.358 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 177.7 | -161.2 | 174.1 | -167 | -171.8 | 0.2 | 112.4 | F941 A942 Q943 L947 S948 V949 G1170 E1173 | F941-R945 WeakPolarHBondContact O-CB 3.24Å; F941-R945 PolarHBondContact O-N 3Å; A942-R945 PolarHBondContact O-N 2.99Å; Q943-R945 PolarHBondContact O-N 2.97Å; R945-L947 VanDerWaalsContact C-N 3.31Å; R945-L947 PolarHBondContact O-N 3.41Å; R945-S948 PolarHBondContact O-N 2.67Å; R945-S948 PolarHBondContact O-OG 2.92Å; R945-V949 WeakPolarHBondContact O-CG2 3.3Å; R945-V949 PolarHBondContact O-N 3.33Å; R945-G1170 WeakPolarHBondContact CD-O 3.25Å; R945-G1170 PolarHBondContact NH1-O 3.26Å; R945-E1173 IonicContact CZ-OE1 3.36Å; R945-E1173 IonicContact NH1-OE1 2.78Å; R945-E1173 PolarHBondContact NH1-OE1 3.14Å; R945-E1173 IonicContact NH2-OE1 3.98Å; R945-E1173 PolarHBondContact NH2-OE1 2.91Å; R945-E1173 IonicContact NH2-OE2 2.9Å |
| 946 | Q | 71.6 | Confident | 65.8 | Low | 135 Ų | 135 | 80 Ų | 80 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.3 | -41.9 | 177 | -72 | 175.6 | -3.9 | 0 | 0 | 112.2 | A942 Q943 S948 V949 T950 | A942-Q946 WeakPolarHBondContact O-CG 3.47Å; A942-Q946 PolarHBondContact O-N 2.87Å; A942-Q946 VanDerWaalsContact O-N 3.08Å; Q943-Q946 PolarHBondContact O-N 3.2Å; Q946-S948 VanDerWaalsContact C-N 3.35Å; Q946-S948 PolarHBondContact O-N 2.62Å; Q946-V949 PolarHBondContact O-N 2.95Å; Q946-T950 PolarHBondContact O-N 2.92Å; Q946-T950 PolarHBondContact O-OG1 2.93Å |
| 947 | L | 66.8 | Low | 63.2 | Low | 98 Ų | 98 | 88.7 Ų | 88.7 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 176.8 | -74.3 | 160.3 | 0 | 0 | 0 | 112.8 | Q943 R945 V949 T950 S951 | Q943-L947 PolarHBondContact O-N 3.13Å; Q943-L947 VanDerWaalsContact O-N 3.15Å; R945-L947 VanDerWaalsContact C-N 3.31Å; R945-L947 PolarHBondContact O-N 3.41Å; L947-V949 VanDerWaalsContact C-N 3.3Å; L947-V949 PolarHBondContact O-N 2.82Å; L947-T950 WeakPolarHBondContact CA-OG1 3.5Å; L947-T950 PolarHBondContact O-N 2.81Å; L947-T950 PolarHBondContact O-OG1 2.91Å; L947-S951 PolarHBondContact O-N 2.89Å |
| 948 | S | 59.7 | Low | 60.4 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -26 | 178 | 70.6 | 0 | 0 | 0 | 0 | 113.8 | A944 R945 Q946 S951 | A944-S948 PolarHBondContact O-N 2.77Å; R945-S948 PolarHBondContact O-N 2.67Å; R945-S948 PolarHBondContact O-OG 2.92Å; Q946-S948 VanDerWaalsContact C-N 3.35Å; Q946-S948 PolarHBondContact O-N 2.62Å; S948-S951 PolarHBondContact O-OG 3.42Å |
| 949 | V | 57 | Low | 57.7 | Low | 110 Ų | 110 | 102.9 Ų | 102.9 | 67% | 0.667 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -82.7 | -30.9 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | R945 Q946 L947 | R945-V949 WeakPolarHBondContact O-CG2 3.3Å; R945-V949 PolarHBondContact O-N 3.33Å; Q946-V949 PolarHBondContact O-N 2.95Å; L947-V949 VanDerWaalsContact C-N 3.3Å; L947-V949 PolarHBondContact O-N 2.82Å |
| 950 | T | 49.4 | Very low | 55.2 | Low | 98 Ų | 98 | 106.1 Ų | 106.1 | 60% | 0.601 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -78.1 | -17.3 | 177.9 | 48 | 0 | 0 | 0 | 0 | 114.3 | Q946 L947 E952 | Q946-T950 PolarHBondContact O-N 2.92Å; Q946-T950 PolarHBondContact O-OG1 2.93Å; L947-T950 WeakPolarHBondContact CA-OG1 3.5Å; L947-T950 PolarHBondContact O-N 2.81Å; L947-T950 PolarHBondContact O-OG1 2.91Å; T950-E952 VanDerWaalsContact C-N 3.28Å; T950-E952 PolarHBondContact O-N 2.83Å |
| 951 | S | 44.6 | Very low | 52.8 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 66% | 0.657 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 1.4 | -176.7 | 70.3 | 0 | 0 | 0 | 0 | 115.4 | L947 S948 G953 | L947-S951 PolarHBondContact O-N 2.89Å; S948-S951 PolarHBondContact O-OG 3.42Å; S951-G953 VanDerWaalsContact C-N 3.31Å |
| 952 | E | 44.5 | Very low | 50.9 | Low | 191 Ų | 191 | 107.9 Ų | 107.9 | 89% | 0.893 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 0.7 | 172.1 | -70.1 | -164.4 | 157.8 | 0 | 0 | 113.5 | T950 | T950-E952 VanDerWaalsContact C-N 3.28Å; T950-E952 PolarHBondContact O-N 2.83Å |
| 953 | G | 35.5 | Very low | 49.5 | Very low | 61 Ų | 61 | 113 Ų | 113 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | S | Bend | trans | -144.8 | 89.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S951 | S951-G953 VanDerWaalsContact C-N 3.31Š|
| 954 | G | 32.9 | Very low | 48.6 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 81% | 0.814 | 65% | 0.654 | S | S | * | * | trans | 86.8 | 128.1 | 157.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 955 | S | 37.1 | Very low | 48.4 | Very low | 120 Ų | 120 | 111.3 Ų | 111.3 | 84% | 0.839 | 64% | 0.639 | S | S | * | * | trans | -68.1 | 117.4 | 178.7 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 956 | E | 31.8 | Very low | 48.7 | Very low | 176 Ų | 176 | 107 Ų | 107 | 82% | 0.822 | 62% | 0.623 | S | S | * | * | trans | -143.2 | 124.9 | 143.4 | -76.8 | -160.8 | 160 | 0 | 0 | 109.1 | T958 | E956-T958 VanDerWaalsContact C-N 3.31Å; E956-T958 PolarHBondContact O-N 2.83Å; E956-T958 PolarHBondContact O-OG1 2.77Å | ||
| 957 | E | 35.3 | Very low | 49.1 | Very low | 208 Ų | 208 | 101.7 Ų | 101.7 | 97% | 0.972 | 60% | 0.599 | S | S | * | * | trans | -60.9 | 89.1 | 174.3 | -71.4 | 178.9 | 154.4 | 0 | 0 | 109.9 | ||||
| 958 | T | 30.3 | Very low | 49.7 | Very low | 128 Ų | 128 | 98.8 Ų | 98.8 | 79% | 0.785 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 123.5 | 170.6 | -12.1 | 0 | 0 | 0 | 0 | 107.9 | E956 | E956-T958 VanDerWaalsContact C-N 3.31Å; E956-T958 PolarHBondContact O-N 2.83Å; E956-T958 PolarHBondContact O-OG1 2.77Å |
| 959 | Q | 31.1 | Very low | 50.7 | Low | 177 Ų | 177 | 97 Ų | 97 | 83% | 0.827 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -49 | 142.5 | 175.8 | -72.1 | -176.3 | -12.8 | 0 | 0 | 111 | ||
| 960 | P | 33 | Very low | 51.8 | Low | 112 Ų | 112 | 93.2 Ų | 93.2 | 73% | 0.727 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 131.8 | 177.3 | 24.1 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 961 | P | 37.1 | Very low | 53.5 | Low | 69 Ų | 69 | 89 Ų | 89 | 45% | 0.448 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 143.2 | -179 | 23.2 | -32.1 | 0 | 0 | 0 | 110 | Q963 | P961-Q963 WeakPolarHBondContact O-CG 3.23Å; P961-Q963 PolarHBondContact O-N 2.9Å |
| 962 | S | 46.3 | Very low | 55.4 | Low | 91 Ų | 91 | 85 Ų | 85 | 64% | 0.636 | 49% | 0.491 | S | S | * | . | trans | -56 | 103.1 | 178.8 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | N964 | S962-N964 PolarHBondContact O-N 2.95Š| ||
| 963 | Q | 54.3 | Low | 57.3 | Low | 121 Ų | 121 | 76.9 Ų | 76.9 | 57% | 0.565 | 45% | 0.453 | S | S | * | . | trans | -77.1 | 111.3 | -177.6 | -68.8 | 179.6 | -7.9 | 0 | 0 | 109.5 | P961 H965 | P961-Q963 WeakPolarHBondContact O-CG 3.23Å; P961-Q963 PolarHBondContact O-N 2.9Å; Q963-H965 PolarHBondContact O-N 2.96Å | ||
| 964 | N | 65.5 | Low | 59.7 | Low | 75 Ų | 75 | 74.1 Ų | 74.1 | 40% | 0.401 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 120.5 | 160.5 | -70.8 | -33.9 | 0 | 0 | 0 | 106.5 | H936 S962 | H936-N964 PolarHBondContact CE1-O 3.44Å; S962-N964 PolarHBondContact O-N 2.95Å |
| 965 | H | 76.6 | Confident | 62.2 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 13% | 0.13 | 39% | 0.39 | C | S | . | . | P | Polyproline II helix | trans | -86 | 162.1 | 178.7 | -66.1 | -60.2 | 0 | 0 | 0 | 111.9 | Q436 Q963 E975 Y978 | Q436-H965 PolarHBondContact NE2-O 2.94Å; Q963-H965 PolarHBondContact O-N 2.96Å; H965-E975 IonicContact ND1-OE1 2.97Å; H965-E975 IonicContact ND1-OE2 2.86Å; H965-Y978 HydrophobicContact CB-CD1 4.04Å; H965-Y978 HydrophobicContact CB-CD2 3.91Å; H965-Y978 HydrophobicContact CB-CE1 4.16Å; H965-Y978 HydrophobicContact CB-CE2 4.02Å; H965-Y978 HydrophobicContact CB-CG 3.92Å; H965-Y978 AromaticContact CD2-CD2 3.35Å; H965-Y978 WeakPolarHBondContact CD2-CD2 3.3Å; H965-Y978 AromaticContact CD2-CE2 3.73Å; H965-Y978 AromaticContact CG-CD2 3.54Å; H965-Y978 AromaticContact CG-CG 3.74Å; H965-Y978 AromaticContact NE2-CD2 3.92Å |
| 966 | L | 82.1 | Confident | 64.5 | Low | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 139.5 | 171.6 | -172.6 | 65.7 | 0 | 0 | 0 | 110.5 | T932 V933 H936 Y937 I968 H970 L973 C974 | T932-L966 HydrophobicContact CG2-CD1 4.36Å; V933-L966 HydrophobicContact CG2-CD2 4.33Å; H936-L966 HydrophobicContact CB-CD1 4.23Å; H936-L966 PolarHBondContact CE1-N 3.17Å; Y937-L966 HydrophobicContact CE2-CD2 4.38Å; L966-I968 PolarHBondContact O-N 3.32Å; L966-H970 HydrophobicContact CD2-CB 3.65Å; L966-H970 HydrophobicContact CG-CB 4.09Å; L966-L973 HydrophobicContact CD2-CB 4.1Å; L966-C974 PolarHBondContact O-SG 3.01Å |
| 967 | D | 79.8 | Confident | 66.9 | Low | 22 Ų | 22 | 62.6 Ų | 62.6 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 136.6 | 179.1 | -74.1 | -33 | 0 | 0 | 0 | 111.7 | R305 Q436 C969 H970 | R305-D967 IonicContact CZ-OD1 3.09Å; R305-D967 IonicContact NH1-OD1 2.86Å; R305-D967 PolarHBondContact NH1-OD1 2.88Å; R305-D967 IonicContact NH1-OD2 3.62Å; R305-D967 PolarHBondContact NH1-OD2 3.33Å; R305-D967 IonicContact NH2-OD1 2.83Å; Q436-D967 VanDerWaalsContact CD-OD1 3.31Å; Q436-D967 WeakPolarHBondContact CG-OD1 3.28Å; Q436-D967 PolarHBondContact NE2-OD1 2.86Å; D967-C969 PolarHBondContact O-N 2.91Å; D967-H970 PolarHBondContact O-N 3.34Å; D967-H970 PolarHBondContact O-ND1 2.99Å |
| 968 | I | 79.8 | Confident | 69.2 | Low | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.195 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -57.9 | -22.1 | -175.7 | -62.3 | 161.3 | 0 | 0 | 0 | 113.3 | L966 H970 D971 Y978 F982 | L966-I968 PolarHBondContact O-N 3.32Å; I968-H970 PolarHBondContact O-N 2.84Å; I968-D971 PolarHBondContact O-N 2.86Å; I968-Y978 HydrophobicContact CD1-CE1 4.41Å; I968-Y978 WeakPolarHBondContact CD1-OH 3.38Å; I968-Y978 HydrophobicContact CG1-CE1 3.71Å; I968-F982 HydrophobicContact CD1-CD2 3.67Å; I968-F982 HydrophobicContact CD1-CE2 3.7Å; I968-F982 HydrophobicContact CD1-CG 4.38Å; I968-F982 HydrophobicContact CD1-CZ 4.43Å; I968-F982 HydrophobicContact CG1-CD2 4.42Å; I968-F982 HydrophobicContact CG2-CD1 4.29Å; I968-F982 HydrophobicContact CG2-CE1 3.89Å; I968-F982 HydrophobicContact CG2-CE2 4.21Å; I968-F982 HydrophobicContact CG2-CZ 3.85Å |
| 969 | C | 80.3 | Confident | 71.8 | Confident | 33 Ų | 33 | 47.4 Ų | 47.4 | 22% | 0.223 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -59.4 | -13.4 | 173.8 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | F169 A303 D967 | F169-C969 VanDerWaalsContact CE1-O 3.31Å; F169-C969 WeakPolarHBondContact CE1-O 3.11Å; A303-C969 VanDerWaalsContact O-CB 3.3Å; A303-C969 WeakPolarHBondContact O-CB 3.44Å; D967-C969 PolarHBondContact O-N 2.91Å |
| 970 | H | 81.4 | Confident | 74.4 | Confident | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -94.1 | -1.3 | 174.2 | -56 | 89.6 | 0 | 0 | 0 | 113.9 | L966 D967 I968 I972 L973 | L966-H970 HydrophobicContact CD2-CB 3.65Å; L966-H970 HydrophobicContact CG-CB 4.09Å; D967-H970 PolarHBondContact O-N 3.34Å; D967-H970 PolarHBondContact O-ND1 2.99Å; I968-H970 PolarHBondContact O-N 2.84Å; H970-I972 PolarHBondContact O-N 3.11Å; H970-L973 HydrophobicContact CB-CB 3.99Å; H970-L973 HydrophobicContact CB-CD1 4.19Å; H970-L973 VanDerWaalsContact O-CB 3.28Å; H970-L973 WeakPolarHBondContact O-CB 3.42Å; H970-L973 WeakPolarHBondContact O-CG 3.47Å; H970-L973 PolarHBondContact O-N 3.39Å |
| 971 | D | 85.1 | Confident | 76.8 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.053 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | 48.3 | -112.2 | 170.7 | -171 | 50 | 0 | 0 | 0 | 114.2 | F169 R262 I968 L973 C974 F979 | F169-D971 HydrophobicContact CD1-CB 3.61Å; F169-D971 HydrophobicContact CE1-CB 3.73Å; R262-D971 WeakPolarHBondContact CD-OD2 3.49Å; R262-D971 IonicContact CZ-OD2 3.72Å; R262-D971 IonicContact NE-OD2 2.82Å; R262-D971 IonicContact NH1-OD2 2.67Å; R262-D971 PolarHBondContact NH1-OD2 3.44Å; I968-D971 PolarHBondContact O-N 2.86Å; D971-L973 PolarHBondContact O-N 2.9Å; D971-C974 WeakPolarHBondContact O-CB 3.43Å; D971-C974 PolarHBondContact O-N 3.28Å; D971-C974 PolarHBondContact O-SG 2.83Å; D971-F979 WeakPolarHBondContact O-CD2 3.49Å; D971-F979 WeakPolarHBondContact OD1-CE2 3.45Å |
| 972 | I | 84.1 | Confident | 78.9 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.056 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -59.6 | -20.9 | -177.9 | -66.1 | 161.5 | 0 | 0 | 0 | 112.4 | H970 C974 A1096 K1100 L1112 W1115 | H970-I972 PolarHBondContact O-N 3.11Å; I972-C974 VanDerWaalsContact C-N 3.25Å; I972-C974 PolarHBondContact O-N 2.62Å; I972-A1096 HydrophobicContact CD1-CB 4.26Å; I972-A1096 HydrophobicContact CG2-CB 4.38Å; I972-K1100 HydrophobicContact CG2-CG 4.22Å; I972-K1100 WeakPolarHBondContact O-CE 3.42Å; I972-K1100 PolarHBondContact O-NZ 3.29Å; I972-L1112 HydrophobicContact CG2-CD2 4.37Å; I972-W1115 HydrophobicContact CD1-CH2 3.98Å; I972-W1115 HydrophobicContact CD1-CZ3 4.44Å; I972-W1115 HydrophobicContact CG2-CH2 4.41Å; I972-W1115 HydrophobicContact CG2-CZ3 3.9Å |
| 973 | L | 85 | Confident | 80.7 | Confident | 20 Ų | 20 | 33.3 Ų | 33.3 | 11% | 0.105 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -75.2 | -11.7 | 178.4 | -57.3 | 175.7 | 0 | 0 | 0 | 113 | V933 Y937 L966 H970 D971 L1132 V1133 | V933-L973 HydrophobicContact CG2-CD1 4.21Å; Y937-L973 WeakPolarHBondContact CE2-O 3.41Å; Y937-L973 PolarHBondContact OH-O 3.43Å; L966-L973 HydrophobicContact CD2-CB 4.1Å; H970-L973 HydrophobicContact CB-CB 3.99Å; H970-L973 HydrophobicContact CB-CD1 4.19Å; H970-L973 VanDerWaalsContact O-CB 3.28Å; H970-L973 WeakPolarHBondContact O-CB 3.42Å; H970-L973 WeakPolarHBondContact O-CG 3.47Å; H970-L973 PolarHBondContact O-N 3.39Å; D971-L973 PolarHBondContact O-N 2.9Å; L973-L1132 HydrophobicContact CD1-CB 3.77Å; L973-L1132 HydrophobicContact CD1-CD1 4.01Å; L973-L1132 HydrophobicContact CD1-CG 4.46Å; L973-L1132 HydrophobicContact CD2-CB 3.91Å; L973-V1133 HydrophobicContact CD2-CG2 4.04Å |
| 974 | C | 85.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -70.4 | 165.6 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | L966 D971 I972 Y978 K1100 | L966-C974 PolarHBondContact O-SG 3.01Å; D971-C974 WeakPolarHBondContact O-CB 3.43Å; D971-C974 PolarHBondContact O-N 3.28Å; D971-C974 PolarHBondContact O-SG 2.83Å; I972-C974 VanDerWaalsContact C-N 3.25Å; I972-C974 PolarHBondContact O-N 2.62Å; C974-Y978 HydrophobicContact CB-CD1 4.23Å; C974-K1100 PolarHBondContact O-NZ 2.98Å |
| 975 | E | 84.5 | Confident | 82.8 | Confident | 20 Ų | 20 | 27.4 Ų | 27.4 | 9% | 0.093 | 15% | 0.147 | C | C | . | . | trans | -62.9 | 144.6 | 175.8 | -58 | 93.3 | 151.3 | 0 | 0 | 111.3 | H936 L940 H965 S977 Y978 F979 | H936-E975 IonicContact CD2-OE1 3.02Å; H936-E975 IonicContact CE1-OE1 3.01Å; H936-E975 PolarHBondContact CE1-OE1 3.35Å; H936-E975 VanDerWaalsContact CE1-OE1 3.22Å; H936-E975 IonicContact NE2-OE1 2.66Å; H936-E975 PolarHBondContact NE2-OE1 3.21Å; H936-E975 IonicContact NE2-OE2 2.78Å; L940-E975 HydrophobicContact CD1-CG 4.11Å; H965-E975 IonicContact ND1-OE1 2.97Å; H965-E975 IonicContact ND1-OE2 2.86Å; E975-S977 VanDerWaalsContact C-N 3.32Å; E975-S977 PolarHBondContact O-N 3.24Å; E975-Y978 PolarHBondContact O-N 3.15Å; E975-F979 WeakPolarHBondContact O-CB 3.3Å; E975-F979 PolarHBondContact O-N 3.18Å | ||
| 976 | S | 85 | Confident | 83 | Confident | 38 Ų | 38 | 26.7 Ų | 26.7 | 27% | 0.266 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -58.8 | -40.2 | -175.2 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | Q980 K1100 | S976-Q980 VanDerWaalsContact O-CB 3.23Å; S976-Q980 WeakPolarHBondContact O-CB 3.23Å; S976-Q980 PolarHBondContact O-N 3.33Å; S976-K1100 WeakPolarHBondContact CB-O 3.24Å; S976-K1100 WeakPolarHBondContact OG-CD 3.44Å |
| 977 | S | 82.7 | Confident | 83 | Confident | 75 Ų | 75 | 26.4 Ų | 26.4 | 52% | 0.524 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -66.3 | -49 | 179.4 | 50.3 | 0 | 0 | 0 | 0 | 112.2 | E975 Q980 K981 | E975-S977 VanDerWaalsContact C-N 3.32Å; E975-S977 PolarHBondContact O-N 3.24Å; S977-Q980 PolarHBondContact O-N 3.06Å; S977-K981 WeakPolarHBondContact O-CB 3.3Å; S977-K981 PolarHBondContact O-N 2.67Å |
| 978 | Y | 83.3 | Confident | 83 | Confident | 12 Ų | 12 | 28.9 Ų | 28.9 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 177.9 | -177.7 | -105.8 | 0 | 0 | 0 | 111.3 | I439 H965 I968 C974 E975 K981 F982 | I439-Y978 HydrophobicContact CD1-CD2 3.68Å; I439-Y978 HydrophobicContact CD1-CE2 3.27Å; I439-Y978 HydrophobicContact CG1-CE2 3.9Å; H965-Y978 HydrophobicContact CB-CD1 4.04Å; H965-Y978 HydrophobicContact CB-CD2 3.91Å; H965-Y978 HydrophobicContact CB-CE1 4.16Å; H965-Y978 HydrophobicContact CB-CE2 4.02Å; H965-Y978 HydrophobicContact CB-CG 3.92Å; H965-Y978 AromaticContact CD2-CD2 3.35Å; H965-Y978 WeakPolarHBondContact CD2-CD2 3.3Å; H965-Y978 AromaticContact CD2-CE2 3.73Å; H965-Y978 AromaticContact CG-CD2 3.54Å; H965-Y978 AromaticContact CG-CG 3.74Å; H965-Y978 AromaticContact NE2-CD2 3.92Å; I968-Y978 HydrophobicContact CD1-CE1 4.41Å; I968-Y978 WeakPolarHBondContact CD1-OH 3.38Å; I968-Y978 HydrophobicContact CG1-CE1 3.71Å; C974-Y978 HydrophobicContact CB-CD1 4.23Å; E975-Y978 PolarHBondContact O-N 3.15Å; Y978-K981 PolarHBondContact O-N 3.06Å; Y978-F982 PolarHBondContact O-N 2.99Å |
| 979 | F | 85.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.022 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -48.7 | 176 | -173.8 | -102.5 | 0 | 0 | 0 | 111.8 | D971 E975 K981 F982 Q983 W1097 K1100 V1101 | D971-F979 WeakPolarHBondContact O-CD2 3.49Å; D971-F979 WeakPolarHBondContact OD1-CE2 3.45Å; E975-F979 WeakPolarHBondContact O-CB 3.3Å; E975-F979 PolarHBondContact O-N 3.18Å; F979-K981 VanDerWaalsContact C-N 3.33Å; F979-K981 PolarHBondContact O-N 2.74Å; F979-F982 PolarHBondContact O-N 3.17Å; F979-Q983 HydrophobicContact CD1-CG 3.97Å; F979-Q983 HydrophobicContact CE1-CG 3.67Å; F979-Q983 HydrophobicContact CE2-CG 4.42Å; F979-Q983 HydrophobicContact CG-CG 4.48Å; F979-Q983 HydrophobicContact CZ-CG 3.92Å; F979-Q983 VanDerWaalsContact CZ-NE2 3.33Å; F979-Q983 VanDerWaalsContact O-CG 3.27Å; F979-Q983 WeakPolarHBondContact O-CG 3.31Å; F979-Q983 PolarHBondContact O-N 2.87Å; F979-W1097 AromaticContact CE1-CD1 3.72Å; F979-W1097 HydrophobicContact CE1-CG 4.44Å; F979-W1097 AromaticContact CE1-NE1 3.93Å; F979-W1097 AromaticContact CZ-CD1 3.63Å; F979-W1097 AromaticContact CZ-NE1 3.97Å; F979-K1100 HydrophobicContact CD1-CB 3.86Å; F979-K1100 HydrophobicContact CE1-CB 4.18Å; F979-V1101 HydrophobicContact CD1-CG2 4.04Å; F979-V1101 HydrophobicContact CE1-CG2 3.89Å |
| 980 | Q | 85.6 | Confident | 82.7 | Confident | 66 Ų | 66 | 26.5 Ų | 26.5 | 31% | 0.308 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -59.6 | -43 | 178.3 | -174 | -174.9 | 16.1 | 0 | 0 | 111.7 | S976 S977 Q983 L984 L1010 V1101 | S976-Q980 VanDerWaalsContact O-CB 3.23Å; S976-Q980 WeakPolarHBondContact O-CB 3.23Å; S976-Q980 PolarHBondContact O-N 3.33Å; S977-Q980 PolarHBondContact O-N 3.06Å; Q980-Q983 PolarHBondContact O-N 2.94Å; Q980-L984 HydrophobicContact CG-CD1 4.31Å; Q980-L984 WeakPolarHBondContact O-CB 3.39Å; Q980-L984 WeakPolarHBondContact O-CG 3.41Å; Q980-L984 PolarHBondContact O-N 3Å; Q980-L1010 HydrophobicContact CG-CD2 4.38Å; Q980-L1010 PolarHBondContact NE2-O 2.89Å; Q980-V1101 HydrophobicContact CG-CG1 4.47Å; Q980-V1101 PolarHBondContact NE2-O 3.32Å |
| 981 | K | 82.6 | Confident | 82.6 | Confident | 60 Ų | 60 | 25.8 Ų | 25.8 | 26% | 0.261 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.6 | -165.6 | -176.6 | 177.8 | 179.2 | 0 | 111.5 | I439 E442 S977 Y978 F979 Q983 L984 D985 | I439-K981 HydrophobicContact CB-CD 4.5Å; I439-K981 HydrophobicContact CD1-CB 4.44Å; I439-K981 HydrophobicContact CD1-CD 4.26Å; I439-K981 HydrophobicContact CD1-CG 4.42Å; I439-K981 HydrophobicContact CG2-CD 3.92Å; I439-K981 HydrophobicContact CG2-CG 3.98Å; E442-K981 VanDerWaalsContact CD-NZ 3.31Å; E442-K981 IonicContact OE1-NZ 3.96Å; E442-K981 PolarHBondContact OE1-NZ 3.34Å; S977-K981 WeakPolarHBondContact O-CB 3.3Å; S977-K981 PolarHBondContact O-N 2.67Å; Y978-K981 PolarHBondContact O-N 3.06Å; F979-K981 VanDerWaalsContact C-N 3.33Å; F979-K981 PolarHBondContact O-N 2.74Å; K981-Q983 PolarHBondContact O-N 2.86Å; K981-L984 WeakPolarHBondContact O-CB 3.4Å; K981-L984 PolarHBondContact O-N 2.92Å; K981-D985 PolarHBondContact O-N 3.1Å |
| 982 | F | 81 | Confident | 82.1 | Confident | 27 Ų | 27 | 28.8 Ų | 28.8 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 175.5 | 178.5 | -99.9 | 0 | 0 | 0 | 112.8 | K261 I439 I968 Y978 F979 L984 D985 R986 | K261-F982 HydrophobicContact CD-CZ 4.48Å; K261-F982 HydrophobicContact CG-CZ 4.22Å; I439-F982 HydrophobicContact CD1-CB 4.24Å; I968-F982 HydrophobicContact CD1-CD2 3.67Å; I968-F982 HydrophobicContact CD1-CE2 3.7Å; I968-F982 HydrophobicContact CD1-CG 4.38Å; I968-F982 HydrophobicContact CD1-CZ 4.43Å; I968-F982 HydrophobicContact CG1-CD2 4.42Å; I968-F982 HydrophobicContact CG2-CD1 4.29Å; I968-F982 HydrophobicContact CG2-CE1 3.89Å; I968-F982 HydrophobicContact CG2-CE2 4.21Å; I968-F982 HydrophobicContact CG2-CZ 3.85Å; Y978-F982 PolarHBondContact O-N 2.99Å; F979-F982 PolarHBondContact O-N 3.17Å; F982-L984 VanDerWaalsContact C-N 3.31Å; F982-L984 PolarHBondContact O-N 3.17Å; F982-D985 PolarHBondContact O-N 3.42Å; F982-R986 PolarHBondContact O-N 3.43Å |
| 983 | Q | 84.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.8 | -38.4 | 174.8 | -65.2 | -58.7 | -52.3 | 0 | 0 | 111.4 | F979 Q980 K981 R986 V987 L1010 W1097 V1101 | F979-Q983 HydrophobicContact CD1-CG 3.97Å; F979-Q983 HydrophobicContact CE1-CG 3.67Å; F979-Q983 HydrophobicContact CE2-CG 4.42Å; F979-Q983 HydrophobicContact CG-CG 4.48Å; F979-Q983 HydrophobicContact CZ-CG 3.92Å; F979-Q983 VanDerWaalsContact CZ-NE2 3.33Å; F979-Q983 VanDerWaalsContact O-CG 3.27Å; F979-Q983 WeakPolarHBondContact O-CG 3.31Å; F979-Q983 PolarHBondContact O-N 2.87Å; Q980-Q983 PolarHBondContact O-N 2.94Å; K981-Q983 PolarHBondContact O-N 2.86Å; Q983-R986 WeakPolarHBondContact O-CB 3.22Å; Q983-R986 PolarHBondContact O-N 2.88Å; Q983-V987 WeakPolarHBondContact O-CG2 3.2Å; Q983-V987 PolarHBondContact O-N 2.96Å; Q983-L1010 HydrophobicContact CB-CD2 3.72Å; Q983-W1097 VanDerWaalsContact OE1-NE1 3.08Å; Q983-V1101 HydrophobicContact CG-CG2 4.28Å |
| 984 | L | 83.9 | Confident | 81 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 12% | 0.12 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 173.1 | -78.4 | 165.4 | 0 | 0 | 0 | 111.2 | Q980 K981 F982 R986 V987 H988 L1010 Q1012 | Q980-L984 HydrophobicContact CG-CD1 4.31Å; Q980-L984 WeakPolarHBondContact O-CB 3.39Å; Q980-L984 WeakPolarHBondContact O-CG 3.41Å; Q980-L984 PolarHBondContact O-N 3Å; K981-L984 WeakPolarHBondContact O-CB 3.4Å; K981-L984 PolarHBondContact O-N 2.92Å; F982-L984 VanDerWaalsContact C-N 3.31Å; F982-L984 PolarHBondContact O-N 3.17Å; L984-R986 PolarHBondContact O-N 3.23Å; L984-V987 CarbonylContact O-C 3.46Å; L984-V987 WeakPolarHBondContact O-CA 3.24Å; L984-V987 PolarHBondContact O-N 2.89Å; L984-H988 VanDerWaalsContact C-ND1 3.29Å; L984-H988 PolarHBondContact O-N 2.8Å; L984-H988 PolarHBondContact O-ND1 2.86Å; L984-L1010 HydrophobicContact CD2-CB 3.94Å; L984-L1010 HydrophobicContact CD2-CD1 3.94Å; L984-L1010 HydrophobicContact CD2-CG 4.36Å; L984-L1010 HydrophobicContact CG-CD1 4.34Å; L984-L1010 HydrophobicContact CG-CD2 4.3Å; L984-Q1012 HydrophobicContact CD2-CG 3.54Å |
| 985 | D | 79.8 | Confident | 80.2 | Confident | 48 Ų | 48 | 34.6 Ų | 34.6 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.7 | -41 | 177.5 | -85.4 | 27.3 | 0 | 0 | 0 | 112.1 | I439 K981 F982 H988 L989 | I439-D985 WeakPolarHBondContact CG2-OD2 3.33Å; K981-D985 PolarHBondContact O-N 3.1Å; F982-D985 PolarHBondContact O-N 3.42Å; D985-H988 PolarHBondContact O-N 2.86Å; D985-L989 PolarHBondContact O-N 3.22Å |
| 986 | R | 80.9 | Confident | 79.8 | Confident | 14 Ų | 14 | 35.4 Ų | 35.4 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 173 | -170.6 | -177.6 | 69.4 | 171.3 | 12.4 | 110.9 | E279 F982 Q983 L984 H988 L989 Q990 | E279-R986 IonicContact OE1-CZ 3.97Å; E279-R986 VanDerWaalsContact OE1-CZ 3.27Å; E279-R986 IonicContact OE1-NH1 3.83Å; E279-R986 PolarHBondContact OE1-NH1 2.86Å; E279-R986 VanDerWaalsContact OE1-NH1 3.09Å; E279-R986 IonicContact OE1-NH2 2.78Å; E279-R986 PolarHBondContact OE1-NH2 2.91Å; E279-R986 IonicContact OE2-CZ 3.99Å; E279-R986 IonicContact OE2-NE 3.02Å; E279-R986 IonicContact OE2-NH1 2.86Å; E279-R986 IonicContact OE2-NH2 2.6Å; E279-R986 PolarHBondContact OE2-NH2 2.89Å; F982-R986 PolarHBondContact O-N 3.43Å; Q983-R986 WeakPolarHBondContact O-CB 3.22Å; Q983-R986 PolarHBondContact O-N 2.88Å; L984-R986 PolarHBondContact O-N 3.23Å; R986-H988 PolarHBondContact O-N 3.05Å; R986-L989 PolarHBondContact O-N 2.77Å; R986-Q990 VanDerWaalsContact O-CG 3.25Å; R986-Q990 WeakPolarHBondContact O-CG 3.46Å; R986-Q990 PolarHBondContact O-N 2.63Å |
| 987 | V | 82.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.8 | -36.1 | 179.2 | 177.7 | 0 | 0 | 0 | 0 | 112.7 | Q983 L984 L989 Q990 E991 Q1006 L1007 L1010 | Q983-V987 WeakPolarHBondContact O-CG2 3.2Å; Q983-V987 PolarHBondContact O-N 2.96Å; L984-V987 CarbonylContact O-C 3.46Å; L984-V987 WeakPolarHBondContact O-CA 3.24Å; L984-V987 PolarHBondContact O-N 2.89Å; V987-L989 VanDerWaalsContact C-N 3.33Å; V987-L989 PolarHBondContact O-N 3.42Å; V987-Q990 CarbonylContact O-C 3.34Å; V987-Q990 WeakPolarHBondContact O-CB 3.27Å; V987-Q990 PolarHBondContact O-N 3.08Å; V987-E991 WeakPolarHBondContact O-CB 3.07Å; V987-E991 PolarHBondContact O-N 2.81Å; V987-Q1006 HydrophobicContact CG2-CB 3.92Å; V987-L1007 HydrophobicContact CB-CD2 4.38Å; V987-L1007 HydrophobicContact CG1-CD1 4.5Å; V987-L1007 HydrophobicContact CG1-CD2 3.5Å; V987-L1007 HydrophobicContact CG1-CG 3.64Å; V987-L1010 HydrophobicContact CB-CD1 4.12Å; V987-L1010 HydrophobicContact CG2-CD1 3.55Å |
| 988 | H | 80.9 | Confident | 79.4 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 34% | 0.338 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 173.6 | -69.7 | 98.9 | 0 | 0 | 0 | 111.2 | L984 D985 R986 Q990 E991 V992 | L984-H988 VanDerWaalsContact C-ND1 3.29Å; L984-H988 PolarHBondContact O-N 2.8Å; L984-H988 PolarHBondContact O-ND1 2.86Å; D985-H988 PolarHBondContact O-N 2.86Å; R986-H988 PolarHBondContact O-N 3.05Å; H988-Q990 VanDerWaalsContact C-N 3.29Å; H988-Q990 PolarHBondContact O-N 2.92Å; H988-E991 WeakPolarHBondContact O-CB 3.13Å; H988-E991 PolarHBondContact O-N 2.89Å; H988-V992 WeakPolarHBondContact O-CG2 3.39Å; H988-V992 PolarHBondContact O-N 3.29Å; H988-V992 VanDerWaalsContact O-N 3.11Å |
| 989 | L | 77 | Confident | 79.2 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.5 | -37.7 | 174.6 | 178.9 | 145.1 | 0 | 0 | 0 | 111.8 | V284 L343 D985 R986 V987 K993 | V284-L989 HydrophobicContact CB-CD2 4.07Å; V284-L989 HydrophobicContact CG1-CD1 4.01Å; V284-L989 HydrophobicContact CG1-CD2 3.3Å; V284-L989 HydrophobicContact CG1-CG 4.25Å; V284-L989 HydrophobicContact CG2-CD2 3.7Å; L343-L989 HydrophobicContact CD1-CD1 4.23Å; L343-L989 HydrophobicContact CG-CD1 4.29Å; D985-L989 PolarHBondContact O-N 3.22Å; R986-L989 PolarHBondContact O-N 2.77Å; V987-L989 VanDerWaalsContact C-N 3.33Å; V987-L989 PolarHBondContact O-N 3.42Å; L989-K993 PolarHBondContact O-N 2.63Å |
| 990 | Q | 76.5 | Confident | 79 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -40.8 | 173.8 | -71.7 | -176.4 | -1.8 | 0 | 0 | 112 | D277 L280 R986 V987 H988 K993 R994 | D277-Q990 PolarHBondContact OD2-NE2 3.33Å; L280-Q990 VanDerWaalsContact CD1-CA 3.5Å; L280-Q990 HydrophobicContact CD1-CB 3.37Å; L280-Q990 HydrophobicContact CD1-CG 3.38Å; L280-Q990 HydrophobicContact CD2-CB 4.16Å; L280-Q990 HydrophobicContact CD2-CG 4.22Å; L280-Q990 HydrophobicContact CG-CB 3.82Å; L280-Q990 HydrophobicContact CG-CG 3.49Å; L280-Q990 VanDerWaalsContact CG-CG 3.49Å; R986-Q990 VanDerWaalsContact O-CG 3.25Å; R986-Q990 WeakPolarHBondContact O-CG 3.46Å; R986-Q990 PolarHBondContact O-N 2.63Å; V987-Q990 CarbonylContact O-C 3.34Å; V987-Q990 WeakPolarHBondContact O-CB 3.27Å; V987-Q990 PolarHBondContact O-N 3.08Å; H988-Q990 VanDerWaalsContact C-N 3.29Å; H988-Q990 PolarHBondContact O-N 2.92Å; Q990-K993 PolarHBondContact O-N 2.81Å; Q990-R994 PolarHBondContact O-N 3.38Å |
| 991 | E | 78.1 | Confident | 78.9 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 7% | 0.07 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -47 | -179 | -171.8 | -173.1 | 154.7 | 0 | 0 | 111.9 | V987 H988 K993 R994 R1015 L1019 | V987-E991 WeakPolarHBondContact O-CB 3.07Å; V987-E991 PolarHBondContact O-N 2.81Å; H988-E991 WeakPolarHBondContact O-CB 3.13Å; H988-E991 PolarHBondContact O-N 2.89Å; E991-K993 PolarHBondContact O-N 2.78Å; E991-R994 WeakPolarHBondContact O-CB 3.31Å; E991-R994 VanDerWaalsContact O-CD 3.26Å; E991-R994 WeakPolarHBondContact O-CD 3.25Å; E991-R994 WeakPolarHBondContact O-CG 3.34Å; E991-R994 PolarHBondContact O-N 2.86Å; E991-R1015 IonicContact OE1-CZ 2.74Å; E991-R1015 IonicContact OE1-NE 3.22Å; E991-R1015 PolarHBondContact OE1-NE 3.24Å; E991-R1015 IonicContact OE1-NH2 3.7Å; E991-R1015 PolarHBondContact OE1-NH2 3.42Å; E991-R1015 IonicContact OE2-NE 3.89Å; E991-L1019 HydrophobicContact CG-CD1 4.11Å; E991-L1019 HydrophobicContact CG-CD2 4.08Å |
| 992 | V | 75 | Confident | 79 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 44% | 0.442 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.2 | -33.3 | 178 | 174 | 0 | 0 | 0 | 0 | 111.6 | V340 H988 | V340-V992 HydrophobicContact CG1-CG1 4Å; H988-V992 WeakPolarHBondContact O-CG2 3.39Å; H988-V992 PolarHBondContact O-N 3.29Å; H988-V992 VanDerWaalsContact O-N 3.11Å |
| 993 | K | 70.5 | Confident | 79.1 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.2 | -174.1 | -67 | -165.5 | 170.3 | -153.3 | 0 | 114.5 | Q282 V284 E342 L989 Q990 E991 | Q282-K993 PolarHBondContact NE2-O 3.08Å; Q282-K993 PolarHBondContact OE1-O 2.83Å; Q282-K993 VanDerWaalsContact OE1-O 3.06Å; V284-K993 PolarHBondContact O-NZ 3.17Å; E342-K993 IonicContact OE1-NZ 2.83Å; E342-K993 PolarHBondContact OE1-NZ 2.84Å; L989-K993 PolarHBondContact O-N 2.63Å; Q990-K993 PolarHBondContact O-N 2.81Å; E991-K993 PolarHBondContact O-N 2.78Å |
| 994 | R | 75.5 | Confident | 79.2 | Confident | 84 Ų | 84 | 39.2 Ų | 39.2 | 32% | 0.317 | 19% | 0.192 | S | C | . | . | trans | -55.6 | 140.7 | -178.3 | 70.6 | -169.3 | -161.9 | 82.4 | 5 | 112.6 | Q990 E991 H999 T1000 E1022 | Q990-R994 PolarHBondContact O-N 3.38Å; E991-R994 WeakPolarHBondContact O-CB 3.31Å; E991-R994 VanDerWaalsContact O-CD 3.26Å; E991-R994 WeakPolarHBondContact O-CD 3.25Å; E991-R994 WeakPolarHBondContact O-CG 3.34Å; E991-R994 PolarHBondContact O-N 2.86Å; R994-H999 HydrophobicContact CB-CB 4.37Å; R994-T1000 PolarHBondContact NH1-OG1 3.05Å; R994-E1022 IonicContact CZ-OE2 3.26Å; R994-E1022 VanDerWaalsContact CZ-OE2 3.25Å; R994-E1022 IonicContact NE-OE2 2.98Å; R994-E1022 IonicContact NH2-OE2 2.87Å; R994-E1022 PolarHBondContact NH2-OE2 3.11Å | ||
| 995 | S | 69.2 | Low | 79.3 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 36% | 0.364 | 20% | 0.196 | S | C | . | . | trans | -136.9 | -33.7 | -176.9 | 59 | 0 | 0 | 0 | 0 | 113.8 | H999 | S995-H999 PolarHBondContact OG-ND1 3.19Š| ||
| 996 | S | 76.4 | Confident | 79.5 | Confident | 37 Ų | 37 | 39 Ų | 39 | 26% | 0.259 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -111.2 | 162.9 | 176.2 | 70.4 | 0 | 0 | 0 | 0 | 111.7 | E998 H999 T1000 | S996-E998 VanDerWaalsContact C-N 3.26Å; S996-E998 PolarHBondContact O-N 2.9Å; S996-H999 PolarHBondContact O-N 2.97Å; S996-H999 PolarHBondContact OG-CD2 3.08Å; S996-H999 VanDerWaalsContact OG-CG 3.24Å; S996-H999 PolarHBondContact OG-N 3.23Å; S996-H999 VanDerWaalsContact OG-N 3.14Å; S996-H999 PolarHBondContact OG-NE2 3.29Å; S996-T1000 PolarHBondContact O-N 2.86Å; S996-T1000 VanDerWaalsContact O-N 3.13Å; S996-T1000 PolarHBondContact O-OG1 3.48Å; S996-T1000 VanDerWaalsContact O-OG1 3.1Å |
| 997 | Y | 81.2 | Confident | 79.8 | Confident | 56 Ų | 56 | 38.3 Ų | 38.3 | 22% | 0.22 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.3 | -39.1 | 170.1 | 170.3 | -111.5 | 0 | 0 | 0 | 111.5 | H999 T1000 K1001 T1023 N1027 S1029 D1033 | Y997-H999 VanDerWaalsContact C-N 3.29Å; Y997-H999 PolarHBondContact O-N 2.84Å; Y997-T1000 WeakPolarHBondContact O-CB 3.05Å; Y997-T1000 PolarHBondContact O-N 2.75Å; Y997-T1000 VanDerWaalsContact O-N 3.1Å; Y997-K1001 PolarHBondContact O-N 2.89Å; Y997-T1023 HydrophobicContact CD2-CG2 4.16Å; Y997-T1023 HydrophobicContact CE2-CG2 4.03Å; Y997-N1027 WeakPolarHBondContact CB-ND2 3.39Å; Y997-N1027 WeakPolarHBondContact CD2-ND2 3.44Å; Y997-S1029 VanDerWaalsContact CE1-OG 3.26Å; Y997-S1029 WeakPolarHBondContact CE1-OG 3.42Å; Y997-S1029 WeakPolarHBondContact OH-CB 3.38Å; Y997-D1033 WeakPolarHBondContact CE2-OD2 3.32Å; Y997-D1033 VanDerWaalsContact OH-CG 3.31Å; Y997-D1033 PolarHBondContact OH-OD1 3.32Å; Y997-D1033 PolarHBondContact OH-OD2 2.88Å |
| 998 | E | 78.6 | Confident | 80 | Confident | 136 Ų | 136 | 38.5 Ų | 38.5 | 64% | 0.636 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -60.1 | -37.8 | 176 | -66.9 | -175.1 | 173.4 | 0 | 0 | 112.7 | S996 K1001 K1002 | S996-E998 VanDerWaalsContact C-N 3.26Å; S996-E998 PolarHBondContact O-N 2.9Å; E998-K1001 PolarHBondContact O-N 3.17Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.83Å |
| 999 | H | 77.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.037 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | 175.8 | -64.3 | -173 | 0 | 0 | 0 | 110.6 | Q282 R994 S995 S996 Y997 K1001 K1002 C1003 | Q282-H999 PolarHBondContact OE1-CE1 3.3Å; Q282-H999 PolarHBondContact OE1-ND1 3.39Å; Q282-H999 VanDerWaalsContact OE1-ND1 3.17Å; R994-H999 HydrophobicContact CB-CB 4.37Å; S995-H999 PolarHBondContact OG-ND1 3.19Å; S996-H999 PolarHBondContact O-N 2.97Å; S996-H999 PolarHBondContact OG-CD2 3.08Å; S996-H999 VanDerWaalsContact OG-CG 3.24Å; S996-H999 PolarHBondContact OG-N 3.23Å; S996-H999 VanDerWaalsContact OG-N 3.14Å; S996-H999 PolarHBondContact OG-NE2 3.29Å; Y997-H999 VanDerWaalsContact C-N 3.29Å; Y997-H999 PolarHBondContact O-N 2.84Å; H999-K1001 VanDerWaalsContact C-N 3.34Å; H999-K1002 PolarHBondContact O-N 3.27Å; H999-C1003 PolarHBondContact O-N 3.01Å; H999-C1003 PolarHBondContact O-SG 3.1Å |
| 1000 | T | 82.5 | Confident | 80.6 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | 176.8 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | R994 S996 Y997 C1003 A1004 L1019 | R994-T1000 PolarHBondContact NH1-OG1 3.05Å; S996-T1000 PolarHBondContact O-N 2.86Å; S996-T1000 VanDerWaalsContact O-N 3.13Å; S996-T1000 PolarHBondContact O-OG1 3.48Å; S996-T1000 VanDerWaalsContact O-OG1 3.1Å; Y997-T1000 WeakPolarHBondContact O-CB 3.05Å; Y997-T1000 PolarHBondContact O-N 2.75Å; Y997-T1000 VanDerWaalsContact O-N 3.1Å; T1000-C1003 PolarHBondContact O-N 2.83Å; T1000-A1004 WeakPolarHBondContact O-CB 3.18Å; T1000-A1004 PolarHBondContact O-N 3.11Å; T1000-L1019 HydrophobicContact CG2-CB 4.34Å |
| 1001 | K | 83.5 | Confident | 80.8 | Confident | 80 Ų | 80 | 35.9 Ų | 35.9 | 35% | 0.348 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 174.2 | -175.7 | -179.1 | 176.9 | -178 | 0 | 112 | Y997 E998 H999 A1004 D1005 | Y997-K1001 PolarHBondContact O-N 2.89Å; E998-K1001 PolarHBondContact O-N 3.17Å; H999-K1001 VanDerWaalsContact C-N 3.34Å; K1001-A1004 PolarHBondContact O-N 3.12Å; K1001-D1005 WeakPolarHBondContact O-CB 3.36Å; K1001-D1005 PolarHBondContact O-N 2.93Å |
| 1002 | K | 83.3 | Confident | 81.1 | Confident | 74 Ų | 74 | 39.2 Ų | 39.2 | 32% | 0.322 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 177.2 | -76.8 | 179.2 | 178.2 | -177.6 | 0 | 112.3 | E279 E998 H999 D1005 Q1006 | E279-K1002 PolarHBondContact O-NZ 3.33Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.83Å; H999-K1002 PolarHBondContact O-N 3.27Å; K1002-D1005 PolarHBondContact O-N 2.91Å; K1002-Q1006 WeakPolarHBondContact O-CG 3.47Å; K1002-Q1006 PolarHBondContact O-N 2.85Å |
| 1003 | C | 84.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 177.5 | -63.8 | 0 | 0 | 0 | 0 | 110.7 | H999 T1000 D1005 Q1006 L1007 L1019 | H999-C1003 PolarHBondContact O-N 3.01Å; H999-C1003 PolarHBondContact O-SG 3.1Å; T1000-C1003 PolarHBondContact O-N 2.83Å; C1003-D1005 VanDerWaalsContact C-N 3.31Å; C1003-D1005 PolarHBondContact O-N 2.72Å; C1003-Q1006 PolarHBondContact O-N 2.76Å; C1003-L1007 WeakPolarHBondContact O-CG 3.49Å; C1003-L1007 PolarHBondContact O-N 3.23Å; C1003-L1019 HydrophobicContact CB-CD1 4.19Å |
| 1004 | A | 85.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59 | -43 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1000 K1001 Q1006 L1007 L1008 L1019 L1020 | T1000-A1004 WeakPolarHBondContact O-CB 3.18Å; T1000-A1004 PolarHBondContact O-N 3.11Å; K1001-A1004 PolarHBondContact O-N 3.12Å; A1004-Q1006 PolarHBondContact O-N 3.4Å; A1004-L1007 PolarHBondContact O-N 3.23Å; A1004-L1008 WeakPolarHBondContact O-CG 3.36Å; A1004-L1008 PolarHBondContact O-N 2.93Å; A1004-L1019 HydrophobicContact CB-CB 4.35Å; A1004-L1020 HydrophobicContact CB-CD2 4.07Å; A1004-L1020 HydrophobicContact CB-CG 4.18Å |
| 1005 | D | 85.5 | Confident | 82.8 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 20% | 0.198 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.5 | -71.7 | -20.2 | 0 | 0 | 0 | 112.2 | K1001 K1002 C1003 L1008 L1009 K1036 Q1071 | K1001-D1005 WeakPolarHBondContact O-CB 3.36Å; K1001-D1005 PolarHBondContact O-N 2.93Å; K1002-D1005 PolarHBondContact O-N 2.91Å; C1003-D1005 VanDerWaalsContact C-N 3.31Å; C1003-D1005 PolarHBondContact O-N 2.72Å; D1005-L1008 PolarHBondContact O-N 2.98Å; D1005-L1009 WeakPolarHBondContact O-CG 3.5Å; D1005-L1009 PolarHBondContact O-N 3.07Å; D1005-L1009 VanDerWaalsContact O-N 3.16Å; D1005-K1036 IonicContact OD1-NZ 3.1Å; D1005-K1036 PolarHBondContact OD1-NZ 3.02Å; D1005-Q1071 PolarHBondContact OD1-NE2 3.14Å; D1005-Q1071 PolarHBondContact OD1-OE1 2.83Å |
| 1006 | Q | 85.8 | Confident | 83.5 | Confident | 30 Ų | 30 | 40.6 Ų | 40.6 | 14% | 0.14 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 175.8 | -70 | -168.4 | 11.9 | 0 | 0 | 112.6 | E279 V987 K1002 C1003 A1004 L1008 L1009 L1010 | E279-Q1006 PolarHBondContact OE2-NE2 2.86Å; V987-Q1006 HydrophobicContact CG2-CB 3.92Å; K1002-Q1006 WeakPolarHBondContact O-CG 3.47Å; K1002-Q1006 PolarHBondContact O-N 2.85Å; C1003-Q1006 PolarHBondContact O-N 2.76Å; A1004-Q1006 PolarHBondContact O-N 3.4Å; Q1006-L1008 VanDerWaalsContact C-N 3.3Å; Q1006-L1008 PolarHBondContact O-N 3.14Å; Q1006-L1009 PolarHBondContact O-N 3.35Å; Q1006-L1009 VanDerWaalsContact O-N 3.13Å; Q1006-L1010 WeakPolarHBondContact O-CB 3.04Å; Q1006-L1010 WeakPolarHBondContact O-CG 2.78Å; Q1006-L1010 PolarHBondContact O-N 2.65Å |
| 1007 | L | 86.3 | Confident | 84 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 174.8 | -73.3 | 175.4 | 0 | 0 | 0 | 111.8 | V987 C1003 A1004 L1009 L1010 G1011 Q1012 R1015 A1016 L1019 | V987-L1007 HydrophobicContact CB-CD2 4.38Å; V987-L1007 HydrophobicContact CG1-CD1 4.5Å; V987-L1007 HydrophobicContact CG1-CD2 3.5Å; V987-L1007 HydrophobicContact CG1-CG 3.64Å; C1003-L1007 WeakPolarHBondContact O-CG 3.49Å; C1003-L1007 PolarHBondContact O-N 3.23Å; A1004-L1007 PolarHBondContact O-N 3.23Å; L1007-L1009 VanDerWaalsContact C-N 3.33Å; L1007-L1009 PolarHBondContact O-N 2.88Å; L1007-L1010 CarbonylContact O-C 3.55Å; L1007-L1010 PolarHBondContact O-N 2.95Å; L1007-G1011 PolarHBondContact O-N 3.11Å; L1007-Q1012 HydrophobicContact CB-CB 4.29Å; L1007-Q1012 HydrophobicContact CD2-CB 3.97Å; L1007-Q1012 HydrophobicContact CD2-CG 4.38Å; L1007-Q1012 PolarHBondContact O-N 3.27Å; L1007-R1015 HydrophobicContact CD1-CB 4.2Å; L1007-R1015 HydrophobicContact CD1-CG 3.89Å; L1007-A1016 HydrophobicContact CB-CB 3.88Å; L1007-L1019 HydrophobicContact CD1-CD1 3.57Å |
| 1008 | L | 86.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.3 | -38.4 | 174.6 | -69.2 | 168 | 0 | 0 | 0 | 111.7 | A1004 D1005 Q1006 G1011 T1013 A1016 V1040 L1075 | A1004-L1008 WeakPolarHBondContact O-CG 3.36Å; A1004-L1008 PolarHBondContact O-N 2.93Å; D1005-L1008 PolarHBondContact O-N 2.98Å; Q1006-L1008 VanDerWaalsContact C-N 3.3Å; Q1006-L1008 PolarHBondContact O-N 3.14Å; L1008-G1011 PolarHBondContact O-N 2.88Å; L1008-T1013 HydrophobicContact CD2-CG2 4.36Å; L1008-A1016 HydrophobicContact CD1-CB 4.43Å; L1008-A1016 HydrophobicContact CD2-CB 3.55Å; L1008-A1016 HydrophobicContact CG-CB 3.6Å; L1008-V1040 HydrophobicContact CD2-CG1 3.9Å; L1008-V1040 HydrophobicContact CD2-CG2 3.92Å; L1008-L1075 HydrophobicContact CB-CD2 4.49Å; L1008-L1075 HydrophobicContact CD2-CD2 3.88Å |
| 1009 | L | 85.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 35 Ų | 35 | 9% | 0.094 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -70.7 | -34.5 | 174.9 | -66.3 | 172.2 | 0 | 0 | 0 | 112.6 | D1005 Q1006 L1007 G1011 C1074 W1097 L1098 | D1005-L1009 WeakPolarHBondContact O-CG 3.5Å; D1005-L1009 PolarHBondContact O-N 3.07Å; D1005-L1009 VanDerWaalsContact O-N 3.16Å; Q1006-L1009 PolarHBondContact O-N 3.35Å; Q1006-L1009 VanDerWaalsContact O-N 3.13Å; L1007-L1009 VanDerWaalsContact C-N 3.33Å; L1007-L1009 PolarHBondContact O-N 2.88Å; L1009-G1011 VanDerWaalsContact C-N 3.26Å; L1009-G1011 PolarHBondContact O-N 3.37Å; L1009-C1074 HydrophobicContact CD2-CB 4.32Å; L1009-W1097 HydrophobicContact CB-CH2 4.17Å; L1009-W1097 HydrophobicContact CB-CZ3 4.08Å; L1009-W1097 HydrophobicContact CD1-CZ3 4.14Å; L1009-L1098 HydrophobicContact CD2-CD1 4.15Å |
| 1010 | L | 84.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -75.5 | -13.8 | 176.4 | -72.8 | 161.3 | 0 | 0 | 0 | 113.2 | Q980 Q983 L984 V987 Q1006 L1007 V1101 | Q980-L1010 HydrophobicContact CG-CD2 4.38Å; Q980-L1010 PolarHBondContact NE2-O 2.89Å; Q983-L1010 HydrophobicContact CB-CD2 3.72Å; L984-L1010 HydrophobicContact CD2-CB 3.94Å; L984-L1010 HydrophobicContact CD2-CD1 3.94Å; L984-L1010 HydrophobicContact CD2-CG 4.36Å; L984-L1010 HydrophobicContact CG-CD1 4.34Å; L984-L1010 HydrophobicContact CG-CD2 4.3Å; V987-L1010 HydrophobicContact CB-CD1 4.12Å; V987-L1010 HydrophobicContact CG2-CD1 3.55Å; Q1006-L1010 WeakPolarHBondContact O-CB 3.04Å; Q1006-L1010 WeakPolarHBondContact O-CG 2.78Å; Q1006-L1010 PolarHBondContact O-N 2.65Å; L1007-L1010 CarbonylContact O-C 3.55Å; L1007-L1010 PolarHBondContact O-N 2.95Å; L1010-V1101 HydrophobicContact CB-CG1 4.37Å; L1010-V1101 HydrophobicContact CD2-CB 4.38Å; L1010-V1101 HydrophobicContact CD2-CG1 3.33Å; L1010-V1101 HydrophobicContact CD2-CG2 4.14Å; L1010-V1101 HydrophobicContact CG-CG1 4.06Å |
| 1011 | G | 81.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 22% | 0.216 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 6.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | L1007 L1008 L1009 T1013 | L1007-G1011 PolarHBondContact O-N 3.11Å; L1008-G1011 PolarHBondContact O-N 2.88Å; L1009-G1011 VanDerWaalsContact C-N 3.26Å; L1009-G1011 PolarHBondContact O-N 3.37Å; G1011-T1013 VanDerWaalsContact C-N 3.29Å; G1011-T1013 PolarHBondContact O-N 2.82Å; G1011-T1013 VanDerWaalsContact O-N 3.11Å |
| 1012 | Q | 84.9 | Confident | 84.9 | Confident | 84 Ų | 84 | 39.5 Ų | 39.5 | 39% | 0.393 | 20% | 0.198 | S | C | . | . | trans | -85.9 | 68.2 | 177 | -68.8 | -68.4 | -16.3 | 0 | 0 | 110.1 | L984 L1007 D1014 A1016 | L984-Q1012 HydrophobicContact CD2-CG 3.54Å; L1007-Q1012 HydrophobicContact CB-CB 4.29Å; L1007-Q1012 HydrophobicContact CD2-CB 3.97Å; L1007-Q1012 HydrophobicContact CD2-CG 4.38Å; L1007-Q1012 PolarHBondContact O-N 3.27Å; Q1012-D1014 VanDerWaalsContact C-N 3.34Å; Q1012-D1014 PolarHBondContact O-N 3.09Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.46Å; Q1012-A1016 PolarHBondContact O-N 2.77Å; Q1012-A1016 VanDerWaalsContact O-N 3.12Å | ||
| 1013 | T | 84.5 | Confident | 84.8 | Confident | 48 Ų | 48 | 36.5 Ų | 36.5 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -38.7 | -174.9 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | L1008 G1011 A1016 V1017 V1040 | L1008-T1013 HydrophobicContact CD2-CG2 4.36Å; G1011-T1013 VanDerWaalsContact C-N 3.29Å; G1011-T1013 PolarHBondContact O-N 2.82Å; G1011-T1013 VanDerWaalsContact O-N 3.11Å; T1013-A1016 PolarHBondContact O-N 3.26Å; T1013-V1017 WeakPolarHBondContact O-CB 3.48Å; T1013-V1017 VanDerWaalsContact O-CG2 3.24Å; T1013-V1017 WeakPolarHBondContact O-CG2 3.28Å; T1013-V1017 PolarHBondContact O-N 3.06Å; T1013-V1040 HydrophobicContact CG2-CG1 4.07Å |
| 1014 | D | 84.4 | Confident | 84.5 | Confident | 120 Ų | 120 | 39.7 Ų | 39.7 | 64% | 0.642 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -66.5 | -45.7 | -175.6 | -62 | -18.9 | 0 | 0 | 0 | 111.5 | Q1012 V1017 Q1018 | Q1012-D1014 VanDerWaalsContact C-N 3.34Å; Q1012-D1014 PolarHBondContact O-N 3.09Å; D1014-V1017 PolarHBondContact O-N 3.23Å; D1014-Q1018 WeakPolarHBondContact O-CG 3.46Å; D1014-Q1018 PolarHBondContact O-N 2.57Å; D1014-Q1018 VanDerWaalsContact O-N 3.1Å |
| 1015 | R | 86.3 | Confident | 84.1 | Confident | 90 Ų | 90 | 43.1 Ų | 43.1 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.9 | -169.8 | 58.5 | 179.5 | 167.4 | 3.8 | 111.9 | E991 L1007 V1017 Q1018 L1019 | E991-R1015 IonicContact OE1-CZ 2.74Å; E991-R1015 IonicContact OE1-NE 3.22Å; E991-R1015 PolarHBondContact OE1-NE 3.24Å; E991-R1015 IonicContact OE1-NH2 3.7Å; E991-R1015 PolarHBondContact OE1-NH2 3.42Å; E991-R1015 IonicContact OE2-NE 3.89Å; L1007-R1015 HydrophobicContact CD1-CB 4.2Å; L1007-R1015 HydrophobicContact CD1-CG 3.89Å; R1015-V1017 VanDerWaalsContact C-N 3.33Å; R1015-V1017 PolarHBondContact O-N 2.63Å; R1015-Q1018 VanDerWaalsContact CD-OE1 3.26Å; R1015-Q1018 WeakPolarHBondContact O-CB 3.29Å; R1015-Q1018 PolarHBondContact O-N 2.85Å; R1015-L1019 PolarHBondContact O-N 2.88Å |
| 1016 | A | 85.1 | Confident | 83.7 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1007 L1008 Q1012 T1013 L1019 L1020 | L1007-A1016 HydrophobicContact CB-CB 3.88Å; L1008-A1016 HydrophobicContact CD1-CB 4.43Å; L1008-A1016 HydrophobicContact CD2-CB 3.55Å; L1008-A1016 HydrophobicContact CG-CB 3.6Å; Q1012-A1016 WeakPolarHBondContact O-CB 3.46Å; Q1012-A1016 PolarHBondContact O-N 2.77Å; Q1012-A1016 VanDerWaalsContact O-N 3.12Å; T1013-A1016 PolarHBondContact O-N 3.26Å; A1016-L1019 PolarHBondContact O-N 3.49Å; A1016-L1020 VanDerWaalsContact O-CG 3.32Å; A1016-L1020 WeakPolarHBondContact O-CG 3.38Å; A1016-L1020 PolarHBondContact O-N 3.04Å |
| 1017 | V | 85.9 | Confident | 83.4 | Confident | 18 Ų | 18 | 49 Ų | 49 | 11% | 0.109 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.1 | 166.9 | 0 | 0 | 0 | 0 | 110.9 | T1013 D1014 R1015 L1019 L1020 L1021 A1037 V1040 T1041 | T1013-V1017 WeakPolarHBondContact O-CB 3.48Å; T1013-V1017 VanDerWaalsContact O-CG2 3.24Å; T1013-V1017 WeakPolarHBondContact O-CG2 3.28Å; T1013-V1017 PolarHBondContact O-N 3.06Å; D1014-V1017 PolarHBondContact O-N 3.23Å; R1015-V1017 VanDerWaalsContact C-N 3.33Å; R1015-V1017 PolarHBondContact O-N 2.63Å; V1017-L1019 VanDerWaalsContact C-N 3.35Å; V1017-L1019 PolarHBondContact O-N 3.17Å; V1017-L1020 PolarHBondContact O-N 3.39Å; V1017-L1021 HydrophobicContact CG1-CD1 3.97Å; V1017-L1021 HydrophobicContact CG1-CG 4.44Å; V1017-L1021 WeakPolarHBondContact O-CG 3.4Å; V1017-L1021 PolarHBondContact O-N 3.3Å; V1017-A1037 HydrophobicContact CG1-CB 4.19Å; V1017-V1040 HydrophobicContact CG2-CB 4Å; V1017-V1040 HydrophobicContact CG2-CG1 3.66Å; V1017-T1041 HydrophobicContact CG1-CG2 3.96Å; V1017-T1041 HydrophobicContact CG2-CG2 3.89Å |
| 1018 | Q | 86.4 | Confident | 83.2 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 174.7 | -69.9 | 170.7 | 1.3 | 0 | 0 | 111.2 | D1014 R1015 L1020 L1021 E1022 | D1014-Q1018 WeakPolarHBondContact O-CG 3.46Å; D1014-Q1018 PolarHBondContact O-N 2.57Å; D1014-Q1018 VanDerWaalsContact O-N 3.1Å; R1015-Q1018 VanDerWaalsContact CD-OE1 3.26Å; R1015-Q1018 WeakPolarHBondContact O-CB 3.29Å; R1015-Q1018 PolarHBondContact O-N 2.85Å; Q1018-L1020 VanDerWaalsContact C-N 3.34Å; Q1018-L1020 PolarHBondContact O-N 3.1Å; Q1018-L1021 PolarHBondContact O-N 3.16Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.33Å; Q1018-E1022 PolarHBondContact O-N 2.66Å |
| 1019 | L | 83.7 | Confident | 83 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 177.6 | -68.7 | -178.4 | 0 | 0 | 0 | 113.7 | E991 T1000 C1003 A1004 L1007 R1015 A1016 V1017 E1022 | E991-L1019 HydrophobicContact CG-CD1 4.11Å; E991-L1019 HydrophobicContact CG-CD2 4.08Å; T1000-L1019 HydrophobicContact CG2-CB 4.34Å; C1003-L1019 HydrophobicContact CB-CD1 4.19Å; A1004-L1019 HydrophobicContact CB-CB 4.35Å; L1007-L1019 HydrophobicContact CD1-CD1 3.57Å; R1015-L1019 PolarHBondContact O-N 2.88Å; A1016-L1019 PolarHBondContact O-N 3.49Å; V1017-L1019 VanDerWaalsContact C-N 3.35Å; V1017-L1019 PolarHBondContact O-N 3.17Å; L1019-E1022 PolarHBondContact O-N 2.98Å |
| 1020 | L | 83.8 | Confident | 82.9 | Confident | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -69.8 | -33.3 | 176.2 | -70.5 | 171.4 | 0 | 0 | 0 | 112.2 | A1004 A1016 V1017 Q1018 E1022 T1023 D1033 K1036 A1037 | A1004-L1020 HydrophobicContact CB-CD2 4.07Å; A1004-L1020 HydrophobicContact CB-CG 4.18Å; A1016-L1020 VanDerWaalsContact O-CG 3.32Å; A1016-L1020 WeakPolarHBondContact O-CG 3.38Å; A1016-L1020 PolarHBondContact O-N 3.04Å; V1017-L1020 PolarHBondContact O-N 3.39Å; Q1018-L1020 VanDerWaalsContact C-N 3.34Å; Q1018-L1020 PolarHBondContact O-N 3.1Å; L1020-E1022 VanDerWaalsContact C-N 3.33Å; L1020-T1023 WeakPolarHBondContact O-CB 3.45Å; L1020-T1023 PolarHBondContact O-N 2.77Å; L1020-T1023 PolarHBondContact O-OG1 2.89Å; L1020-D1033 HydrophobicContact CB-CB 4.38Å; L1020-D1033 HydrophobicContact CD2-CB 4.12Å; L1020-K1036 HydrophobicContact CD1-CB 4.33Å; L1020-K1036 HydrophobicContact CD1-CD 4.22Å; L1020-K1036 HydrophobicContact CD1-CG 4.15Å; L1020-A1037 HydrophobicContact CB-CB 4.25Å; L1020-A1037 HydrophobicContact CD1-CB 4.5Å |
| 1021 | L | 85 | Confident | 82.9 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 54% | 0.539 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -77.8 | -18.3 | 176.1 | -66.9 | 174.4 | 0 | 0 | 0 | 113 | V1017 Q1018 T1023 A1037 | V1017-L1021 HydrophobicContact CG1-CD1 3.97Å; V1017-L1021 HydrophobicContact CG1-CG 4.44Å; V1017-L1021 WeakPolarHBondContact O-CG 3.4Å; V1017-L1021 PolarHBondContact O-N 3.3Å; Q1018-L1021 PolarHBondContact O-N 3.16Å; L1021-T1023 PolarHBondContact O-N 3.04Å; L1021-A1037 HydrophobicContact CD2-CB 4.1Å; L1021-A1037 HydrophobicContact CG-CB 4.29Å |
| 1022 | E | 83.8 | Confident | 82.9 | Confident | 85 Ų | 85 | 70.6 Ų | 70.6 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -8.7 | 172.3 | -74.1 | 173.2 | -166.7 | 0 | 0 | 113.2 | R994 Q1018 L1019 L1020 S1024 | R994-E1022 IonicContact CZ-OE2 3.26Å; R994-E1022 VanDerWaalsContact CZ-OE2 3.25Å; R994-E1022 IonicContact NE-OE2 2.98Å; R994-E1022 IonicContact NH2-OE2 2.87Å; R994-E1022 PolarHBondContact NH2-OE2 3.11Å; Q1018-E1022 WeakPolarHBondContact O-CG 3.33Å; Q1018-E1022 PolarHBondContact O-N 2.66Å; L1019-E1022 PolarHBondContact O-N 2.98Å; L1020-E1022 VanDerWaalsContact C-N 3.33Å; E1022-S1024 PolarHBondContact O-N 3.43Å |
| 1023 | T | 82.4 | Confident | 82.9 | Confident | 11 Ų | 11 | 67 Ų | 67 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -61.7 | 128.4 | 173.4 | -60.2 | 0 | 0 | 0 | 0 | 109.9 | Y997 L1020 L1021 N1027 Y1030 D1033 | Y997-T1023 HydrophobicContact CD2-CG2 4.16Å; Y997-T1023 HydrophobicContact CE2-CG2 4.03Å; L1020-T1023 WeakPolarHBondContact O-CB 3.45Å; L1020-T1023 PolarHBondContact O-N 2.77Å; L1020-T1023 PolarHBondContact O-OG1 2.89Å; L1021-T1023 PolarHBondContact O-N 3.04Å; T1023-N1027 HydrophobicContact CG2-CB 3.83Å; T1023-Y1030 HydrophobicContact CG2-CD2 4.39Å; T1023-Y1030 WeakPolarHBondContact O-CD2 3.22Å; T1023-Y1030 WeakPolarHBondContact O-CE2 3.25Å; T1023-D1033 WeakPolarHBondContact CG2-OD2 3.36Å; T1023-D1033 PolarHBondContact OG1-OD2 3.39Å |
| 1024 | S | 78.3 | Confident | 82.9 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | trans | -66.6 | 142.3 | 178.4 | 59.2 | 0 | 0 | 0 | 0 | 112 | E1022 D1026 N1027 | E1022-S1024 PolarHBondContact O-N 3.43Å; S1024-D1026 PolarHBondContact O-N 3.32Å; S1024-D1026 VanDerWaalsContact O-N 3.08Å; S1024-N1027 VanDerWaalsContact O-CB 3.29Å; S1024-N1027 WeakPolarHBondContact O-CB 3.37Å; S1024-N1027 PolarHBondContact O-N 2.92Å | ||
| 1025 | A | 77 | Confident | 82.8 | Confident | 72 Ų | 72 | 64.4 Ų | 64.4 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N1027 Y1030 | A1025-N1027 VanDerWaalsContact C-N 3.25Å; A1025-N1027 PolarHBondContact O-N 3.15Å; A1025-Y1030 HydrophobicContact CB-CD1 4.44Å; A1025-Y1030 HydrophobicContact CB-CE1 4.37Å |
| 1026 | D | 76.1 | Confident | 82.7 | Confident | 157 Ų | 157 | 62.2 Ų | 62.2 | 84% | 0.84 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -12.6 | 177.8 | -58.5 | -38.5 | 0 | 0 | 0 | 113.6 | S1024 | S1024-D1026 PolarHBondContact O-N 3.32Å; S1024-D1026 VanDerWaalsContact O-N 3.08Å |
| 1027 | N | 80.6 | Confident | 82.6 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -80.5 | 130.9 | -179.9 | -173.1 | -32.8 | 0 | 0 | 0 | 110 | Y997 T1023 S1024 A1025 S1029 Y1030 | Y997-N1027 WeakPolarHBondContact CB-ND2 3.39Å; Y997-N1027 WeakPolarHBondContact CD2-ND2 3.44Å; T1023-N1027 HydrophobicContact CG2-CB 3.83Å; S1024-N1027 VanDerWaalsContact O-CB 3.29Å; S1024-N1027 WeakPolarHBondContact O-CB 3.37Å; S1024-N1027 PolarHBondContact O-N 2.92Å; A1025-N1027 VanDerWaalsContact C-N 3.25Å; A1025-N1027 PolarHBondContact O-N 3.15Å; N1027-S1029 PolarHBondContact O-N 3.22Å; N1027-S1029 PolarHBondContact OD1-N 2.81Å; N1027-Y1030 WeakPolarHBondContact O-CB 3.31Å; N1027-Y1030 PolarHBondContact O-N 3.21Å |
| 1028 | P | 82 | Confident | 82.4 | Confident | 123 Ų | 123 | 65 Ų | 65 | 80% | 0.799 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -26.2 | 176.6 | -26.3 | 33.3 | 0 | 0 | 0 | 114.6 | ||
| 1029 | S | 82 | Confident | 82.2 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -9.5 | 179.8 | -54 | 0 | 0 | 0 | 0 | 114 | Y997 N1027 Y1031 C1032 D1033 | Y997-S1029 VanDerWaalsContact CE1-OG 3.26Å; Y997-S1029 WeakPolarHBondContact CE1-OG 3.42Å; Y997-S1029 WeakPolarHBondContact OH-CB 3.38Å; N1027-S1029 PolarHBondContact O-N 3.22Å; N1027-S1029 PolarHBondContact OD1-N 2.81Å; S1029-Y1031 VanDerWaalsContact C-N 3.28Å; S1029-Y1031 PolarHBondContact O-N 2.94Å; S1029-C1032 WeakPolarHBondContact O-CA 3.41Å; S1029-C1032 WeakPolarHBondContact O-CB 3.45Å; S1029-C1032 PolarHBondContact O-N 3.42Å; S1029-D1033 PolarHBondContact O-N 3.49Å |
| 1030 | Y | 82.7 | Confident | 82.1 | Confident | 94 Ų | 94 | 64 Ų | 64 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -52.3 | -44.7 | -176.7 | 175.5 | -104.6 | 0 | 0 | 0 | 113 | T1023 A1025 N1027 D1033 S1034 | T1023-Y1030 HydrophobicContact CG2-CD2 4.39Å; T1023-Y1030 WeakPolarHBondContact O-CD2 3.22Å; T1023-Y1030 WeakPolarHBondContact O-CE2 3.25Å; A1025-Y1030 HydrophobicContact CB-CD1 4.44Å; A1025-Y1030 HydrophobicContact CB-CE1 4.37Å; N1027-Y1030 WeakPolarHBondContact O-CB 3.31Å; N1027-Y1030 PolarHBondContact O-N 3.21Å; Y1030-D1033 PolarHBondContact O-N 2.85Å; Y1030-S1034 VanDerWaalsContact O-CB 3.27Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.2Å; Y1030-S1034 PolarHBondContact O-N 3.22Å; Y1030-S1034 PolarHBondContact O-OG 2.86Å |
| 1031 | Y | 83.8 | Confident | 81.7 | Confident | 164 Ų | 164 | 67.4 Ų | 67.4 | 64% | 0.643 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.2 | -42.1 | 178.5 | -175.4 | -105 | 0 | 0 | 0 | 111.9 | S1029 L1035 | S1029-Y1031 VanDerWaalsContact C-N 3.28Å; S1029-Y1031 PolarHBondContact O-N 2.94Å; Y1031-L1035 HydrophobicContact CD1-CD1 3.87Å; Y1031-L1035 HydrophobicContact CE1-CD1 3.38Å; Y1031-L1035 HydrophobicContact CE1-CG 4.27Å; Y1031-L1035 WeakPolarHBondContact O-CB 3.35Å; Y1031-L1035 VanDerWaalsContact O-CG 3.31Å; Y1031-L1035 WeakPolarHBondContact O-CG 3.23Å; Y1031-L1035 PolarHBondContact O-N 2.84Å |
| 1032 | C | 82.9 | Confident | 81.3 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 55% | 0.547 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68 | -40.9 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 111.8 | S1029 L1035 K1036 | S1029-C1032 WeakPolarHBondContact O-CA 3.41Å; S1029-C1032 WeakPolarHBondContact O-CB 3.45Å; S1029-C1032 PolarHBondContact O-N 3.42Å; C1032-L1035 PolarHBondContact O-N 3.27Å; C1032-K1036 WeakPolarHBondContact O-CB 3.34Å; C1032-K1036 PolarHBondContact O-N 3.32Å |
| 1033 | D | 83.9 | Confident | 80.6 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 4% | 0.043 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 179 | -65.9 | -20.7 | 0 | 0 | 0 | 111.8 | Y997 L1020 T1023 S1029 Y1030 L1035 K1036 A1037 | Y997-D1033 WeakPolarHBondContact CE2-OD2 3.32Å; Y997-D1033 VanDerWaalsContact OH-CG 3.31Å; Y997-D1033 PolarHBondContact OH-OD1 3.32Å; Y997-D1033 PolarHBondContact OH-OD2 2.88Å; L1020-D1033 HydrophobicContact CB-CB 4.38Å; L1020-D1033 HydrophobicContact CD2-CB 4.12Å; T1023-D1033 WeakPolarHBondContact CG2-OD2 3.36Å; T1023-D1033 PolarHBondContact OG1-OD2 3.39Å; S1029-D1033 PolarHBondContact O-N 3.49Å; Y1030-D1033 PolarHBondContact O-N 2.85Å; D1033-L1035 VanDerWaalsContact C-N 3.34Å; D1033-L1035 PolarHBondContact O-N 3.39Å; D1033-K1036 CarbonylContact O-C 3.54Å; D1033-K1036 PolarHBondContact O-N 2.94Å; D1033-A1037 WeakPolarHBondContact O-CB 3.43Å; D1033-A1037 PolarHBondContact O-N 3.42Å |
| 1034 | S | 83.8 | Confident | 79.7 | Confident | 24 Ų | 24 | 68.1 Ų | 68.1 | 17% | 0.168 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61 | -44.2 | 173.5 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | Y1030 A1037 C1038 | Y1030-S1034 VanDerWaalsContact O-CB 3.27Å; Y1030-S1034 WeakPolarHBondContact O-CB 3.2Å; Y1030-S1034 PolarHBondContact O-N 3.22Å; Y1030-S1034 PolarHBondContact O-OG 2.86Å; S1034-A1037 PolarHBondContact O-N 2.83Å; S1034-C1038 WeakPolarHBondContact O-CB 3.33Å; S1034-C1038 PolarHBondContact O-N 3.38Å; S1034-C1038 PolarHBondContact O-SG 3.33Å |
| 1035 | L | 83.8 | Confident | 78.7 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 174 | -73.4 | 178.1 | 0 | 0 | 0 | 112.2 | Y1031 C1032 D1033 C1038 L1039 | Y1031-L1035 HydrophobicContact CD1-CD1 3.87Å; Y1031-L1035 HydrophobicContact CE1-CD1 3.38Å; Y1031-L1035 HydrophobicContact CE1-CG 4.27Å; Y1031-L1035 WeakPolarHBondContact O-CB 3.35Å; Y1031-L1035 VanDerWaalsContact O-CG 3.31Å; Y1031-L1035 WeakPolarHBondContact O-CG 3.23Å; Y1031-L1035 PolarHBondContact O-N 2.84Å; C1032-L1035 PolarHBondContact O-N 3.27Å; D1033-L1035 VanDerWaalsContact C-N 3.34Å; D1033-L1035 PolarHBondContact O-N 3.39Å; L1035-C1038 PolarHBondContact O-N 2.79Å; L1035-L1039 VanDerWaalsContact O-CB 3.3Å; L1035-L1039 WeakPolarHBondContact O-CB 3.35Å; L1035-L1039 PolarHBondContact O-N 3.13Å |
| 1036 | K | 83.1 | Confident | 78.2 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.5 | -167.3 | 176.8 | -174.7 | 177.4 | 0 | 110.9 | D1005 L1020 C1032 D1033 L1039 V1040 | D1005-K1036 IonicContact OD1-NZ 3.1Å; D1005-K1036 PolarHBondContact OD1-NZ 3.02Å; L1020-K1036 HydrophobicContact CD1-CB 4.33Å; L1020-K1036 HydrophobicContact CD1-CD 4.22Å; L1020-K1036 HydrophobicContact CD1-CG 4.15Å; C1032-K1036 WeakPolarHBondContact O-CB 3.34Å; C1032-K1036 PolarHBondContact O-N 3.32Å; D1033-K1036 CarbonylContact O-C 3.54Å; D1033-K1036 PolarHBondContact O-N 2.94Å; K1036-L1039 PolarHBondContact O-N 3.38Å; K1036-V1040 VanDerWaalsContact O-CG2 3.22Å; K1036-V1040 WeakPolarHBondContact O-CG2 3.25Å; K1036-V1040 PolarHBondContact O-N 3.28Å |
| 1037 | A | 83.3 | Confident | 78 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 3% | 0.025 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1017 L1020 L1021 D1033 S1034 L1039 V1040 T1041 | V1017-A1037 HydrophobicContact CG1-CB 4.19Å; L1020-A1037 HydrophobicContact CB-CB 4.25Å; L1020-A1037 HydrophobicContact CD1-CB 4.5Å; L1021-A1037 HydrophobicContact CD2-CB 4.1Å; L1021-A1037 HydrophobicContact CG-CB 4.29Å; D1033-A1037 WeakPolarHBondContact O-CB 3.43Å; D1033-A1037 PolarHBondContact O-N 3.42Å; S1034-A1037 PolarHBondContact O-N 2.83Å; A1037-L1039 VanDerWaalsContact C-N 3.32Å; A1037-L1039 PolarHBondContact O-N 3.12Å; A1037-V1040 PolarHBondContact O-N 3.37Å; A1037-T1041 WeakPolarHBondContact O-CG2 3.34Å; A1037-T1041 PolarHBondContact O-N 3.37Å; A1037-T1041 PolarHBondContact O-OG1 3.11Å |
| 1038 | C | 82 | Confident | 77.8 | Confident | 74 Ų | 74 | 66.5 Ų | 66.5 | 50% | 0.5 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 172.6 | -71.4 | 0 | 0 | 0 | 0 | 111.9 | S1034 L1035 T1041 T1042 | S1034-C1038 WeakPolarHBondContact O-CB 3.33Å; S1034-C1038 PolarHBondContact O-N 3.38Å; S1034-C1038 PolarHBondContact O-SG 3.33Å; L1035-C1038 PolarHBondContact O-N 2.79Å; C1038-T1041 WeakPolarHBondContact CA-OG1 3.48Å; C1038-T1041 PolarHBondContact O-OG1 3.04Å; C1038-T1042 WeakPolarHBondContact O-CB 3.2Å; C1038-T1042 WeakPolarHBondContact O-CG2 3.46Å; C1038-T1042 PolarHBondContact O-N 2.95Å; C1038-T1042 VanDerWaalsContact O-N 3.11Å; C1038-T1042 PolarHBondContact O-OG1 2.71Å |
| 1039 | L | 81.8 | Confident | 77.5 | Confident | 60 Ų | 60 | 62.3 Ų | 62.3 | 31% | 0.314 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.8 | -50.2 | 177.4 | -179.7 | 64.8 | 0 | 0 | 0 | 110.9 | L1035 K1036 A1037 T1041 T1042 I1043 I1053 L1072 | L1035-L1039 VanDerWaalsContact O-CB 3.3Å; L1035-L1039 WeakPolarHBondContact O-CB 3.35Å; L1035-L1039 PolarHBondContact O-N 3.13Å; K1036-L1039 PolarHBondContact O-N 3.38Å; A1037-L1039 VanDerWaalsContact C-N 3.32Å; A1037-L1039 PolarHBondContact O-N 3.12Å; L1039-T1041 VanDerWaalsContact C-N 3.3Å; L1039-T1041 PolarHBondContact O-N 2.91Å; L1039-T1042 PolarHBondContact O-N 2.81Å; L1039-T1042 PolarHBondContact O-OG1 3Å; L1039-I1043 HydrophobicContact CD1-CD1 3.79Å; L1039-I1043 HydrophobicContact CD1-CG1 3.94Å; L1039-I1043 HydrophobicContact CD2-CD1 4.36Å; L1039-I1043 HydrophobicContact CG-CD1 3.59Å; L1039-I1043 HydrophobicContact CG-CG1 4.23Å; L1039-I1043 WeakPolarHBondContact O-CB 3.48Å; L1039-I1043 WeakPolarHBondContact O-CD1 3.19Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; L1039-I1043 PolarHBondContact O-N 3.02Å; L1039-I1043 VanDerWaalsContact O-N 3.1Å; L1039-I1053 HydrophobicContact CD1-CD1 4.04Å; L1039-I1053 HydrophobicContact CD1-CG1 4.48Å; L1039-L1072 HydrophobicContact CD2-CD2 4.09Å |
| 1040 | V | 81.3 | Confident | 77.5 | Confident | 9 Ų | 9 | 63.7 Ų | 63.7 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 179.7 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | L1008 T1013 V1017 K1036 A1037 L1075 | L1008-V1040 HydrophobicContact CD2-CG1 3.9Å; L1008-V1040 HydrophobicContact CD2-CG2 3.92Å; T1013-V1040 HydrophobicContact CG2-CG1 4.07Å; V1017-V1040 HydrophobicContact CG2-CB 4Å; V1017-V1040 HydrophobicContact CG2-CG1 3.66Å; K1036-V1040 VanDerWaalsContact O-CG2 3.22Å; K1036-V1040 WeakPolarHBondContact O-CG2 3.25Å; K1036-V1040 PolarHBondContact O-N 3.28Å; A1037-V1040 PolarHBondContact O-N 3.37Å; V1040-L1075 HydrophobicContact CG1-CD2 4.39Å; V1040-L1075 HydrophobicContact CG2-CD1 3.86Å; V1040-L1075 HydrophobicContact CG2-CD2 4.07Å |
| 1041 | T | 76.9 | Confident | 77.5 | Confident | 78 Ų | 78 | 63 Ų | 63 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -72.1 | -28.1 | 179.9 | 48.6 | 0 | 0 | 0 | 0 | 113.9 | V1017 A1037 C1038 L1039 | V1017-T1041 HydrophobicContact CG1-CG2 3.96Å; V1017-T1041 HydrophobicContact CG2-CG2 3.89Å; A1037-T1041 WeakPolarHBondContact O-CG2 3.34Å; A1037-T1041 PolarHBondContact O-N 3.37Å; A1037-T1041 PolarHBondContact O-OG1 3.11Å; C1038-T1041 WeakPolarHBondContact CA-OG1 3.48Å; C1038-T1041 PolarHBondContact O-OG1 3.04Å; L1039-T1041 VanDerWaalsContact C-N 3.3Å; L1039-T1041 PolarHBondContact O-N 2.91Å |
| 1042 | T | 75.5 | Confident | 77.5 | Confident | 81 Ų | 81 | 59.6 Ų | 59.6 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -91.7 | -21.5 | -175.8 | 52.8 | 0 | 0 | 0 | 0 | 114.4 | C1038 L1039 T1044 S1045 | C1038-T1042 WeakPolarHBondContact O-CB 3.2Å; C1038-T1042 WeakPolarHBondContact O-CG2 3.46Å; C1038-T1042 PolarHBondContact O-N 2.95Å; C1038-T1042 VanDerWaalsContact O-N 3.11Å; C1038-T1042 PolarHBondContact O-OG1 2.71Å; L1039-T1042 PolarHBondContact O-N 2.81Å; L1039-T1042 PolarHBondContact O-OG1 3Å; T1042-T1044 PolarHBondContact O-N 2.94Å; T1042-T1044 VanDerWaalsContact O-N 3.12Å; T1042-S1045 PolarHBondContact O-OG 2.9Å |
| 1043 | I | 69.8 | Low | 77.6 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -60.4 | -22.7 | -174.3 | -83.8 | 166.7 | 0 | 0 | 0 | 114 | L1039 S1045 I1053 L1075 I1076 | L1039-I1043 HydrophobicContact CD1-CD1 3.79Å; L1039-I1043 HydrophobicContact CD1-CG1 3.94Å; L1039-I1043 HydrophobicContact CD2-CD1 4.36Å; L1039-I1043 HydrophobicContact CG-CD1 3.59Å; L1039-I1043 HydrophobicContact CG-CG1 4.23Å; L1039-I1043 WeakPolarHBondContact O-CB 3.48Å; L1039-I1043 WeakPolarHBondContact O-CD1 3.19Å; L1039-I1043 WeakPolarHBondContact O-CG1 3.49Å; L1039-I1043 PolarHBondContact O-N 3.02Å; L1039-I1043 VanDerWaalsContact O-N 3.1Å; I1043-S1045 PolarHBondContact O-N 2.88Å; I1043-I1053 HydrophobicContact CD1-CD1 3.69Å; I1043-I1053 HydrophobicContact CG1-CD1 3.49Å; I1043-I1053 VanDerWaalsContact CG1-CD1 3.49Å; I1043-L1075 HydrophobicContact CD1-CB 4.11Å; I1043-L1075 HydrophobicContact CD1-CD1 4.35Å; I1043-L1075 WeakPolarHBondContact CG2-O 3.34Å; I1043-I1076 HydrophobicContact CG2-CG2 4.12Å |
| 1044 | T | 63 | Low | 77.7 | Confident | 126 Ų | 126 | 59.7 Ų | 59.7 | 77% | 0.773 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -71 | -0.2 | -174.7 | 53.9 | 0 | 0 | 0 | 0 | 114.6 | T1042 | T1042-T1044 PolarHBondContact O-N 2.94Å; T1042-T1044 VanDerWaalsContact O-N 3.12Å |
| 1045 | S | 56.8 | Low | 77.9 | Confident | 97 Ų | 97 | 64 Ų | 64 | 68% | 0.678 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -125.9 | -12.9 | -162.1 | 67.2 | 0 | 0 | 0 | 0 | 118.8 | T1042 I1043 | T1042-S1045 PolarHBondContact O-OG 2.9Å; I1043-S1045 PolarHBondContact O-N 2.88Å |
| 1046 | S | 66.9 | Low | 78.1 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 38% | 0.378 | 39% | 0.386 | S | S | . | . | trans | -147.4 | 131.3 | -178.5 | 78.3 | 0 | 0 | 0 | 0 | 117.5 | S1049 Q1050 | S1046-S1049 PolarHBondContact O-N 3.25Å; S1046-S1049 PolarHBondContact O-OG 3.34Å; S1046-S1049 VanDerWaalsContact OG-CB 3.3Å; S1046-S1049 WeakPolarHBondContact OG-CB 3.27Å; S1046-S1049 PolarHBondContact OG-OG 2.99Å; S1046-Q1050 PolarHBondContact O-N 3.26Å | ||
| 1047 | G | 72.8 | Confident | 78.3 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | S1049 Q1050 S1051 | G1047-S1049 VanDerWaalsContact C-N 3.33Å; G1047-S1049 PolarHBondContact O-N 3.11Å; G1047-Q1050 PolarHBondContact O-N 3.39Å; G1047-S1051 PolarHBondContact O-N 3.48Å; G1047-S1051 PolarHBondContact O-OG 3.3Å |
| 1048 | P | 76.5 | Confident | 78.5 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 65% | 0.649 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -37 | 175.3 | -24.8 | 35 | 0 | 0 | 0 | 113.1 | S1051 T1052 | P1048-S1051 PolarHBondContact O-N 2.84Å; P1048-T1052 PolarHBondContact O-N 3.34Å; P1048-T1052 PolarHBondContact O-OG1 3.39Å |
| 1049 | S | 75.3 | Confident | 79.1 | Confident | 34 Ų | 34 | 63.1 Ų | 63.1 | 24% | 0.238 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 178.6 | 72.6 | 0 | 0 | 0 | 0 | 112.2 | S1046 G1047 S1051 T1052 I1053 | S1046-S1049 PolarHBondContact O-N 3.25Å; S1046-S1049 PolarHBondContact O-OG 3.34Å; S1046-S1049 VanDerWaalsContact OG-CB 3.3Å; S1046-S1049 WeakPolarHBondContact OG-CB 3.27Å; S1046-S1049 PolarHBondContact OG-OG 2.99Å; G1047-S1049 VanDerWaalsContact C-N 3.33Å; G1047-S1049 PolarHBondContact O-N 3.11Å; S1049-S1051 VanDerWaalsContact C-N 3.29Å; S1049-S1051 PolarHBondContact O-N 2.78Å; S1049-T1052 PolarHBondContact O-N 3.3Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.34Å; S1049-I1053 VanDerWaalsContact O-CG1 3.26Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.43Å; S1049-I1053 PolarHBondContact O-N 3.25Å |
| 1050 | Q | 81 | Confident | 79.4 | Confident | 65 Ų | 65 | 63.1 Ų | 63.1 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 175.6 | -67.5 | -172.4 | -12.5 | 0 | 0 | 112.4 | S1046 G1047 I1053 K1054 I1076 | S1046-Q1050 PolarHBondContact O-N 3.26Å; G1047-Q1050 PolarHBondContact O-N 3.39Å; Q1050-I1053 PolarHBondContact O-N 3.03Å; Q1050-K1054 WeakPolarHBondContact O-CB 3.48Å; Q1050-K1054 PolarHBondContact O-N 2.78Å; Q1050-I1076 HydrophobicContact CB-CB 4.44Å; Q1050-I1076 HydrophobicContact CB-CG2 4.34Å; Q1050-I1076 HydrophobicContact CG-CB 4.25Å; Q1050-I1076 HydrophobicContact CG-CG2 4.15Å |
| 1051 | S | 83 | Confident | 79.8 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -66.7 | -43.5 | 178.1 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | G1047 P1048 S1049 K1054 L1055 | G1047-S1051 PolarHBondContact O-N 3.48Å; G1047-S1051 PolarHBondContact O-OG 3.3Å; P1048-S1051 PolarHBondContact O-N 2.84Å; S1049-S1051 VanDerWaalsContact C-N 3.29Å; S1049-S1051 PolarHBondContact O-N 2.78Å; S1051-K1054 PolarHBondContact O-N 2.87Å; S1051-L1055 PolarHBondContact O-N 3.45Å; S1051-L1055 VanDerWaalsContact O-N 3.11Å |
| 1052 | T | 83.8 | Confident | 80.3 | Confident | 92 Ų | 92 | 62.4 Ų | 62.4 | 56% | 0.564 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 175.6 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | P1048 S1049 K1054 L1055 V1056 | P1048-T1052 PolarHBondContact O-N 3.34Å; P1048-T1052 PolarHBondContact O-OG1 3.39Å; S1049-T1052 PolarHBondContact O-N 3.3Å; T1052-K1054 VanDerWaalsContact C-N 3.33Å; T1052-K1054 PolarHBondContact O-N 3.12Å; T1052-L1055 WeakPolarHBondContact O-CB 3.4Å; T1052-L1055 PolarHBondContact O-N 3.04Å; T1052-L1055 VanDerWaalsContact O-N 3.16Å; T1052-V1056 WeakPolarHBondContact O-CG2 3.37Å; T1052-V1056 PolarHBondContact O-N 3.43Å |
| 1053 | I | 85 | Confident | 81.1 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 9% | 0.087 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 178.4 | -67 | 160.4 | 0 | 0 | 0 | 110.9 | L1039 I1043 S1049 Q1050 L1055 V1056 A1057 L1072 I1076 | L1039-I1053 HydrophobicContact CD1-CD1 4.04Å; L1039-I1053 HydrophobicContact CD1-CG1 4.48Å; I1043-I1053 HydrophobicContact CD1-CD1 3.69Å; I1043-I1053 HydrophobicContact CG1-CD1 3.49Å; I1043-I1053 VanDerWaalsContact CG1-CD1 3.49Å; S1049-I1053 WeakPolarHBondContact O-CD1 3.34Å; S1049-I1053 VanDerWaalsContact O-CG1 3.26Å; S1049-I1053 WeakPolarHBondContact O-CG1 3.43Å; S1049-I1053 PolarHBondContact O-N 3.25Å; Q1050-I1053 PolarHBondContact O-N 3.03Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.06Å; I1053-V1056 PolarHBondContact O-N 3.08Å; I1053-A1057 VanDerWaalsContact O-CB 3.31Å; I1053-A1057 WeakPolarHBondContact O-CB 3.33Å; I1053-A1057 PolarHBondContact O-N 3.47Å; I1053-L1072 HydrophobicContact CG2-CB 4.16Å; I1053-L1072 HydrophobicContact CG2-CD2 4.41Å; I1053-I1076 HydrophobicContact CB-CG2 3.96Å; I1053-I1076 HydrophobicContact CD1-CG2 4.02Å; I1053-I1076 HydrophobicContact CG2-CG2 3.66Å |
| 1054 | K | 86.5 | Confident | 81.7 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 173.7 | -173 | 174.3 | -172.5 | 167.4 | 0 | 111 | Q1050 S1051 T1052 A1057 T1058 L1073 I1076 D1081 | Q1050-K1054 WeakPolarHBondContact O-CB 3.48Å; Q1050-K1054 PolarHBondContact O-N 2.78Å; S1051-K1054 PolarHBondContact O-N 2.87Å; T1052-K1054 VanDerWaalsContact C-N 3.33Å; T1052-K1054 PolarHBondContact O-N 3.12Å; K1054-A1057 PolarHBondContact O-N 3.23Å; K1054-T1058 WeakPolarHBondContact O-CG2 3.39Å; K1054-T1058 PolarHBondContact O-N 2.93Å; K1054-T1058 PolarHBondContact O-OG1 2.77Å; K1054-L1073 HydrophobicContact CG-CD2 4.11Å; K1054-I1076 HydrophobicContact CB-CD1 3.83Å; K1054-I1076 HydrophobicContact CG-CD1 4.44Å; K1054-D1081 WeakPolarHBondContact CE-OD2 3.14Å; K1054-D1081 IonicContact NZ-OD2 3.17Å; K1054-D1081 PolarHBondContact NZ-OD2 2.96Å |
| 1055 | L | 86.9 | Confident | 82.9 | Confident | 116 Ų | 116 | 66.3 Ų | 66.3 | 61% | 0.607 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.5 | -44.8 | 179.3 | -166.8 | 141.9 | 0 | 0 | 0 | 111.6 | S1051 T1052 I1053 A1057 T1058 N1059 | S1051-L1055 PolarHBondContact O-N 3.45Å; S1051-L1055 VanDerWaalsContact O-N 3.11Å; T1052-L1055 WeakPolarHBondContact O-CB 3.4Å; T1052-L1055 PolarHBondContact O-N 3.04Å; T1052-L1055 VanDerWaalsContact O-N 3.16Å; I1053-L1055 VanDerWaalsContact C-N 3.31Å; I1053-L1055 PolarHBondContact O-N 3.06Å; L1055-A1057 PolarHBondContact O-N 2.82Å; L1055-T1058 WeakPolarHBondContact CA-OG1 3.38Å; L1055-T1058 PolarHBondContact O-N 2.97Å; L1055-T1058 PolarHBondContact O-OG1 3.33Å; L1055-N1059 WeakPolarHBondContact O-CB 3.5Å; L1055-N1059 PolarHBondContact O-N 3.01Å |
| 1056 | V | 88.1 | Confident | 84.4 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 39% | 0.388 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.5 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | T1052 I1053 T1058 N1059 M1060 L1072 | T1052-V1056 WeakPolarHBondContact O-CG2 3.37Å; T1052-V1056 PolarHBondContact O-N 3.43Å; I1053-V1056 PolarHBondContact O-N 3.08Å; V1056-T1058 PolarHBondContact O-N 3.38Å; V1056-N1059 PolarHBondContact O-N 3.14Å; V1056-M1060 HydrophobicContact CG1-CE 4.45Å; V1056-M1060 HydrophobicContact CG1-SD 4.35Å; V1056-M1060 WeakPolarHBondContact O-CG 3.49Å; V1056-M1060 PolarHBondContact O-N 2.85Å; V1056-L1072 HydrophobicContact CG1-CD1 4.23Å |
| 1057 | A | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1053 K1054 L1055 N1059 M1060 I1061 L1072 L1073 | I1053-A1057 VanDerWaalsContact O-CB 3.31Å; I1053-A1057 WeakPolarHBondContact O-CB 3.33Å; I1053-A1057 PolarHBondContact O-N 3.47Å; K1054-A1057 PolarHBondContact O-N 3.23Å; L1055-A1057 PolarHBondContact O-N 2.82Å; A1057-N1059 VanDerWaalsContact C-N 3.34Å; A1057-N1059 PolarHBondContact O-N 3Å; A1057-M1060 PolarHBondContact O-N 2.87Å; A1057-I1061 VanDerWaalsContact O-CG1 3.28Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.37Å; A1057-I1061 PolarHBondContact O-N 2.9Å; A1057-L1072 HydrophobicContact CB-CB 3.81Å; A1057-L1072 HydrophobicContact CB-CD1 4.31Å; A1057-L1073 HydrophobicContact CB-CD2 3.93Å; A1057-L1073 HydrophobicContact CB-CG 3.83Å |
| 1058 | T | 88.7 | Confident | 85.9 | Confident | 42 Ų | 42 | 63.9 Ų | 63.9 | 26% | 0.258 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.6 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | K1054 L1055 V1056 I1061 A1062 Y1085 | K1054-T1058 WeakPolarHBondContact O-CG2 3.39Å; K1054-T1058 PolarHBondContact O-N 2.93Å; K1054-T1058 PolarHBondContact O-OG1 2.77Å; L1055-T1058 WeakPolarHBondContact CA-OG1 3.38Å; L1055-T1058 PolarHBondContact O-N 2.97Å; L1055-T1058 PolarHBondContact O-OG1 3.33Å; V1056-T1058 PolarHBondContact O-N 3.38Å; T1058-I1061 PolarHBondContact O-N 3.02Å; T1058-A1062 WeakPolarHBondContact O-CB 3.41Å; T1058-A1062 PolarHBondContact O-N 3.41Å; T1058-Y1085 HydrophobicContact CG2-CE2 4.23Å; T1058-Y1085 WeakPolarHBondContact CG2-OH 3.33Å |
| 1059 | N | 92.6 | Very high | 86.5 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 47% | 0.465 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 174.9 | -168.4 | -10.7 | 0 | 0 | 0 | 111.4 | L1055 V1056 A1057 I1061 A1062 N1063 | L1055-N1059 WeakPolarHBondContact O-CB 3.5Å; L1055-N1059 PolarHBondContact O-N 3.01Å; V1056-N1059 PolarHBondContact O-N 3.14Å; A1057-N1059 VanDerWaalsContact C-N 3.34Å; A1057-N1059 PolarHBondContact O-N 3Å; N1059-I1061 PolarHBondContact O-N 2.93Å; N1059-A1062 PolarHBondContact O-N 3.22Å; N1059-N1063 PolarHBondContact O-N 2.8Å; N1059-N1063 PolarHBondContact O-ND2 3.35Å; N1059-N1063 VanDerWaalsContact O-ND2 3.1Å; N1059-N1063 PolarHBondContact OD1-ND2 2.73Å |
| 1060 | M | 88.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 57.6 Ų | 57.6 | 29% | 0.291 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.3 | -75.9 | -175.8 | 158.5 | 0 | 0 | 112.6 | V1056 A1057 N1063 G1064 K1065 E1068 L1072 | V1056-M1060 HydrophobicContact CG1-CE 4.45Å; V1056-M1060 HydrophobicContact CG1-SD 4.35Å; V1056-M1060 WeakPolarHBondContact O-CG 3.49Å; V1056-M1060 PolarHBondContact O-N 2.85Å; A1057-M1060 PolarHBondContact O-N 2.87Å; M1060-N1063 PolarHBondContact O-N 2.97Å; M1060-G1064 PolarHBondContact O-N 2.89Å; M1060-K1065 HydrophobicContact CB-CB 4.4Å; M1060-K1065 WeakPolarHBondContact O-CA 3.32Å; M1060-K1065 PolarHBondContact O-N 3.15Å; M1060-E1068 HydrophobicContact SD-CB 4.28Å; M1060-L1072 HydrophobicContact SD-CD1 3.7Å |
| 1061 | I | 90.6 | Very high | 87.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176 | -67.4 | 167.4 | 0 | 0 | 0 | 110.4 | A1057 T1058 N1059 N1063 G1064 L1066 L1073 Y1085 Y1089 | A1057-I1061 VanDerWaalsContact O-CG1 3.28Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.37Å; A1057-I1061 PolarHBondContact O-N 2.9Å; T1058-I1061 PolarHBondContact O-N 3.02Å; N1059-I1061 PolarHBondContact O-N 2.93Å; I1061-N1063 PolarHBondContact O-N 3.11Å; I1061-G1064 PolarHBondContact O-N 3.35Å; I1061-L1066 HydrophobicContact CG1-CD1 4.3Å; I1061-L1066 HydrophobicContact CG2-CD1 3.84Å; I1061-L1073 HydrophobicContact CD1-CD1 3.79Å; I1061-Y1085 HydrophobicContact CD1-CD1 4.49Å; I1061-Y1085 HydrophobicContact CD1-CD2 3.82Å; I1061-Y1085 HydrophobicContact CD1-CE2 4.36Å; I1061-Y1085 HydrophobicContact CD1-CG 3.91Å; I1061-Y1085 HydrophobicContact CG2-CD1 4.05Å; I1061-Y1085 HydrophobicContact CG2-CG 4.32Å; I1061-Y1089 HydrophobicContact CG2-CD2 4.32Å; I1061-Y1089 HydrophobicContact CG2-CE2 3.5Å; I1061-Y1089 PolarHBondContact O-OH 3.42Å |
| 1062 | A | 87.4 | Confident | 87.5 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 58% | 0.579 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.8 | -33.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1058 N1059 G1064 | T1058-A1062 WeakPolarHBondContact O-CB 3.41Å; T1058-A1062 PolarHBondContact O-N 3.41Å; N1059-A1062 PolarHBondContact O-N 3.22Å; A1062-G1064 VanDerWaalsContact C-N 3.27Å; A1062-G1064 PolarHBondContact O-N 3.35Å |
| 1063 | N | 90.9 | Very high | 87.7 | Confident | 120 Ų | 120 | 48 Ų | 48 | 64% | 0.642 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 12.9 | 176.6 | -66.4 | -36.2 | 0 | 0 | 0 | 114.2 | N1059 M1060 I1061 K1065 | N1059-N1063 PolarHBondContact O-N 2.8Å; N1059-N1063 PolarHBondContact O-ND2 3.35Å; N1059-N1063 VanDerWaalsContact O-ND2 3.1Å; N1059-N1063 PolarHBondContact OD1-ND2 2.73Å; M1060-N1063 PolarHBondContact O-N 2.97Å; I1061-N1063 PolarHBondContact O-N 3.11Å; N1063-K1065 PolarHBondContact O-N 3.1Å |
| 1064 | G | 84.4 | Confident | 87.8 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 64% | 0.639 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | 2.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | M1060 I1061 A1062 L1066 | M1060-G1064 PolarHBondContact O-N 2.89Å; I1061-G1064 PolarHBondContact O-N 3.35Å; A1062-G1064 VanDerWaalsContact C-N 3.27Å; A1062-G1064 PolarHBondContact O-N 3.35Å; G1064-L1066 VanDerWaalsContact C-N 3.3Å; G1064-L1066 PolarHBondContact O-N 3.15Å |
| 1065 | K | 88.1 | Confident | 87.6 | Confident | 113 Ų | 113 | 44.8 Ų | 44.8 | 49% | 0.491 | 26% | 0.264 | S | S | . | . | trans | -90.7 | 62.3 | 174.3 | -63.3 | -163.1 | -179.6 | -172.5 | 0 | 111.6 | M1060 N1063 A1067 E1068 G1069 | M1060-K1065 HydrophobicContact CB-CB 4.4Å; M1060-K1065 WeakPolarHBondContact O-CA 3.32Å; M1060-K1065 PolarHBondContact O-N 3.15Å; N1063-K1065 PolarHBondContact O-N 3.1Å; K1065-A1067 PolarHBondContact O-N 3.04Å; K1065-E1068 VanDerWaalsContact CD-OE2 3.25Å; K1065-E1068 WeakPolarHBondContact CD-OE2 3.29Å; K1065-E1068 IonicContact NZ-OE2 3.3Å; K1065-G1069 PolarHBondContact O-N 3.21Å | ||
| 1066 | L | 88.4 | Confident | 87.5 | Confident | 26 Ų | 26 | 39.5 Ų | 39.5 | 14% | 0.136 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.7 | -44.5 | -173.8 | -173.8 | 67 | 0 | 0 | 0 | 113 | I1061 G1064 G1069 V1070 L1086 Y1089 E1091 | I1061-L1066 HydrophobicContact CG1-CD1 4.3Å; I1061-L1066 HydrophobicContact CG2-CD1 3.84Å; G1064-L1066 VanDerWaalsContact C-N 3.3Å; G1064-L1066 PolarHBondContact O-N 3.15Å; L1066-G1069 PolarHBondContact O-N 3.38Å; L1066-V1070 HydrophobicContact CD1-CG2 4.27Å; L1066-V1070 HydrophobicContact CG-CG2 4.36Å; L1066-V1070 WeakPolarHBondContact O-CB 2.98Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.16Å; L1066-V1070 PolarHBondContact O-N 3.05Å; L1066-L1086 HydrophobicContact CD1-CD2 4.44Å; L1066-L1086 HydrophobicContact CD2-CD2 3.79Å; L1066-L1086 HydrophobicContact CG-CD2 3.99Å; L1066-Y1089 HydrophobicContact CD1-CD2 3.86Å; L1066-Y1089 HydrophobicContact CD1-CE2 4.32Å; L1066-Y1089 HydrophobicContact CD1-CG 4.26Å; L1066-Y1089 HydrophobicContact CD2-CG 4.36Å; L1066-E1091 HydrophobicContact CD2-CG 4.05Å |
| 1067 | A | 85.3 | Confident | 87.2 | Confident | 46 Ų | 46 | 41.8 Ų | 41.8 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.1 | -45 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1065 Q1071 | K1065-A1067 PolarHBondContact O-N 3.04Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.36Å; A1067-Q1071 PolarHBondContact O-N 2.97Å |
| 1068 | E | 85.9 | Confident | 87.1 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 35% | 0.346 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.4 | -42 | 179.2 | -65.2 | 178.7 | 178.8 | 0 | 0 | 110.9 | M1060 K1065 Q1071 L1072 | M1060-E1068 HydrophobicContact SD-CB 4.28Å; K1065-E1068 VanDerWaalsContact CD-OE2 3.25Å; K1065-E1068 WeakPolarHBondContact CD-OE2 3.29Å; K1065-E1068 IonicContact NZ-OE2 3.3Å; E1068-Q1071 WeakPolarHBondContact O-CB 3.17Å; E1068-Q1071 PolarHBondContact O-N 3.17Å; E1068-L1072 WeakPolarHBondContact O-CG 3.09Å; E1068-L1072 PolarHBondContact O-N 3.41Å |
| 1069 | G | 87.7 | Confident | 87 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K1065 L1066 Q1071 L1072 L1073 | K1065-G1069 PolarHBondContact O-N 3.21Å; L1066-G1069 PolarHBondContact O-N 3.38Å; G1069-Q1071 VanDerWaalsContact C-N 3.32Å; G1069-Q1071 PolarHBondContact O-N 3.46Å; G1069-L1072 PolarHBondContact O-N 3.21Å; G1069-L1073 WeakPolarHBondContact O-CG 3.46Å; G1069-L1073 PolarHBondContact O-N 2.97Å |
| 1070 | V | 88.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 174.3 | 163.5 | 0 | 0 | 0 | 0 | 111.1 | L1066 L1073 C1074 A1082 L1086 L1098 | L1066-V1070 HydrophobicContact CD1-CG2 4.27Å; L1066-V1070 HydrophobicContact CG-CG2 4.36Å; L1066-V1070 WeakPolarHBondContact O-CB 2.98Å; L1066-V1070 WeakPolarHBondContact O-CG2 3.16Å; L1066-V1070 PolarHBondContact O-N 3.05Å; V1070-L1073 PolarHBondContact O-N 3.26Å; V1070-C1074 PolarHBondContact O-N 2.94Å; V1070-C1074 PolarHBondContact O-SG 2.93Å; V1070-A1082 HydrophobicContact CB-CB 4.44Å; V1070-A1082 HydrophobicContact CG1-CB 4.06Å; V1070-A1082 HydrophobicContact CG2-CB 4.36Å; V1070-L1086 HydrophobicContact CG1-CD1 4.22Å; V1070-L1086 HydrophobicContact CG2-CD1 4.34Å; V1070-L1086 HydrophobicContact CG2-CD2 3.87Å; V1070-L1086 HydrophobicContact CG2-CG 3.85Å; V1070-L1098 HydrophobicContact CG1-CD2 3.91Å |
| 1071 | Q | 86.6 | Confident | 86.7 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.7 | -174.9 | 179.5 | 34.7 | 0 | 0 | 111.6 | D1005 A1067 E1068 G1069 L1073 C1074 L1075 | D1005-Q1071 PolarHBondContact OD1-NE2 3.14Å; D1005-Q1071 PolarHBondContact OD1-OE1 2.83Å; A1067-Q1071 WeakPolarHBondContact O-CB 3.36Å; A1067-Q1071 PolarHBondContact O-N 2.97Å; E1068-Q1071 WeakPolarHBondContact O-CB 3.17Å; E1068-Q1071 PolarHBondContact O-N 3.17Å; G1069-Q1071 VanDerWaalsContact C-N 3.32Å; G1069-Q1071 PolarHBondContact O-N 3.46Å; Q1071-L1073 VanDerWaalsContact C-N 3.32Å; Q1071-L1073 PolarHBondContact O-N 3.02Å; Q1071-C1074 WeakPolarHBondContact O-CB 3.2Å; Q1071-C1074 PolarHBondContact O-N 2.83Å; Q1071-C1074 VanDerWaalsContact O-N 3.12Å; Q1071-L1075 WeakPolarHBondContact O-CG 3.45Å; Q1071-L1075 PolarHBondContact O-N 3.26Å; Q1071-L1075 VanDerWaalsContact O-N 3.12Å |
| 1072 | L | 86.4 | Confident | 86.6 | Confident | 23 Ų | 23 | 39.8 Ų | 39.8 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -39.6 | 176.8 | -71.6 | 175.2 | 0 | 0 | 0 | 112.5 | L1039 I1053 V1056 A1057 M1060 E1068 G1069 C1074 L1075 I1076 | L1039-L1072 HydrophobicContact CD2-CD2 4.09Å; I1053-L1072 HydrophobicContact CG2-CB 4.16Å; I1053-L1072 HydrophobicContact CG2-CD2 4.41Å; V1056-L1072 HydrophobicContact CG1-CD1 4.23Å; A1057-L1072 HydrophobicContact CB-CB 3.81Å; A1057-L1072 HydrophobicContact CB-CD1 4.31Å; M1060-L1072 HydrophobicContact SD-CD1 3.7Å; E1068-L1072 WeakPolarHBondContact O-CG 3.09Å; E1068-L1072 PolarHBondContact O-N 3.41Å; G1069-L1072 PolarHBondContact O-N 3.21Å; L1072-C1074 VanDerWaalsContact C-N 3.32Å; L1072-C1074 PolarHBondContact O-N 2.9Å; L1072-L1075 HydrophobicContact CD2-CD1 4.36Å; L1072-L1075 PolarHBondContact O-N 2.76Å; L1072-I1076 PolarHBondContact O-N 2.98Å |
| 1073 | L | 87.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65 | -35.2 | 174.7 | -70.8 | 174.5 | 0 | 0 | 0 | 112.4 | K1054 A1057 I1061 G1069 V1070 Q1071 L1075 I1076 K1078 A1082 Y1085 | K1054-L1073 HydrophobicContact CG-CD2 4.11Å; A1057-L1073 HydrophobicContact CB-CD2 3.93Å; A1057-L1073 HydrophobicContact CB-CG 3.83Å; I1061-L1073 HydrophobicContact CD1-CD1 3.79Å; G1069-L1073 WeakPolarHBondContact O-CG 3.46Å; G1069-L1073 PolarHBondContact O-N 2.97Å; V1070-L1073 PolarHBondContact O-N 3.26Å; Q1071-L1073 VanDerWaalsContact C-N 3.32Å; Q1071-L1073 PolarHBondContact O-N 3.02Å; L1073-L1075 VanDerWaalsContact C-N 3.34Å; L1073-I1076 HydrophobicContact CD2-CD1 4.16Å; L1073-I1076 VanDerWaalsContact O-CG1 3.3Å; L1073-I1076 WeakPolarHBondContact O-CG1 3.4Å; L1073-K1078 HydrophobicContact CD2-CB 4.4Å; L1073-K1078 CarbonylContact O-C 3.59Å; L1073-K1078 WeakPolarHBondContact O-CA 3.36Å; L1073-K1078 PolarHBondContact O-N 3.32Å; L1073-A1082 HydrophobicContact CB-CB 3.78Å; L1073-A1082 HydrophobicContact CD1-CB 3.94Å; L1073-Y1085 HydrophobicContact CD1-CD2 3.81Å; L1073-Y1085 HydrophobicContact CD1-CE2 4.1Å |
| 1074 | C | 86.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.5 | -32.8 | 176.3 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L1009 V1070 Q1071 L1072 D1077 | L1009-C1074 HydrophobicContact CD2-CB 4.32Å; V1070-C1074 PolarHBondContact O-N 2.94Å; V1070-C1074 PolarHBondContact O-SG 2.93Å; Q1071-C1074 WeakPolarHBondContact O-CB 3.2Å; Q1071-C1074 PolarHBondContact O-N 2.83Å; Q1071-C1074 VanDerWaalsContact O-N 3.12Å; L1072-C1074 VanDerWaalsContact C-N 3.32Å; L1072-C1074 PolarHBondContact O-N 2.9Å; C1074-D1077 PolarHBondContact O-N 2.51Å |
| 1075 | L | 82.9 | Confident | 87.2 | Confident | 20 Ų | 20 | 37.4 Ų | 37.4 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.8 | -30.5 | 178.2 | -67 | 173.5 | 0 | 0 | 0 | 113.6 | L1008 V1040 I1043 Q1071 L1072 L1073 D1077 | L1008-L1075 HydrophobicContact CB-CD2 4.49Å; L1008-L1075 HydrophobicContact CD2-CD2 3.88Å; V1040-L1075 HydrophobicContact CG1-CD2 4.39Å; V1040-L1075 HydrophobicContact CG2-CD1 3.86Å; V1040-L1075 HydrophobicContact CG2-CD2 4.07Å; I1043-L1075 HydrophobicContact CD1-CB 4.11Å; I1043-L1075 HydrophobicContact CD1-CD1 4.35Å; I1043-L1075 WeakPolarHBondContact CG2-O 3.34Å; Q1071-L1075 WeakPolarHBondContact O-CG 3.45Å; Q1071-L1075 PolarHBondContact O-N 3.26Å; Q1071-L1075 VanDerWaalsContact O-N 3.12Å; L1072-L1075 HydrophobicContact CD2-CD1 4.36Å; L1072-L1075 PolarHBondContact O-N 2.76Å; L1073-L1075 VanDerWaalsContact C-N 3.34Å; L1075-D1077 VanDerWaalsContact C-N 3.29Å |
| 1076 | I | 84.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 17.9 | 177.1 | 62.1 | 167.4 | 0 | 0 | 0 | 112.8 | I1043 Q1050 I1053 K1054 L1072 L1073 K1078 | I1043-I1076 HydrophobicContact CG2-CG2 4.12Å; Q1050-I1076 HydrophobicContact CB-CB 4.44Å; Q1050-I1076 HydrophobicContact CB-CG2 4.34Å; Q1050-I1076 HydrophobicContact CG-CB 4.25Å; Q1050-I1076 HydrophobicContact CG-CG2 4.15Å; I1053-I1076 HydrophobicContact CB-CG2 3.96Å; I1053-I1076 HydrophobicContact CD1-CG2 4.02Å; I1053-I1076 HydrophobicContact CG2-CG2 3.66Å; K1054-I1076 HydrophobicContact CB-CD1 3.83Å; K1054-I1076 HydrophobicContact CG-CD1 4.44Å; L1072-I1076 PolarHBondContact O-N 2.98Å; L1073-I1076 HydrophobicContact CD2-CD1 4.16Å; L1073-I1076 VanDerWaalsContact O-CG1 3.3Å; L1073-I1076 WeakPolarHBondContact O-CG1 3.4Å; I1076-K1078 HydrophobicContact CD1-CB 4.08Å; I1076-K1078 HydrophobicContact CD1-CG 3.73Å; I1076-K1078 HydrophobicContact CG1-CB 3.96Å; I1076-K1078 HydrophobicContact CG1-CG 3.83Å; I1076-K1078 PolarHBondContact O-N 3.02Å; I1076-K1078 VanDerWaalsContact O-N 3.15Å |
| 1077 | D | 81.3 | Confident | 87.4 | Confident | 112 Ų | 112 | 31.6 Ų | 31.6 | 60% | 0.599 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 32.9 | -175.4 | -62.5 | -39.6 | 0 | 0 | 0 | 113.9 | C1074 L1075 R1102 | C1074-D1077 PolarHBondContact O-N 2.51Å; L1075-D1077 VanDerWaalsContact C-N 3.29Å; D1077-R1102 IonicContact OD1-CZ 2.68Å; D1077-R1102 IonicContact OD1-NH2 2.74Å; D1077-R1102 PolarHBondContact OD1-NH2 3.33Å |
| 1078 | K | 86.6 | Confident | 87.7 | Confident | 93 Ų | 93 | 34.9 Ų | 34.9 | 40% | 0.404 | 17% | 0.172 | S | C | . | . | trans | -105.8 | 38.4 | 170.2 | -60.5 | -59.3 | 178.6 | -167.8 | 0 | 111.4 | L1073 I1076 A1080 D1081 A1082 | L1073-K1078 HydrophobicContact CD2-CB 4.4Å; L1073-K1078 CarbonylContact O-C 3.59Å; L1073-K1078 WeakPolarHBondContact O-CA 3.36Å; L1073-K1078 PolarHBondContact O-N 3.32Å; I1076-K1078 HydrophobicContact CD1-CB 4.08Å; I1076-K1078 HydrophobicContact CD1-CG 3.73Å; I1076-K1078 HydrophobicContact CG1-CB 3.96Å; I1076-K1078 HydrophobicContact CG1-CG 3.83Å; I1076-K1078 PolarHBondContact O-N 3.02Å; I1076-K1078 VanDerWaalsContact O-N 3.15Å; K1078-A1080 PolarHBondContact O-N 3.37Å; K1078-D1081 HydrophobicContact CB-CB 4.47Å; K1078-D1081 PolarHBondContact O-N 2.86Å; K1078-D1081 VanDerWaalsContact O-N 3.15Å; K1078-A1082 PolarHBondContact O-N 2.78Å | ||
| 1079 | A | 86.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.033 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -29.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A1082 C1083 R1102 L1103 | A1079-A1082 VanDerWaalsContact O-CB 3.31Å; A1079-A1082 WeakPolarHBondContact O-CB 3.48Å; A1079-A1082 PolarHBondContact O-N 2.95Å; A1079-A1082 VanDerWaalsContact O-N 3.17Å; A1079-C1083 PolarHBondContact O-N 2.85Å; A1079-R1102 HydrophobicContact CB-CG 3.93Å; A1079-L1103 HydrophobicContact CB-CD2 3.64Å; A1079-L1103 HydrophobicContact CB-CG 4.48Å |
| 1080 | A | 87.9 | Confident | 87.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.5 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1078 A1082 C1083 R1084 L1103 | K1078-A1080 PolarHBondContact O-N 3.37Å; A1080-A1082 VanDerWaalsContact C-N 3.33Å; A1080-C1083 PolarHBondContact O-N 2.85Å; A1080-R1084 WeakPolarHBondContact O-CG 3.28Å; A1080-R1084 PolarHBondContact O-N 3.39Å; A1080-L1103 HydrophobicContact CB-CD2 4.05Å |
| 1081 | D | 87.8 | Confident | 87.6 | Confident | 29 Ų | 29 | 43.6 Ų | 43.6 | 16% | 0.155 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.6 | -38.7 | 172.3 | -73.6 | -16.3 | 0 | 0 | 0 | 110.2 | K1054 K1078 C1083 R1084 Y1085 | K1054-D1081 WeakPolarHBondContact CE-OD2 3.14Å; K1054-D1081 IonicContact NZ-OD2 3.17Å; K1054-D1081 PolarHBondContact NZ-OD2 2.96Å; K1078-D1081 HydrophobicContact CB-CB 4.47Å; K1078-D1081 PolarHBondContact O-N 2.86Å; K1078-D1081 VanDerWaalsContact O-N 3.15Å; D1081-C1083 PolarHBondContact O-N 2.84Å; D1081-R1084 WeakPolarHBondContact O-CB 3.49Å; D1081-R1084 PolarHBondContact O-N 2.99Å; D1081-R1084 VanDerWaalsContact O-N 3.15Å; D1081-R1084 IonicContact OD1-CZ 3.59Å; D1081-R1084 IonicContact OD1-NH1 2.69Å; D1081-R1084 PolarHBondContact OD1-NH1 2.93Å; D1081-Y1085 WeakPolarHBondContact O-CD2 3.5Å; D1081-Y1085 PolarHBondContact O-N 3.44Å |
| 1082 | A | 89 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1070 L1073 K1078 A1079 A1080 R1084 Y1085 L1086 L1098 | V1070-A1082 HydrophobicContact CB-CB 4.44Å; V1070-A1082 HydrophobicContact CG1-CB 4.06Å; V1070-A1082 HydrophobicContact CG2-CB 4.36Å; L1073-A1082 HydrophobicContact CB-CB 3.78Å; L1073-A1082 HydrophobicContact CD1-CB 3.94Å; K1078-A1082 PolarHBondContact O-N 2.78Å; A1079-A1082 VanDerWaalsContact O-CB 3.31Å; A1079-A1082 WeakPolarHBondContact O-CB 3.48Å; A1079-A1082 PolarHBondContact O-N 2.95Å; A1079-A1082 VanDerWaalsContact O-N 3.17Å; A1080-A1082 VanDerWaalsContact C-N 3.33Å; A1082-R1084 VanDerWaalsContact C-N 3.34Å; A1082-R1084 PolarHBondContact O-N 2.75Å; A1082-Y1085 PolarHBondContact O-N 3.19Å; A1082-L1086 WeakPolarHBondContact O-CG 3.4Å; A1082-L1086 PolarHBondContact O-N 2.95Å; A1082-L1098 HydrophobicContact CB-CD2 4.22Å |
| 1083 | C | 91.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -39.9 | 173.1 | -72 | 0 | 0 | 0 | 0 | 112.3 | A1079 A1080 D1081 L1086 Q1087 V1111 | A1079-C1083 PolarHBondContact O-N 2.85Å; A1080-C1083 PolarHBondContact O-N 2.85Å; D1081-C1083 PolarHBondContact O-N 2.84Å; C1083-L1086 PolarHBondContact O-N 3Å; C1083-Q1087 VanDerWaalsContact O-CG 3.3Å; C1083-Q1087 WeakPolarHBondContact O-CG 3.24Å; C1083-Q1087 PolarHBondContact O-N 2.85Å; C1083-V1111 HydrophobicContact CB-CG1 3.94Å; C1083-V1111 HydrophobicContact CB-CG2 3.83Å |
| 1084 | R | 90.6 | Very high | 87.7 | Confident | 124 Ų | 124 | 50.6 Ų | 50.6 | 47% | 0.468 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 176.6 | -71.1 | 174.5 | -178.6 | 145.8 | -3.3 | 112.2 | A1080 D1081 A1082 Q1087 T1088 | A1080-R1084 WeakPolarHBondContact O-CG 3.28Å; A1080-R1084 PolarHBondContact O-N 3.39Å; D1081-R1084 WeakPolarHBondContact O-CB 3.49Å; D1081-R1084 PolarHBondContact O-N 2.99Å; D1081-R1084 VanDerWaalsContact O-N 3.15Å; D1081-R1084 IonicContact OD1-CZ 3.59Å; D1081-R1084 IonicContact OD1-NH1 2.69Å; D1081-R1084 PolarHBondContact OD1-NH1 2.93Å; A1082-R1084 VanDerWaalsContact C-N 3.34Å; A1082-R1084 PolarHBondContact O-N 2.75Å; R1084-Q1087 PolarHBondContact O-N 3.05Å; R1084-T1088 PolarHBondContact O-N 2.77Å; R1084-T1088 PolarHBondContact O-OG1 2.84Å |
| 1085 | Y | 91.6 | Very high | 88 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 31% | 0.31 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.4 | -47.8 | 174.2 | -74.2 | -65.7 | 0 | 0 | 0 | 110.8 | T1058 I1061 L1073 D1081 A1082 Q1087 T1088 Y1089 | T1058-Y1085 HydrophobicContact CG2-CE2 4.23Å; T1058-Y1085 WeakPolarHBondContact CG2-OH 3.33Å; I1061-Y1085 HydrophobicContact CD1-CD1 4.49Å; I1061-Y1085 HydrophobicContact CD1-CD2 3.82Å; I1061-Y1085 HydrophobicContact CD1-CE2 4.36Å; I1061-Y1085 HydrophobicContact CD1-CG 3.91Å; I1061-Y1085 HydrophobicContact CG2-CD1 4.05Å; I1061-Y1085 HydrophobicContact CG2-CG 4.32Å; L1073-Y1085 HydrophobicContact CD1-CD2 3.81Å; L1073-Y1085 HydrophobicContact CD1-CE2 4.1Å; D1081-Y1085 WeakPolarHBondContact O-CD2 3.5Å; D1081-Y1085 PolarHBondContact O-N 3.44Å; A1082-Y1085 PolarHBondContact O-N 3.19Å; Y1085-Q1087 VanDerWaalsContact C-N 3.3Å; Y1085-Q1087 PolarHBondContact O-N 2.77Å; Y1085-T1088 WeakPolarHBondContact O-CB 3.39Å; Y1085-T1088 PolarHBondContact O-N 3.35Å; Y1085-Y1089 VanDerWaalsContact O-CD2 3.31Å; Y1085-Y1089 WeakPolarHBondContact O-CD2 3.45Å; Y1085-Y1089 PolarHBondContact O-N 3.43Å |
| 1086 | L | 90.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -54.8 | -44.6 | 176.4 | -72 | 172.4 | 0 | 0 | 0 | 112.3 | L1066 V1070 A1082 C1083 T1088 Y1089 G1090 E1091 R1094 A1095 L1098 | L1066-L1086 HydrophobicContact CD1-CD2 4.44Å; L1066-L1086 HydrophobicContact CD2-CD2 3.79Å; L1066-L1086 HydrophobicContact CG-CD2 3.99Å; V1070-L1086 HydrophobicContact CG1-CD1 4.22Å; V1070-L1086 HydrophobicContact CG2-CD1 4.34Å; V1070-L1086 HydrophobicContact CG2-CD2 3.87Å; V1070-L1086 HydrophobicContact CG2-CG 3.85Å; A1082-L1086 WeakPolarHBondContact O-CG 3.4Å; A1082-L1086 PolarHBondContact O-N 2.95Å; C1083-L1086 PolarHBondContact O-N 3Å; L1086-T1088 PolarHBondContact O-N 3.28Å; L1086-Y1089 PolarHBondContact O-N 2.79Å; L1086-G1090 PolarHBondContact O-N 2.73Å; L1086-E1091 HydrophobicContact CB-CB 4.34Å; L1086-E1091 HydrophobicContact CD2-CB 4.04Å; L1086-E1091 PolarHBondContact O-N 3.22Å; L1086-R1094 HydrophobicContact CD1-CG 4.25Å; L1086-R1094 HydrophobicContact CD2-CG 4.43Å; L1086-A1095 HydrophobicContact CB-CB 3.77Å; L1086-A1095 HydrophobicContact CD1-CB 4.28Å; L1086-L1098 HydrophobicContact CD1-CD2 4.03Å |
| 1087 | Q | 91.6 | Very high | 88.6 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -40.6 | 176.1 | -70.6 | -179.2 | -32.2 | 0 | 0 | 112.5 | C1083 R1084 Y1085 Y1089 G1090 W1092 A1095 V1111 | C1083-Q1087 VanDerWaalsContact O-CG 3.3Å; C1083-Q1087 WeakPolarHBondContact O-CG 3.24Å; C1083-Q1087 PolarHBondContact O-N 2.85Å; R1084-Q1087 PolarHBondContact O-N 3.05Å; Y1085-Q1087 VanDerWaalsContact C-N 3.3Å; Y1085-Q1087 PolarHBondContact O-N 2.77Å; Q1087-Y1089 VanDerWaalsContact C-N 3.3Å; Q1087-Y1089 PolarHBondContact O-N 3.19Å; Q1087-G1090 PolarHBondContact O-N 3.17Å; Q1087-G1090 VanDerWaalsContact O-N 3.15Å; Q1087-W1092 HydrophobicContact CB-CD2 4.46Å; Q1087-W1092 HydrophobicContact CB-CE3 4.1Å; Q1087-W1092 HydrophobicContact CB-CH2 3.86Å; Q1087-W1092 HydrophobicContact CB-CZ2 4.22Å; Q1087-W1092 HydrophobicContact CB-CZ3 3.8Å; Q1087-W1092 VanDerWaalsContact CD-CZ3 3.49Å; Q1087-W1092 HydrophobicContact CG-CD2 4.28Å; Q1087-W1092 HydrophobicContact CG-CE3 3.59Å; Q1087-W1092 HydrophobicContact CG-CH2 4.09Å; Q1087-W1092 HydrophobicContact CG-CZ3 3.49Å; Q1087-W1092 VanDerWaalsContact CG-CZ3 3.49Å; Q1087-A1095 HydrophobicContact CG-CB 3.84Å; Q1087-V1111 PolarHBondContact NE2-O 3.04Å |
| 1088 | T | 90.2 | Very high | 88.9 | Confident | 115 Ų | 115 | 45.8 Ų | 45.8 | 71% | 0.706 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -65.2 | -34.2 | 179.7 | -53 | 0 | 0 | 0 | 0 | 112.1 | R1084 Y1085 L1086 G1090 | R1084-T1088 PolarHBondContact O-N 2.77Å; R1084-T1088 PolarHBondContact O-OG1 2.84Å; Y1085-T1088 WeakPolarHBondContact O-CB 3.39Å; Y1085-T1088 PolarHBondContact O-N 3.35Å; L1086-T1088 PolarHBondContact O-N 3.28Å; T1088-G1090 VanDerWaalsContact C-N 3.32Å |
| 1089 | Y | 88.4 | Confident | 89.1 | Confident | 118 Ų | 118 | 41.4 Ų | 41.4 | 46% | 0.463 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 6.3 | 176.9 | -76.5 | -89.8 | 0 | 0 | 0 | 113.7 | I1061 L1066 Y1085 L1086 Q1087 | I1061-Y1089 HydrophobicContact CG2-CD2 4.32Å; I1061-Y1089 HydrophobicContact CG2-CE2 3.5Å; I1061-Y1089 PolarHBondContact O-OH 3.42Å; L1066-Y1089 HydrophobicContact CD1-CD2 3.86Å; L1066-Y1089 HydrophobicContact CD1-CE2 4.32Å; L1066-Y1089 HydrophobicContact CD1-CG 4.26Å; L1066-Y1089 HydrophobicContact CD2-CG 4.36Å; Y1085-Y1089 VanDerWaalsContact O-CD2 3.31Å; Y1085-Y1089 WeakPolarHBondContact O-CD2 3.45Å; Y1085-Y1089 PolarHBondContact O-N 3.43Å; L1086-Y1089 PolarHBondContact O-N 2.79Å; Q1087-Y1089 VanDerWaalsContact C-N 3.3Å; Q1087-Y1089 PolarHBondContact O-N 3.19Å |
| 1090 | G | 85.1 | Confident | 89.1 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 49% | 0.485 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 5.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1086 Q1087 T1088 W1092 | L1086-G1090 PolarHBondContact O-N 2.73Å; Q1087-G1090 PolarHBondContact O-N 3.17Å; Q1087-G1090 VanDerWaalsContact O-N 3.15Å; T1088-G1090 VanDerWaalsContact C-N 3.32Å; G1090-W1092 VanDerWaalsContact C-N 3.26Å; G1090-W1092 VanDerWaalsContact O-CD1 3.28Å; G1090-W1092 PolarHBondContact O-N 3.07Å |
| 1091 | E | 86.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 40.9 Ų | 40.9 | 44% | 0.435 | 19% | 0.194 | S | C | . | . | trans | -86.7 | 57.1 | -179 | -70.7 | -69.1 | 173 | 0 | 0 | 111.9 | L1066 L1086 R1094 A1095 | L1066-E1091 HydrophobicContact CD2-CG 4.05Å; L1086-E1091 HydrophobicContact CB-CB 4.34Å; L1086-E1091 HydrophobicContact CD2-CB 4.04Å; L1086-E1091 PolarHBondContact O-N 3.22Å; E1091-R1094 HydrophobicContact CB-CB 4.33Å; E1091-R1094 PolarHBondContact O-N 3.09Å; E1091-A1095 PolarHBondContact O-N 3.05Å | ||
| 1092 | W | 89 | Confident | 89 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 19% | 0.189 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | -171.5 | -66.9 | 95.3 | 0 | 0 | 0 | 114.1 | Q1087 G1090 R1094 A1095 A1096 R1114 W1115 H1118 | Q1087-W1092 HydrophobicContact CB-CD2 4.46Å; Q1087-W1092 HydrophobicContact CB-CE3 4.1Å; Q1087-W1092 HydrophobicContact CB-CH2 3.86Å; Q1087-W1092 HydrophobicContact CB-CZ2 4.22Å; Q1087-W1092 HydrophobicContact CB-CZ3 3.8Å; Q1087-W1092 VanDerWaalsContact CD-CZ3 3.49Å; Q1087-W1092 HydrophobicContact CG-CD2 4.28Å; Q1087-W1092 HydrophobicContact CG-CE3 3.59Å; Q1087-W1092 HydrophobicContact CG-CH2 4.09Å; Q1087-W1092 HydrophobicContact CG-CZ3 3.49Å; Q1087-W1092 VanDerWaalsContact CG-CZ3 3.49Å; G1090-W1092 VanDerWaalsContact C-N 3.26Å; G1090-W1092 VanDerWaalsContact O-CD1 3.28Å; G1090-W1092 PolarHBondContact O-N 3.07Å; W1092-R1094 VanDerWaalsContact C-N 3.28Å; W1092-R1094 PolarHBondContact O-N 3.36Å; W1092-A1095 PolarHBondContact O-N 3.18Å; W1092-A1096 WeakPolarHBondContact O-CB 3.43Å; W1092-A1096 PolarHBondContact O-N 2.83Å; W1092-R1114 HydrophobicContact CZ3-CB 4.36Å; W1092-W1115 HydrophobicContact CE3-CB 4.1Å; W1092-W1115 AromaticContact CE3-CD1 3.86Å; W1092-W1115 HydrophobicContact CE3-CG 4.34Å; W1092-H1118 AromaticContact CD1-CD2 3.45Å; W1092-H1118 VanDerWaalsContact CD1-CD2 3.45Å; W1092-H1118 AromaticContact CD1-NE2 3.31Å; W1092-H1118 VanDerWaalsContact CD1-NE2 3.31Å; W1092-H1118 HydrophobicContact CD2-CB 4.13Å; W1092-H1118 AromaticContact CD2-CD2 3.61Å; W1092-H1118 AromaticContact CD2-CG 3.82Å; W1092-H1118 AromaticContact CE2-CD2 3.52Å; W1092-H1118 AromaticContact CE2-CE1 3.91Å; W1092-H1118 AromaticContact CE2-CG 3.46Å; W1092-H1118 VanDerWaalsContact CE2-CG 3.46Å; W1092-H1118 AromaticContact CE2-ND1 3.72Å; W1092-H1118 AromaticContact CE2-NE2 3.8Å; W1092-H1118 HydrophobicContact CE3-CB 4.08Å; W1092-H1118 AromaticContact CG-CD2 3.61Å; W1092-H1118 AromaticContact CG-NE2 3.96Å; W1092-H1118 HydrophobicContact CH2-CB 3.85Å; W1092-H1118 HydrophobicContact CZ2-CB 3.89Å; W1092-H1118 AromaticContact CZ2-CG 3.66Å; W1092-H1118 AromaticContact CZ2-ND1 3.75Å; W1092-H1118 HydrophobicContact CZ3-CB 3.93Å; W1092-H1118 AromaticContact NE1-CD2 3.4Å; W1092-H1118 PolarHBondContact NE1-CD2 2.84Å; W1092-H1118 AromaticContact NE1-CE1 3.43Å; W1092-H1118 PolarHBondContact NE1-CE1 2.86Å; W1092-H1118 AromaticContact NE1-CG 3.71Å; W1092-H1118 AromaticContact NE1-ND1 3.72Å; W1092-H1118 AromaticContact NE1-NE2 3.2Å; W1092-H1118 PolarHBondContact NE1-NE2 3.07Å |
| 1093 | N | 88 | Confident | 88.9 | Confident | 37 Ų | 37 | 44 Ų | 44 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 177.8 | -77.7 | -34.9 | 0 | 0 | 0 | 111.2 | D170 A1096 W1097 W1115 | D170-N1093 PolarHBondContact OD2-ND2 3.47Å; N1093-A1096 PolarHBondContact O-N 2.91Å; N1093-W1097 PolarHBondContact O-N 3Å; N1093-W1115 WeakPolarHBondContact OD1-CZ2 3.43Å |
| 1094 | R | 87.3 | Confident | 88.6 | Confident | 95 Ų | 95 | 46.4 Ų | 46.4 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71.1 | -37.6 | 177.7 | -168.4 | 174.8 | 179.7 | 173.9 | 1.4 | 112.2 | L1086 E1091 W1092 W1097 L1098 | L1086-R1094 HydrophobicContact CD1-CG 4.25Å; L1086-R1094 HydrophobicContact CD2-CG 4.43Å; E1091-R1094 HydrophobicContact CB-CB 4.33Å; E1091-R1094 PolarHBondContact O-N 3.09Å; W1092-R1094 VanDerWaalsContact C-N 3.28Å; W1092-R1094 PolarHBondContact O-N 3.36Å; R1094-W1097 PolarHBondContact O-N 3.47Å; R1094-L1098 WeakPolarHBondContact O-CB 3.43Å; R1094-L1098 PolarHBondContact O-N 3.25Å |
| 1095 | A | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.9 | -42.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1086 Q1087 E1091 W1092 L1098 A1099 | L1086-A1095 HydrophobicContact CB-CB 3.77Å; L1086-A1095 HydrophobicContact CD1-CB 4.28Å; Q1087-A1095 HydrophobicContact CG-CB 3.84Å; E1091-A1095 PolarHBondContact O-N 3.05Å; W1092-A1095 PolarHBondContact O-N 3.18Å; A1095-L1098 PolarHBondContact O-N 3.07Å; A1095-A1099 VanDerWaalsContact O-CB 3.32Å; A1095-A1099 WeakPolarHBondContact O-CB 3.42Å; A1095-A1099 PolarHBondContact O-N 2.87Å |
| 1096 | A | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.5 | -43.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I972 W1092 N1093 A1099 K1100 L1112 W1115 | I972-A1096 HydrophobicContact CD1-CB 4.26Å; I972-A1096 HydrophobicContact CG2-CB 4.38Å; W1092-A1096 WeakPolarHBondContact O-CB 3.43Å; W1092-A1096 PolarHBondContact O-N 2.83Å; N1093-A1096 PolarHBondContact O-N 2.91Å; A1096-A1099 PolarHBondContact O-N 3.24Å; A1096-K1100 PolarHBondContact O-N 3.3Å; A1096-K1100 VanDerWaalsContact O-N 3.1Å; A1096-L1112 HydrophobicContact CB-CD2 3.67Å; A1096-W1115 HydrophobicContact CB-CD2 4.05Å; A1096-W1115 HydrophobicContact CB-CE3 3.71Å; A1096-W1115 HydrophobicContact CB-CH2 4.28Å; A1096-W1115 HydrophobicContact CB-CZ3 3.83Å |
| 1097 | W | 90.7 | Very high | 87.7 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 13% | 0.129 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 173.9 | -179.7 | 94.3 | 0 | 0 | 0 | 111.6 | F979 Q983 L1009 N1093 R1094 A1099 K1100 V1101 | F979-W1097 AromaticContact CE1-CD1 3.72Å; F979-W1097 HydrophobicContact CE1-CG 4.44Å; F979-W1097 AromaticContact CE1-NE1 3.93Å; F979-W1097 AromaticContact CZ-CD1 3.63Å; F979-W1097 AromaticContact CZ-NE1 3.97Å; Q983-W1097 VanDerWaalsContact OE1-NE1 3.08Å; L1009-W1097 HydrophobicContact CB-CH2 4.17Å; L1009-W1097 HydrophobicContact CB-CZ3 4.08Å; L1009-W1097 HydrophobicContact CD1-CZ3 4.14Å; N1093-W1097 PolarHBondContact O-N 3Å; R1094-W1097 PolarHBondContact O-N 3.47Å; W1097-A1099 VanDerWaalsContact C-N 3.3Å; W1097-A1099 PolarHBondContact O-N 2.92Å; W1097-K1100 PolarHBondContact O-N 2.72Å; W1097-V1101 HydrophobicContact CD2-CG2 4.17Å; W1097-V1101 HydrophobicContact CE3-CG2 4.49Å; W1097-V1101 HydrophobicContact CH2-CG1 4.41Å; W1097-V1101 HydrophobicContact CH2-CG2 4.32Å; W1097-V1101 HydrophobicContact CZ2-CG2 4Å; W1097-V1101 WeakPolarHBondContact O-CG2 3.25Å; W1097-V1101 PolarHBondContact O-N 3.34Å; W1097-V1101 VanDerWaalsContact O-N 3.11Å |
| 1098 | L | 89 | Confident | 87.4 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -38.9 | -180 | -177.7 | 62.7 | 0 | 0 | 0 | 111.9 | L1009 V1070 A1082 L1086 R1094 A1095 K1100 V1101 R1102 | L1009-L1098 HydrophobicContact CD2-CD1 4.15Å; V1070-L1098 HydrophobicContact CG1-CD2 3.91Å; A1082-L1098 HydrophobicContact CB-CD2 4.22Å; L1086-L1098 HydrophobicContact CD1-CD2 4.03Å; R1094-L1098 WeakPolarHBondContact O-CB 3.43Å; R1094-L1098 PolarHBondContact O-N 3.25Å; A1095-L1098 PolarHBondContact O-N 3.07Å; L1098-K1100 VanDerWaalsContact C-N 3.34Å; L1098-K1100 PolarHBondContact O-N 3.11Å; L1098-V1101 PolarHBondContact O-N 3.37Å; L1098-R1102 HydrophobicContact CD1-CB 4.14Å; L1098-R1102 PolarHBondContact O-N 2.83Å |
| 1099 | A | 89.1 | Confident | 87.3 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.1 | -40.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1095 A1096 W1097 L1103 V1111 | A1095-A1099 VanDerWaalsContact O-CB 3.32Å; A1095-A1099 WeakPolarHBondContact O-CB 3.42Å; A1095-A1099 PolarHBondContact O-N 2.87Å; A1096-A1099 PolarHBondContact O-N 3.24Å; W1097-A1099 VanDerWaalsContact C-N 3.3Å; W1097-A1099 PolarHBondContact O-N 2.92Å; A1099-L1103 HydrophobicContact CB-CD1 3.86Å; A1099-L1103 WeakPolarHBondContact O-CB 3.38Å; A1099-L1103 PolarHBondContact O-N 3.08Å; A1099-V1111 HydrophobicContact CB-CB 3.99Å; A1099-V1111 HydrophobicContact CB-CG1 3.9Å; A1099-V1111 HydrophobicContact CB-CG2 4.49Å |
| 1100 | K | 87.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.7 | -32 | 177.2 | -77.9 | -73.9 | -174.4 | 155.1 | 0 | 113.3 | I972 C974 S976 F979 A1096 W1097 L1098 L1112 | I972-K1100 HydrophobicContact CG2-CG 4.22Å; I972-K1100 WeakPolarHBondContact O-CE 3.42Å; I972-K1100 PolarHBondContact O-NZ 3.29Å; C974-K1100 PolarHBondContact O-NZ 2.98Å; S976-K1100 WeakPolarHBondContact CB-O 3.24Å; S976-K1100 WeakPolarHBondContact OG-CD 3.44Å; F979-K1100 HydrophobicContact CD1-CB 3.86Å; F979-K1100 HydrophobicContact CE1-CB 4.18Å; A1096-K1100 PolarHBondContact O-N 3.3Å; A1096-K1100 VanDerWaalsContact O-N 3.1Å; W1097-K1100 PolarHBondContact O-N 2.72Å; L1098-K1100 VanDerWaalsContact C-N 3.34Å; L1098-K1100 PolarHBondContact O-N 3.11Å; K1100-L1112 HydrophobicContact CD-CD1 4.25Å; K1100-L1112 HydrophobicContact CG-CD1 4.37Å |
| 1101 | V | 87.3 | Confident | 87.6 | Confident | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -85.6 | -40.7 | -173.7 | 164.9 | 0 | 0 | 0 | 0 | 113.3 | F979 Q980 Q983 L1010 W1097 L1098 | F979-V1101 HydrophobicContact CD1-CG2 4.04Å; F979-V1101 HydrophobicContact CE1-CG2 3.89Å; Q980-V1101 HydrophobicContact CG-CG1 4.47Å; Q980-V1101 PolarHBondContact NE2-O 3.32Å; Q983-V1101 HydrophobicContact CG-CG2 4.28Å; L1010-V1101 HydrophobicContact CB-CG1 4.37Å; L1010-V1101 HydrophobicContact CD2-CB 4.38Å; L1010-V1101 HydrophobicContact CD2-CG1 3.33Å; L1010-V1101 HydrophobicContact CD2-CG2 4.14Å; L1010-V1101 HydrophobicContact CG-CG1 4.06Å; W1097-V1101 HydrophobicContact CD2-CG2 4.17Å; W1097-V1101 HydrophobicContact CE3-CG2 4.49Å; W1097-V1101 HydrophobicContact CH2-CG1 4.41Å; W1097-V1101 HydrophobicContact CH2-CG2 4.32Å; W1097-V1101 HydrophobicContact CZ2-CG2 4Å; W1097-V1101 WeakPolarHBondContact O-CG2 3.25Å; W1097-V1101 PolarHBondContact O-N 3.34Å; W1097-V1101 VanDerWaalsContact O-N 3.11Å; L1098-V1101 PolarHBondContact O-N 3.37Å |
| 1102 | R | 85.6 | Confident | 87.8 | Confident | 79 Ų | 79 | 36.4 Ų | 36.4 | 30% | 0.298 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -117.6 | -28.4 | -166.7 | -171.4 | 64.7 | -179.6 | 170.7 | 3.1 | 114.4 | D1077 A1079 L1098 | D1077-R1102 IonicContact OD1-CZ 2.68Å; D1077-R1102 IonicContact OD1-NH2 2.74Å; D1077-R1102 PolarHBondContact OD1-NH2 3.33Å; A1079-R1102 HydrophobicContact CB-CG 3.93Å; L1098-R1102 HydrophobicContact CD1-CB 4.14Å; L1098-R1102 PolarHBondContact O-N 2.83Å |
| 1103 | L | 86.4 | Confident | 87.9 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.089 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -81.5 | 154.5 | -175.4 | -65.1 | 179.2 | 0 | 0 | 0 | 112.3 | A1079 A1080 A1099 E1107 V1111 | A1079-L1103 HydrophobicContact CB-CD2 3.64Å; A1079-L1103 HydrophobicContact CB-CG 4.48Å; A1080-L1103 HydrophobicContact CB-CD2 4.05Å; A1099-L1103 HydrophobicContact CB-CD1 3.86Å; A1099-L1103 WeakPolarHBondContact O-CB 3.38Å; A1099-L1103 PolarHBondContact O-N 3.08Å; L1103-E1107 HydrophobicContact CB-CB 4.25Å; L1103-E1107 HydrophobicContact CD1-CB 4.33Å; L1103-E1107 HydrophobicContact CD2-CB 4.4Å; L1103-V1111 HydrophobicContact CD1-CG2 3.84Å |
| 1104 | S | 85.8 | Confident | 88.1 | Confident | 50 Ų | 50 | 38.5 Ų | 38.5 | 35% | 0.35 | 20% | 0.201 | S | C | . | . | trans | -60.1 | 151.8 | 165.4 | 65.4 | 0 | 0 | 0 | 0 | 110.4 | A1106 E1107 G1108 | S1104-A1106 PolarHBondContact O-N 2.93Å; S1104-A1106 VanDerWaalsContact O-N 3.09Å; S1104-E1107 PolarHBondContact O-N 3.38Å; S1104-E1107 WeakPolarHBondContact OG-CG 3.5Å; S1104-E1107 PolarHBondContact OG-N 3.12Å; S1104-E1107 PolarHBondContact OG-OE2 2.76Å; S1104-G1108 PolarHBondContact O-N 2.92Å | ||
| 1105 | P | 82.4 | Confident | 88.3 | Confident | 108 Ų | 108 | 34.2 Ų | 34.2 | 70% | 0.701 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -54 | -33.5 | -180 | -28 | 35.1 | 0 | 0 | 0 | 114 | S1109 | P1105-S1109 VanDerWaalsContact O-CB 3.31Å; P1105-S1109 WeakPolarHBondContact O-CB 3.35Å; P1105-S1109 PolarHBondContact O-N 2.97Å |
| 1106 | A | 84.1 | Confident | 88.3 | Confident | 71 Ų | 71 | 34.4 Ų | 34.4 | 59% | 0.587 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -69.3 | -53.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1104 G1108 S1109 D1110 | S1104-A1106 PolarHBondContact O-N 2.93Å; S1104-A1106 VanDerWaalsContact O-N 3.09Å; A1106-G1108 VanDerWaalsContact C-N 3.34Å; A1106-G1108 PolarHBondContact O-N 2.98Å; A1106-S1109 WeakPolarHBondContact O-CB 3.05Å; A1106-S1109 PolarHBondContact O-N 3.46Å; A1106-D1110 PolarHBondContact O-N 2.96Å |
| 1107 | E | 85.9 | Confident | 88.3 | Confident | 94 Ų | 94 | 40 Ų | 40 | 44% | 0.439 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.4 | -37.3 | 179.3 | -66.5 | 172.4 | 140.9 | 0 | 0 | 111.9 | L1103 S1104 S1109 D1110 V1111 | L1103-E1107 HydrophobicContact CB-CB 4.25Å; L1103-E1107 HydrophobicContact CD1-CB 4.33Å; L1103-E1107 HydrophobicContact CD2-CB 4.4Å; S1104-E1107 PolarHBondContact O-N 3.38Å; S1104-E1107 WeakPolarHBondContact OG-CG 3.5Å; S1104-E1107 PolarHBondContact OG-N 3.12Å; S1104-E1107 PolarHBondContact OG-OE2 2.76Å; E1107-S1109 VanDerWaalsContact C-N 3.33Å; E1107-D1110 PolarHBondContact O-N 2.77Å; E1107-V1111 PolarHBondContact O-N 3.13Å |
| 1108 | G | 86.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 41 Ų | 41 | 5% | 0.052 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1104 A1106 D1110 V1111 L1112 | S1104-G1108 PolarHBondContact O-N 2.92Å; A1106-G1108 VanDerWaalsContact C-N 3.34Å; A1106-G1108 PolarHBondContact O-N 2.98Å; G1108-D1110 VanDerWaalsContact C-N 3.31Å; G1108-D1110 PolarHBondContact O-N 3.21Å; G1108-V1111 PolarHBondContact O-N 3.12Å; G1108-L1112 WeakPolarHBondContact O-CG 3.36Å; G1108-L1112 PolarHBondContact O-N 3.38Å |
| 1109 | S | 87.8 | Confident | 88 | Confident | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.9 | -42.7 | 175 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | P1105 A1106 E1107 V1111 L1112 K1113 | P1105-S1109 VanDerWaalsContact O-CB 3.31Å; P1105-S1109 WeakPolarHBondContact O-CB 3.35Å; P1105-S1109 PolarHBondContact O-N 2.97Å; A1106-S1109 WeakPolarHBondContact O-CB 3.05Å; A1106-S1109 PolarHBondContact O-N 3.46Å; E1107-S1109 VanDerWaalsContact C-N 3.33Å; S1109-V1111 PolarHBondContact O-N 3.25Å; S1109-L1112 PolarHBondContact O-N 2.87Å; S1109-K1113 VanDerWaalsContact O-CG 3.29Å; S1109-K1113 WeakPolarHBondContact O-CG 3.2Å; S1109-K1113 PolarHBondContact O-N 2.85Å; S1109-K1113 WeakPolarHBondContact OG-CE 3.35Å; S1109-K1113 PolarHBondContact OG-NZ 2.83Å |
| 1110 | D | 89.3 | Confident | 87.8 | Confident | 79 Ų | 79 | 42.7 Ų | 42.7 | 42% | 0.422 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68 | -36.6 | -179.6 | -70.9 | -16.6 | 0 | 0 | 0 | 113.1 | A1106 E1107 G1108 K1113 R1114 | A1106-D1110 PolarHBondContact O-N 2.96Å; E1107-D1110 PolarHBondContact O-N 2.77Å; G1108-D1110 VanDerWaalsContact C-N 3.31Å; G1108-D1110 PolarHBondContact O-N 3.21Å; D1110-K1113 IonicContact OD1-NZ 3.26Å; D1110-R1114 PolarHBondContact O-N 3.16Å |
| 1111 | V | 91.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.018 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | C1083 Q1087 A1099 L1103 E1107 G1108 S1109 R1114 W1115 | C1083-V1111 HydrophobicContact CB-CG1 3.94Å; C1083-V1111 HydrophobicContact CB-CG2 3.83Å; Q1087-V1111 PolarHBondContact NE2-O 3.04Å; A1099-V1111 HydrophobicContact CB-CB 3.99Å; A1099-V1111 HydrophobicContact CB-CG1 3.9Å; A1099-V1111 HydrophobicContact CB-CG2 4.49Å; L1103-V1111 HydrophobicContact CD1-CG2 3.84Å; E1107-V1111 PolarHBondContact O-N 3.13Å; G1108-V1111 PolarHBondContact O-N 3.12Å; S1109-V1111 PolarHBondContact O-N 3.25Å; V1111-R1114 PolarHBondContact O-N 3.38Å; V1111-W1115 PolarHBondContact O-N 3.05Å; V1111-W1115 VanDerWaalsContact O-N 3.08Å |
| 1112 | L | 90.4 | Very high | 87.2 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.7 | -32.2 | -179.4 | -67.4 | 170.9 | 0 | 0 | 0 | 112.7 | I972 A1096 K1100 G1108 S1109 W1115 A1116 V1133 L1137 | I972-L1112 HydrophobicContact CG2-CD2 4.37Å; A1096-L1112 HydrophobicContact CB-CD2 3.67Å; K1100-L1112 HydrophobicContact CD-CD1 4.25Å; K1100-L1112 HydrophobicContact CG-CD1 4.37Å; G1108-L1112 WeakPolarHBondContact O-CG 3.36Å; G1108-L1112 PolarHBondContact O-N 3.38Å; S1109-L1112 PolarHBondContact O-N 2.87Å; L1112-W1115 HydrophobicContact CD2-CE3 3.74Å; L1112-W1115 HydrophobicContact CD2-CZ3 4.19Å; L1112-W1115 WeakPolarHBondContact O-CB 3.42Å; L1112-W1115 PolarHBondContact O-N 3.31Å; L1112-A1116 PolarHBondContact O-N 2.89Å; L1112-V1133 HydrophobicContact CB-CG1 4.19Å; L1112-L1137 HydrophobicContact CB-CD1 3.79Å; L1112-L1137 HydrophobicContact CB-CD2 4.1Å; L1112-L1137 HydrophobicContact CB-CG 4.41Å; L1112-L1137 HydrophobicContact CD1-CD2 3.82Å |
| 1113 | K | 91.3 | Very high | 86.7 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 170.8 | -76.4 | 167.7 | -170.4 | 161.1 | 0 | 111.9 | S1109 D1110 W1115 A1116 E1117 L1137 | S1109-K1113 VanDerWaalsContact O-CG 3.29Å; S1109-K1113 WeakPolarHBondContact O-CG 3.2Å; S1109-K1113 PolarHBondContact O-N 2.85Å; S1109-K1113 WeakPolarHBondContact OG-CE 3.35Å; S1109-K1113 PolarHBondContact OG-NZ 2.83Å; D1110-K1113 IonicContact OD1-NZ 3.26Å; K1113-W1115 VanDerWaalsContact C-N 3.25Å; K1113-W1115 PolarHBondContact O-N 2.91Å; K1113-A1116 WeakPolarHBondContact O-CB 3.29Å; K1113-A1116 PolarHBondContact O-N 2.93Å; K1113-E1117 WeakPolarHBondContact O-CG 3.19Å; K1113-E1117 PolarHBondContact O-N 3.49Å; K1113-L1137 HydrophobicContact CG-CD1 3.88Å |
| 1114 | R | 91.7 | Very high | 86.2 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -36.2 | 174.7 | -69.3 | -175.7 | -130.4 | 120.7 | 7.7 | 112 | W1092 D1110 V1111 E1117 H1118 | W1092-R1114 HydrophobicContact CZ3-CB 4.36Å; D1110-R1114 PolarHBondContact O-N 3.16Å; V1111-R1114 PolarHBondContact O-N 3.38Å; R1114-E1117 PolarHBondContact O-N 2.88Å; R1114-H1118 PolarHBondContact O-N 2.53Å |
| 1115 | W | 91.6 | Very high | 85.8 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | 174.5 | -177.9 | 38.9 | 0 | 0 | 0 | 111.9 | I972 W1092 N1093 A1096 V1111 L1112 K1113 E1117 H1118 L1119 V1133 | I972-W1115 HydrophobicContact CD1-CH2 3.98Å; I972-W1115 HydrophobicContact CD1-CZ3 4.44Å; I972-W1115 HydrophobicContact CG2-CH2 4.41Å; I972-W1115 HydrophobicContact CG2-CZ3 3.9Å; W1092-W1115 HydrophobicContact CE3-CB 4.1Å; W1092-W1115 AromaticContact CE3-CD1 3.86Å; W1092-W1115 HydrophobicContact CE3-CG 4.34Å; N1093-W1115 WeakPolarHBondContact OD1-CZ2 3.43Å; A1096-W1115 HydrophobicContact CB-CD2 4.05Å; A1096-W1115 HydrophobicContact CB-CE3 3.71Å; A1096-W1115 HydrophobicContact CB-CH2 4.28Å; A1096-W1115 HydrophobicContact CB-CZ3 3.83Å; V1111-W1115 PolarHBondContact O-N 3.05Å; V1111-W1115 VanDerWaalsContact O-N 3.08Å; L1112-W1115 HydrophobicContact CD2-CE3 3.74Å; L1112-W1115 HydrophobicContact CD2-CZ3 4.19Å; L1112-W1115 WeakPolarHBondContact O-CB 3.42Å; L1112-W1115 PolarHBondContact O-N 3.31Å; K1113-W1115 VanDerWaalsContact C-N 3.25Å; K1113-W1115 PolarHBondContact O-N 2.91Å; W1115-E1117 VanDerWaalsContact C-N 3.31Å; W1115-E1117 PolarHBondContact O-N 2.91Å; W1115-H1118 WeakPolarHBondContact O-CB 3.49Å; W1115-H1118 PolarHBondContact O-N 3.24Å; W1115-H1118 VanDerWaalsContact O-N 3.13Å; W1115-L1119 HydrophobicContact CD2-CD1 4.12Å; W1115-L1119 HydrophobicContact CG-CD1 4.47Å; W1115-L1119 HydrophobicContact CZ2-CD1 4.14Å; W1115-L1119 WeakPolarHBondContact O-CG 3.33Å; W1115-L1119 PolarHBondContact O-N 3.47Å; W1115-V1133 HydrophobicContact CE3-CG1 4.2Å; W1115-V1133 HydrophobicContact CE3-CG2 3.95Å; W1115-V1133 HydrophobicContact CH2-CG2 4.25Å; W1115-V1133 HydrophobicContact CZ3-CG1 4.46Å; W1115-V1133 HydrophobicContact CZ3-CG2 3.56Å |
| 1116 | A | 90.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L1112 K1113 H1118 L1119 C1120 A1130 V1133 L1134 | L1112-A1116 PolarHBondContact O-N 2.89Å; K1113-A1116 WeakPolarHBondContact O-CB 3.29Å; K1113-A1116 PolarHBondContact O-N 2.93Å; A1116-H1118 PolarHBondContact O-N 2.93Å; A1116-L1119 PolarHBondContact O-N 3.34Å; A1116-C1120 PolarHBondContact O-N 2.76Å; A1116-C1120 PolarHBondContact O-SG 2.83Å; A1116-C1120 VanDerWaalsContact O-SG 3.38Å; A1116-A1130 HydrophobicContact CB-CB 4.35Å; A1116-V1133 HydrophobicContact CB-CG1 4.38Å; A1116-L1134 HydrophobicContact CB-CD2 4.02Å; A1116-L1134 HydrophobicContact CB-CG 4.01Å |
| 1117 | E | 89.6 | Confident | 85.7 | Confident | 120 Ų | 120 | 47.9 Ų | 47.9 | 56% | 0.561 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.9 | -41.1 | 173.6 | -70.9 | 167.6 | -173.9 | 0 | 0 | 112.2 | K1113 R1114 W1115 C1120 S1121 | K1113-E1117 WeakPolarHBondContact O-CG 3.19Å; K1113-E1117 PolarHBondContact O-N 3.49Å; R1114-E1117 PolarHBondContact O-N 2.88Å; W1115-E1117 VanDerWaalsContact C-N 3.31Å; W1115-E1117 PolarHBondContact O-N 2.91Å; E1117-C1120 PolarHBondContact O-N 2.83Å; E1117-S1121 PolarHBondContact O-N 2.82Å |
| 1118 | H | 89.3 | Confident | 85.6 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 25% | 0.245 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 174.6 | 177.6 | 67.1 | 0 | 0 | 0 | 112.5 | W1092 R1114 W1115 A1116 C1120 S1121 | W1092-H1118 AromaticContact CD1-CD2 3.45Å; W1092-H1118 VanDerWaalsContact CD1-CD2 3.45Å; W1092-H1118 AromaticContact CD1-NE2 3.31Å; W1092-H1118 VanDerWaalsContact CD1-NE2 3.31Å; W1092-H1118 HydrophobicContact CD2-CB 4.13Å; W1092-H1118 AromaticContact CD2-CD2 3.61Å; W1092-H1118 AromaticContact CD2-CG 3.82Å; W1092-H1118 AromaticContact CE2-CD2 3.52Å; W1092-H1118 AromaticContact CE2-CE1 3.91Å; W1092-H1118 AromaticContact CE2-CG 3.46Å; W1092-H1118 VanDerWaalsContact CE2-CG 3.46Å; W1092-H1118 AromaticContact CE2-ND1 3.72Å; W1092-H1118 AromaticContact CE2-NE2 3.8Å; W1092-H1118 HydrophobicContact CE3-CB 4.08Å; W1092-H1118 AromaticContact CG-CD2 3.61Å; W1092-H1118 AromaticContact CG-NE2 3.96Å; W1092-H1118 HydrophobicContact CH2-CB 3.85Å; W1092-H1118 HydrophobicContact CZ2-CB 3.89Å; W1092-H1118 AromaticContact CZ2-CG 3.66Å; W1092-H1118 AromaticContact CZ2-ND1 3.75Å; W1092-H1118 HydrophobicContact CZ3-CB 3.93Å; W1092-H1118 AromaticContact NE1-CD2 3.4Å; W1092-H1118 PolarHBondContact NE1-CD2 2.84Å; W1092-H1118 AromaticContact NE1-CE1 3.43Å; W1092-H1118 PolarHBondContact NE1-CE1 2.86Å; W1092-H1118 AromaticContact NE1-CG 3.71Å; W1092-H1118 AromaticContact NE1-ND1 3.72Å; W1092-H1118 AromaticContact NE1-NE2 3.2Å; W1092-H1118 PolarHBondContact NE1-NE2 3.07Å; R1114-H1118 PolarHBondContact O-N 2.53Å; W1115-H1118 WeakPolarHBondContact O-CB 3.49Å; W1115-H1118 PolarHBondContact O-N 3.24Å; W1115-H1118 VanDerWaalsContact O-N 3.13Å; A1116-H1118 PolarHBondContact O-N 2.93Å; H1118-C1120 VanDerWaalsContact C-N 3.26Å; H1118-C1120 PolarHBondContact O-N 3.21Å; H1118-S1121 WeakPolarHBondContact O-CB 3.38Å; H1118-S1121 PolarHBondContact O-N 3.33Å; H1118-S1121 PolarHBondContact O-OG 3.25Å |
| 1119 | L | 85.2 | Confident | 85.5 | Confident | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62 | -35.5 | 176 | -68.9 | 174.3 | 0 | 0 | 0 | 111.8 | W1115 A1116 S1121 V1124 N1125 Q1126 K1129 A1130 | W1115-L1119 HydrophobicContact CD2-CD1 4.12Å; W1115-L1119 HydrophobicContact CG-CD1 4.47Å; W1115-L1119 HydrophobicContact CZ2-CD1 4.14Å; W1115-L1119 WeakPolarHBondContact O-CG 3.33Å; W1115-L1119 PolarHBondContact O-N 3.47Å; A1116-L1119 PolarHBondContact O-N 3.34Å; L1119-S1121 PolarHBondContact O-N 3.25Å; L1119-V1124 HydrophobicContact CD2-CG1 4.12Å; L1119-N1125 PolarHBondContact O-N 3.35Å; L1119-Q1126 HydrophobicContact CB-CB 4.43Å; L1119-Q1126 HydrophobicContact CD2-CB 4.07Å; L1119-Q1126 PolarHBondContact O-N 3.2Å; L1119-K1129 HydrophobicContact CD1-CB 4.34Å; L1119-K1129 HydrophobicContact CD1-CD 4.42Å; L1119-K1129 HydrophobicContact CD1-CG 4.1Å; L1119-A1130 HydrophobicContact CB-CB 3.88Å; L1119-A1130 HydrophobicContact CD1-CB 4.33Å |
| 1120 | C | 84.8 | Confident | 85.6 | Confident | 37 Ų | 37 | 47 Ų | 47 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -9.6 | 174.5 | -71.5 | 0 | 0 | 0 | 0 | 114 | A1116 E1117 H1118 A1130 | A1116-C1120 PolarHBondContact O-N 2.76Å; A1116-C1120 PolarHBondContact O-SG 2.83Å; A1116-C1120 VanDerWaalsContact O-SG 3.38Å; E1117-C1120 PolarHBondContact O-N 2.83Å; H1118-C1120 VanDerWaalsContact C-N 3.26Å; H1118-C1120 PolarHBondContact O-N 3.21Å; C1120-A1130 WeakPolarHBondContact SG-CB 3.42Å |
| 1121 | S | 84.8 | Confident | 85.6 | Confident | 26 Ų | 26 | 43.4 Ų | 43.4 | 18% | 0.182 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -62.9 | 149 | -179.8 | 74.6 | 0 | 0 | 0 | 0 | 111.4 | E1117 H1118 L1119 Q1123 V1124 N1125 | E1117-S1121 PolarHBondContact O-N 2.82Å; H1118-S1121 WeakPolarHBondContact O-CB 3.38Å; H1118-S1121 PolarHBondContact O-N 3.33Å; H1118-S1121 PolarHBondContact O-OG 3.25Å; L1119-S1121 PolarHBondContact O-N 3.25Å; S1121-Q1123 PolarHBondContact O-N 2.85Å; S1121-V1124 PolarHBondContact O-N 3.19Å; S1121-N1125 PolarHBondContact O-N 2.93Å |
| 1122 | P | 77.4 | Confident | 85.5 | Confident | 122 Ų | 122 | 44.7 Ų | 44.7 | 79% | 0.792 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -23.4 | -176.5 | -19.9 | 29.6 | 0 | 0 | 0 | 114.1 | ||
| 1123 | Q | 74.7 | Confident | 85.6 | Confident | 171 Ų | 171 | 44.6 Ų | 44.6 | 80% | 0.799 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -33.3 | -177.7 | -64.7 | 178.5 | -4.2 | 0 | 0 | 112.6 | S1121 | S1121-Q1123 PolarHBondContact O-N 2.85Š|
| 1124 | V | 76.1 | Confident | 85.5 | Confident | 35 Ų | 35 | 42.4 Ų | 42.4 | 21% | 0.212 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -42.2 | -177.4 | -178.8 | 0 | 0 | 0 | 0 | 110.8 | L1119 S1121 Q1126 | L1119-V1124 HydrophobicContact CD2-CG1 4.12Å; S1121-V1124 PolarHBondContact O-N 3.19Å; V1124-Q1126 VanDerWaalsContact C-N 3.27Å; V1124-Q1126 HydrophobicContact CG1-CB 4.2Å; V1124-Q1126 HydrophobicContact CG1-CG 3.95Å; V1124-Q1126 PolarHBondContact O-N 3.47Å |
| 1125 | N | 78.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 38.8 Ų | 38.8 | 17% | 0.166 | 21% | 0.207 | C | C | . | . | trans | 46.5 | 44.8 | 174.6 | -167 | 41 | 0 | 0 | 0 | 113.4 | D126 L1119 S1121 K1127 | D126-N1125 VanDerWaalsContact C-ND2 3.29Å; D126-N1125 WeakPolarHBondContact CB-O 3.36Å; D126-N1125 PolarHBondContact O-ND2 3.11Å; L1119-N1125 PolarHBondContact O-N 3.35Å; S1121-N1125 PolarHBondContact O-N 2.93Å; N1125-K1127 WeakPolarHBondContact OD1-CE 3.47Å | ||
| 1126 | Q | 80.4 | Confident | 85.4 | Confident | 26 Ų | 26 | 39 Ų | 39 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | trans | -104 | 59.6 | 175.2 | -71.9 | -177.5 | 2.5 | 0 | 0 | 109.9 | N124 D126 L1119 V1124 S1128 K1129 A1130 | N124-Q1126 PolarHBondContact ND2-NE2 3.07Å; D126-Q1126 WeakPolarHBondContact OD2-CA 3.39Å; L1119-Q1126 HydrophobicContact CB-CB 4.43Å; L1119-Q1126 HydrophobicContact CD2-CB 4.07Å; L1119-Q1126 PolarHBondContact O-N 3.2Å; V1124-Q1126 VanDerWaalsContact C-N 3.27Å; V1124-Q1126 HydrophobicContact CG1-CB 4.2Å; V1124-Q1126 HydrophobicContact CG1-CG 3.95Å; V1124-Q1126 PolarHBondContact O-N 3.47Å; Q1126-S1128 VanDerWaalsContact C-N 3.32Å; Q1126-S1128 PolarHBondContact O-N 3.29Å; Q1126-K1129 HydrophobicContact CB-CB 4.32Å; Q1126-K1129 PolarHBondContact O-N 3.38Å; Q1126-A1130 PolarHBondContact O-N 2.8Å; Q1126-A1130 VanDerWaalsContact O-N 3.12Å | ||
| 1127 | K | 83.3 | Confident | 85.3 | Confident | 38 Ų | 38 | 40.2 Ų | 40.2 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.8 | -35.9 | -172.5 | -67.9 | 178.1 | -176.9 | 172.4 | 0 | 112 | D126 N1125 K1129 A1130 I1131 G1151 M1153 | D126-K1127 PolarHBondContact OD2-N 3.46Å; N1125-K1127 WeakPolarHBondContact OD1-CE 3.47Å; K1127-K1129 PolarHBondContact O-N 2.8Å; K1127-A1130 WeakPolarHBondContact O-CB 3.32Å; K1127-A1130 PolarHBondContact O-N 2.95Å; K1127-I1131 WeakPolarHBondContact O-CG1 2.99Å; K1127-I1131 PolarHBondContact O-N 2.86Å; K1127-G1151 PolarHBondContact NZ-O 2.58Å; K1127-M1153 HydrophobicContact CB-CE 3.28Å; K1127-M1153 HydrophobicContact CB-SD 3.85Å; K1127-M1153 HydrophobicContact CD-CE 3.84Å; K1127-M1153 HydrophobicContact CD-CG 4.2Å; K1127-M1153 HydrophobicContact CD-SD 3.75Å; K1127-M1153 HydrophobicContact CG-CE 4.23Å; K1127-M1153 HydrophobicContact CG-SD 4.45Å |
| 1128 | S | 83.7 | Confident | 85.2 | Confident | 49 Ų | 49 | 35.5 Ų | 35.5 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55.9 | -48.8 | 174.6 | 49.7 | 0 | 0 | 0 | 0 | 112 | D126 Q1126 A1130 I1131 L1132 | D126-S1128 PolarHBondContact OD2-N 2.81Å; D126-S1128 PolarHBondContact OD2-OG 2.63Å; Q1126-S1128 VanDerWaalsContact C-N 3.32Å; Q1126-S1128 PolarHBondContact O-N 3.29Å; S1128-A1130 PolarHBondContact O-N 2.86Å; S1128-I1131 PolarHBondContact O-N 2.96Å; S1128-L1132 PolarHBondContact O-N 3.03Å |
| 1129 | K | 85.5 | Confident | 85.1 | Confident | 49 Ų | 49 | 34.1 Ų | 34.1 | 21% | 0.213 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 174.9 | -168.7 | 171.7 | -178.2 | 171.3 | 0 | 112.1 | F169 L1119 Q1126 K1127 I1131 L1132 V1133 | F169-K1129 PolarHBondContact O-NZ 3.08Å; L1119-K1129 HydrophobicContact CD1-CB 4.34Å; L1119-K1129 HydrophobicContact CD1-CD 4.42Å; L1119-K1129 HydrophobicContact CD1-CG 4.1Å; Q1126-K1129 HydrophobicContact CB-CB 4.32Å; Q1126-K1129 PolarHBondContact O-N 3.38Å; K1127-K1129 PolarHBondContact O-N 2.8Å; K1129-I1131 PolarHBondContact O-N 2.84Å; K1129-L1132 PolarHBondContact O-N 2.81Å; K1129-V1133 WeakPolarHBondContact O-CG2 3.14Å; K1129-V1133 PolarHBondContact O-N 2.79Å; K1129-V1133 VanDerWaalsContact O-N 3.09Å |
| 1130 | A | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1116 L1119 C1120 Q1126 K1127 S1128 V1133 L1134 M1146 | A1116-A1130 HydrophobicContact CB-CB 4.35Å; L1119-A1130 HydrophobicContact CB-CB 3.88Å; L1119-A1130 HydrophobicContact CD1-CB 4.33Å; C1120-A1130 WeakPolarHBondContact SG-CB 3.42Å; Q1126-A1130 PolarHBondContact O-N 2.8Å; Q1126-A1130 VanDerWaalsContact O-N 3.12Å; K1127-A1130 WeakPolarHBondContact O-CB 3.32Å; K1127-A1130 PolarHBondContact O-N 2.95Å; S1128-A1130 PolarHBondContact O-N 2.86Å; A1130-V1133 PolarHBondContact O-N 2.98Å; A1130-L1134 WeakPolarHBondContact O-CG 3.49Å; A1130-L1134 PolarHBondContact O-N 3.45Å; A1130-M1146 HydrophobicContact CB-CE 4.43Å |
| 1131 | I | 89.4 | Confident | 85.5 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 175.2 | -69.5 | 162.8 | 0 | 0 | 0 | 110.7 | F930 K1127 S1128 K1129 V1133 L1134 L1135 V1143 M1146 L1147 M1153 | F930-I1131 HydrophobicContact CD2-CG2 3.8Å; F930-I1131 HydrophobicContact CE2-CG2 3.65Å; K1127-I1131 WeakPolarHBondContact O-CG1 2.99Å; K1127-I1131 PolarHBondContact O-N 2.86Å; S1128-I1131 PolarHBondContact O-N 2.96Å; K1129-I1131 PolarHBondContact O-N 2.84Å; I1131-V1133 VanDerWaalsContact C-N 3.31Å; I1131-V1133 PolarHBondContact O-N 3.49Å; I1131-L1134 PolarHBondContact O-N 2.8Å; I1131-L1135 HydrophobicContact CG2-CD1 4.3Å; I1131-L1135 WeakPolarHBondContact O-CG 3.38Å; I1131-L1135 PolarHBondContact O-N 2.88Å; I1131-V1143 HydrophobicContact CG2-CG1 3.96Å; I1131-M1146 HydrophobicContact CB-CE 4.23Å; I1131-M1146 HydrophobicContact CD1-CE 4.34Å; I1131-M1146 HydrophobicContact CG1-CE 3.26Å; I1131-L1147 HydrophobicContact CD1-CD2 3.84Å; I1131-M1153 HydrophobicContact CD1-CE 4.43Å; I1131-M1153 HydrophobicContact CD1-SD 4.29Å |
| 1132 | L | 90.6 | Very high | 85.7 | Confident | 30 Ų | 30 | 40.2 Ų | 40.2 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -39.8 | 179.6 | -60.2 | 178.4 | 0 | 0 | 0 | 111.9 | V933 L973 S1128 K1129 L1135 S1136 | V933-L1132 HydrophobicContact CB-CD2 4.19Å; V933-L1132 HydrophobicContact CG2-CD2 4.2Å; L973-L1132 HydrophobicContact CD1-CB 3.77Å; L973-L1132 HydrophobicContact CD1-CD1 4.01Å; L973-L1132 HydrophobicContact CD1-CG 4.46Å; L973-L1132 HydrophobicContact CD2-CB 3.91Å; S1128-L1132 PolarHBondContact O-N 3.03Å; K1129-L1132 PolarHBondContact O-N 2.81Å; L1132-L1135 HydrophobicContact CD2-CD1 4.32Å; L1132-L1135 WeakPolarHBondContact O-CB 3.44Å; L1132-L1135 PolarHBondContact O-N 2.98Å; L1132-S1136 PolarHBondContact O-N 3.19Å; L1132-S1136 VanDerWaalsContact O-N 3.11Å |
| 1133 | V | 90.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | L973 L1112 W1115 A1116 K1129 A1130 I1131 L1135 S1136 L1137 | L973-V1133 HydrophobicContact CD2-CG2 4.04Å; L1112-V1133 HydrophobicContact CB-CG1 4.19Å; W1115-V1133 HydrophobicContact CE3-CG1 4.2Å; W1115-V1133 HydrophobicContact CE3-CG2 3.95Å; W1115-V1133 HydrophobicContact CH2-CG2 4.25Å; W1115-V1133 HydrophobicContact CZ3-CG1 4.46Å; W1115-V1133 HydrophobicContact CZ3-CG2 3.56Å; A1116-V1133 HydrophobicContact CB-CG1 4.38Å; K1129-V1133 WeakPolarHBondContact O-CG2 3.14Å; K1129-V1133 PolarHBondContact O-N 2.79Å; K1129-V1133 VanDerWaalsContact O-N 3.09Å; A1130-V1133 PolarHBondContact O-N 2.98Å; I1131-V1133 VanDerWaalsContact C-N 3.31Å; I1131-V1133 PolarHBondContact O-N 3.49Å; V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 2.76Å; V1133-S1136 PolarHBondContact O-N 2.9Å; V1133-S1136 VanDerWaalsContact O-N 3.13Å; V1133-S1136 PolarHBondContact O-OG 2.76Å; V1133-L1137 HydrophobicContact CG1-CD1 4.4Å; V1133-L1137 WeakPolarHBondContact O-CG 3.18Å; V1133-L1137 PolarHBondContact O-N 2.93Å |
| 1134 | L | 90 | Very high | 86.8 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.047 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -34 | 179.2 | -70.2 | 173.5 | 0 | 0 | 0 | 113.2 | A1116 A1130 I1131 L1137 G1138 C1139 V1143 M1146 | A1116-L1134 HydrophobicContact CB-CD2 4.02Å; A1116-L1134 HydrophobicContact CB-CG 4.01Å; A1130-L1134 WeakPolarHBondContact O-CG 3.49Å; A1130-L1134 PolarHBondContact O-N 3.45Å; I1131-L1134 PolarHBondContact O-N 2.8Å; L1134-L1137 PolarHBondContact O-N 2.82Å; L1134-G1138 PolarHBondContact O-N 2.81Å; L1134-C1139 HydrophobicContact CB-CB 4.43Å; L1134-C1139 HydrophobicContact CD2-CB 4.21Å; L1134-C1139 PolarHBondContact O-N 2.84Å; L1134-C1139 VanDerWaalsContact O-N 3.1Å; L1134-V1143 HydrophobicContact CB-CG2 3.55Å; L1134-M1146 HydrophobicContact CD1-CE 3.67Å; L1134-M1146 HydrophobicContact CD1-SD 3.39Å; L1134-M1146 WeakPolarHBondContact CD1-SD 3.31Å |
| 1135 | L | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 171 | -76.4 | 173.3 | 0 | 0 | 0 | 111.4 | F930 V933 A934 I1131 L1132 V1133 L1137 G1138 F1140 V1143 F1162 | F930-L1135 HydrophobicContact CD2-CD1 3.81Å; F930-L1135 HydrophobicContact CE2-CD1 3.68Å; F930-L1135 HydrophobicContact CZ-CD1 4.47Å; V933-L1135 HydrophobicContact CG1-CB 4.13Å; V933-L1135 HydrophobicContact CG1-CD1 4.32Å; A934-L1135 HydrophobicContact CB-CD1 4.11Å; A934-L1135 HydrophobicContact CB-CD2 4.34Å; I1131-L1135 HydrophobicContact CG2-CD1 4.3Å; I1131-L1135 WeakPolarHBondContact O-CG 3.38Å; I1131-L1135 PolarHBondContact O-N 2.88Å; L1132-L1135 HydrophobicContact CD2-CD1 4.32Å; L1132-L1135 WeakPolarHBondContact O-CB 3.44Å; L1132-L1135 PolarHBondContact O-N 2.98Å; V1133-L1135 VanDerWaalsContact C-N 3.31Å; V1133-L1135 PolarHBondContact O-N 2.76Å; L1135-L1137 PolarHBondContact O-N 3.5Å; L1135-L1137 VanDerWaalsContact O-N 3.17Å; L1135-G1138 PolarHBondContact O-N 3.44Å; L1135-F1140 HydrophobicContact CD2-CD1 4.49Å; L1135-V1143 HydrophobicContact CD2-CB 4.45Å; L1135-V1143 HydrophobicContact CD2-CG1 3.98Å; L1135-V1143 HydrophobicContact CD2-CG2 4.13Å; L1135-V1143 HydrophobicContact CG-CG1 4.27Å; L1135-V1143 HydrophobicContact CG-CG2 4.14Å; L1135-F1162 HydrophobicContact CD2-CE2 3.45Å; L1135-F1162 VanDerWaalsContact CD2-CE2 3.45Å; L1135-F1162 HydrophobicContact CD2-CZ 3.38Å |
| 1136 | S | 90.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 7% | 0.07 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -22.1 | 178.4 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | Y937 L1132 V1133 | Y937-S1136 WeakPolarHBondContact CE1-O 3.14Å; L1132-S1136 PolarHBondContact O-N 3.19Å; L1132-S1136 VanDerWaalsContact O-N 3.11Å; V1133-S1136 PolarHBondContact O-N 2.9Å; V1133-S1136 VanDerWaalsContact O-N 3.13Å; V1133-S1136 PolarHBondContact O-OG 2.76Å |
| 1137 | L | 88.1 | Confident | 87.9 | Confident | 28 Ų | 28 | 25.6 Ų | 25.6 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.7 | 177.9 | -62.7 | -179.6 | 0 | 0 | 0 | 113.7 | L1112 K1113 V1133 L1134 L1135 C1139 | L1112-L1137 HydrophobicContact CB-CD1 3.79Å; L1112-L1137 HydrophobicContact CB-CD2 4.1Å; L1112-L1137 HydrophobicContact CB-CG 4.41Å; L1112-L1137 HydrophobicContact CD1-CD2 3.82Å; K1113-L1137 HydrophobicContact CG-CD1 3.88Å; V1133-L1137 HydrophobicContact CG1-CD1 4.4Å; V1133-L1137 WeakPolarHBondContact O-CG 3.18Å; V1133-L1137 PolarHBondContact O-N 2.93Å; L1134-L1137 PolarHBondContact O-N 2.82Å; L1135-L1137 PolarHBondContact O-N 3.5Å; L1135-L1137 VanDerWaalsContact O-N 3.17Å; L1137-C1139 VanDerWaalsContact C-N 3.28Å; L1137-C1139 PolarHBondContact O-N 3.21Å |
| 1138 | G | 86.5 | Confident | 87.8 | Confident | 21 Ų | 21 | 25 Ų | 25 | 22% | 0.216 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 20.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1134 L1135 F1140 | L1134-G1138 PolarHBondContact O-N 2.81Å; L1135-G1138 PolarHBondContact O-N 3.44Å; G1138-F1140 WeakPolarHBondContact O-CD2 3.4Å; G1138-F1140 WeakPolarHBondContact O-CE2 3.49Å; G1138-F1140 PolarHBondContact O-N 2.89Å |
| 1139 | C | 89 | Confident | 87 | Confident | 25 Ų | 25 | 25.9 Ų | 25.9 | 17% | 0.169 | 14% | 0.135 | C | C | . | . | trans | -83.4 | 54.2 | 179.2 | -70 | 0 | 0 | 0 | 0 | 111.9 | L1134 L1137 Y1141 K1142 V1143 | L1134-C1139 HydrophobicContact CB-CB 4.43Å; L1134-C1139 HydrophobicContact CD2-CB 4.21Å; L1134-C1139 PolarHBondContact O-N 2.84Å; L1134-C1139 VanDerWaalsContact O-N 3.1Å; L1137-C1139 VanDerWaalsContact C-N 3.28Å; L1137-C1139 PolarHBondContact O-N 3.21Å; C1139-Y1141 VanDerWaalsContact C-N 3.34Å; C1139-Y1141 PolarHBondContact O-N 3.26Å; C1139-K1142 HydrophobicContact CB-CB 4.49Å; C1139-K1142 PolarHBondContact O-N 2.58Å; C1139-K1142 VanDerWaalsContact O-N 3.17Å; C1139-V1143 PolarHBondContact O-N 3.4Å; C1139-V1143 VanDerWaalsContact O-N 3.14Å | ||
| 1140 | F | 89.9 | Confident | 85.4 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.9 | -38.2 | -168.8 | -55.4 | -76.9 | 0 | 0 | 0 | 114 | L938 F941 L1135 G1138 V1143 G1144 F1162 V1171 M1172 | L938-F1140 HydrophobicContact CD2-CD1 3.72Å; L938-F1140 HydrophobicContact CD2-CE1 3.46Å; L938-F1140 VanDerWaalsContact CD2-CE1 3.46Å; L938-F1140 HydrophobicContact CD2-CZ 4.08Å; L938-F1140 HydrophobicContact CG-CE1 4.05Å; F941-F1140 HydrophobicContact CB-CE2 4.21Å; F941-F1140 HydrophobicContact CB-CZ 4.16Å; F941-F1140 HydrophobicContact CD2-CE2 4.11Å; F941-F1140 AromaticContact CD2-CZ 3.71Å; F941-F1140 HydrophobicContact CD2-CZ 3.71Å; F941-F1140 HydrophobicContact CE2-CZ 4.36Å; F941-F1140 HydrophobicContact CG-CE2 4.07Å; F941-F1140 HydrophobicContact CG-CZ 4.05Å; L1135-F1140 HydrophobicContact CD2-CD1 4.49Å; G1138-F1140 WeakPolarHBondContact O-CD2 3.4Å; G1138-F1140 WeakPolarHBondContact O-CE2 3.49Å; G1138-F1140 PolarHBondContact O-N 2.89Å; F1140-V1143 PolarHBondContact O-N 2.84Å; F1140-G1144 PolarHBondContact O-N 3.19Å; F1140-F1162 HydrophobicContact CB-CZ 4.42Å; F1140-F1162 HydrophobicContact CD1-CE2 4.42Å; F1140-F1162 AromaticContact CD1-CZ 3.83Å; F1140-F1162 HydrophobicContact CD1-CZ 3.83Å; F1140-V1171 HydrophobicContact CD2-CG1 3.32Å; F1140-V1171 HydrophobicContact CE2-CB 4.46Å; F1140-V1171 HydrophobicContact CE2-CG1 3.12Å; F1140-V1171 HydrophobicContact CG-CG1 4.18Å; F1140-V1171 HydrophobicContact CZ-CG1 3.84Å; F1140-M1172 HydrophobicContact CB-CE 4.36Å |
| 1141 | Y | 88.4 | Confident | 83.4 | Confident | 91 Ų | 91 | 29.8 Ų | 29.8 | 36% | 0.357 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.1 | -48.7 | 176.4 | 176.6 | -90.6 | 0 | 0 | 0 | 112.1 | C1139 V1143 G1144 E1145 L1181 | C1139-Y1141 VanDerWaalsContact C-N 3.34Å; C1139-Y1141 PolarHBondContact O-N 3.26Å; Y1141-V1143 VanDerWaalsContact C-N 3.28Å; Y1141-V1143 PolarHBondContact O-N 2.84Å; Y1141-G1144 PolarHBondContact O-N 3.44Å; Y1141-E1145 PolarHBondContact O-N 2.78Å; Y1141-L1181 HydrophobicContact CD2-CD2 3.93Å; Y1141-L1181 HydrophobicContact CE2-CB 4.21Å; Y1141-L1181 HydrophobicContact CE2-CD2 3.71Å |
| 1142 | K | 87.6 | Confident | 81.6 | Confident | 90 Ų | 90 | 35.3 Ų | 35.3 | 39% | 0.391 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.1 | -34.5 | 178.1 | -71.2 | -170.6 | 176.1 | -170.6 | 0 | 111.9 | C1139 E1145 M1146 | C1139-K1142 HydrophobicContact CB-CB 4.49Å; C1139-K1142 PolarHBondContact O-N 2.58Å; C1139-K1142 VanDerWaalsContact O-N 3.17Å; K1142-E1145 PolarHBondContact O-N 3.37Å; K1142-M1146 WeakPolarHBondContact O-CB 3.42Å; K1142-M1146 WeakPolarHBondContact O-CG 3.49Å; K1142-M1146 PolarHBondContact O-N 2.9Å |
| 1143 | V | 89.3 | Confident | 80.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.4 | -47.4 | 174.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | F930 I1131 L1134 L1135 C1139 F1140 Y1141 E1145 M1146 L1147 F1162 | F930-V1143 HydrophobicContact CE2-CG1 4.33Å; I1131-V1143 HydrophobicContact CG2-CG1 3.96Å; L1134-V1143 HydrophobicContact CB-CG2 3.55Å; L1135-V1143 HydrophobicContact CD2-CB 4.45Å; L1135-V1143 HydrophobicContact CD2-CG1 3.98Å; L1135-V1143 HydrophobicContact CD2-CG2 4.13Å; L1135-V1143 HydrophobicContact CG-CG1 4.27Å; L1135-V1143 HydrophobicContact CG-CG2 4.14Å; C1139-V1143 PolarHBondContact O-N 3.4Å; C1139-V1143 VanDerWaalsContact O-N 3.14Å; F1140-V1143 PolarHBondContact O-N 2.84Å; Y1141-V1143 VanDerWaalsContact C-N 3.28Å; Y1141-V1143 PolarHBondContact O-N 2.84Å; V1143-E1145 VanDerWaalsContact C-N 3.31Å; V1143-E1145 PolarHBondContact O-N 3.5Å; V1143-M1146 PolarHBondContact O-N 3.02Å; V1143-L1147 HydrophobicContact CG1-CD1 3.89Å; V1143-L1147 HydrophobicContact CG1-CG 4.35Å; V1143-L1147 WeakPolarHBondContact O-CB 3.47Å; V1143-L1147 VanDerWaalsContact O-CG 3.27Å; V1143-L1147 WeakPolarHBondContact O-CG 3Å; V1143-L1147 PolarHBondContact O-N 2.79Å; V1143-F1162 HydrophobicContact CB-CE1 3.83Å; V1143-F1162 HydrophobicContact CB-CZ 4.1Å; V1143-F1162 HydrophobicContact CG1-CD1 4.18Å; V1143-F1162 HydrophobicContact CG1-CE1 3.52Å; V1143-F1162 HydrophobicContact CG1-CZ 3.73Å |
| 1144 | G | 86.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1140 Y1141 L1147 H1148 | F1140-G1144 PolarHBondContact O-N 3.19Å; Y1141-G1144 PolarHBondContact O-N 3.44Å; G1144-L1147 PolarHBondContact O-N 3.19Å; G1144-H1148 VanDerWaalsContact O-CB 3.32Å; G1144-H1148 WeakPolarHBondContact O-CB 3.37Å; G1144-H1148 PolarHBondContact O-N 3.1Å |
| 1145 | E | 87 | Confident | 79.1 | Confident | 59 Ų | 59 | 43.8 Ų | 43.8 | 28% | 0.276 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.3 | -43.9 | 176.2 | -173.8 | -179.5 | -162.2 | 0 | 0 | 112.4 | Y1141 K1142 V1143 L1147 H1148 S1149 L1150 L1181 | Y1141-E1145 PolarHBondContact O-N 2.78Å; K1142-E1145 PolarHBondContact O-N 3.37Å; V1143-E1145 VanDerWaalsContact C-N 3.31Å; V1143-E1145 PolarHBondContact O-N 3.5Å; E1145-L1147 PolarHBondContact O-N 3.49Å; E1145-H1148 PolarHBondContact O-N 3.17Å; E1145-S1149 WeakPolarHBondContact CG-OG 3.31Å; E1145-S1149 PolarHBondContact O-N 3.04Å; E1145-S1149 PolarHBondContact O-OG 3.41Å; E1145-S1149 VanDerWaalsContact O-OG 3.14Å; E1145-L1150 HydrophobicContact CG-CD1 4.29Å; E1145-L1150 PolarHBondContact O-N 2.83Å; E1145-L1150 VanDerWaalsContact O-N 3.09Å; E1145-L1181 HydrophobicContact CB-CD1 4.46Å; E1145-L1181 HydrophobicContact CB-CD2 4.23Å |
| 1146 | M | 85.1 | Confident | 78.8 | Confident | 20 Ų | 20 | 46.1 Ų | 46.1 | 10% | 0.099 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -36.4 | 177.7 | -77 | -175.3 | 10.1 | 0 | 0 | 113.1 | A1130 I1131 L1134 K1142 V1143 L1150 | A1130-M1146 HydrophobicContact CB-CE 4.43Å; I1131-M1146 HydrophobicContact CB-CE 4.23Å; I1131-M1146 HydrophobicContact CD1-CE 4.34Å; I1131-M1146 HydrophobicContact CG1-CE 3.26Å; L1134-M1146 HydrophobicContact CD1-CE 3.67Å; L1134-M1146 HydrophobicContact CD1-SD 3.39Å; L1134-M1146 WeakPolarHBondContact CD1-SD 3.31Å; K1142-M1146 WeakPolarHBondContact O-CB 3.42Å; K1142-M1146 WeakPolarHBondContact O-CG 3.49Å; K1142-M1146 PolarHBondContact O-N 2.9Å; V1143-M1146 PolarHBondContact O-N 3.02Å; M1146-L1150 HydrophobicContact CG-CB 4.14Å |
| 1147 | L | 84.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.4 | -69.3 | 171.5 | 0 | 0 | 0 | 111.6 | F930 I1131 V1143 G1144 E1145 Y1155 R1158 A1159 F1162 | F930-L1147 HydrophobicContact CE2-CD1 4.04Å; F930-L1147 HydrophobicContact CZ-CD1 3.81Å; I1131-L1147 HydrophobicContact CD1-CD2 3.84Å; V1143-L1147 HydrophobicContact CG1-CD1 3.89Å; V1143-L1147 HydrophobicContact CG1-CG 4.35Å; V1143-L1147 WeakPolarHBondContact O-CB 3.47Å; V1143-L1147 VanDerWaalsContact O-CG 3.27Å; V1143-L1147 WeakPolarHBondContact O-CG 3Å; V1143-L1147 PolarHBondContact O-N 2.79Å; G1144-L1147 PolarHBondContact O-N 3.19Å; E1145-L1147 PolarHBondContact O-N 3.49Å; L1147-Y1155 HydrophobicContact CD2-CD2 3.89Å; L1147-Y1155 PolarHBondContact O-N 3.28Å; L1147-R1158 HydrophobicContact CD1-CG 4.49Å; L1147-A1159 HydrophobicContact CB-CB 3.77Å; L1147-F1162 HydrophobicContact CD1-CB 4.45Å; L1147-F1162 HydrophobicContact CD1-CD1 4.19Å; L1147-F1162 HydrophobicContact CD1-CG 4.44Å |
| 1148 | H | 82.1 | Confident | 78.7 | Confident | 24 Ų | 24 | 45.9 Ų | 45.9 | 11% | 0.111 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -85.9 | -58.8 | -176.4 | -179.8 | -102.5 | 0 | 0 | 0 | 113.9 | G1144 E1145 A1159 L1181 D1188 | G1144-H1148 VanDerWaalsContact O-CB 3.32Å; G1144-H1148 WeakPolarHBondContact O-CB 3.37Å; G1144-H1148 PolarHBondContact O-N 3.1Å; E1145-H1148 PolarHBondContact O-N 3.17Å; H1148-A1159 HydrophobicContact CB-CB 4.25Å; H1148-L1181 HydrophobicContact CB-CD1 4.14Å; H1148-D1188 IonicContact CD2-OD2 2.73Å; H1148-D1188 IonicContact CE1-OD2 3.26Å; H1148-D1188 IonicContact NE2-OD2 3.66Å; H1148-D1188 PolarHBondContact NE2-OD2 2.88Å |
| 1149 | S | 66.1 | Low | 78.9 | Confident | 69 Ų | 69 | 44.9 Ų | 44.9 | 48% | 0.483 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -31.6 | -161.1 | 72.9 | 0 | 0 | 0 | 0 | 114.7 | E1145 G1151 | E1145-S1149 WeakPolarHBondContact CG-OG 3.31Å; E1145-S1149 PolarHBondContact O-N 3.04Å; E1145-S1149 PolarHBondContact O-OG 3.41Å; E1145-S1149 VanDerWaalsContact O-OG 3.14Å; S1149-G1151 PolarHBondContact O-N 3.14Å |
| 1150 | L | 51.2 | Low | 78.9 | Confident | 95 Ų | 95 | 43.7 Ų | 43.7 | 50% | 0.497 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -85.3 | 89.5 | -169.5 | -133.8 | 111.5 | 0 | 0 | 0 | 113.1 | E1145 M1146 | E1145-L1150 HydrophobicContact CG-CD1 4.29Å; E1145-L1150 PolarHBondContact O-N 2.83Å; E1145-L1150 VanDerWaalsContact O-N 3.09Å; M1146-L1150 HydrophobicContact CG-CB 4.14Å |
| 1151 | G | 47.4 | Very low | 79 | Confident | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 88.9 | 86.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K1127 S1149 M1153 | K1127-G1151 PolarHBondContact NZ-O 2.58Å; S1149-G1151 PolarHBondContact O-N 3.14Å; G1151-M1153 PolarHBondContact O-N 2.79Å |
| 1152 | S | 52.2 | Low | 79.2 | Confident | 119 Ų | 119 | 39 Ų | 39 | 83% | 0.832 | 21% | 0.205 | S | C | * | . | S | Bend | trans | 53.5 | -3.1 | 167.2 | -161.6 | 0 | 0 | 0 | 0 | 118.3 | ||
| 1153 | M | 63.2 | Low | 79.4 | Confident | 17 Ų | 17 | 34.7 Ų | 34.7 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | trans | -76.3 | -52 | -174.4 | -74.7 | -178.6 | 133.1 | 0 | 0 | 112.1 | K1127 I1131 G1151 Y1155 | K1127-M1153 HydrophobicContact CB-CE 3.28Å; K1127-M1153 HydrophobicContact CB-SD 3.85Å; K1127-M1153 HydrophobicContact CD-CE 3.84Å; K1127-M1153 HydrophobicContact CD-CG 4.2Å; K1127-M1153 HydrophobicContact CD-SD 3.75Å; K1127-M1153 HydrophobicContact CG-CE 4.23Å; K1127-M1153 HydrophobicContact CG-SD 4.45Å; I1131-M1153 HydrophobicContact CD1-CE 4.43Å; I1131-M1153 HydrophobicContact CD1-SD 4.29Å; G1151-M1153 PolarHBondContact O-N 2.79Å; M1153-Y1155 VanDerWaalsContact C-CD1 3.49Å; M1153-Y1155 HydrophobicContact CB-CD1 4.05Å; M1153-Y1155 HydrophobicContact CB-CD2 4.3Å; M1153-Y1155 HydrophobicContact CB-CE1 3.84Å; M1153-Y1155 HydrophobicContact CB-CE2 4.12Å; M1153-Y1155 HydrophobicContact CB-CG 4.27Å; M1153-Y1155 HydrophobicContact CE-CE2 3.88Å; M1153-Y1155 HydrophobicContact CG-CE1 4.34Å; M1153-Y1155 HydrophobicContact CG-CE2 4.21Å; M1153-Y1155 WeakPolarHBondContact O-CD1 3.05Å; M1153-Y1155 WeakPolarHBondContact O-CE1 3.49Å; M1153-Y1155 PolarHBondContact O-N 2.95Å; M1153-Y1155 HydrophobicContact SD-CE2 4.13Å | ||
| 1154 | R | 72.3 | Confident | 79.5 | Confident | 172 Ų | 172 | 35.5 Ų | 35.5 | 65% | 0.649 | 19% | 0.19 | S | C | * | . | trans | 51.9 | 48.3 | 176.3 | -63.7 | -176.2 | 176.2 | -178.5 | -0.6 | 112.9 | F1156 | R1154-F1156 VanDerWaalsContact C-N 3.3Å; R1154-F1156 HydrophobicContact CB-CE1 4.18Å; R1154-F1156 HydrophobicContact CB-CE2 3.94Å; R1154-F1156 HydrophobicContact CB-CZ 3.7Å; R1154-F1156 HydrophobicContact CG-CE1 4.5Å; R1154-F1156 HydrophobicContact CG-CZ 4Å; R1154-F1156 PolarHBondContact O-N 3.42Å; R1154-F1156 VanDerWaalsContact O-N 3.09Å | ||
| 1155 | Y | 82.9 | Confident | 79.6 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 12% | 0.122 | 19% | 0.192 | C | C | . | . | trans | -87 | 68.1 | -178.9 | -60.2 | -12.7 | 0 | 0 | 0 | 110.6 | Y75 L1147 M1153 D1157 R1158 A1159 | Y75-Y1155 AromaticContact CD1-CD1 3.09Å; Y75-Y1155 HydrophobicContact CD1-CD1 3.09Å; Y75-Y1155 AromaticContact CD1-CE1 3.36Å; Y75-Y1155 HydrophobicContact CD1-CE1 3.36Å; Y75-Y1155 AromaticContact CD1-CG 3.9Å; Y75-Y1155 HydrophobicContact CD1-CG 3.9Å; Y75-Y1155 AromaticContact CD2-CD1 3.82Å; Y75-Y1155 HydrophobicContact CD2-CD1 3.82Å; Y75-Y1155 HydrophobicContact CD2-CD2 4.18Å; Y75-Y1155 HydrophobicContact CD2-CE1 4.31Å; Y75-Y1155 AromaticContact CD2-CG 3.76Å; Y75-Y1155 HydrophobicContact CD2-CG 3.76Å; Y75-Y1155 AromaticContact CE1-CD1 3.48Å; Y75-Y1155 HydrophobicContact CE1-CD1 3.48Å; Y75-Y1155 VanDerWaalsContact CE1-CD1 3.48Å; Y75-Y1155 HydrophobicContact CE1-CE1 4.2Å; Y75-Y1155 HydrophobicContact CE1-CG 4.13Å; Y75-Y1155 HydrophobicContact CE2-CD1 4.17Å; Y75-Y1155 HydrophobicContact CE2-CG 4.02Å; Y75-Y1155 AromaticContact CG-CD1 3.25Å; Y75-Y1155 HydrophobicContact CG-CD1 3.25Å; Y75-Y1155 HydrophobicContact CG-CD2 4.17Å; Y75-Y1155 AromaticContact CG-CE1 3.4Å; Y75-Y1155 HydrophobicContact CG-CE1 3.4Å; Y75-Y1155 VanDerWaalsContact CG-CE1 3.4Å; Y75-Y1155 HydrophobicContact CG-CE2 4.28Å; Y75-Y1155 AromaticContact CG-CG 3.68Å; Y75-Y1155 HydrophobicContact CG-CG 3.68Å; Y75-Y1155 AromaticContact CG-CZ 3.92Å; L1147-Y1155 HydrophobicContact CD2-CD2 3.89Å; L1147-Y1155 PolarHBondContact O-N 3.28Å; M1153-Y1155 VanDerWaalsContact C-CD1 3.49Å; M1153-Y1155 HydrophobicContact CB-CD1 4.05Å; M1153-Y1155 HydrophobicContact CB-CD2 4.3Å; M1153-Y1155 HydrophobicContact CB-CE1 3.84Å; M1153-Y1155 HydrophobicContact CB-CE2 4.12Å; M1153-Y1155 HydrophobicContact CB-CG 4.27Å; M1153-Y1155 HydrophobicContact CE-CE2 3.88Å; M1153-Y1155 HydrophobicContact CG-CE1 4.34Å; M1153-Y1155 HydrophobicContact CG-CE2 4.21Å; M1153-Y1155 WeakPolarHBondContact O-CD1 3.05Å; M1153-Y1155 WeakPolarHBondContact O-CE1 3.49Å; M1153-Y1155 PolarHBondContact O-N 2.95Å; M1153-Y1155 HydrophobicContact SD-CE2 4.13Å; Y1155-D1157 PolarHBondContact O-N 2.91Å; Y1155-R1158 PolarHBondContact O-N 2.96Å; Y1155-A1159 VanDerWaalsContact O-CB 3.23Å; Y1155-A1159 WeakPolarHBondContact O-CB 3.25Å; Y1155-A1159 PolarHBondContact O-N 3.36Å | ||
| 1156 | F | 84.9 | Confident | 79.8 | Confident | 48 Ų | 48 | 32.9 Ų | 32.9 | 21% | 0.211 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | -168.2 | -57.5 | -56.6 | 0 | 0 | 0 | 114 | R1154 A1160 D1188 L1192 | R1154-F1156 VanDerWaalsContact C-N 3.3Å; R1154-F1156 HydrophobicContact CB-CE1 4.18Å; R1154-F1156 HydrophobicContact CB-CE2 3.94Å; R1154-F1156 HydrophobicContact CB-CZ 3.7Å; R1154-F1156 HydrophobicContact CG-CE1 4.5Å; R1154-F1156 HydrophobicContact CG-CZ 4Å; R1154-F1156 PolarHBondContact O-N 3.42Å; R1154-F1156 VanDerWaalsContact O-N 3.09Å; F1156-A1160 WeakPolarHBondContact O-CB 3.47Å; F1156-A1160 PolarHBondContact O-N 3.21Å; F1156-D1188 HydrophobicContact CD1-CB 3.51Å; F1156-D1188 HydrophobicContact CE1-CB 3.74Å; F1156-D1188 HydrophobicContact CG-CB 4.04Å; F1156-D1188 HydrophobicContact CZ-CB 4.44Å; F1156-L1192 HydrophobicContact CB-CD2 4.38Å |
| 1157 | D | 86.6 | Confident | 80 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -47.1 | -178.6 | 67.9 | -10.8 | 0 | 0 | 0 | 111.8 | Y75 Y1155 A1159 A1160 L1161 Y1189 | Y75-D1157 WeakPolarHBondContact CE2-OD1 3.3Å; Y75-D1157 VanDerWaalsContact OH-CG 3.31Å; Y75-D1157 PolarHBondContact OH-OD1 2.8Å; Y1155-D1157 PolarHBondContact O-N 2.91Å; D1157-A1159 VanDerWaalsContact C-N 3.33Å; D1157-A1159 PolarHBondContact O-N 2.84Å; D1157-A1160 PolarHBondContact O-N 3.14Å; D1157-L1161 WeakPolarHBondContact O-CB 3.33Å; D1157-L1161 VanDerWaalsContact O-CG 3.23Å; D1157-L1161 WeakPolarHBondContact O-CG 3.25Å; D1157-L1161 PolarHBondContact O-N 2.85Å; D1157-Y1189 HydrophobicContact CB-CD2 3.77Å; D1157-Y1189 HydrophobicContact CB-CE2 3.32Å |
| 1158 | R | 89.5 | Confident | 80.1 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 6% | 0.06 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -41 | 179.8 | -166.5 | -170.3 | -70.6 | 172.7 | 1.6 | 109.6 | Y75 S926 D927 F930 W931 L1147 Y1155 F1162 | Y75-R1158 HydrophobicContact CE2-CB 4.37Å; S926-R1158 PolarHBondContact OG-NH2 3.37Å; S926-R1158 VanDerWaalsContact OG-NH2 3.1Å; D927-R1158 IonicContact OD1-CZ 3.59Å; D927-R1158 IonicContact OD1-NE 3.79Å; D927-R1158 PolarHBondContact OD1-NE 2.74Å; D927-R1158 IonicContact OD1-NH2 2.77Å; D927-R1158 PolarHBondContact OD1-NH2 2.87Å; F930-R1158 HydrophobicContact CD1-CG 3.93Å; F930-R1158 HydrophobicContact CE1-CG 3.63Å; F930-R1158 HydrophobicContact CZ-CG 4.11Å; W931-R1158 HydrophobicContact CZ2-CG 4.09Å; L1147-R1158 HydrophobicContact CD1-CG 4.49Å; Y1155-R1158 PolarHBondContact O-N 2.96Å; R1158-F1162 WeakPolarHBondContact O-CB 3.35Å; R1158-F1162 PolarHBondContact O-N 2.87Å |
| 1159 | A | 90.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -52.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1147 H1148 Y1155 D1157 F1162 I1163 | L1147-A1159 HydrophobicContact CB-CB 3.77Å; H1148-A1159 HydrophobicContact CB-CB 4.25Å; Y1155-A1159 VanDerWaalsContact O-CB 3.23Å; Y1155-A1159 WeakPolarHBondContact O-CB 3.25Å; Y1155-A1159 PolarHBondContact O-N 3.36Å; D1157-A1159 VanDerWaalsContact C-N 3.33Å; D1157-A1159 PolarHBondContact O-N 2.84Å; A1159-F1162 PolarHBondContact O-N 2.84Å; A1159-I1163 WeakPolarHBondContact O-CB 3.49Å; A1159-I1163 VanDerWaalsContact O-CG1 3.23Å; A1159-I1163 WeakPolarHBondContact O-CG1 3.32Å; A1159-I1163 PolarHBondContact O-N 3.28Å |
| 1160 | A | 90.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.1 | -46.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1156 D1157 F1162 I1163 E1164 F1186 Y1189 W1205 | F1156-A1160 WeakPolarHBondContact O-CB 3.47Å; F1156-A1160 PolarHBondContact O-N 3.21Å; D1157-A1160 PolarHBondContact O-N 3.14Å; A1160-F1162 VanDerWaalsContact C-N 3.34Å; A1160-F1162 PolarHBondContact O-N 3Å; A1160-I1163 PolarHBondContact O-N 2.88Å; A1160-E1164 WeakPolarHBondContact O-CB 3.17Å; A1160-E1164 PolarHBondContact O-N 3.05Å; A1160-F1186 HydrophobicContact CB-CD1 3.99Å; A1160-F1186 HydrophobicContact CB-CE1 4.39Å; A1160-Y1189 HydrophobicContact CB-CD1 3.52Å; A1160-Y1189 HydrophobicContact CB-CE1 4.38Å; A1160-Y1189 HydrophobicContact CB-CG 3.78Å; A1160-W1205 HydrophobicContact CB-CE3 4.32Å; A1160-W1205 HydrophobicContact CB-CH2 4.16Å; A1160-W1205 HydrophobicContact CB-CZ3 3.89Å |
| 1161 | L | 91.5 | Very high | 82.4 | Confident | 4 Ų | 4 | 36.6 Ų | 36.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -37.4 | 178.2 | -66.1 | 169.8 | 0 | 0 | 0 | 112 | L862 L911 W931 D1157 A1165 W1205 | L862-L1161 HydrophobicContact CB-CD1 4.4Å; L862-L1161 HydrophobicContact CD1-CD1 3.86Å; L911-L1161 HydrophobicContact CD1-CD2 4.14Å; W931-L1161 HydrophobicContact CH2-CB 3.93Å; W931-L1161 HydrophobicContact CZ2-CB 4.2Å; D1157-L1161 WeakPolarHBondContact O-CB 3.33Å; D1157-L1161 VanDerWaalsContact O-CG 3.23Å; D1157-L1161 WeakPolarHBondContact O-CG 3.25Å; D1157-L1161 PolarHBondContact O-N 2.85Å; L1161-A1165 WeakPolarHBondContact O-CB 3.36Å; L1161-A1165 PolarHBondContact O-N 3.37Å; L1161-W1205 HydrophobicContact CD2-CH2 4.28Å; L1161-W1205 HydrophobicContact CD2-CZ2 3.87Å |
| 1162 | F | 93 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -68.3 | -44.4 | 177 | 174.2 | -106.8 | 0 | 0 | 0 | 111.8 | F930 W931 A934 L938 L1135 F1140 V1143 L1147 R1158 A1159 A1160 A1165 C1166 | F930-F1162 HydrophobicContact CE1-CB 4.48Å; F930-F1162 HydrophobicContact CE1-CD2 4.24Å; F930-F1162 HydrophobicContact CZ-CB 4.24Å; F930-F1162 AromaticContact CZ-CD2 3.76Å; F930-F1162 HydrophobicContact CZ-CD2 3.76Å; F930-F1162 HydrophobicContact CZ-CE2 4.26Å; F930-F1162 AromaticContact CZ-CG 3.99Å; F930-F1162 HydrophobicContact CZ-CG 3.99Å; W931-F1162 HydrophobicContact CH2-CB 4.09Å; W931-F1162 HydrophobicContact CZ3-CB 4.46Å; A934-F1162 HydrophobicContact CB-CD2 4.43Å; A934-F1162 HydrophobicContact CB-CE2 4.23Å; L938-F1162 HydrophobicContact CD1-CD2 4.48Å; L938-F1162 HydrophobicContact CD1-CE2 4.23Å; L1135-F1162 HydrophobicContact CD2-CE2 3.45Å; L1135-F1162 VanDerWaalsContact CD2-CE2 3.45Å; L1135-F1162 HydrophobicContact CD2-CZ 3.38Å; F1140-F1162 HydrophobicContact CB-CZ 4.42Å; F1140-F1162 HydrophobicContact CD1-CE2 4.42Å; F1140-F1162 AromaticContact CD1-CZ 3.83Å; F1140-F1162 HydrophobicContact CD1-CZ 3.83Å; V1143-F1162 HydrophobicContact CB-CE1 3.83Å; V1143-F1162 HydrophobicContact CB-CZ 4.1Å; V1143-F1162 HydrophobicContact CG1-CD1 4.18Å; V1143-F1162 HydrophobicContact CG1-CE1 3.52Å; V1143-F1162 HydrophobicContact CG1-CZ 3.73Å; L1147-F1162 HydrophobicContact CD1-CB 4.45Å; L1147-F1162 HydrophobicContact CD1-CD1 4.19Å; L1147-F1162 HydrophobicContact CD1-CG 4.44Å; R1158-F1162 WeakPolarHBondContact O-CB 3.35Å; R1158-F1162 PolarHBondContact O-N 2.87Å; A1159-F1162 PolarHBondContact O-N 2.84Å; A1160-F1162 VanDerWaalsContact C-N 3.34Å; A1160-F1162 PolarHBondContact O-N 3Å; F1162-A1165 PolarHBondContact O-N 3.09Å; F1162-C1166 PolarHBondContact O-N 3.31Å; F1162-C1166 PolarHBondContact O-SG 2.94Å |
| 1163 | I | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 175.5 | -70.5 | 167.9 | 0 | 0 | 0 | 109.9 | A1159 A1160 A1165 C1166 L1167 M1172 L1181 I1182 A1185 F1186 | A1159-I1163 WeakPolarHBondContact O-CB 3.49Å; A1159-I1163 VanDerWaalsContact O-CG1 3.23Å; A1159-I1163 WeakPolarHBondContact O-CG1 3.32Å; A1159-I1163 PolarHBondContact O-N 3.28Å; A1160-I1163 PolarHBondContact O-N 2.88Å; I1163-A1165 VanDerWaalsContact C-N 3.32Å; I1163-A1165 PolarHBondContact O-N 3.26Å; I1163-C1166 WeakPolarHBondContact O-CB 3.19Å; I1163-C1166 PolarHBondContact O-N 3.43Å; I1163-L1167 HydrophobicContact CG2-CD1 4.12Å; I1163-L1167 HydrophobicContact CG2-CG 4.46Å; I1163-L1167 WeakPolarHBondContact O-CG 3.48Å; I1163-L1167 PolarHBondContact O-N 2.98Å; I1163-M1172 HydrophobicContact CG1-CE 4.36Å; I1163-L1181 HydrophobicContact CD1-CG 4.37Å; I1163-I1182 HydrophobicContact CG2-CB 4.44Å; I1163-I1182 HydrophobicContact CG2-CG1 3.77Å; I1163-I1182 HydrophobicContact CG2-CG2 4.34Å; I1163-A1185 HydrophobicContact CD1-CB 3.67Å; I1163-F1186 HydrophobicContact CB-CE1 4.09Å; I1163-F1186 HydrophobicContact CG2-CE1 3.78Å; I1163-F1186 HydrophobicContact CG2-CZ 3.89Å |
| 1164 | E | 91.2 | Very high | 85.8 | Confident | 17 Ų | 17 | 37.2 Ų | 37.2 | 8% | 0.079 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -43.4 | 174.6 | -178 | -178 | -174.5 | 0 | 0 | 111.8 | L911 A1160 C1166 L1167 K1168 W1205 R1208 | L911-E1164 HydrophobicContact CD2-CB 4.13Å; L911-E1164 HydrophobicContact CD2-CG 3.94Å; A1160-E1164 WeakPolarHBondContact O-CB 3.17Å; A1160-E1164 PolarHBondContact O-N 3.05Å; E1164-C1166 VanDerWaalsContact C-N 3.32Å; E1164-C1166 PolarHBondContact O-N 3.05Å; E1164-L1167 PolarHBondContact O-N 2.92Å; E1164-K1168 HydrophobicContact CG-CD 4.29Å; E1164-K1168 WeakPolarHBondContact O-CG 3.42Å; E1164-K1168 PolarHBondContact O-N 2.97Å; E1164-K1168 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1168 IonicContact OE1-NZ 2.63Å; E1164-K1168 PolarHBondContact OE1-NZ 2.95Å; E1164-W1205 HydrophobicContact CB-CH2 3.94Å; E1164-W1205 HydrophobicContact CB-CZ3 4.43Å; E1164-W1205 HydrophobicContact CG-CH2 4.47Å; E1164-W1205 WeakPolarHBondContact OE2-CH2 3.49Å; E1164-W1205 VanDerWaalsContact OE2-CZ2 3.24Å; E1164-W1205 WeakPolarHBondContact OE2-CZ2 3.44Å; E1164-R1208 IonicContact OE1-CZ 3.93Å; E1164-R1208 IonicContact OE1-NH1 3.42Å; E1164-R1208 PolarHBondContact OE1-NH1 2.92Å; E1164-R1208 IonicContact OE1-NH2 2.64Å; E1164-R1208 PolarHBondContact OE1-NH2 2.72Å; E1164-R1208 IonicContact OE2-NH1 2.98Å; E1164-R1208 PolarHBondContact OE2-NH1 3.4Å |
| 1165 | A | 90.4 | Very high | 86 | Confident | 4 Ų | 4 | 33.2 Ų | 33.2 | 3% | 0.033 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L911 L912 L938 L1161 F1162 I1163 K1168 S1169 | L911-A1165 HydrophobicContact CD2-CB 4.2Å; L912-A1165 HydrophobicContact CD2-CB 3.78Å; L912-A1165 HydrophobicContact CG-CB 4.1Å; L938-A1165 HydrophobicContact CD1-CB 4.21Å; L1161-A1165 WeakPolarHBondContact O-CB 3.36Å; L1161-A1165 PolarHBondContact O-N 3.37Å; F1162-A1165 PolarHBondContact O-N 3.09Å; I1163-A1165 VanDerWaalsContact C-N 3.32Å; I1163-A1165 PolarHBondContact O-N 3.26Å; A1165-K1168 PolarHBondContact O-N 2.7Å; A1165-S1169 WeakPolarHBondContact O-CB 3.21Å; A1165-S1169 PolarHBondContact O-N 3.19Å; A1165-S1169 PolarHBondContact O-OG 3.44Å; A1165-S1169 VanDerWaalsContact O-OG 3.12Å |
| 1166 | C | 90.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.7 | -37 | 176.3 | -66.3 | 0 | 0 | 0 | 0 | 113.1 | L938 F1162 I1163 E1164 S1169 G1170 V1171 M1172 | L938-C1166 HydrophobicContact CD2-CB 4.4Å; L938-C1166 VanDerWaalsContact CD2-SG 3.58Å; F1162-C1166 PolarHBondContact O-N 3.31Å; F1162-C1166 PolarHBondContact O-SG 2.94Å; I1163-C1166 WeakPolarHBondContact O-CB 3.19Å; I1163-C1166 PolarHBondContact O-N 3.43Å; E1164-C1166 VanDerWaalsContact C-N 3.32Å; E1164-C1166 PolarHBondContact O-N 3.05Å; C1166-S1169 WeakPolarHBondContact CA-OG 3.42Å; C1166-S1169 PolarHBondContact O-OG 2.83Å; C1166-S1169 VanDerWaalsContact O-OG 3.11Å; C1166-G1170 PolarHBondContact O-N 2.84Å; C1166-V1171 PolarHBondContact O-N 3.31Å; C1166-M1172 HydrophobicContact CB-CB 3.91Å; C1166-M1172 HydrophobicContact CB-CE 3.4Å; C1166-M1172 PolarHBondContact O-N 3.2Å |
| 1167 | L | 88.4 | Confident | 84.8 | Confident | 58 Ų | 58 | 40 Ų | 40 | 30% | 0.304 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 175.4 | -68.7 | 171.4 | 0 | 0 | 0 | 110.6 | I1163 E1164 S1169 G1170 I1182 F1186 | I1163-L1167 HydrophobicContact CG2-CD1 4.12Å; I1163-L1167 HydrophobicContact CG2-CG 4.46Å; I1163-L1167 WeakPolarHBondContact O-CG 3.48Å; I1163-L1167 PolarHBondContact O-N 2.98Å; E1164-L1167 PolarHBondContact O-N 2.92Å; L1167-S1169 PolarHBondContact O-N 3.49Å; L1167-G1170 PolarHBondContact O-N 3.47Å; L1167-G1170 VanDerWaalsContact O-N 3.1Å; L1167-I1182 HydrophobicContact CD1-CD1 4.5Å; L1167-I1182 HydrophobicContact CD1-CG2 4.4Å; L1167-I1182 HydrophobicContact CD2-CD1 4.23Å; L1167-F1186 HydrophobicContact CD1-CE2 4.47Å; L1167-F1186 HydrophobicContact CD1-CZ 4.06Å |
| 1168 | K | 86.9 | Confident | 84.5 | Confident | 135 Ų | 135 | 39.4 Ų | 39.4 | 59% | 0.587 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -65.1 | -36.5 | 177.1 | -75.9 | -178.3 | -177.8 | 168.4 | 0 | 113.3 | E1164 A1165 G1170 | E1164-K1168 HydrophobicContact CG-CD 4.29Å; E1164-K1168 WeakPolarHBondContact O-CG 3.42Å; E1164-K1168 PolarHBondContact O-N 2.97Å; E1164-K1168 WeakPolarHBondContact OE1-CE 3.47Å; E1164-K1168 IonicContact OE1-NZ 2.63Å; E1164-K1168 PolarHBondContact OE1-NZ 2.95Å; A1165-K1168 PolarHBondContact O-N 2.7Å; K1168-G1170 PolarHBondContact O-N 3.15Å |
| 1169 | S | 84.3 | Confident | 84.2 | Confident | 34 Ų | 34 | 40.8 Ų | 40.8 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.4 | 175.2 | 65.5 | 0 | 0 | 0 | 0 | 113.1 | A1165 C1166 L1167 V1171 | A1165-S1169 WeakPolarHBondContact O-CB 3.21Å; A1165-S1169 PolarHBondContact O-N 3.19Å; A1165-S1169 PolarHBondContact O-OG 3.44Å; A1165-S1169 VanDerWaalsContact O-OG 3.12Å; C1166-S1169 WeakPolarHBondContact CA-OG 3.42Å; C1166-S1169 PolarHBondContact O-OG 2.83Å; C1166-S1169 VanDerWaalsContact O-OG 3.11Å; L1167-S1169 PolarHBondContact O-N 3.49Å; S1169-V1171 VanDerWaalsContact C-N 3.25Å; S1169-V1171 PolarHBondContact O-N 3.19Å; S1169-V1171 WeakPolarHBondContact OG-CG2 3.47Å |
| 1170 | G | 81.6 | Confident | 83.9 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 33% | 0.33 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 23.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R945 C1166 L1167 K1168 | R945-G1170 WeakPolarHBondContact CD-O 3.25Å; R945-G1170 PolarHBondContact NH1-O 3.26Å; C1166-G1170 PolarHBondContact O-N 2.84Å; L1167-G1170 PolarHBondContact O-N 3.47Å; L1167-G1170 VanDerWaalsContact O-N 3.1Å; K1168-G1170 PolarHBondContact O-N 3.15Å |
| 1171 | V | 83.4 | Confident | 83.7 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | trans | -92.9 | -24 | -178.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | F941 A942 F1140 C1166 S1169 | F941-V1171 HydrophobicContact CB-CG1 4.18Å; F941-V1171 HydrophobicContact CB-CG2 4.34Å; A942-V1171 HydrophobicContact CB-CG2 3.94Å; F1140-V1171 HydrophobicContact CD2-CG1 3.32Å; F1140-V1171 HydrophobicContact CE2-CB 4.46Å; F1140-V1171 HydrophobicContact CE2-CG1 3.12Å; F1140-V1171 HydrophobicContact CG-CG1 4.18Å; F1140-V1171 HydrophobicContact CZ-CG1 3.84Å; C1166-V1171 PolarHBondContact O-N 3.31Å; S1169-V1171 VanDerWaalsContact C-N 3.25Å; S1169-V1171 PolarHBondContact O-N 3.19Å; S1169-V1171 WeakPolarHBondContact OG-CG2 3.47Å | ||
| 1172 | M | 82.4 | Confident | 83.5 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 9% | 0.094 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -114.1 | 134.4 | 171.8 | -163.1 | 179.7 | -23.9 | 0 | 0 | 109.7 | F1140 I1163 C1166 | F1140-M1172 HydrophobicContact CB-CE 4.36Å; I1163-M1172 HydrophobicContact CG1-CE 4.36Å; C1166-M1172 HydrophobicContact CB-CB 3.91Å; C1166-M1172 HydrophobicContact CB-CE 3.4Å; C1166-M1172 PolarHBondContact O-N 3.2Å |
| 1173 | E | 77.4 | Confident | 83.3 | Confident | 103 Ų | 103 | 52.4 Ų | 52.4 | 48% | 0.481 | 29% | 0.286 | S | S | . | . | trans | -104.1 | 147.1 | 175.2 | -69.1 | -176.8 | 165.4 | 0 | 0 | 111.2 | R945 N1175 S1178 | R945-E1173 IonicContact CZ-OE1 3.36Å; R945-E1173 IonicContact NH1-OE1 2.78Å; R945-E1173 PolarHBondContact NH1-OE1 3.14Å; R945-E1173 IonicContact NH2-OE1 3.98Å; R945-E1173 PolarHBondContact NH2-OE1 2.91Å; R945-E1173 IonicContact NH2-OE2 2.9Å; E1173-N1175 PolarHBondContact O-N 2.73Å; E1173-N1175 VanDerWaalsContact O-N 3.08Å; E1173-S1178 PolarHBondContact O-OG 3.41Å | ||
| 1174 | A | 73.3 | Confident | 83.2 | Confident | 63 Ų | 63 | 54 Ų | 54 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | trans | -81.2 | 77.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1179 | A1174-N1179 WeakPolarHBondContact CA-OD1 3.11Å; A1174-N1179 VanDerWaalsContact CB-OD1 3.3Å; A1174-N1179 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 1175 | N | 77.4 | Confident | 83.1 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 47% | 0.465 | 30% | 0.296 | S | S | . | . | trans | -95.5 | 164.3 | 174.6 | -59.8 | -2.5 | 0 | 0 | 0 | 111.2 | E1173 S1177 S1178 N1179 | E1173-N1175 PolarHBondContact O-N 2.73Å; E1173-N1175 VanDerWaalsContact O-N 3.08Å; N1175-S1177 PolarHBondContact O-N 3.23Å; N1175-S1178 WeakPolarHBondContact CA-OG 3.15Å; N1175-S1178 PolarHBondContact N-OG 3.5Å; N1175-S1178 CarbonylContact O-C 3.56Å; N1175-S1178 PolarHBondContact O-N 2.77Å; N1175-S1178 PolarHBondContact O-OG 2.75Å; N1175-N1179 WeakPolarHBondContact O-CB 3.31Å; N1175-N1179 PolarHBondContact O-N 3.35Å; N1175-N1179 PolarHBondContact O-ND2 3.42Å; N1175-N1179 PolarHBondContact O-OD1 2.92Å | ||
| 1176 | D | 69.7 | Low | 83.2 | Confident | 144 Ų | 144 | 53.5 Ų | 53.5 | 77% | 0.77 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -53.4 | -32.6 | -176.1 | -69.4 | -18.8 | 0 | 0 | 0 | 115 | ||
| 1177 | S | 71.7 | Confident | 83.3 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -77.5 | -41 | 176.3 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | N1175 | N1175-S1177 PolarHBondContact O-N 3.23Å |
| 1178 | S | 80.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -72.8 | -32.1 | 176.3 | 41.3 | 0 | 0 | 0 | 0 | 113.3 | E1173 N1175 K1180 L1181 I1182 | E1173-S1178 PolarHBondContact O-OG 3.41Å; N1175-S1178 WeakPolarHBondContact CA-OG 3.15Å; N1175-S1178 PolarHBondContact N-OG 3.5Å; N1175-S1178 CarbonylContact O-C 3.56Å; N1175-S1178 PolarHBondContact O-N 2.77Å; N1175-S1178 PolarHBondContact O-OG 2.75Å; S1178-K1180 VanDerWaalsContact C-N 3.29Å; S1178-K1180 PolarHBondContact O-N 3.39Å; S1178-L1181 PolarHBondContact O-N 3.15Å; S1178-L1181 VanDerWaalsContact O-N 3.09Å; S1178-I1182 WeakPolarHBondContact O-CB 3.18Å; S1178-I1182 WeakPolarHBondContact O-CD1 3.41Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.33Å; S1178-I1182 PolarHBondContact O-N 3.44Å |
| 1179 | N | 83.2 | Confident | 83.5 | Confident | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.241 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 180 | -72.4 | -16.8 | 0 | 0 | 0 | 111.1 | A1174 N1175 L1181 I1182 E1183 | A1174-N1179 WeakPolarHBondContact CA-OD1 3.11Å; A1174-N1179 VanDerWaalsContact CB-OD1 3.3Å; A1174-N1179 WeakPolarHBondContact CB-OD1 3.39Å; N1175-N1179 WeakPolarHBondContact O-CB 3.31Å; N1175-N1179 PolarHBondContact O-N 3.35Å; N1175-N1179 PolarHBondContact O-ND2 3.42Å; N1175-N1179 PolarHBondContact O-OD1 2.92Å; N1179-L1181 VanDerWaalsContact C-N 3.32Å; N1179-L1181 PolarHBondContact O-N 2.91Å; N1179-I1182 PolarHBondContact O-N 3.46Å; N1179-E1183 VanDerWaalsContact O-CB 3.31Å; N1179-E1183 WeakPolarHBondContact O-CB 3.49Å; N1179-E1183 WeakPolarHBondContact O-CG 3.31Å; N1179-E1183 PolarHBondContact O-N 2.84Å |
| 1180 | K | 85 | Confident | 83.9 | Confident | 160 Ų | 160 | 45.1 Ų | 45.1 | 70% | 0.696 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.4 | -42.5 | 174.5 | -66.7 | -177.4 | -178.7 | -179.1 | 0 | 113 | S1178 A1184 | S1178-K1180 VanDerWaalsContact C-N 3.29Å; S1178-K1180 PolarHBondContact O-N 3.39Å; K1180-A1184 WeakPolarHBondContact O-CB 3.47Å; K1180-A1184 PolarHBondContact O-N 3.07Å; K1180-A1184 VanDerWaalsContact O-N 3.13Å |
| 1181 | L | 86.5 | Confident | 84.3 | Confident | 14 Ų | 14 | 49.3 Ų | 49.3 | 7% | 0.073 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.7 | -43.5 | 178 | 178.4 | 66 | 0 | 0 | 0 | 111.3 | Y1141 E1145 H1148 I1163 S1178 N1179 A1184 A1185 | Y1141-L1181 HydrophobicContact CD2-CD2 3.93Å; Y1141-L1181 HydrophobicContact CE2-CB 4.21Å; Y1141-L1181 HydrophobicContact CE2-CD2 3.71Å; E1145-L1181 HydrophobicContact CB-CD1 4.46Å; E1145-L1181 HydrophobicContact CB-CD2 4.23Å; H1148-L1181 HydrophobicContact CB-CD1 4.14Å; I1163-L1181 HydrophobicContact CD1-CG 4.37Å; S1178-L1181 PolarHBondContact O-N 3.15Å; S1178-L1181 VanDerWaalsContact O-N 3.09Å; N1179-L1181 VanDerWaalsContact C-N 3.32Å; N1179-L1181 PolarHBondContact O-N 2.91Å; L1181-A1184 PolarHBondContact O-N 2.7Å; L1181-A1185 VanDerWaalsContact O-CB 3.24Å; L1181-A1185 WeakPolarHBondContact O-CB 3.25Å; L1181-A1185 PolarHBondContact O-N 3.26Å |
| 1182 | I | 87.1 | Confident | 84.5 | Confident | 13 Ų | 13 | 49.6 Ų | 49.6 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -52.4 | 179.5 | -66.2 | 163 | 0 | 0 | 0 | 110 | I1163 L1167 S1178 N1179 A1184 A1185 F1186 | I1163-I1182 HydrophobicContact CG2-CB 4.44Å; I1163-I1182 HydrophobicContact CG2-CG1 3.77Å; I1163-I1182 HydrophobicContact CG2-CG2 4.34Å; L1167-I1182 HydrophobicContact CD1-CD1 4.5Å; L1167-I1182 HydrophobicContact CD1-CG2 4.4Å; L1167-I1182 HydrophobicContact CD2-CD1 4.23Å; S1178-I1182 WeakPolarHBondContact O-CB 3.18Å; S1178-I1182 WeakPolarHBondContact O-CD1 3.41Å; S1178-I1182 WeakPolarHBondContact O-CG1 3.33Å; S1178-I1182 PolarHBondContact O-N 3.44Å; N1179-I1182 PolarHBondContact O-N 3.46Å; I1182-A1184 PolarHBondContact O-N 2.92Å; I1182-A1185 PolarHBondContact O-N 2.83Å; I1182-F1186 HydrophobicContact CG2-CD2 3.76Å; I1182-F1186 HydrophobicContact CG2-CE1 4.32Å; I1182-F1186 HydrophobicContact CG2-CE2 3.39Å; I1182-F1186 HydrophobicContact CG2-CG 4.41Å; I1182-F1186 HydrophobicContact CG2-CZ 3.72Å; I1182-F1186 WeakPolarHBondContact O-CB 3.38Å; I1182-F1186 VanDerWaalsContact O-CG 3.23Å; I1182-F1186 WeakPolarHBondContact O-CG 3.46Å; I1182-F1186 PolarHBondContact O-N 2.9Å |
| 1183 | E | 88.9 | Confident | 84.8 | Confident | 60 Ų | 60 | 48.7 Ų | 48.7 | 28% | 0.28 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -45.4 | 179.1 | -68.9 | 177 | -173.4 | 0 | 0 | 111.3 | N1179 L1187 A1209 A1212 | N1179-E1183 VanDerWaalsContact O-CB 3.31Å; N1179-E1183 WeakPolarHBondContact O-CB 3.49Å; N1179-E1183 WeakPolarHBondContact O-CG 3.31Å; N1179-E1183 PolarHBondContact O-N 2.84Å; E1183-L1187 WeakPolarHBondContact O-CB 3.35Å; E1183-L1187 PolarHBondContact O-N 2.62Å; E1183-A1209 WeakPolarHBondContact CG-O 3.37Å; E1183-A1212 HydrophobicContact CB-CB 4.09Å |
| 1184 | A | 88.9 | Confident | 85.3 | Confident | 34 Ų | 34 | 48.6 Ų | 48.6 | 28% | 0.281 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1180 L1181 I1182 L1187 D1188 | K1180-A1184 WeakPolarHBondContact O-CB 3.47Å; K1180-A1184 PolarHBondContact O-N 3.07Å; K1180-A1184 VanDerWaalsContact O-N 3.13Å; L1181-A1184 PolarHBondContact O-N 2.7Å; I1182-A1184 PolarHBondContact O-N 2.92Å; A1184-L1187 PolarHBondContact O-N 2.89Å; A1184-D1188 PolarHBondContact O-N 2.89Å |
| 1185 | A | 89.1 | Confident | 86 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1163 L1181 I1182 Y1189 | I1163-A1185 HydrophobicContact CD1-CB 3.67Å; L1181-A1185 VanDerWaalsContact O-CB 3.24Å; L1181-A1185 WeakPolarHBondContact O-CB 3.25Å; L1181-A1185 PolarHBondContact O-N 3.26Å; I1182-A1185 PolarHBondContact O-N 2.83Å; A1185-Y1189 WeakPolarHBondContact O-CB 3.44Å; A1185-Y1189 PolarHBondContact O-N 2.95Å |
| 1186 | F | 92.6 | Very high | 86.4 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 4% | 0.044 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.5 | -38.5 | 178.2 | -68 | -2.8 | 0 | 0 | 0 | 111.7 | A1160 I1163 L1167 I1182 Y1189 A1190 W1205 R1208 A1209 | A1160-F1186 HydrophobicContact CB-CD1 3.99Å; A1160-F1186 HydrophobicContact CB-CE1 4.39Å; I1163-F1186 HydrophobicContact CB-CE1 4.09Å; I1163-F1186 HydrophobicContact CG2-CE1 3.78Å; I1163-F1186 HydrophobicContact CG2-CZ 3.89Å; L1167-F1186 HydrophobicContact CD1-CE2 4.47Å; L1167-F1186 HydrophobicContact CD1-CZ 4.06Å; I1182-F1186 HydrophobicContact CG2-CD2 3.76Å; I1182-F1186 HydrophobicContact CG2-CE1 4.32Å; I1182-F1186 HydrophobicContact CG2-CE2 3.39Å; I1182-F1186 HydrophobicContact CG2-CG 4.41Å; I1182-F1186 HydrophobicContact CG2-CZ 3.72Å; I1182-F1186 WeakPolarHBondContact O-CB 3.38Å; I1182-F1186 VanDerWaalsContact O-CG 3.23Å; I1182-F1186 WeakPolarHBondContact O-CG 3.46Å; I1182-F1186 PolarHBondContact O-N 2.9Å; F1186-Y1189 PolarHBondContact O-N 3.16Å; F1186-A1190 WeakPolarHBondContact O-CB 3.33Å; F1186-A1190 PolarHBondContact O-N 3.12Å; F1186-W1205 HydrophobicContact CB-CE3 4.15Å; F1186-W1205 AromaticContact CD1-CE3 3.73Å; F1186-W1205 HydrophobicContact CD1-CE3 3.73Å; F1186-W1205 AromaticContact CD1-CZ3 3.46Å; F1186-W1205 HydrophobicContact CD1-CZ3 3.46Å; F1186-W1205 VanDerWaalsContact CD1-CZ3 3.46Å; F1186-W1205 HydrophobicContact CD2-CE3 4.39Å; F1186-W1205 HydrophobicContact CD2-CZ3 4.46Å; F1186-W1205 HydrophobicContact CE1-CE3 4.21Å; F1186-W1205 HydrophobicContact CE1-CH2 4.48Å; F1186-W1205 AromaticContact CE1-CZ3 3.49Å; F1186-W1205 HydrophobicContact CE1-CZ3 3.49Å; F1186-W1205 VanDerWaalsContact CE1-CZ3 3.49Å; F1186-W1205 HydrophobicContact CE2-CZ3 4.46Å; F1186-W1205 AromaticContact CG-CE3 3.83Å; F1186-W1205 HydrophobicContact CG-CE3 3.83Å; F1186-W1205 AromaticContact CG-CZ3 3.98Å; F1186-W1205 HydrophobicContact CG-CZ3 3.98Å; F1186-W1205 AromaticContact CZ-CZ3 3.99Å; F1186-W1205 HydrophobicContact CZ-CZ3 3.99Å; F1186-R1208 HydrophobicContact CD2-CB 3.78Å; F1186-R1208 HydrophobicContact CE2-CB 4.18Å; F1186-A1209 HydrophobicContact CB-CB 3.9Å |
| 1187 | L | 91.4 | Very high | 87.2 | Confident | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.3 | -45.6 | 176.1 | -178.3 | 60 | 0 | 0 | 0 | 112.3 | E1183 A1184 Y1189 A1190 R1191 A1209 A1212 L1216 | E1183-L1187 WeakPolarHBondContact O-CB 3.35Å; E1183-L1187 PolarHBondContact O-N 2.62Å; A1184-L1187 PolarHBondContact O-N 2.89Å; L1187-Y1189 VanDerWaalsContact C-N 3.32Å; L1187-Y1189 PolarHBondContact O-N 3.49Å; L1187-A1190 WeakPolarHBondContact O-CB 3.46Å; L1187-A1190 PolarHBondContact O-N 3.3Å; L1187-R1191 VanDerWaalsContact CG-CZ 3.49Å; L1187-R1191 WeakPolarHBondContact O-CG 3.35Å; L1187-R1191 PolarHBondContact O-N 3.5Å; L1187-A1209 HydrophobicContact CB-CB 4.12Å; L1187-A1212 WeakPolarHBondContact CD1-O 3.35Å; L1187-A1212 HydrophobicContact CD2-CB 3.95Å; L1187-A1212 VanDerWaalsContact CD2-O 3.24Å; L1187-A1212 WeakPolarHBondContact CD2-O 3.08Å; L1187-L1216 HydrophobicContact CD1-CB 4.14Å; L1187-L1216 HydrophobicContact CD1-CD2 3.91Å |
| 1188 | D | 89.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 34.2 Ų | 34.2 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | 177.9 | -74.1 | -29.7 | 0 | 0 | 0 | 112.1 | H1148 F1156 A1184 R1191 L1192 | H1148-D1188 IonicContact CD2-OD2 2.73Å; H1148-D1188 IonicContact CE1-OD2 3.26Å; H1148-D1188 IonicContact NE2-OD2 3.66Å; H1148-D1188 PolarHBondContact NE2-OD2 2.88Å; F1156-D1188 HydrophobicContact CD1-CB 3.51Å; F1156-D1188 HydrophobicContact CE1-CB 3.74Å; F1156-D1188 HydrophobicContact CG-CB 4.04Å; F1156-D1188 HydrophobicContact CZ-CB 4.44Å; A1184-D1188 PolarHBondContact O-N 2.89Å; D1188-R1191 PolarHBondContact O-N 2.89Å; D1188-R1191 IonicContact OD1-CZ 3.38Å; D1188-R1191 IonicContact OD1-NH1 3.99Å; D1188-R1191 PolarHBondContact OD1-NH1 2.95Å; D1188-L1192 PolarHBondContact O-N 3.47Å |
| 1189 | Y | 91.1 | Very high | 88.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -40.3 | 172.1 | -173.7 | -141 | 0 | 0 | 0 | 112 | L863 D1157 A1160 A1185 F1186 L1187 R1191 L1192 L1193 W1205 | L863-Y1189 HydrophobicContact CD2-CE1 4.07Å; D1157-Y1189 HydrophobicContact CB-CD2 3.77Å; D1157-Y1189 HydrophobicContact CB-CE2 3.32Å; A1160-Y1189 HydrophobicContact CB-CD1 3.52Å; A1160-Y1189 HydrophobicContact CB-CE1 4.38Å; A1160-Y1189 HydrophobicContact CB-CG 3.78Å; A1185-Y1189 WeakPolarHBondContact O-CB 3.44Å; A1185-Y1189 PolarHBondContact O-N 2.95Å; F1186-Y1189 PolarHBondContact O-N 3.16Å; L1187-Y1189 VanDerWaalsContact C-N 3.32Å; L1187-Y1189 PolarHBondContact O-N 3.49Å; Y1189-R1191 VanDerWaalsContact C-N 3.33Å; Y1189-R1191 PolarHBondContact O-N 2.89Å; Y1189-L1192 HydrophobicContact CD2-CB 4.5Å; Y1189-L1192 HydrophobicContact CD2-CD2 4.21Å; Y1189-L1192 HydrophobicContact CE2-CD2 4.46Å; Y1189-L1192 WeakPolarHBondContact O-CB 3.36Å; Y1189-L1192 PolarHBondContact O-N 2.87Å; Y1189-L1192 VanDerWaalsContact O-N 3.15Å; Y1189-L1193 HydrophobicContact CD1-CD1 4.31Å; Y1189-L1193 HydrophobicContact CD2-CG 4.24Å; Y1189-L1193 HydrophobicContact CE1-CD1 4.04Å; Y1189-L1193 HydrophobicContact CE2-CD1 4.23Å; Y1189-L1193 HydrophobicContact CE2-CD2 3.91Å; Y1189-L1193 HydrophobicContact CE2-CG 3.94Å; Y1189-L1193 WeakPolarHBondContact O-CG 3.4Å; Y1189-L1193 PolarHBondContact O-N 2.72Å; Y1189-W1205 AromaticContact CD1-CD1 3.95Å; Y1189-W1205 AromaticContact CD1-CD2 3.55Å; Y1189-W1205 HydrophobicContact CD1-CD2 3.55Å; Y1189-W1205 AromaticContact CD1-CE2 3.56Å; Y1189-W1205 HydrophobicContact CD1-CE3 4.02Å; Y1189-W1205 AromaticContact CD1-CG 3.81Å; Y1189-W1205 HydrophobicContact CD1-CG 3.81Å; Y1189-W1205 HydrophobicContact CD1-CH2 4.37Å; Y1189-W1205 AromaticContact CD1-CZ2 3.99Å; Y1189-W1205 HydrophobicContact CD1-CZ2 3.99Å; Y1189-W1205 HydrophobicContact CD1-CZ3 4.41Å; Y1189-W1205 AromaticContact CD1-NE1 3.83Å; Y1189-W1205 AromaticContact CE1-CD1 3.89Å; Y1189-W1205 AromaticContact CE1-CD2 3.93Å; Y1189-W1205 HydrophobicContact CE1-CD2 3.93Å; Y1189-W1205 AromaticContact CE1-CE2 3.41Å; Y1189-W1205 VanDerWaalsContact CE1-CE2 3.41Å; Y1189-W1205 HydrophobicContact CE1-CG 4.19Å; Y1189-W1205 HydrophobicContact CE1-CH2 4.42Å; Y1189-W1205 AromaticContact CE1-CZ2 3.7Å; Y1189-W1205 HydrophobicContact CE1-CZ2 3.7Å; Y1189-W1205 AromaticContact CE1-NE1 3.43Å |
| 1190 | A | 90.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.6 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1186 L1187 L1192 L1193 R1194 A1202 W1205 A1206 L1216 | F1186-A1190 WeakPolarHBondContact O-CB 3.33Å; F1186-A1190 PolarHBondContact O-N 3.12Å; L1187-A1190 WeakPolarHBondContact O-CB 3.46Å; L1187-A1190 PolarHBondContact O-N 3.3Å; A1190-L1192 VanDerWaalsContact C-N 3.35Å; A1190-L1192 PolarHBondContact O-N 3.11Å; A1190-L1193 PolarHBondContact O-N 3.01Å; A1190-R1194 PolarHBondContact O-N 2.81Å; A1190-A1202 WeakPolarHBondContact CB-O 3.44Å; A1190-A1202 WeakPolarHBondContact O-CB 3.24Å; A1190-W1205 HydrophobicContact CB-CB 3.87Å; A1190-A1206 HydrophobicContact CB-CB 4.08Å; A1190-L1216 HydrophobicContact CB-CD2 3.56Å |
| 1191 | R | 90.4 | Very high | 88.4 | Confident | 121 Ų | 121 | 29.3 Ų | 29.3 | 46% | 0.457 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -62 | -40.6 | 173.1 | -70.6 | 174.2 | -176.5 | 134.9 | -1.3 | 112.1 | L1187 D1188 Y1189 R1194 S1195 L1216 | L1187-R1191 VanDerWaalsContact CG-CZ 3.49Å; L1187-R1191 WeakPolarHBondContact O-CG 3.35Å; L1187-R1191 PolarHBondContact O-N 3.5Å; D1188-R1191 PolarHBondContact O-N 2.89Å; D1188-R1191 IonicContact OD1-CZ 3.38Å; D1188-R1191 IonicContact OD1-NH1 3.99Å; D1188-R1191 PolarHBondContact OD1-NH1 2.95Å; Y1189-R1191 VanDerWaalsContact C-N 3.33Å; Y1189-R1191 PolarHBondContact O-N 2.89Å; R1191-R1194 PolarHBondContact O-N 3.22Å; R1191-S1195 PolarHBondContact O-N 3.07Å; R1191-L1216 HydrophobicContact CG-CD2 4.04Å |
| 1192 | L | 88.1 | Confident | 88.5 | Confident | 33 Ų | 33 | 28.7 Ų | 28.7 | 17% | 0.173 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.6 | -43.2 | 175 | -179.3 | 65.4 | 0 | 0 | 0 | 111.7 | F1156 D1188 Y1189 A1190 R1194 S1195 L1196 | F1156-L1192 HydrophobicContact CB-CD2 4.38Å; D1188-L1192 PolarHBondContact O-N 3.47Å; Y1189-L1192 HydrophobicContact CD2-CB 4.5Å; Y1189-L1192 HydrophobicContact CD2-CD2 4.21Å; Y1189-L1192 HydrophobicContact CE2-CD2 4.46Å; Y1189-L1192 WeakPolarHBondContact O-CB 3.36Å; Y1189-L1192 PolarHBondContact O-N 2.87Å; Y1189-L1192 VanDerWaalsContact O-N 3.15Å; A1190-L1192 VanDerWaalsContact C-N 3.35Å; A1190-L1192 PolarHBondContact O-N 3.11Å; L1192-R1194 VanDerWaalsContact C-N 3.33Å; L1192-R1194 PolarHBondContact O-N 3.39Å; L1192-S1195 PolarHBondContact O-N 2.75Å; L1192-S1195 PolarHBondContact O-OG 3.06Å; L1192-L1196 WeakPolarHBondContact O-CG 3.25Å; L1192-L1196 PolarHBondContact O-N 2.93Å |
| 1193 | L | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -38.6 | 177.4 | -67.1 | 174.6 | 0 | 0 | 0 | 112 | A859 L863 Y1189 A1190 L1196 G1197 L1198 A1202 W1205 | A859-L1193 HydrophobicContact CB-CD2 3.94Å; L863-L1193 HydrophobicContact CD1-CD1 3.75Å; L863-L1193 HydrophobicContact CD1-CD2 3.66Å; L863-L1193 HydrophobicContact CD1-CG 4.37Å; L863-L1193 HydrophobicContact CD2-CD1 4.49Å; Y1189-L1193 HydrophobicContact CD1-CD1 4.31Å; Y1189-L1193 HydrophobicContact CD2-CG 4.24Å; Y1189-L1193 HydrophobicContact CE1-CD1 4.04Å; Y1189-L1193 HydrophobicContact CE2-CD1 4.23Å; Y1189-L1193 HydrophobicContact CE2-CD2 3.91Å; Y1189-L1193 HydrophobicContact CE2-CG 3.94Å; Y1189-L1193 WeakPolarHBondContact O-CG 3.4Å; Y1189-L1193 PolarHBondContact O-N 2.72Å; A1190-L1193 PolarHBondContact O-N 3.01Å; L1193-L1196 PolarHBondContact O-N 2.95Å; L1193-G1197 PolarHBondContact O-N 2.85Å; L1193-G1197 VanDerWaalsContact O-N 3.07Å; L1193-L1198 HydrophobicContact CD2-CD1 4.07Å; L1193-L1198 PolarHBondContact O-N 3.44Å; L1193-A1202 HydrophobicContact CB-CB 4.05Å; L1193-W1205 VanDerWaalsContact CD1-CD1 3.49Å; L1193-W1205 HydrophobicContact CD1-CG 4.27Å |
| 1194 | R | 89 | Confident | 88.6 | Confident | 102 Ų | 102 | 29.2 Ų | 29.2 | 39% | 0.385 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.6 | -44.4 | 172.4 | -180 | -179 | 174.5 | -165.6 | 3.5 | 111.5 | A1190 R1191 L1192 L1196 G1197 A1202 E1219 L1220 | A1190-R1194 PolarHBondContact O-N 2.81Å; R1191-R1194 PolarHBondContact O-N 3.22Å; L1192-R1194 VanDerWaalsContact C-N 3.33Å; L1192-R1194 PolarHBondContact O-N 3.39Å; R1194-L1196 VanDerWaalsContact C-N 3.27Å; R1194-L1196 PolarHBondContact O-N 3.27Å; R1194-G1197 PolarHBondContact O-N 3.07Å; R1194-A1202 HydrophobicContact CB-CB 4.03Å; R1194-E1219 IonicContact CZ-OE2 3.34Å; R1194-E1219 VanDerWaalsContact CZ-OE2 3.26Å; R1194-E1219 IonicContact NH1-OE2 2.61Å; R1194-E1219 PolarHBondContact NH1-OE2 3.45Å; R1194-E1219 IonicContact NH2-OE2 3.25Å; R1194-E1219 PolarHBondContact NH2-OE2 2.81Å; R1194-L1220 HydrophobicContact CB-CD2 4.36Å; R1194-L1220 HydrophobicContact CG-CD2 3.9Å |
| 1195 | S | 87.6 | Confident | 88.6 | Confident | 54 Ų | 54 | 27.6 Ų | 27.6 | 38% | 0.378 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -68.1 | -26.8 | 179 | 74.2 | 0 | 0 | 0 | 0 | 113 | R852 R1191 L1192 G1197 | R852-S1195 VanDerWaalsContact CZ-O 3.26Å; R852-S1195 PolarHBondContact NH2-O 3.06Å; R1191-S1195 PolarHBondContact O-N 3.07Å; L1192-S1195 PolarHBondContact O-N 2.75Å; L1192-S1195 PolarHBondContact O-OG 3.06Å; S1195-G1197 VanDerWaalsContact C-N 3.34Å |
| 1196 | L | 85.5 | Confident | 88.7 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.6 | -26.1 | 169.8 | -68.3 | 175.2 | 0 | 0 | 0 | 112.4 | L78 R852 L855 Y879 L1192 L1193 R1194 | L78-L1196 HydrophobicContact CD2-CD2 4.44Å; R852-L1196 HydrophobicContact CG-CD2 4.01Å; R852-L1196 PolarHBondContact NE-O 3.03Å; R852-L1196 VanDerWaalsContact NE-O 3.13Å; R852-L1196 PolarHBondContact NH2-O 2.84Å; L855-L1196 HydrophobicContact CB-CD1 4.34Å; L855-L1196 HydrophobicContact CB-CD2 3.98Å; L855-L1196 HydrophobicContact CD1-CD2 4.44Å; Y879-L1196 WeakPolarHBondContact CE2-O 3.48Å; L1192-L1196 WeakPolarHBondContact O-CG 3.25Å; L1192-L1196 PolarHBondContact O-N 2.93Å; L1193-L1196 PolarHBondContact O-N 2.95Å; R1194-L1196 VanDerWaalsContact C-N 3.27Å; R1194-L1196 PolarHBondContact O-N 3.27Å |
| 1197 | G | 85.4 | Confident | 88.6 | Confident | 10 Ų | 10 | 30.6 Ų | 30.6 | 10% | 0.103 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104 | 9.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y879 N880 L1193 R1194 S1195 R1199 | Y879-G1197 WeakPolarHBondContact CA-O 3.47Å; Y879-G1197 WeakPolarHBondContact CD2-O 3.32Å; N880-G1197 PolarHBondContact N-O 2.61Å; N880-G1197 VanDerWaalsContact N-O 3.08Å; L1193-G1197 PolarHBondContact O-N 2.85Å; L1193-G1197 VanDerWaalsContact O-N 3.07Å; R1194-G1197 PolarHBondContact O-N 3.07Å; S1195-G1197 VanDerWaalsContact C-N 3.34Å; G1197-R1199 PolarHBondContact O-N 3.05Å |
| 1198 | L | 86.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -89.5 | 91.8 | 179.3 | -68.3 | 170.4 | 0 | 0 | 0 | 110.2 | T856 A859 W866 V877 Y879 L1193 A1202 | T856-L1198 HydrophobicContact CG2-CD1 4.1Å; T856-L1198 HydrophobicContact CG2-CD2 4.02Å; T856-L1198 HydrophobicContact CG2-CG 4.13Å; A859-L1198 HydrophobicContact CB-CD1 3.72Å; W866-L1198 HydrophobicContact CH2-CB 4.35Å; W866-L1198 HydrophobicContact CH2-CD1 4.22Å; W866-L1198 HydrophobicContact CH2-CD2 4.06Å; W866-L1198 HydrophobicContact CH2-CG 4.45Å; V877-L1198 HydrophobicContact CG1-CD2 4.35Å; Y879-L1198 HydrophobicContact CD2-CD2 3.84Å; Y879-L1198 HydrophobicContact CD2-CG 4.27Å; Y879-L1198 HydrophobicContact CE2-CD2 4.49Å; Y879-L1198 HydrophobicContact CG-CD2 4.29Å; L1193-L1198 HydrophobicContact CD2-CD1 4.07Å; L1193-L1198 PolarHBondContact O-N 3.44Å; L1198-A1202 WeakPolarHBondContact O-CB 3.37Å; L1198-A1202 PolarHBondContact O-N 3.12Å |
| 1199 | R | 87.1 | Confident | 88.3 | Confident | 54 Ų | 54 | 33 Ų | 33 | 20% | 0.204 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.3 | -47.4 | -171.6 | -166.4 | -179.9 | -177.9 | -162.2 | -4.9 | 112.8 | D878 G1197 G1201 A1202 A1203 L1220 E1224 | D878-R1199 PolarHBondContact O-N 3.25Å; D878-R1199 VanDerWaalsContact OD2-CD 3.29Å; D878-R1199 WeakPolarHBondContact OD2-CD 3.29Å; D878-R1199 IonicContact OD2-NH1 3.4Å; G1197-R1199 PolarHBondContact O-N 3.05Å; R1199-G1201 VanDerWaalsContact C-N 3.32Å; R1199-G1201 PolarHBondContact O-N 3.13Å; R1199-A1202 PolarHBondContact O-N 3.47Å; R1199-A1203 PolarHBondContact O-N 3.01Å; R1199-L1220 HydrophobicContact CG-CD2 4.2Å; R1199-L1220 PolarHBondContact NE-O 2.85Å; R1199-L1220 PolarHBondContact NH2-O 3.2Å; R1199-E1224 IonicContact NH2-OE1 3.39Å |
| 1200 | E | 86.1 | Confident | 88 | Confident | 52 Ų | 52 | 34.6 Ų | 34.6 | 24% | 0.243 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -57 | -44.5 | 177 | -78 | 174.4 | -134.4 | 0 | 0 | 112.1 | W866 S867 D878 A1203 L1204 | W866-E1200 HydrophobicContact CE3-CB 4.02Å; W866-E1200 HydrophobicContact CZ3-CB 3.93Å; S867-E1200 PolarHBondContact OG-OE2 3.4Å; D878-E1200 HydrophobicContact CB-CG 4.1Å; D878-E1200 WeakPolarHBondContact CB-OE1 3.46Å; D878-E1200 PolarHBondContact N-OE1 2.92Å; E1200-A1203 PolarHBondContact O-N 2.87Å; E1200-L1204 PolarHBondContact O-N 2.79Å |
| 1201 | G | 86.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.6 | -43.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | R1199 A1203 L1204 W1205 | R1199-G1201 VanDerWaalsContact C-N 3.32Å; R1199-G1201 PolarHBondContact O-N 3.13Å; G1201-A1203 VanDerWaalsContact C-N 3.34Å; G1201-A1203 PolarHBondContact O-N 3.38Å; G1201-L1204 PolarHBondContact O-N 2.83Å; G1201-W1205 VanDerWaalsContact O-CD1 3.29Å; G1201-W1205 PolarHBondContact O-N 2.82Å; G1201-W1205 VanDerWaalsContact O-N 3.14Å |
| 1202 | A | 89.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1190 L1193 R1194 L1198 R1199 W1205 A1206 L1220 | A1190-A1202 WeakPolarHBondContact CB-O 3.44Å; A1190-A1202 WeakPolarHBondContact O-CB 3.24Å; L1193-A1202 HydrophobicContact CB-CB 4.05Å; R1194-A1202 HydrophobicContact CB-CB 4.03Å; L1198-A1202 WeakPolarHBondContact O-CB 3.37Å; L1198-A1202 PolarHBondContact O-N 3.12Å; R1199-A1202 PolarHBondContact O-N 3.47Å; A1202-W1205 PolarHBondContact O-N 2.86Å; A1202-A1206 WeakPolarHBondContact O-CB 3.25Å; A1202-A1206 PolarHBondContact O-N 2.9Å; A1202-L1220 HydrophobicContact CB-CD1 3.86Å; A1202-L1220 HydrophobicContact CB-CD2 4.29Å |
| 1203 | A | 88.7 | Confident | 87 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 11% | 0.107 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1199 E1200 G1201 W1205 A1206 S1207 M1217 L1220 F1221 | R1199-A1203 PolarHBondContact O-N 3.01Å; E1200-A1203 PolarHBondContact O-N 2.87Å; G1201-A1203 VanDerWaalsContact C-N 3.34Å; G1201-A1203 PolarHBondContact O-N 3.38Å; A1203-W1205 PolarHBondContact O-N 2.8Å; A1203-A1206 PolarHBondContact O-N 3.1Å; A1203-S1207 WeakPolarHBondContact O-CB 3.49Å; A1203-S1207 PolarHBondContact O-N 2.82Å; A1203-M1217 HydrophobicContact CB-CE 4.49Å; A1203-M1217 HydrophobicContact CB-SD 3.92Å; A1203-M1217 VanDerWaalsContact O-SD 3.4Å; A1203-L1220 HydrophobicContact CB-CD1 4.35Å; A1203-F1221 HydrophobicContact CB-CE2 4.17Å; A1203-F1221 HydrophobicContact CB-CZ 4.2Å |
| 1204 | L | 88.9 | Confident | 87 | Confident | 71 Ų | 71 | 38.6 Ų | 38.6 | 37% | 0.372 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -50.4 | 176.6 | 179.2 | 67.5 | 0 | 0 | 0 | 111.5 | E1200 G1201 S1207 R1208 | E1200-L1204 PolarHBondContact O-N 2.79Å; G1201-L1204 PolarHBondContact O-N 2.83Å; L1204-S1207 PolarHBondContact O-N 2.95Å; L1204-S1207 PolarHBondContact O-OG 2.9Å; L1204-R1208 WeakPolarHBondContact O-CG 3.43Å; L1204-R1208 PolarHBondContact O-N 3.42Å |
| 1205 | W | 90.1 | Very high | 86.8 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -74 | -32.2 | -178.1 | -75 | 96.3 | 0 | 0 | 0 | 113.3 | L863 A1160 L1161 E1164 F1186 Y1189 A1190 L1193 G1201 A1202 A1203 R1208 A1209 | L863-W1205 HydrophobicContact CD2-CZ2 4.33Å; A1160-W1205 HydrophobicContact CB-CE3 4.32Å; A1160-W1205 HydrophobicContact CB-CH2 4.16Å; A1160-W1205 HydrophobicContact CB-CZ3 3.89Å; L1161-W1205 HydrophobicContact CD2-CH2 4.28Å; L1161-W1205 HydrophobicContact CD2-CZ2 3.87Å; E1164-W1205 HydrophobicContact CB-CH2 3.94Å; E1164-W1205 HydrophobicContact CB-CZ3 4.43Å; E1164-W1205 HydrophobicContact CG-CH2 4.47Å; E1164-W1205 WeakPolarHBondContact OE2-CH2 3.49Å; E1164-W1205 VanDerWaalsContact OE2-CZ2 3.24Å; E1164-W1205 WeakPolarHBondContact OE2-CZ2 3.44Å; F1186-W1205 HydrophobicContact CB-CE3 4.15Å; F1186-W1205 AromaticContact CD1-CE3 3.73Å; F1186-W1205 HydrophobicContact CD1-CE3 3.73Å; F1186-W1205 AromaticContact CD1-CZ3 3.46Å; F1186-W1205 HydrophobicContact CD1-CZ3 3.46Å; F1186-W1205 VanDerWaalsContact CD1-CZ3 3.46Å; F1186-W1205 HydrophobicContact CD2-CE3 4.39Å; F1186-W1205 HydrophobicContact CD2-CZ3 4.46Å; F1186-W1205 HydrophobicContact CE1-CE3 4.21Å; F1186-W1205 HydrophobicContact CE1-CH2 4.48Å; F1186-W1205 AromaticContact CE1-CZ3 3.49Å; F1186-W1205 HydrophobicContact CE1-CZ3 3.49Å; F1186-W1205 VanDerWaalsContact CE1-CZ3 3.49Å; F1186-W1205 HydrophobicContact CE2-CZ3 4.46Å; F1186-W1205 AromaticContact CG-CE3 3.83Å; F1186-W1205 HydrophobicContact CG-CE3 3.83Å; F1186-W1205 AromaticContact CG-CZ3 3.98Å; F1186-W1205 HydrophobicContact CG-CZ3 3.98Å; F1186-W1205 AromaticContact CZ-CZ3 3.99Å; F1186-W1205 HydrophobicContact CZ-CZ3 3.99Å; Y1189-W1205 AromaticContact CD1-CD1 3.95Å; Y1189-W1205 AromaticContact CD1-CD2 3.55Å; Y1189-W1205 HydrophobicContact CD1-CD2 3.55Å; Y1189-W1205 AromaticContact CD1-CE2 3.56Å; Y1189-W1205 HydrophobicContact CD1-CE3 4.02Å; Y1189-W1205 AromaticContact CD1-CG 3.81Å; Y1189-W1205 HydrophobicContact CD1-CG 3.81Å; Y1189-W1205 HydrophobicContact CD1-CH2 4.37Å; Y1189-W1205 AromaticContact CD1-CZ2 3.99Å; Y1189-W1205 HydrophobicContact CD1-CZ2 3.99Å; Y1189-W1205 HydrophobicContact CD1-CZ3 4.41Å; Y1189-W1205 AromaticContact CD1-NE1 3.83Å; Y1189-W1205 AromaticContact CE1-CD1 3.89Å; Y1189-W1205 AromaticContact CE1-CD2 3.93Å; Y1189-W1205 HydrophobicContact CE1-CD2 3.93Å; Y1189-W1205 AromaticContact CE1-CE2 3.41Å; Y1189-W1205 VanDerWaalsContact CE1-CE2 3.41Å; Y1189-W1205 HydrophobicContact CE1-CG 4.19Å; Y1189-W1205 HydrophobicContact CE1-CH2 4.42Å; Y1189-W1205 AromaticContact CE1-CZ2 3.7Å; Y1189-W1205 HydrophobicContact CE1-CZ2 3.7Å; Y1189-W1205 AromaticContact CE1-NE1 3.43Å; A1190-W1205 HydrophobicContact CB-CB 3.87Å; L1193-W1205 VanDerWaalsContact CD1-CD1 3.49Å; L1193-W1205 HydrophobicContact CD1-CG 4.27Å; G1201-W1205 VanDerWaalsContact O-CD1 3.29Å; G1201-W1205 PolarHBondContact O-N 2.82Å; G1201-W1205 VanDerWaalsContact O-N 3.14Å; A1202-W1205 PolarHBondContact O-N 2.86Å; A1203-W1205 PolarHBondContact O-N 2.8Å; W1205-R1208 PolarHBondContact O-N 3.09Å; W1205-A1209 PolarHBondContact O-N 2.71Å; W1205-A1209 VanDerWaalsContact O-N 3.12Å |
| 1206 | A | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.9 | -41.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1190 A1202 A1203 R1208 A1209 L1216 M1217 | A1190-A1206 HydrophobicContact CB-CB 4.08Å; A1202-A1206 WeakPolarHBondContact O-CB 3.25Å; A1202-A1206 PolarHBondContact O-N 2.9Å; A1203-A1206 PolarHBondContact O-N 3.1Å; A1206-R1208 VanDerWaalsContact C-N 3.26Å; A1206-R1208 PolarHBondContact O-N 2.9Å; A1206-A1209 WeakPolarHBondContact O-CB 3.47Å; A1206-A1209 PolarHBondContact O-N 3.13Å; A1206-A1209 VanDerWaalsContact O-N 3.08Å; A1206-L1216 HydrophobicContact CB-CB 4.45Å; A1206-L1216 HydrophobicContact CB-CD2 4.09Å; A1206-L1216 HydrophobicContact CB-CG 4.38Å; A1206-M1217 HydrophobicContact CB-CG 3.75Å; A1206-M1217 HydrophobicContact CB-SD 3.84Å |
| 1207 | S | 89.7 | Confident | 86.8 | Confident | 72 Ų | 72 | 40.6 Ų | 40.6 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.1 | -34.1 | 175.4 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | A1203 L1204 A1209 | A1203-S1207 WeakPolarHBondContact O-CB 3.49Å; A1203-S1207 PolarHBondContact O-N 2.82Å; L1204-S1207 PolarHBondContact O-N 2.95Å; L1204-S1207 PolarHBondContact O-OG 2.9Å; S1207-A1209 VanDerWaalsContact C-N 3.31Å |
| 1208 | R | 88.4 | Confident | 86.7 | Confident | 100 Ų | 100 | 45.7 Ų | 45.7 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -74.5 | -21.1 | 176.2 | -69.9 | 176.3 | 175.4 | -169 | -5.4 | 113.2 | E1164 F1186 L1204 W1205 A1206 G1210 | E1164-R1208 IonicContact OE1-CZ 3.93Å; E1164-R1208 IonicContact OE1-NH1 3.42Å; E1164-R1208 PolarHBondContact OE1-NH1 2.92Å; E1164-R1208 IonicContact OE1-NH2 2.64Å; E1164-R1208 PolarHBondContact OE1-NH2 2.72Å; E1164-R1208 IonicContact OE2-NH1 2.98Å; E1164-R1208 PolarHBondContact OE2-NH1 3.4Å; F1186-R1208 HydrophobicContact CD2-CB 3.78Å; F1186-R1208 HydrophobicContact CE2-CB 4.18Å; L1204-R1208 WeakPolarHBondContact O-CG 3.43Å; L1204-R1208 PolarHBondContact O-N 3.42Å; W1205-R1208 PolarHBondContact O-N 3.09Å; A1206-R1208 VanDerWaalsContact C-N 3.26Å; A1206-R1208 PolarHBondContact O-N 2.9Å; R1208-G1210 PolarHBondContact O-N 2.83Å |
| 1209 | A | 86.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | E1183 F1186 L1187 W1205 A1206 S1207 A1212 | E1183-A1209 WeakPolarHBondContact CG-O 3.37Å; F1186-A1209 HydrophobicContact CB-CB 3.9Å; L1187-A1209 HydrophobicContact CB-CB 4.12Å; W1205-A1209 PolarHBondContact O-N 2.71Å; W1205-A1209 VanDerWaalsContact O-N 3.12Å; A1206-A1209 WeakPolarHBondContact O-CB 3.47Å; A1206-A1209 PolarHBondContact O-N 3.13Å; A1206-A1209 VanDerWaalsContact O-N 3.08Å; S1207-A1209 VanDerWaalsContact C-N 3.31Å; A1209-A1212 PolarHBondContact O-N 3.08Å |
| 1210 | G | 85.4 | Confident | 86.3 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | 60.4 | -137.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1208 A1212 G1213 | R1208-G1210 PolarHBondContact O-N 2.83Å; G1210-A1212 PolarHBondContact O-N 2.86Å; G1210-G1213 PolarHBondContact O-N 2.97Å |
| 1211 | S | 82.4 | Confident | 85.9 | Confident | 80 Ų | 80 | 50.5 Ų | 50.5 | 56% | 0.559 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -60 | -27.8 | -178 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | G1213 | S1211-G1213 PolarHBondContact O-N 3.21Š|
| 1212 | A | 82.6 | Confident | 84.8 | Confident | 34 Ų | 34 | 57.4 Ų | 57.4 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -70.8 | -22.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1183 L1187 A1209 G1210 | E1183-A1212 HydrophobicContact CB-CB 4.09Å; L1187-A1212 WeakPolarHBondContact CD1-O 3.35Å; L1187-A1212 HydrophobicContact CD2-CB 3.95Å; L1187-A1212 VanDerWaalsContact CD2-O 3.24Å; L1187-A1212 WeakPolarHBondContact CD2-O 3.08Å; A1209-A1212 PolarHBondContact O-N 3.08Å; G1210-A1212 PolarHBondContact O-N 2.86Å |
| 1213 | G | 84.3 | Confident | 83 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -12.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | G1210 S1211 Q1215 L1216 M1217 | G1210-G1213 PolarHBondContact O-N 2.97Å; S1211-G1213 PolarHBondContact O-N 3.21Å; G1213-Q1215 PolarHBondContact O-N 3.05Å; G1213-L1216 PolarHBondContact O-N 3.03Å; G1213-L1216 VanDerWaalsContact O-N 3.14Å; G1213-M1217 WeakPolarHBondContact O-CG 3.47Å; G1213-M1217 PolarHBondContact O-N 3.31Å |
| 1214 | E | 86.6 | Confident | 80.8 | Confident | 124 Ų | 124 | 67.3 Ų | 67.3 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.9 | -44 | -175.4 | -70.6 | 178.8 | 175.7 | 0 | 0 | 112.5 | L1216 M1217 E1218 | E1214-L1216 PolarHBondContact O-N 3.37Å; E1214-M1217 WeakPolarHBondContact O-CB 3.46Å; E1214-M1217 PolarHBondContact O-N 3.23Å; E1214-E1218 WeakPolarHBondContact O-CG 3.4Å; E1214-E1218 PolarHBondContact O-N 3.04Å |
| 1215 | Q | 86.1 | Confident | 78.3 | Confident | 144 Ų | 144 | 67.8 Ų | 67.8 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 176.4 | -67.3 | -179.8 | -8 | 0 | 0 | 112.2 | G1213 M1217 E1218 E1219 | G1213-Q1215 PolarHBondContact O-N 3.05Å; Q1215-M1217 VanDerWaalsContact C-N 3.33Å; Q1215-M1217 PolarHBondContact O-N 3.26Å; Q1215-E1218 PolarHBondContact O-N 3.37Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.4Å; Q1215-E1219 PolarHBondContact O-N 2.68Å |
| 1216 | L | 86.8 | Confident | 75.5 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.4 | -35.8 | 179 | -176.3 | 62.8 | 0 | 0 | 0 | 111.3 | L1187 A1190 R1191 A1206 G1213 E1214 E1219 L1220 | L1187-L1216 HydrophobicContact CD1-CB 4.14Å; L1187-L1216 HydrophobicContact CD1-CD2 3.91Å; A1190-L1216 HydrophobicContact CB-CD2 3.56Å; R1191-L1216 HydrophobicContact CG-CD2 4.04Å; A1206-L1216 HydrophobicContact CB-CB 4.45Å; A1206-L1216 HydrophobicContact CB-CD2 4.09Å; A1206-L1216 HydrophobicContact CB-CG 4.38Å; G1213-L1216 PolarHBondContact O-N 3.03Å; G1213-L1216 VanDerWaalsContact O-N 3.14Å; E1214-L1216 PolarHBondContact O-N 3.37Å; L1216-E1219 PolarHBondContact O-N 2.7Å; L1216-L1220 HydrophobicContact CG-CD1 4.24Å; L1216-L1220 WeakPolarHBondContact O-CB 3.33Å; L1216-L1220 WeakPolarHBondContact O-CG 3.29Å; L1216-L1220 PolarHBondContact O-N 3.06Å |
| 1217 | M | 85 | Confident | 72.7 | Confident | 52 Ų | 52 | 77.3 Ų | 77.3 | 26% | 0.256 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.7 | -47.3 | 173.1 | -75.1 | -69.6 | -72 | 0 | 0 | 111 | A1203 A1206 G1213 E1214 Q1215 E1219 L1220 F1221 | A1203-M1217 HydrophobicContact CB-CE 4.49Å; A1203-M1217 HydrophobicContact CB-SD 3.92Å; A1203-M1217 VanDerWaalsContact O-SD 3.4Å; A1206-M1217 HydrophobicContact CB-CG 3.75Å; A1206-M1217 HydrophobicContact CB-SD 3.84Å; G1213-M1217 WeakPolarHBondContact O-CG 3.47Å; G1213-M1217 PolarHBondContact O-N 3.31Å; E1214-M1217 WeakPolarHBondContact O-CB 3.46Å; E1214-M1217 PolarHBondContact O-N 3.23Å; Q1215-M1217 VanDerWaalsContact C-N 3.33Å; Q1215-M1217 PolarHBondContact O-N 3.26Å; M1217-E1219 VanDerWaalsContact C-N 3.35Å; M1217-E1219 PolarHBondContact O-N 3.28Å; M1217-L1220 PolarHBondContact O-N 2.87Å; M1217-F1221 HydrophobicContact CE-CD2 4.37Å; M1217-F1221 HydrophobicContact CE-CE2 3.73Å; M1217-F1221 WeakPolarHBondContact O-CD2 3.38Å; M1217-F1221 PolarHBondContact O-N 2.83Å; M1217-F1221 HydrophobicContact SD-CE2 4.19Å |
| 1218 | E | 83.6 | Confident | 70.2 | Confident | 117 Ų | 117 | 80 Ų | 80 | 55% | 0.547 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 175.4 | -72.5 | -178.7 | -179.2 | 0 | 0 | 111.5 | E1214 Q1215 L1220 F1221 Q1222 | E1214-E1218 WeakPolarHBondContact O-CG 3.4Å; E1214-E1218 PolarHBondContact O-N 3.04Å; Q1215-E1218 PolarHBondContact O-N 3.37Å; E1218-L1220 VanDerWaalsContact C-N 3.32Å; E1218-L1220 PolarHBondContact O-N 3.25Å; E1218-F1221 CarbonylContact O-C 3.34Å; E1218-F1221 PolarHBondContact O-N 2.8Å; E1218-F1221 VanDerWaalsContact O-N 3.14Å; E1218-Q1222 VanDerWaalsContact O-CB 3.26Å; E1218-Q1222 WeakPolarHBondContact O-CB 3.01Å; E1218-Q1222 WeakPolarHBondContact O-CG 3.48Å; E1218-Q1222 PolarHBondContact O-N 2.96Å |
| 1219 | E | 83.9 | Confident | 67.4 | Low | 98 Ų | 98 | 84.5 Ų | 84.5 | 46% | 0.458 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -36 | 177.3 | -73.2 | -178.8 | -147.8 | 0 | 0 | 113.6 | R1194 Q1215 L1216 M1217 F1221 | R1194-E1219 IonicContact CZ-OE2 3.34Å; R1194-E1219 VanDerWaalsContact CZ-OE2 3.26Å; R1194-E1219 IonicContact NH1-OE2 2.61Å; R1194-E1219 PolarHBondContact NH1-OE2 3.45Å; R1194-E1219 IonicContact NH2-OE2 3.25Å; R1194-E1219 PolarHBondContact NH2-OE2 2.81Å; Q1215-E1219 WeakPolarHBondContact O-CG 3.4Å; Q1215-E1219 PolarHBondContact O-N 2.68Å; L1216-E1219 PolarHBondContact O-N 2.7Å; M1217-E1219 VanDerWaalsContact C-N 3.35Å; M1217-E1219 PolarHBondContact O-N 3.28Å; E1219-F1221 VanDerWaalsContact C-N 3.26Å; E1219-F1221 PolarHBondContact O-N 3.17Å |
| 1220 | L | 82.1 | Confident | 64.8 | Low | 14 Ų | 14 | 88.7 Ų | 88.7 | 7% | 0.073 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -68.8 | -25 | 177.7 | -75.2 | 169.5 | 0 | 0 | 0 | 112.2 | R1194 R1199 A1202 A1203 L1216 M1217 E1218 | R1194-L1220 HydrophobicContact CB-CD2 4.36Å; R1194-L1220 HydrophobicContact CG-CD2 3.9Å; R1199-L1220 HydrophobicContact CG-CD2 4.2Å; R1199-L1220 PolarHBondContact NE-O 2.85Å; R1199-L1220 PolarHBondContact NH2-O 3.2Å; A1202-L1220 HydrophobicContact CB-CD1 3.86Å; A1202-L1220 HydrophobicContact CB-CD2 4.29Å; A1203-L1220 HydrophobicContact CB-CD1 4.35Å; L1216-L1220 HydrophobicContact CG-CD1 4.24Å; L1216-L1220 WeakPolarHBondContact O-CB 3.33Å; L1216-L1220 WeakPolarHBondContact O-CG 3.29Å; L1216-L1220 PolarHBondContact O-N 3.06Å; M1217-L1220 PolarHBondContact O-N 2.87Å; E1218-L1220 VanDerWaalsContact C-N 3.32Å; E1218-L1220 PolarHBondContact O-N 3.25Å |
| 1221 | F | 77.5 | Confident | 62.7 | Low | 94 Ų | 94 | 94 Ų | 94 | 41% | 0.412 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -112.3 | -5.6 | -176.4 | -67.4 | -74.5 | 0 | 0 | 0 | 114.8 | A1203 M1217 E1218 E1219 G1223 | A1203-F1221 HydrophobicContact CB-CE2 4.17Å; A1203-F1221 HydrophobicContact CB-CZ 4.2Å; M1217-F1221 HydrophobicContact CE-CD2 4.37Å; M1217-F1221 HydrophobicContact CE-CE2 3.73Å; M1217-F1221 WeakPolarHBondContact O-CD2 3.38Å; M1217-F1221 PolarHBondContact O-N 2.83Å; M1217-F1221 HydrophobicContact SD-CE2 4.19Å; E1218-F1221 CarbonylContact O-C 3.34Å; E1218-F1221 PolarHBondContact O-N 2.8Å; E1218-F1221 VanDerWaalsContact O-N 3.14Å; E1219-F1221 VanDerWaalsContact C-N 3.26Å; E1219-F1221 PolarHBondContact O-N 3.17Å; F1221-G1223 PolarHBondContact O-N 2.94Å |
| 1222 | Q | 62.6 | Low | 60.3 | Low | 148 Ų | 148 | 98.2 Ų | 98.2 | 69% | 0.692 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 13.5 | -179.2 | -93.4 | 177.4 | 15.5 | 0 | 0 | 116.4 | E1218 | E1218-Q1222 VanDerWaalsContact O-CB 3.26Å; E1218-Q1222 WeakPolarHBondContact O-CB 3.01Å; E1218-Q1222 WeakPolarHBondContact O-CG 3.48Å; E1218-Q1222 PolarHBondContact O-N 2.96Å |
| 1223 | G | 51.8 | Low | 57.9 | Low | 64 Ų | 64 | 99.7 Ų | 99.7 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.4 | -3.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | F1221 G1225 | F1221-G1223 PolarHBondContact O-N 2.94Å; G1223-G1225 VanDerWaalsContact C-N 3.27Å; G1223-G1225 PolarHBondContact O-N 3.2Å |
| 1224 | E | 43.7 | Very low | 55.5 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 10.3 | -172 | -74.3 | -173.5 | 177 | 0 | 0 | 115.2 | R1199 | R1199-E1224 IonicContact NH2-OE1 3.39Š|
| 1225 | G | 35.9 | Very low | 52.9 | Low | 81 Ų | 81 | 110.8 Ų | 110.8 | 84% | 0.835 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.6 | 33.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | G1223 | G1223-G1225 VanDerWaalsContact C-N 3.27Å; G1223-G1225 PolarHBondContact O-N 3.2Å |
| 1226 | G | 31 | Very low | 50.2 | Low | 65 Ų | 65 | 112.9 Ų | 112.9 | 67% | 0.67 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -146.5 | 128.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1227 | V | 30.9 | Very low | 47.5 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 82% | 0.824 | 69% | 0.692 | S | S | * | * | trans | -41.4 | 143 | 175.2 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | E1229 | V1227-E1229 PolarHBondContact O-N 3.44Å; V1227-E1229 VanDerWaalsContact O-N 3.08Å | ||
| 1228 | P | 36.5 | Very low | 44.8 | Very low | 128 Ų | 128 | 125.5 Ų | 125.5 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -65.6 | 111.4 | -177.6 | 26.1 | -33.5 | 0 | 0 | 0 | 111.1 | ||||
| 1229 | E | 29.9 | Very low | 42.3 | Very low | 195 Ų | 195 | 125.8 Ų | 125.8 | 91% | 0.911 | 73% | 0.732 | S | S | * | * | trans | -84 | 140.3 | 166.5 | -102.1 | -174.6 | 166 | 0 | 0 | 111 | V1227 | V1227-E1229 PolarHBondContact O-N 3.44Å; V1227-E1229 VanDerWaalsContact O-N 3.08Å | ||
| 1230 | A | 32.2 | Very low | 39.6 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -67.3 | 146.2 | -167 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1232 | A1230-L1232 PolarHBondContact O-N 2.93Š| ||
| 1231 | V | 40.7 | Very low | 37 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 89% | 0.885 | 79% | 0.787 | S | S | * | * | trans | -57.3 | 113.7 | 164.1 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1232 | L | 32.8 | Very low | 34.7 | Very low | 169 Ų | 169 | 136.9 Ų | 136.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -135.2 | 135.5 | 157.5 | -66 | 171.1 | 0 | 0 | 0 | 103.7 | A1230 | A1230-L1232 PolarHBondContact O-N 2.93Š| ||
| 1233 | G | 31.4 | Very low | 33.1 | Very low | 65 Ų | 65 | 135.2 Ų | 135.2 | 67% | 0.67 | 81% | 0.814 | S | S | * | * | cis | 162.8 | 149.5 | 15.1 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 1234 | E | 35.6 | Very low | 32.1 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -40.4 | 130.2 | -176.1 | -63.6 | 161 | 155.7 | 0 | 0 | 115.1 | ||||
| 1235 | D | 30.8 | Very low | 31.5 | Very low | 164 Ų | 164 | 140.6 Ų | 140.6 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -98.7 | 109.2 | 159.9 | -89.1 | -26.3 | 0 | 0 | 0 | 109 | ||||
| 1236 | E | 29.7 | Very low | 31.4 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | trans | -62.5 | 131.4 | 165.5 | -71.6 | -178.9 | 141.9 | 0 | 0 | 110.2 | E1238 | E1236-E1238 PolarHBondContact O-N 3.17Š| ||
| 1237 | V | 31.1 | Very low | 31.5 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 79% | 0.794 | 84% | 0.841 | S | S | * | * | trans | -80.2 | 110.2 | 169.4 | 175.8 | 0 | 0 | 0 | 0 | 108 | V1239 | V1237-V1239 PolarHBondContact O-N 3.37Å; V1237-V1239 VanDerWaalsContact O-N 3.17Å | ||
| 1238 | E | 26.3 | Very low | 31.6 | Very low | 194 Ų | 194 | 154.1 Ų | 154.1 | 91% | 0.907 | 86% | 0.863 | S | S | * | * | trans | -58.3 | 113.2 | 168.3 | -83.8 | -174.2 | 146.5 | 0 | 0 | 110.4 | E1236 | E1236-E1238 PolarHBondContact O-N 3.17Š| ||
| 1239 | V | 31.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 155.5 Ų | 155.5 | 75% | 0.745 | 87% | 0.865 | S | S | * | * | trans | -86.6 | 114.4 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 107.9 | V1237 L1241 | V1237-V1239 PolarHBondContact O-N 3.37Å; V1237-V1239 VanDerWaalsContact O-N 3.17Å; V1239-L1241 PolarHBondContact O-N 2.88Å | ||
| 1240 | G | 27.4 | Very low | 31.4 | Very low | 75 Ų | 75 | 153.4 Ų | 153.4 | 77% | 0.773 | 86% | 0.862 | S | S | * | * | trans | -62.5 | 115.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1241 | L | 28.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 157 Ų | 157 | 91% | 0.906 | 87% | 0.87 | S | S | * | * | trans | -79.1 | 108.6 | 168.1 | -87.8 | 140.9 | 0 | 0 | 0 | 109.2 | V1239 | V1239-L1241 PolarHBondContact O-N 2.88Š| ||
| 1242 | E | 29.4 | Very low | 30.9 | Very low | 191 Ų | 191 | 157.6 Ų | 157.6 | 89% | 0.893 | 87% | 0.869 | S | S | * | * | trans | -79.5 | 123 | 160.7 | -84.4 | -175 | 161 | 0 | 0 | 109.6 | ||||
| 1243 | S | 28.1 | Very low | 30.7 | Very low | 113 Ų | 113 | 156.9 Ų | 156.9 | 79% | 0.79 | 87% | 0.868 | S | S | * | * | trans | -69.1 | 120.3 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 111.8 | E1245 | S1243-E1245 PolarHBondContact O-N 3.01Š| ||
| 1244 | T | 30.4 | Very low | 30.7 | Very low | 141 Ų | 141 | 163.1 Ų | 163.1 | 87% | 0.865 | 88% | 0.881 | S | S | * | * | trans | -75.8 | 110.1 | 160.1 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1245 | E | 31.1 | Very low | 30.4 | Very low | 192 Ų | 192 | 160.9 Ų | 160.9 | 90% | 0.897 | 88% | 0.88 | S | S | * | * | trans | -87.9 | 130 | 158.3 | -89.4 | -172 | 158.8 | 0 | 0 | 109.9 | S1243 | S1243-E1245 PolarHBondContact O-N 3.01Š| ||
| 1246 | E | 33.8 | Very low | 30.3 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 86% | 0.855 | 88% | 0.88 | S | S | * | * | trans | -63.1 | 142.2 | 170.6 | -63.4 | 174.2 | 139.9 | 0 | 0 | 111.2 | ||||
| 1247 | T | 33.5 | Very low | 30.4 | Very low | 136 Ų | 136 | 158.3 Ų | 158.3 | 83% | 0.834 | 88% | 0.88 | S | S | * | * | trans | -170.2 | 115.8 | 130.2 | 20 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1248 | L | 33.8 | Very low | 30.3 | Very low | 248 Ų | 248 | 160.8 Ų | 160.8 | 100% | 1.298 | 89% | 0.888 | S | S | * | * | trans | 56 | 0 | 156.6 | -77.4 | 157.1 | 0 | 0 | 0 | 120.6 |
Retrieved 1,248 of 1,248 residues in 290.8 ms
(Link to these results)