| 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 | 30.8 | Very low | 34.2 | Very low | 240 Ų | 240 | 128 Ų | 128 | 100% | 1.182 | 69% | 0.692 | S | S | * | * | 0 | 108.9 | 0 | -74.8 | -177.8 | -165.6 | 0 | 0 | 106.1 | |||||
| 2 | N | 29.3 | Very low | 35.4 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | trans | -83.5 | 116 | -161.4 | -64.3 | -17.8 | 0 | 0 | 0 | 110.3 | ||||
| 3 | G | 25.6 | Very low | 36.5 | Very low | 50 Ų | 50 | 125.5 Ų | 125.5 | 52% | 0.515 | 68% | 0.681 | S | S | . | * | trans | -98.2 | 91 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | H417 | G3-H417 PolarHBondContact O-NE2 2.88Š| ||
| 4 | F | 29.9 | Very low | 37.8 | Very low | 191 Ų | 191 | 118 Ų | 118 | 84% | 0.838 | 64% | 0.641 | S | S | * | * | trans | -79.4 | 115.7 | 165.5 | -120.8 | -96.3 | 0 | 0 | 0 | 105.7 | E6 | F4-E6 PolarHBondContact O-N 3.44Å; F4-E6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | L | 29.9 | Very low | 39.1 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 69% | 0.686 | 60% | 0.602 | S | S | * | * | trans | -58.4 | 108.9 | 165.4 | -75.6 | 156.9 | 0 | 0 | 0 | 107.1 | M7 | L5-M7 PolarHBondContact O-N 3.19Å; L5-M7 VanDerWaalsContact O-N 3.1Å | ||
| 6 | E | 27.1 | Very low | 40.7 | Very low | 180 Ų | 180 | 110.4 Ų | 110.4 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | trans | -57.3 | 110.1 | 163.7 | -80.8 | 173.8 | 146 | 0 | 0 | 106.9 | F4 D8 | F4-E6 PolarHBondContact O-N 3.44Å; F4-E6 VanDerWaalsContact O-N 3.07Å; E6-D8 PolarHBondContact O-N 3.39Å | ||
| 7 | M | 34.8 | Very low | 42.2 | Very low | 122 Ų | 122 | 106.8 Ų | 106.8 | 60% | 0.601 | 58% | 0.578 | S | S | * | * | trans | -59.6 | 129 | 152.4 | -82 | 171.2 | 56 | 0 | 0 | 105.8 | L5 A9 | L5-M7 PolarHBondContact O-N 3.19Å; L5-M7 VanDerWaalsContact O-N 3.1Å; M7-A9 PolarHBondContact O-N 2.95Å | ||
| 8 | D | 33.6 | Very low | 43.7 | Very low | 152 Ų | 152 | 104.7 Ų | 104.7 | 81% | 0.813 | 57% | 0.573 | S | S | * | * | trans | -62.9 | 78.9 | 166.2 | -71.5 | -33.5 | 0 | 0 | 0 | 108 | E6 L10 | E6-D8 PolarHBondContact O-N 3.39Å; D8-L10 PolarHBondContact O-N 3.06Å | ||
| 9 | A | 41.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 103.6 Ų | 103.6 | 63% | 0.628 | 56% | 0.563 | S | S | * | * | trans | -63 | 130.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | M7 S11 | M7-A9 PolarHBondContact O-N 2.95Å; A9-S11 PolarHBondContact O-N 3.25Å | ||
| 10 | L | 47.4 | Very low | 47.2 | Very low | 54 Ų | 54 | 104.5 Ų | 104.5 | 28% | 0.283 | 58% | 0.577 | S | S | . | * | trans | -36.5 | 121.8 | 171.6 | -71.1 | 165.9 | 0 | 0 | 0 | 108.6 | D8 D14 F15 L50 | D8-L10 PolarHBondContact O-N 3.06Å; L10-D14 WeakPolarHBondContact CA-OD2 3.19Å; L10-D14 HydrophobicContact CB-CB 4.24Å; L10-D14 WeakPolarHBondContact CB-OD2 3.44Å; L10-D14 HydrophobicContact CD2-CB 4.13Å; L10-D14 VanDerWaalsContact CD2-OD2 3.27Å; L10-D14 WeakPolarHBondContact CD2-OD2 3.22Å; L10-F15 HydrophobicContact CB-CE2 4.35Å; L10-F15 HydrophobicContact CD1-CE2 4.43Å; L10-F15 HydrophobicContact CD1-CZ 4.35Å; L10-L50 HydrophobicContact CB-CD2 4.25Å; L10-L50 WeakPolarHBondContact O-CD2 3.45Å | ||
| 11 | S | 46 | Very low | 48.9 | Very low | 55 Ų | 55 | 100.4 Ų | 100.4 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | trans | -78.7 | 169.1 | -173 | 82.1 | 0 | 0 | 0 | 0 | 109.5 | A9 S13 D14 | A9-S11 PolarHBondContact O-N 3.25Å; S11-S13 PolarHBondContact O-N 2.62Å; S11-S13 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact OG-OG 3.39Å; S11-D14 VanDerWaalsContact N-CG 3.3Å; S11-D14 PolarHBondContact N-OD2 3.04Å; S11-D14 WeakPolarHBondContact O-CB 3.44Å; S11-D14 PolarHBondContact O-N 3.48Å; S11-D14 VanDerWaalsContact O-N 3.09Å; S11-D14 PolarHBondContact OG-OD1 2.91Å | ||
| 12 | E | 48.8 | Very low | 51.6 | Low | 135 Ų | 135 | 95.8 Ų | 95.8 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -60.7 | -26.5 | -178.8 | -77.5 | -171 | 160.6 | 0 | 0 | 113.4 | D14 K54 | E12-D14 PolarHBondContact O-N 3.23Å; E12-K54 PolarHBondContact O-NZ 3.48Å |
| 13 | S | 49.8 | Very low | 54.5 | Low | 88 Ų | 88 | 89.8 Ų | 89.8 | 62% | 0.615 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -68.9 | -17.3 | 177.8 | 49.4 | 0 | 0 | 0 | 0 | 113.8 | S11 F15 | S11-S13 PolarHBondContact O-N 2.62Å; S11-S13 VanDerWaalsContact O-N 3.16Å; S11-S13 PolarHBondContact OG-OG 3.39Å; S13-F15 PolarHBondContact O-N 2.74Å; S13-F15 VanDerWaalsContact O-N 3.09Å |
| 14 | D | 54.3 | Low | 57.7 | Low | 21 Ų | 21 | 89.3 Ų | 89.3 | 11% | 0.112 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -80.5 | 4 | -168.9 | -57.1 | 14 | 0 | 0 | 0 | 112.9 | L10 S11 E12 P240 E243 | L10-D14 WeakPolarHBondContact CA-OD2 3.19Å; L10-D14 HydrophobicContact CB-CB 4.24Å; L10-D14 WeakPolarHBondContact CB-OD2 3.44Å; L10-D14 HydrophobicContact CD2-CB 4.13Å; L10-D14 VanDerWaalsContact CD2-OD2 3.27Å; L10-D14 WeakPolarHBondContact CD2-OD2 3.22Å; S11-D14 VanDerWaalsContact N-CG 3.3Å; S11-D14 PolarHBondContact N-OD2 3.04Å; S11-D14 WeakPolarHBondContact O-CB 3.44Å; S11-D14 PolarHBondContact O-N 3.48Å; S11-D14 VanDerWaalsContact O-N 3.09Å; S11-D14 PolarHBondContact OG-OD1 2.91Å; E12-D14 PolarHBondContact O-N 3.23Å; D14-P240 WeakPolarHBondContact O-CD 3.41Å; D14-E243 VanDerWaalsContact C-OE2 3.27Å; D14-E243 WeakPolarHBondContact CA-OE2 3.47Å; D14-E243 WeakPolarHBondContact CB-OE2 3.35Å; D14-E243 VanDerWaalsContact O-OE2 3.04Å |
| 15 | F | 58.4 | Low | 60.6 | Low | 14 Ų | 14 | 84.2 Ų | 84.2 | 6% | 0.061 | 47% | 0.467 | C | S | . | . | trans | -125 | 117.5 | 177.7 | -69.4 | -87.8 | 0 | 0 | 0 | 110 | L10 S13 L17 L50 I51 V237 L238 V239 | L10-F15 HydrophobicContact CB-CE2 4.35Å; L10-F15 HydrophobicContact CD1-CE2 4.43Å; L10-F15 HydrophobicContact CD1-CZ 4.35Å; S13-F15 PolarHBondContact O-N 2.74Å; S13-F15 VanDerWaalsContact O-N 3.09Å; F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 HydrophobicContact CB-CD2 4.11Å; F15-L17 HydrophobicContact CB-CG 4.15Å; F15-L17 PolarHBondContact O-N 3.16Å; F15-L50 HydrophobicContact CD2-CD2 3.78Å; F15-L50 HydrophobicContact CD2-CG 4.4Å; F15-L50 HydrophobicContact CE2-CB 4.5Å; F15-L50 HydrophobicContact CE2-CD2 3.45Å; F15-L50 VanDerWaalsContact CE2-CD2 3.45Å; F15-L50 HydrophobicContact CE2-CG 3.95Å; F15-I51 HydrophobicContact CE1-CD1 4.15Å; F15-V237 HydrophobicContact CB-CG1 4.38Å; F15-V237 HydrophobicContact CD1-CG1 3.39Å; F15-V237 HydrophobicContact CE1-CG1 3.94Å; F15-V237 HydrophobicContact CG-CG1 4.14Å; F15-L238 CarbonylContact C-O 3.57Å; F15-L238 VanDerWaalsContact CA-O 3.29Å; F15-L238 WeakPolarHBondContact CA-O 3.38Å; F15-V239 HydrophobicContact CD1-CG2 3.59Å; F15-V239 HydrophobicContact CE1-CG2 3.31Å; F15-V239 HydrophobicContact CZ-CG2 4.05Å | ||
| 16 | N | 64 | Low | 63.6 | Low | 101 Ų | 101 | 81.1 Ų | 81.1 | 54% | 0.54 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 93.3 | 161.8 | -76.2 | -40.1 | 0 | 0 | 0 | 108.4 | L238 | N16-L238 HydrophobicContact CB-CB 4.31Å; N16-L238 PolarHBondContact N-O 3.38Å; N16-L238 PolarHBondContact O-N 3.33Å |
| 17 | L | 66.9 | Low | 66.9 | Low | 49 Ų | 49 | 72.6 Ų | 72.6 | 26% | 0.257 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.9 | 174.6 | -59.2 | 171.9 | 0 | 0 | 0 | 109.7 | F15 E19 L21 K54 C236 V237 | F15-L17 VanDerWaalsContact C-N 3.34Å; F15-L17 HydrophobicContact CB-CD2 4.11Å; F15-L17 HydrophobicContact CB-CG 4.15Å; F15-L17 PolarHBondContact O-N 3.16Å; L17-E19 WeakPolarHBondContact CB-O 3.42Å; L17-E19 PolarHBondContact O-N 3.42Å; L17-L21 HydrophobicContact CD1-CB 4.4Å; L17-L21 HydrophobicContact CD1-CG 4.4Å; L17-L21 HydrophobicContact CD2-CD1 3.92Å; L17-L21 HydrophobicContact CD2-CG 4.43Å; L17-K54 HydrophobicContact CD1-CD 4.22Å; L17-K54 HydrophobicContact CD2-CD 4.33Å; L17-C236 CarbonylContact C-O 3.59Å; L17-C236 WeakPolarHBondContact CA-O 3.47Å; L17-V237 HydrophobicContact CD2-CB 4Å; L17-V237 HydrophobicContact CD2-CG1 3.72Å; L17-V237 HydrophobicContact CD2-CG2 3.56Å |
| 18 | S | 69.4 | Low | 69.7 | Low | 69 Ų | 69 | 69.4 Ų | 69.4 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -63.1 | -22.6 | 171.1 | 55.3 | 0 | 0 | 0 | 0 | 113 | C236 | S18-C236 PolarHBondContact N-O 2.93Å; S18-C236 PolarHBondContact OG-N 3Å |
| 19 | E | 78.2 | Confident | 72.5 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -157.1 | 160.9 | -178.5 | 51.9 | 170.6 | -123.4 | 0 | 0 | 110.9 | L17 L21 R63 | L17-E19 WeakPolarHBondContact CB-O 3.42Å; L17-E19 PolarHBondContact O-N 3.42Å; E19-L21 HydrophobicContact CG-CD2 3.84Å; E19-L21 PolarHBondContact O-N 3.38Å; E19-L21 WeakPolarHBondContact OE1-CD2 3.26Å; E19-R63 IonicContact OE1-CZ 2.89Å; E19-R63 IonicContact OE1-NH1 3.97Å; E19-R63 PolarHBondContact OE1-NH1 3.36Å; E19-R63 IonicContact OE1-NH2 3.71Å; E19-R63 PolarHBondContact OE1-NH2 3.13Å; E19-R63 IonicContact OE2-NH1 3.79Å |
| 20 | S | 78.2 | Confident | 75.1 | Confident | 121 Ų | 121 | 61 Ų | 61 | 85% | 0.846 | 36% | 0.356 | S | S | * | . | trans | -69 | 101.2 | 177.9 | 58.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 21 | L | 83.6 | Confident | 77.3 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 11% | 0.105 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -87.1 | 135.1 | 178.2 | -57.8 | -177.3 | 0 | 0 | 0 | 111.3 | L17 E19 S23 K54 Q58 V235 V237 | L17-L21 HydrophobicContact CD1-CB 4.4Å; L17-L21 HydrophobicContact CD1-CG 4.4Å; L17-L21 HydrophobicContact CD2-CD1 3.92Å; L17-L21 HydrophobicContact CD2-CG 4.43Å; E19-L21 HydrophobicContact CG-CD2 3.84Å; E19-L21 PolarHBondContact O-N 3.38Å; E19-L21 WeakPolarHBondContact OE1-CD2 3.26Å; L21-S23 PolarHBondContact O-N 2.91Å; L21-K54 HydrophobicContact CD1-CB 4.37Å; L21-Q58 HydrophobicContact CD1-CG 4.23Å; L21-Q58 HydrophobicContact CD2-CG 4.21Å; L21-V235 HydrophobicContact CD1-CG1 3.7Å; L21-V235 HydrophobicContact CD2-CG1 3.93Å; L21-V235 HydrophobicContact CG-CG1 4.35Å; L21-V237 HydrophobicContact CD1-CG2 3.94Å |
| 22 | K | 87.8 | Confident | 79.7 | Confident | 143 Ų | 143 | 58.9 Ų | 58.9 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -66.7 | 125.6 | 169.8 | -178.2 | 171.9 | 178.4 | 173.8 | 0 | 110.1 | Y24 | K22-Y24 HydrophobicContact CB-CE2 4.16Å; K22-Y24 HydrophobicContact CD-CE1 4.34Å; K22-Y24 HydrophobicContact CD-CE2 4.32Å; K22-Y24 HydrophobicContact CG-CE2 4.03Å; K22-Y24 WeakPolarHBondContact O-CD2 3.38Å; K22-Y24 WeakPolarHBondContact O-CE2 3.5Å |
| 23 | S | 88.8 | Confident | 82 | Confident | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 140.2 | 172.9 | -167.2 | 0 | 0 | 0 | 0 | 111.5 | L21 Q53 | L21-S23 PolarHBondContact O-N 2.91Å; S23-Q53 WeakPolarHBondContact OG-CB 3.5Å; S23-Q53 PolarHBondContact OG-OE1 3.24Å; S23-Q53 VanDerWaalsContact OG-OE1 3.09Å |
| 24 | Y | 92.8 | Very high | 84.2 | Confident | 39 Ų | 39 | 57.9 Ų | 57.9 | 15% | 0.153 | 34% | 0.341 | C | S | . | . | trans | -119.3 | 103.3 | -179.7 | -70.2 | -89.4 | 0 | 0 | 0 | 110.4 | K22 T26 S29 M30 Q53 K57 | K22-Y24 HydrophobicContact CB-CE2 4.16Å; K22-Y24 HydrophobicContact CD-CE1 4.34Å; K22-Y24 HydrophobicContact CD-CE2 4.32Å; K22-Y24 HydrophobicContact CG-CE2 4.03Å; K22-Y24 WeakPolarHBondContact O-CD2 3.38Å; K22-Y24 WeakPolarHBondContact O-CE2 3.5Å; Y24-T26 PolarHBondContact O-N 3.09Å; Y24-T26 VanDerWaalsContact O-N 3.16Å; Y24-S29 WeakPolarHBondContact CD1-O 3.45Å; Y24-S29 WeakPolarHBondContact CE1-O 3.35Å; Y24-M30 HydrophobicContact CD1-CG 4.46Å; Y24-M30 HydrophobicContact CG-CG 4.07Å; Y24-M30 WeakPolarHBondContact O-CE 3.45Å; Y24-Q53 PolarHBondContact N-O 3.19Å; Y24-Q53 WeakPolarHBondContact O-CB 3.41Å; Y24-Q53 VanDerWaalsContact O-CG 3.27Å; Y24-Q53 WeakPolarHBondContact O-CG 3.38Å; Y24-K57 HydrophobicContact CD2-CB 4.05Å; Y24-K57 HydrophobicContact CD2-CG 4.49Å; Y24-K57 HydrophobicContact CE2-CB 3.67Å; Y24-K57 HydrophobicContact CE2-CG 3.69Å | ||
| 25 | P | 90.7 | Very high | 86.3 | Confident | 85 Ų | 85 | 61 Ų | 61 | 55% | 0.552 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -70.6 | -16.1 | -166.7 | 27.8 | -36.1 | 0 | 0 | 0 | 114.4 | P48 | P25-P48 WeakPolarHBondContact O-CD 3.27Å; P25-P48 WeakPolarHBondContact O-CG 3.34Å |
| 26 | T | 94.3 | Very high | 88.1 | Confident | 65 Ų | 65 | 60.4 Ų | 60.4 | 40% | 0.399 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -134.7 | 150.4 | 179.1 | 68.7 | 0 | 0 | 0 | 0 | 111 | Y24 A28 S29 | Y24-T26 PolarHBondContact O-N 3.09Å; Y24-T26 VanDerWaalsContact O-N 3.16Å; T26-A28 PolarHBondContact O-N 3.19Å; T26-S29 PolarHBondContact N-OG 3.16Å; T26-S29 PolarHBondContact O-N 2.68Å; T26-S29 VanDerWaalsContact O-N 3.1Å; T26-S29 PolarHBondContact O-OG 3.15Å; T26-S29 WeakPolarHBondContact OG1-CB 3.4Å; T26-S29 PolarHBondContact OG1-N 3.31Å; T26-S29 PolarHBondContact OG1-OG 3.33Å |
| 27 | F | 95.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 57 Ų | 57 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -57.2 | -39.1 | 174.6 | -68 | -67.1 | 0 | 0 | 0 | 112.3 | S29 M30 L32 L37 I40 F45 P48 I56 I81 | F27-S29 VanDerWaalsContact C-N 3.28Å; F27-S29 PolarHBondContact O-N 3.1Å; F27-M30 HydrophobicContact CD1-CE 4.46Å; F27-M30 HydrophobicContact CD1-SD 4.21Å; F27-M30 WeakPolarHBondContact O-CB 3.39Å; F27-M30 PolarHBondContact O-N 3.22Å; F27-M30 VanDerWaalsContact O-N 3.15Å; F27-L32 HydrophobicContact CB-CD1 4.23Å; F27-L37 HydrophobicContact CB-CD1 3.68Å; F27-I40 HydrophobicContact CD1-CD1 4.31Å; F27-I40 HydrophobicContact CD1-CG2 4.28Å; F27-I40 HydrophobicContact CD2-CG2 3.69Å; F27-I40 HydrophobicContact CE1-CG2 4.41Å; F27-I40 HydrophobicContact CE2-CG2 3.86Å; F27-I40 HydrophobicContact CG-CG2 3.92Å; F27-I40 HydrophobicContact CZ-CG2 4.22Å; F27-F45 HydrophobicContact CE2-CB 3.85Å; F27-F45 HydrophobicContact CZ-CB 4.16Å; F27-P48 HydrophobicContact CD1-CB 4.23Å; F27-P48 HydrophobicContact CE1-CB 3.8Å; F27-P48 HydrophobicContact CE2-CB 4.26Å; F27-P48 HydrophobicContact CZ-CB 3.82Å; F27-I56 HydrophobicContact CD1-CD1 4.37Å; F27-I56 HydrophobicContact CE1-CD1 4Å; F27-I81 HydrophobicContact CD1-CD1 4.28Å; F27-I81 HydrophobicContact CE1-CD1 3.75Å; F27-I81 HydrophobicContact CZ-CD1 4.48Å |
| 28 | A | 93.5 | Very high | 91.1 | Very high | 56 Ų | 56 | 60 Ų | 60 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -60.3 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T26 M30 G31 L37 | T26-A28 PolarHBondContact O-N 3.19Å; A28-M30 PolarHBondContact O-N 3.44Å; A28-G31 PolarHBondContact O-N 3.44Å; A28-L37 HydrophobicContact CB-CD2 4.19Å |
| 29 | S | 94.2 | Very high | 92.4 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -69.6 | -11.1 | 179.4 | 71.9 | 0 | 0 | 0 | 0 | 114.4 | Y24 T26 F27 G31 | Y24-S29 WeakPolarHBondContact CD1-O 3.45Å; Y24-S29 WeakPolarHBondContact CE1-O 3.35Å; T26-S29 PolarHBondContact N-OG 3.16Å; T26-S29 PolarHBondContact O-N 2.68Å; T26-S29 VanDerWaalsContact O-N 3.1Å; T26-S29 PolarHBondContact O-OG 3.15Å; T26-S29 WeakPolarHBondContact OG1-CB 3.4Å; T26-S29 PolarHBondContact OG1-N 3.31Å; T26-S29 PolarHBondContact OG1-OG 3.33Å; F27-S29 VanDerWaalsContact C-N 3.28Å; F27-S29 PolarHBondContact O-N 3.1Å; S29-G31 VanDerWaalsContact C-N 3.35Å |
| 30 | M | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -82.6 | -11.1 | -178.4 | -60.3 | 174.1 | -178.8 | 0 | 0 | 113.3 | Y24 F27 A28 L32 P48 I56 K57 | Y24-M30 HydrophobicContact CD1-CG 4.46Å; Y24-M30 HydrophobicContact CG-CG 4.07Å; Y24-M30 WeakPolarHBondContact O-CE 3.45Å; F27-M30 HydrophobicContact CD1-CE 4.46Å; F27-M30 HydrophobicContact CD1-SD 4.21Å; F27-M30 WeakPolarHBondContact O-CB 3.39Å; F27-M30 PolarHBondContact O-N 3.22Å; F27-M30 VanDerWaalsContact O-N 3.15Å; A28-M30 PolarHBondContact O-N 3.44Å; M30-L32 HydrophobicContact CB-CD2 4.34Å; M30-L32 HydrophobicContact CB-CG 4.14Å; M30-P48 HydrophobicContact CE-CB 3.9Å; M30-P48 HydrophobicContact CE-CG 4.03Å; M30-I56 HydrophobicContact CE-CD1 4.26Å; M30-I56 HydrophobicContact SD-CB 3.83Å; M30-I56 HydrophobicContact SD-CD1 3.91Å; M30-I56 HydrophobicContact SD-CG1 4.45Å; M30-I56 HydrophobicContact SD-CG2 3.67Å; M30-K57 PolarHBondContact O-NZ 3.45Å |
| 31 | G | 93.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 52.1 Ų | 52.1 | 51% | 0.505 | 29% | 0.286 | S | S | . | . | trans | 73.4 | 46 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A28 S29 Q85 | A28-G31 PolarHBondContact O-N 3.44Å; S29-G31 VanDerWaalsContact C-N 3.35Å; G31-Q85 PolarHBondContact O-NE2 3.47Å | ||
| 32 | L | 96.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | trans | -79.8 | 156.1 | 177.5 | -57.2 | 177.3 | 0 | 0 | 0 | 111.1 | F27 M30 L36 L37 I40 I56 I60 I81 Q85 | F27-L32 HydrophobicContact CB-CD1 4.23Å; M30-L32 HydrophobicContact CB-CD2 4.34Å; M30-L32 HydrophobicContact CB-CG 4.14Å; L32-L36 HydrophobicContact CD2-CD2 4.32Å; L32-L37 HydrophobicContact CD1-CD1 4.42Å; L32-I40 HydrophobicContact CD1-CD1 3.5Å; L32-I56 HydrophobicContact CD2-CG2 4.48Å; L32-I60 HydrophobicContact CD2-CD1 3.45Å; L32-I60 VanDerWaalsContact CD2-CD1 3.45Å; L32-I81 HydrophobicContact CD1-CG2 3.91Å; L32-I81 HydrophobicContact CD2-CG2 3.96Å; L32-Q85 HydrophobicContact CD2-CB 4.45Å; L32-Q85 HydrophobicContact CD2-CG 4.29Å | ||
| 33 | K | 96.6 | Very high | 94.8 | Very high | 69 Ų | 69 | 51.6 Ų | 51.6 | 30% | 0.3 | 29% | 0.294 | S | S | . | . | trans | -59.8 | 137.9 | 168.9 | -73.4 | 162.4 | 176.3 | 166.9 | 0 | 109.6 | N35 L36 L37 Q85 I87 | K33-N35 VanDerWaalsContact C-N 3.26Å; K33-N35 PolarHBondContact O-N 2.93Å; K33-L36 HydrophobicContact CB-CB 4.2Å; K33-L36 WeakPolarHBondContact O-CA 3.47Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 2.93Å; K33-L37 PolarHBondContact O-N 3.2Å; K33-Q85 VanDerWaalsContact CE-O 3.27Å; K33-Q85 WeakPolarHBondContact CE-O 3.47Å; K33-Q85 PolarHBondContact NZ-O 2.86Å; K33-I87 PolarHBondContact NZ-O 2.87Å | ||
| 34 | D | 96.8 | Very high | 95 | Very high | 134 Ų | 134 | 52.8 Ų | 52.8 | 72% | 0.717 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55 | -41 | -178.3 | -65.2 | -20.5 | 0 | 0 | 0 | 112.9 | L36 L37 K38 | D34-L36 VanDerWaalsContact C-N 3.35Å; D34-L36 PolarHBondContact O-N 3.47Å; D34-L37 PolarHBondContact O-N 2.87Å; D34-K38 WeakPolarHBondContact O-CB 3.48Å; D34-K38 PolarHBondContact O-N 3.28Å |
| 35 | N | 97.2 | Very high | 94.9 | Very high | 87 Ų | 87 | 52.9 Ų | 52.9 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 176.8 | -74.9 | -4.8 | 0 | 0 | 0 | 113 | K33 G39 Y119 L120 | K33-N35 VanDerWaalsContact C-N 3.26Å; K33-N35 PolarHBondContact O-N 2.93Å; N35-G39 PolarHBondContact O-N 2.98Å; N35-G39 VanDerWaalsContact O-N 3.08Å; N35-Y119 VanDerWaalsContact CB-O 3.3Å; N35-Y119 WeakPolarHBondContact CB-O 3.31Å; N35-Y119 PolarHBondContact ND2-O 3.39Å; N35-L120 HydrophobicContact CB-CD2 3.66Å |
| 36 | L | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 174.3 | 177.5 | 57.6 | 0 | 0 | 0 | 110.2 | L32 K33 D34 K38 G39 I40 I81 L84 Q85 L120 | L32-L36 HydrophobicContact CD2-CD2 4.32Å; K33-L36 HydrophobicContact CB-CB 4.2Å; K33-L36 WeakPolarHBondContact O-CA 3.47Å; K33-L36 WeakPolarHBondContact O-CB 3.38Å; K33-L36 PolarHBondContact O-N 2.93Å; D34-L36 VanDerWaalsContact C-N 3.35Å; D34-L36 PolarHBondContact O-N 3.47Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 3.5Å; L36-G39 WeakPolarHBondContact O-CA 3.35Å; L36-G39 PolarHBondContact O-N 2.88Å; L36-G39 VanDerWaalsContact O-N 3.08Å; L36-I40 HydrophobicContact CG-CD1 4.2Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.93Å; L36-I81 HydrophobicContact CD2-CG2 4.24Å; L36-L84 HydrophobicContact CD1-CB 4.18Å; L36-L84 HydrophobicContact CD1-CD1 4.17Å; L36-L84 HydrophobicContact CD2-CB 4.4Å; L36-Q85 HydrophobicContact CD2-CB 3.88Å; L36-L120 HydrophobicContact CB-CD1 4.12Å; L36-L120 HydrophobicContact CB-CD2 4.4Å; L36-L120 HydrophobicContact CD1-CD1 4.04Å |
| 37 | L | 96.9 | Very high | 94.5 | Very high | 31 Ų | 31 | 61.7 Ų | 61.7 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -40.5 | 176.1 | -171.1 | 65.4 | 0 | 0 | 0 | 111.5 | F27 A28 L32 K33 D34 G39 I40 Y41 | F27-L37 HydrophobicContact CB-CD1 3.68Å; A28-L37 HydrophobicContact CB-CD2 4.19Å; L32-L37 HydrophobicContact CD1-CD1 4.42Å; K33-L37 PolarHBondContact O-N 3.2Å; D34-L37 PolarHBondContact O-N 2.87Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.15Å; L37-I40 WeakPolarHBondContact O-CB 3.39Å; L37-I40 PolarHBondContact O-N 3.37Å; L37-Y41 HydrophobicContact CD1-CD2 4.25Å; L37-Y41 HydrophobicContact CD1-CE2 3.53Å; L37-Y41 HydrophobicContact CD2-CE2 3.99Å; L37-Y41 HydrophobicContact CG-CD2 3.96Å; L37-Y41 HydrophobicContact CG-CE2 3.46Å; L37-Y41 VanDerWaalsContact CG-CE2 3.46Å; L37-Y41 WeakPolarHBondContact O-CD2 3.25Å; L37-Y41 PolarHBondContact O-N 3.07Å; L37-Y41 VanDerWaalsContact O-N 3.09Å |
| 38 | K | 96.5 | Very high | 94.3 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.478 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 171.8 | -170.4 | -178.8 | 179.4 | -177.8 | 0 | 112.1 | D34 L36 Y41 A42 Y119 | D34-K38 WeakPolarHBondContact O-CB 3.48Å; D34-K38 PolarHBondContact O-N 3.28Å; L36-K38 VanDerWaalsContact C-N 3.29Å; L36-K38 PolarHBondContact O-N 3.5Å; K38-Y41 PolarHBondContact O-N 2.99Å; K38-A42 VanDerWaalsContact O-CB 3.25Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 2.88Å; K38-Y119 HydrophobicContact CB-CD2 4.05Å; K38-Y119 HydrophobicContact CB-CE2 4.41Å; K38-Y119 HydrophobicContact CB-CG 4.44Å; K38-Y119 HydrophobicContact CD-CD1 3.81Å; K38-Y119 HydrophobicContact CD-CD2 3.98Å; K38-Y119 HydrophobicContact CD-CE1 3.91Å; K38-Y119 HydrophobicContact CD-CE2 4.06Å; K38-Y119 HydrophobicContact CD-CG 3.84Å; K38-Y119 VanDerWaalsContact CE-CE1 3.45Å; K38-Y119 HydrophobicContact CG-CD2 3.81Å; K38-Y119 HydrophobicContact CG-CE1 4.49Å; K38-Y119 HydrophobicContact CG-CE2 3.75Å; K38-Y119 HydrophobicContact CG-CG 4.19Å |
| 39 | G | 97.1 | Very high | 94 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62 | -42.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | N35 L36 L37 A42 Y43 | N35-G39 PolarHBondContact O-N 2.98Å; N35-G39 VanDerWaalsContact O-N 3.08Å; L36-G39 WeakPolarHBondContact O-CA 3.35Å; L36-G39 PolarHBondContact O-N 2.88Å; L36-G39 VanDerWaalsContact O-N 3.08Å; L37-G39 VanDerWaalsContact C-N 3.35Å; L37-G39 PolarHBondContact O-N 3.15Å; G39-A42 PolarHBondContact O-N 3.11Å; G39-Y43 WeakPolarHBondContact O-CB 2.98Å; G39-Y43 PolarHBondContact O-N 3.09Å |
| 40 | I | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 176.3 | -69.6 | 166.9 | 0 | 0 | 0 | 111.1 | F27 L32 L36 L37 Y43 G44 F45 I81 L116 | F27-I40 HydrophobicContact CD1-CD1 4.31Å; F27-I40 HydrophobicContact CD1-CG2 4.28Å; F27-I40 HydrophobicContact CD2-CG2 3.69Å; F27-I40 HydrophobicContact CE1-CG2 4.41Å; F27-I40 HydrophobicContact CE2-CG2 3.86Å; F27-I40 HydrophobicContact CG-CG2 3.92Å; F27-I40 HydrophobicContact CZ-CG2 4.22Å; L32-I40 HydrophobicContact CD1-CD1 3.5Å; L36-I40 HydrophobicContact CG-CD1 4.2Å; L36-I40 WeakPolarHBondContact O-CG1 3.43Å; L36-I40 PolarHBondContact O-N 2.93Å; L37-I40 WeakPolarHBondContact O-CB 3.39Å; L37-I40 PolarHBondContact O-N 3.37Å; I40-Y43 PolarHBondContact O-N 2.83Å; I40-G44 PolarHBondContact O-N 2.83Å; I40-F45 HydrophobicContact CG2-CB 3.75Å; I40-F45 HydrophobicContact CG2-CD2 4.21Å; I40-F45 PolarHBondContact O-N 3.41Å; I40-F45 VanDerWaalsContact O-N 3.16Å; I40-I81 HydrophobicContact CD1-CD1 3.78Å; I40-I81 HydrophobicContact CD1-CG1 3.88Å; I40-I81 HydrophobicContact CD1-CG2 3.89Å; I40-I81 HydrophobicContact CG1-CD1 3.95Å; I40-I81 HydrophobicContact CG1-CG1 4.03Å; I40-L116 HydrophobicContact CB-CD2 4.47Å; I40-L116 HydrophobicContact CG1-CD2 3.96Å |
| 41 | Y | 95 | Very high | 93.1 | Very high | 107 Ų | 107 | 60.2 Ų | 60.2 | 42% | 0.42 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -70.3 | -37.9 | 179.8 | -67.5 | -51 | 0 | 0 | 0 | 112.7 | L37 K38 Y43 G44 F45 | L37-Y41 HydrophobicContact CD1-CD2 4.25Å; L37-Y41 HydrophobicContact CD1-CE2 3.53Å; L37-Y41 HydrophobicContact CD2-CE2 3.99Å; L37-Y41 HydrophobicContact CG-CD2 3.96Å; L37-Y41 HydrophobicContact CG-CE2 3.46Å; L37-Y41 VanDerWaalsContact CG-CE2 3.46Å; L37-Y41 WeakPolarHBondContact O-CD2 3.25Å; L37-Y41 PolarHBondContact O-N 3.07Å; L37-Y41 VanDerWaalsContact O-N 3.09Å; K38-Y41 PolarHBondContact O-N 2.99Å; Y41-Y43 VanDerWaalsContact C-N 3.26Å; Y41-Y43 PolarHBondContact O-N 3.01Å; Y41-G44 PolarHBondContact O-N 2.95Å; Y41-F45 WeakPolarHBondContact CD1-O 3.49Å |
| 42 | A | 94.7 | Very high | 93 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 55% | 0.554 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.5 | -31.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K38 G39 G44 Y119 | K38-A42 VanDerWaalsContact O-CB 3.25Å; K38-A42 WeakPolarHBondContact O-CB 3.49Å; K38-A42 PolarHBondContact O-N 2.88Å; G39-A42 PolarHBondContact O-N 3.11Å; A42-G44 PolarHBondContact O-N 2.78Å; A42-Y119 HydrophobicContact CB-CE2 3.87Å |
| 43 | Y | 93 | Very high | 92.8 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 34% | 0.337 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.6 | -20.8 | 172.9 | -164.9 | -100.2 | 0 | 0 | 0 | 113 | G39 I40 Y41 F45 S115 L116 | G39-Y43 WeakPolarHBondContact O-CB 2.98Å; G39-Y43 PolarHBondContact O-N 3.09Å; I40-Y43 PolarHBondContact O-N 2.83Å; Y41-Y43 VanDerWaalsContact C-N 3.26Å; Y41-Y43 PolarHBondContact O-N 3.01Å; Y43-F45 HydrophobicContact CD1-CD1 4.13Å; Y43-F45 HydrophobicContact CD1-CD2 4.04Å; Y43-F45 AromaticContact CD1-CE1 3.68Å; Y43-F45 HydrophobicContact CD1-CE1 3.68Å; Y43-F45 AromaticContact CD1-CE2 3.59Å; Y43-F45 HydrophobicContact CD1-CE2 3.59Å; Y43-F45 HydrophobicContact CD1-CG 4.3Å; Y43-F45 AromaticContact CD1-CZ 3.39Å; Y43-F45 HydrophobicContact CD1-CZ 3.39Å; Y43-F45 AromaticContact CE1-CE1 3.79Å; Y43-F45 HydrophobicContact CE1-CE1 3.79Å; Y43-F45 HydrophobicContact CE1-CE2 4.02Å; Y43-F45 AromaticContact CE1-CZ 3.43Å; Y43-F45 HydrophobicContact CE1-CZ 3.43Å; Y43-F45 VanDerWaalsContact CE1-CZ 3.43Å; Y43-F45 HydrophobicContact CG-CE2 4.5Å; Y43-S115 VanDerWaalsContact CD2-CB 3.5Å; Y43-L116 HydrophobicContact CG-CD2 4.32Å |
| 44 | G | 91.3 | Very high | 92.4 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 57% | 0.567 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103 | 13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | I40 Y41 A42 | I40-G44 PolarHBondContact O-N 2.83Å; Y41-G44 PolarHBondContact O-N 2.95Å; A42-G44 PolarHBondContact O-N 2.78Å |
| 45 | F | 91.1 | Very high | 92.2 | Very high | 41 Ų | 41 | 50.2 Ų | 50.2 | 18% | 0.18 | 26% | 0.258 | C | S | . | . | trans | -83.2 | 116.9 | 173.9 | -64.1 | -31.3 | 0 | 0 | 0 | 111.2 | F27 I40 Y41 Y43 A77 L116 | F27-F45 HydrophobicContact CE2-CB 3.85Å; F27-F45 HydrophobicContact CZ-CB 4.16Å; I40-F45 HydrophobicContact CG2-CB 3.75Å; I40-F45 HydrophobicContact CG2-CD2 4.21Å; I40-F45 PolarHBondContact O-N 3.41Å; I40-F45 VanDerWaalsContact O-N 3.16Å; Y41-F45 WeakPolarHBondContact CD1-O 3.49Å; Y43-F45 HydrophobicContact CD1-CD1 4.13Å; Y43-F45 HydrophobicContact CD1-CD2 4.04Å; Y43-F45 AromaticContact CD1-CE1 3.68Å; Y43-F45 HydrophobicContact CD1-CE1 3.68Å; Y43-F45 AromaticContact CD1-CE2 3.59Å; Y43-F45 HydrophobicContact CD1-CE2 3.59Å; Y43-F45 HydrophobicContact CD1-CG 4.3Å; Y43-F45 AromaticContact CD1-CZ 3.39Å; Y43-F45 HydrophobicContact CD1-CZ 3.39Å; Y43-F45 AromaticContact CE1-CE1 3.79Å; Y43-F45 HydrophobicContact CE1-CE1 3.79Å; Y43-F45 HydrophobicContact CE1-CE2 4.02Å; Y43-F45 AromaticContact CE1-CZ 3.43Å; Y43-F45 HydrophobicContact CE1-CZ 3.43Å; Y43-F45 VanDerWaalsContact CE1-CZ 3.43Å; Y43-F45 HydrophobicContact CG-CE2 4.5Å; F45-A77 HydrophobicContact CE2-CB 3.57Å; F45-A77 HydrophobicContact CZ-CB 3.77Å; F45-L116 HydrophobicContact CD2-CD2 4.27Å; F45-L116 HydrophobicContact CE2-CD2 4.14Å | ||
| 46 | E | 88.1 | Confident | 92.1 | Very high | 159 Ų | 159 | 46 Ų | 46 | 74% | 0.743 | 24% | 0.236 | S | C | * | . | trans | -96.3 | -52.9 | -179.9 | -62.8 | -176.3 | 177 | 0 | 0 | 112.8 | ||||
| 47 | K | 89.2 | Confident | 92 | Very high | 177 Ų | 177 | 48.1 Ų | 48.1 | 77% | 0.77 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -122.8 | 138.4 | -178.9 | -68.3 | -175.5 | -179.9 | 179.4 | 0 | 111.2 | ||
| 48 | P | 91.4 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | trans | -70.2 | 139.7 | 175.8 | 28.5 | -34.7 | 0 | 0 | 0 | 112 | P25 F27 M30 Q52 Q53 | P25-P48 WeakPolarHBondContact O-CD 3.27Å; P25-P48 WeakPolarHBondContact O-CG 3.34Å; F27-P48 HydrophobicContact CD1-CB 4.23Å; F27-P48 HydrophobicContact CE1-CB 3.8Å; F27-P48 HydrophobicContact CE2-CB 4.26Å; F27-P48 HydrophobicContact CZ-CB 3.82Å; M30-P48 HydrophobicContact CE-CB 3.9Å; M30-P48 HydrophobicContact CE-CG 4.03Å; P48-Q52 HydrophobicContact CB-CB 3.82Å; P48-Q53 HydrophobicContact CB-CG 3.84Å; P48-Q53 HydrophobicContact CG-CG 3.66Å; P48-Q53 PolarHBondContact O-NE2 2.97Å | ||
| 49 | S | 86.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 42 Ų | 42 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | trans | -67.8 | 160.7 | 168.9 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | I51 Q52 Q53 T73 | S49-I51 PolarHBondContact O-N 3.09Å; S49-I51 VanDerWaalsContact O-N 3.17Å; S49-I51 VanDerWaalsContact OG-CG2 3.28Å; S49-I51 WeakPolarHBondContact OG-CG2 3.27Å; S49-Q52 WeakPolarHBondContact O-CA 3.34Å; S49-Q52 VanDerWaalsContact O-CB 3.3Å; S49-Q52 WeakPolarHBondContact O-CB 3.4Å; S49-Q52 PolarHBondContact O-N 3.16Å; S49-Q52 VanDerWaalsContact OG-CG 3.32Å; S49-Q52 WeakPolarHBondContact OG-CG 3.32Å; S49-Q53 WeakPolarHBondContact O-CG 3.5Å; S49-Q53 PolarHBondContact O-N 3.13Å; S49-T73 WeakPolarHBondContact CB-O 3.39Å; S49-T73 PolarHBondContact OG-O 3.22Å | ||
| 50 | L | 83.2 | Confident | 91.9 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.2 | -41 | -177.4 | -176.7 | 60.1 | 0 | 0 | 0 | 113 | L10 F15 Q52 Q53 K54 | L10-L50 HydrophobicContact CB-CD2 4.25Å; L10-L50 WeakPolarHBondContact O-CD2 3.45Å; F15-L50 HydrophobicContact CD2-CD2 3.78Å; F15-L50 HydrophobicContact CD2-CG 4.4Å; F15-L50 HydrophobicContact CE2-CB 4.5Å; F15-L50 HydrophobicContact CE2-CD2 3.45Å; F15-L50 VanDerWaalsContact CE2-CD2 3.45Å; F15-L50 HydrophobicContact CE2-CG 3.95Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.09Å; L50-Q53 PolarHBondContact O-N 3.36Å; L50-K54 HydrophobicContact CD1-CD 4.27Å; L50-K54 HydrophobicContact CD1-CG 4.43Å; L50-K54 HydrophobicContact CG-CD 4.37Å; L50-K54 PolarHBondContact O-N 2.77Å; L50-K54 VanDerWaalsContact O-N 3.15Å |
| 51 | I | 86.2 | Confident | 91.8 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.036 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 175.4 | -173.3 | 64.5 | 0 | 0 | 0 | 111.2 | F15 S49 K54 T55 A67 A69 T73 V237 | F15-I51 HydrophobicContact CE1-CD1 4.15Å; S49-I51 PolarHBondContact O-N 3.09Å; S49-I51 VanDerWaalsContact O-N 3.17Å; S49-I51 VanDerWaalsContact OG-CG2 3.28Å; S49-I51 WeakPolarHBondContact OG-CG2 3.27Å; I51-K54 PolarHBondContact O-N 3.33Å; I51-T55 HydrophobicContact CD1-CG2 3.61Å; I51-T55 HydrophobicContact CG1-CG2 4.32Å; I51-T55 WeakPolarHBondContact O-CB 3.35Å; I51-T55 PolarHBondContact O-N 2.88Å; I51-T55 PolarHBondContact O-OG1 3.02Å; I51-A67 HydrophobicContact CD1-CB 4.37Å; I51-A69 HydrophobicContact CG1-CB 4.3Å; I51-T73 WeakPolarHBondContact CG2-O 3.39Å; I51-V237 HydrophobicContact CD1-CB 4.33Å; I51-V237 HydrophobicContact CD1-CG1 3.57Å |
| 52 | Q | 92.2 | Very high | 91.8 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 177 | -71.1 | 168.8 | -5.7 | 0 | 0 | 111.7 | P48 S49 L50 K54 I56 G74 T78 | P48-Q52 HydrophobicContact CB-CB 3.82Å; S49-Q52 WeakPolarHBondContact O-CA 3.34Å; S49-Q52 VanDerWaalsContact O-CB 3.3Å; S49-Q52 WeakPolarHBondContact O-CB 3.4Å; S49-Q52 PolarHBondContact O-N 3.16Å; S49-Q52 VanDerWaalsContact OG-CG 3.32Å; S49-Q52 WeakPolarHBondContact OG-CG 3.32Å; L50-Q52 VanDerWaalsContact C-N 3.33Å; L50-Q52 PolarHBondContact O-N 3.09Å; Q52-K54 VanDerWaalsContact C-N 3.27Å; Q52-K54 PolarHBondContact O-N 3.21Å; Q52-I56 HydrophobicContact CB-CD1 3.67Å; Q52-I56 HydrophobicContact CB-CG1 4.2Å; Q52-I56 HydrophobicContact CG-CD1 4.01Å; Q52-I56 WeakPolarHBondContact O-CB 3.3Å; Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.18Å; Q52-G74 PolarHBondContact NE2-O 2.96Å; Q52-T78 WeakPolarHBondContact CG-OG1 3.32Å |
| 53 | Q | 91.2 | Very high | 91.7 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 178.6 | -63.6 | 179.6 | 29.4 | 0 | 0 | 112.2 | S23 Y24 P48 S49 L50 | S23-Q53 WeakPolarHBondContact OG-CB 3.5Å; S23-Q53 PolarHBondContact OG-OE1 3.24Å; S23-Q53 VanDerWaalsContact OG-OE1 3.09Å; Y24-Q53 PolarHBondContact N-O 3.19Å; Y24-Q53 WeakPolarHBondContact O-CB 3.41Å; Y24-Q53 VanDerWaalsContact O-CG 3.27Å; Y24-Q53 WeakPolarHBondContact O-CG 3.38Å; P48-Q53 HydrophobicContact CB-CG 3.84Å; P48-Q53 HydrophobicContact CG-CG 3.66Å; P48-Q53 PolarHBondContact O-NE2 2.97Å; S49-Q53 WeakPolarHBondContact O-CG 3.5Å; S49-Q53 PolarHBondContact O-N 3.13Å; L50-Q53 PolarHBondContact O-N 3.36Å |
| 54 | K | 88.7 | Confident | 91.8 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.022 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -85.7 | -36.6 | -177.6 | -69.3 | -180 | 172.1 | -179.8 | 0 | 113.4 | E12 L17 L21 L50 I51 Q52 | E12-K54 PolarHBondContact O-NZ 3.48Å; L17-K54 HydrophobicContact CD1-CD 4.22Å; L17-K54 HydrophobicContact CD2-CD 4.33Å; L21-K54 HydrophobicContact CD1-CB 4.37Å; L50-K54 HydrophobicContact CD1-CD 4.27Å; L50-K54 HydrophobicContact CD1-CG 4.43Å; L50-K54 HydrophobicContact CG-CD 4.37Å; L50-K54 PolarHBondContact O-N 2.77Å; L50-K54 VanDerWaalsContact O-N 3.15Å; I51-K54 PolarHBondContact O-N 3.33Å; Q52-K54 VanDerWaalsContact C-N 3.27Å; Q52-K54 PolarHBondContact O-N 3.21Å |
| 55 | T | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -106.6 | -28.4 | -164.5 | 59.7 | 0 | 0 | 0 | 0 | 115.7 | I51 K57 Q58 I59 L65 T78 V237 | I51-T55 HydrophobicContact CD1-CG2 3.61Å; I51-T55 HydrophobicContact CG1-CG2 4.32Å; I51-T55 WeakPolarHBondContact O-CB 3.35Å; I51-T55 PolarHBondContact O-N 2.88Å; I51-T55 PolarHBondContact O-OG1 3.02Å; T55-K57 PolarHBondContact O-N 2.88Å; T55-Q58 WeakPolarHBondContact O-CB 3.42Å; T55-Q58 PolarHBondContact O-N 3.15Å; T55-I59 PolarHBondContact O-N 3.35Å; T55-I59 VanDerWaalsContact O-N 3.13Å; T55-L65 HydrophobicContact CG2-CD1 4.02Å; T55-L65 HydrophobicContact CG2-CD2 4.21Å; T55-T78 WeakPolarHBondContact OG1-CG2 3.2Å; T55-V237 HydrophobicContact CG2-CB 4.2Å; T55-V237 HydrophobicContact CG2-CG1 4.34Å; T55-V237 HydrophobicContact CG2-CG2 3.63Å |
| 56 | I | 96 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.2 | -44.9 | -178.1 | -72.7 | 176.7 | 0 | 0 | 0 | 110.3 | F27 M30 L32 Q52 Q58 I59 I60 T78 I81 | F27-I56 HydrophobicContact CD1-CD1 4.37Å; F27-I56 HydrophobicContact CE1-CD1 4Å; M30-I56 HydrophobicContact CE-CD1 4.26Å; M30-I56 HydrophobicContact SD-CB 3.83Å; M30-I56 HydrophobicContact SD-CD1 3.91Å; M30-I56 HydrophobicContact SD-CG1 4.45Å; M30-I56 HydrophobicContact SD-CG2 3.67Å; L32-I56 HydrophobicContact CD2-CG2 4.48Å; Q52-I56 HydrophobicContact CB-CD1 3.67Å; Q52-I56 HydrophobicContact CB-CG1 4.2Å; Q52-I56 HydrophobicContact CG-CD1 4.01Å; Q52-I56 WeakPolarHBondContact O-CB 3.3Å; Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.18Å; I56-Q58 VanDerWaalsContact C-N 3.28Å; I56-Q58 PolarHBondContact O-N 3.3Å; I56-I59 PolarHBondContact O-N 3.37Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CG1 3.49Å; I56-I60 PolarHBondContact O-N 3.17Å; I56-T78 HydrophobicContact CG1-CG2 3.97Å; I56-I81 HydrophobicContact CD1-CB 4.27Å; I56-I81 HydrophobicContact CD1-CD1 4.04Å; I56-I81 HydrophobicContact CD1-CG2 4.18Å; I56-I81 HydrophobicContact CG2-CG2 3.9Å |
| 57 | K | 95 | Very high | 92.3 | Very high | 44 Ų | 44 | 29.9 Ų | 29.9 | 19% | 0.191 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -35.3 | 179.7 | -168.4 | 61.7 | 170.1 | -178.2 | 0 | 112.7 | Y24 M30 T55 I59 I60 L61 | Y24-K57 HydrophobicContact CD2-CB 4.05Å; Y24-K57 HydrophobicContact CD2-CG 4.49Å; Y24-K57 HydrophobicContact CE2-CB 3.67Å; Y24-K57 HydrophobicContact CE2-CG 3.69Å; M30-K57 PolarHBondContact O-NZ 3.45Å; T55-K57 PolarHBondContact O-N 2.88Å; K57-I59 VanDerWaalsContact C-N 3.31Å; K57-I59 PolarHBondContact O-N 3.25Å; K57-I60 HydrophobicContact CD-CD1 4.47Å; K57-I60 WeakPolarHBondContact O-CB 3.3Å; K57-I60 PolarHBondContact O-N 2.79Å; K57-L61 HydrophobicContact CG-CD1 4.23Å; K57-L61 HydrophobicContact CG-CG 4.42Å; K57-L61 VanDerWaalsContact O-CG 3.26Å; K57-L61 WeakPolarHBondContact O-CG 3.19Å; K57-L61 PolarHBondContact O-N 3.06Å |
| 58 | Q | 94.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 22 Ų | 22 | 6% | 0.056 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.8 | -37.1 | 178.6 | -51.3 | -48.5 | -28.1 | 0 | 0 | 111.8 | L21 T55 I56 L61 G62 R63 V235 | L21-Q58 HydrophobicContact CD1-CG 4.23Å; L21-Q58 HydrophobicContact CD2-CG 4.21Å; T55-Q58 WeakPolarHBondContact O-CB 3.42Å; T55-Q58 PolarHBondContact O-N 3.15Å; I56-Q58 VanDerWaalsContact C-N 3.28Å; I56-Q58 PolarHBondContact O-N 3.3Å; Q58-L61 PolarHBondContact O-N 3.32Å; Q58-G62 PolarHBondContact O-N 3.27Å; Q58-R63 PolarHBondContact O-N 3.28Å; Q58-V235 HydrophobicContact CB-CG2 4.33Å; Q58-V235 HydrophobicContact CG-CG1 4.47Å; Q58-V235 HydrophobicContact CG-CG2 4.47Å |
| 59 | I | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 173.5 | -57.1 | 176.9 | 0 | 0 | 0 | 110.2 | T55 I56 K57 L61 G62 L65 T78 F79 G82 T83 N86 Q211 V213 | T55-I59 PolarHBondContact O-N 3.35Å; T55-I59 VanDerWaalsContact O-N 3.13Å; I56-I59 PolarHBondContact O-N 3.37Å; K57-I59 VanDerWaalsContact C-N 3.31Å; K57-I59 PolarHBondContact O-N 3.25Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.43Å; I59-G62 PolarHBondContact O-N 3.06Å; I59-L65 HydrophobicContact CD1-CD2 3.77Å; I59-L65 HydrophobicContact CG1-CD2 3.7Å; I59-T78 HydrophobicContact CD1-CG2 4.17Å; I59-F79 HydrophobicContact CD1-CB 4.1Å; I59-G82 VanDerWaalsContact CG2-C 3.48Å; I59-T83 HydrophobicContact CG2-CG2 3.97Å; I59-N86 PolarHBondContact O-ND2 2.89Å; I59-Q211 VanDerWaalsContact CA-NE2 3.32Å; I59-Q211 PolarHBondContact O-NE2 3.41Å; I59-Q211 PolarHBondContact O-OE1 3.24Å; I59-V213 HydrophobicContact CD1-CG1 4.12Å; I59-V213 HydrophobicContact CD1-CG2 4.45Å; I59-V213 HydrophobicContact CG1-CG2 4.23Å; I59-V213 HydrophobicContact CG2-CG2 4.27Å |
| 60 | I | 96.4 | Very high | 90.7 | Very high | 21 Ų | 21 | 21.2 Ų | 21.2 | 11% | 0.108 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 177.3 | -64.5 | 167.6 | 0 | 0 | 0 | 111.5 | L32 I56 K57 G62 Q85 N86 | L32-I60 HydrophobicContact CD2-CD1 3.45Å; L32-I60 VanDerWaalsContact CD2-CD1 3.45Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CG1 3.49Å; I56-I60 PolarHBondContact O-N 3.17Å; K57-I60 HydrophobicContact CD-CD1 4.47Å; K57-I60 WeakPolarHBondContact O-CB 3.3Å; K57-I60 PolarHBondContact O-N 2.79Å; I60-G62 PolarHBondContact O-N 2.79Å; I60-G62 VanDerWaalsContact O-N 3.16Å; I60-Q85 HydrophobicContact CB-CG 4.49Å; I60-Q85 HydrophobicContact CD1-CB 4.38Å; I60-Q85 HydrophobicContact CD1-CG 4.01Å; I60-Q85 HydrophobicContact CG1-CB 3.99Å; I60-Q85 HydrophobicContact CG1-CG 3.81Å; I60-Q85 HydrophobicContact CG2-CG 3.94Å; I60-N86 PolarHBondContact O-ND2 3.43Å; I60-N86 PolarHBondContact O-OD1 3.11Å |
| 61 | L | 94.8 | Very high | 89.9 | Confident | 107 Ų | 107 | 20.8 Ų | 20.8 | 56% | 0.56 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -4.4 | 177.4 | -68.4 | 172.9 | 0 | 0 | 0 | 113.7 | K57 Q58 I59 R63 | K57-L61 HydrophobicContact CG-CD1 4.23Å; K57-L61 HydrophobicContact CG-CG 4.42Å; K57-L61 VanDerWaalsContact O-CG 3.26Å; K57-L61 WeakPolarHBondContact O-CG 3.19Å; K57-L61 PolarHBondContact O-N 3.06Å; Q58-L61 PolarHBondContact O-N 3.32Å; I59-L61 VanDerWaalsContact C-N 3.29Å; I59-L61 PolarHBondContact O-N 3.43Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 HydrophobicContact CB-CG 4.38Å |
| 62 | G | 93.9 | Very high | 89 | Confident | 37 Ų | 37 | 21.6 Ų | 21.6 | 38% | 0.381 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 13.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q58 I59 I60 Q211 | Q58-G62 PolarHBondContact O-N 3.27Å; I59-G62 PolarHBondContact O-N 3.06Å; I60-G62 PolarHBondContact O-N 2.79Å; I60-G62 VanDerWaalsContact O-N 3.16Å; G62-Q211 VanDerWaalsContact C-NE2 3.3Å |
| 63 | R | 93.9 | Very high | 88 | Confident | 78 Ų | 78 | 22.7 Ų | 22.7 | 29% | 0.294 | 13% | 0.128 | S | C | . | . | trans | -78.8 | 143.6 | 177.5 | -57.9 | -155.9 | -56.9 | -168 | 7.7 | 110.9 | E19 Q58 L61 Q211 V235 | E19-R63 IonicContact OE1-CZ 2.89Å; E19-R63 IonicContact OE1-NH1 3.97Å; E19-R63 PolarHBondContact OE1-NH1 3.36Å; E19-R63 IonicContact OE1-NH2 3.71Å; E19-R63 PolarHBondContact OE1-NH2 3.13Å; E19-R63 IonicContact OE2-NH1 3.79Å; Q58-R63 PolarHBondContact O-N 3.28Å; L61-R63 VanDerWaalsContact C-N 3.32Å; L61-R63 HydrophobicContact CB-CG 4.38Å; R63-Q211 WeakPolarHBondContact O-CG 3.25Å; R63-Q211 PolarHBondContact O-NE2 2.83Å; R63-V235 HydrophobicContact CB-CG2 4.1Å | ||
| 64 | D | 95.3 | Very high | 87.5 | Confident | 16 Ų | 16 | 21.3 Ų | 21.3 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | trans | -61.5 | 146.4 | 169.4 | -74.5 | 2.6 | 0 | 0 | 0 | 109.9 | Q211 I212 T231 S232 P234 V235 | D64-Q211 WeakPolarHBondContact OD1-CA 3.36Å; D64-I212 VanDerWaalsContact CA-O 3.25Å; D64-I212 WeakPolarHBondContact CA-O 3.25Å; D64-I212 PolarHBondContact OD1-N 3.22Å; D64-T231 HydrophobicContact CB-CG2 4.13Å; D64-T231 VanDerWaalsContact OD2-CA 3.27Å; D64-T231 WeakPolarHBondContact OD2-CA 3.48Å; D64-T231 WeakPolarHBondContact OD2-CB 3.23Å; D64-S232 PolarHBondContact OD2-N 3.02Å; D64-P234 HydrophobicContact CB-CB 3.98Å; D64-P234 CarbonylContact O-C 3.59Å; D64-P234 WeakPolarHBondContact O-CA 3.2Å; D64-V235 PolarHBondContact O-N 3.33Å | ||
| 65 | L | 95.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 129.4 | -175.4 | 175.6 | 68.6 | 0 | 0 | 0 | 109.6 | T55 I59 A67 I212 V213 I214 V235 V237 | T55-L65 HydrophobicContact CG2-CD1 4.02Å; T55-L65 HydrophobicContact CG2-CD2 4.21Å; I59-L65 HydrophobicContact CD1-CD2 3.77Å; I59-L65 HydrophobicContact CG1-CD2 3.7Å; L65-A67 HydrophobicContact CD1-CB 4.3Å; L65-A67 HydrophobicContact CD2-CB 4.3Å; L65-A67 HydrophobicContact CG-CB 4.17Å; L65-I212 PolarHBondContact N-O 2.82Å; L65-V213 HydrophobicContact CB-CG1 4.27Å; L65-V213 HydrophobicContact CB-CG2 4.41Å; L65-V213 HydrophobicContact CD2-CG1 4.09Å; L65-V213 CarbonylContact O-C 3.59Å; L65-V213 WeakPolarHBondContact O-CA 3.38Å; L65-I214 PolarHBondContact O-N 3.45Å; L65-V235 WeakPolarHBondContact CA-O 3.22Å; L65-V235 HydrophobicContact CD1-CB 3.96Å; L65-V235 HydrophobicContact CD1-CG1 4.16Å; L65-V235 WeakPolarHBondContact CD1-O 3.49Å; L65-V237 HydrophobicContact CD1-CG2 4.1Å |
| 66 | I | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 108.4 | 164.4 | -61.2 | 174.6 | 0 | 0 | 0 | 106.4 | I214 M219 L224 F227 Q228 T231 P234 V235 C236 V237 L238 | I66-I214 WeakPolarHBondContact CA-O 3.48Å; I66-I214 HydrophobicContact CG1-CB 4.33Å; I66-I214 HydrophobicContact CG1-CD1 4.47Å; I66-M219 HydrophobicContact CG2-CE 3.59Å; I66-M219 HydrophobicContact CG2-SD 4.14Å; I66-L224 HydrophobicContact CD1-CD1 4.33Å; I66-L224 HydrophobicContact CG2-CD1 4.12Å; I66-F227 HydrophobicContact CD1-CB 3.95Å; I66-Q228 HydrophobicContact CD1-CG 3.96Å; I66-T231 HydrophobicContact CG1-CG2 4.38Å; I66-P234 HydrophobicContact CD1-CB 4.05Å; I66-P234 HydrophobicContact CD1-CG 3.76Å; I66-P234 HydrophobicContact CG1-CB 3.94Å; I66-P234 HydrophobicContact CG1-CG 4.22Å; I66-V235 PolarHBondContact N-O 3.24Å; I66-C236 CarbonylContact O-C 3.55Å; I66-C236 WeakPolarHBondContact O-CA 3.15Å; I66-V237 PolarHBondContact O-N 3.49Å; I66-L238 HydrophobicContact CG2-CD2 4.5Å |
| 67 | A | 91.4 | Very high | 87.2 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 120.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | I51 L65 I214 I215 S216 V237 | I51-A67 HydrophobicContact CD1-CB 4.37Å; L65-A67 HydrophobicContact CD1-CB 4.3Å; L65-A67 HydrophobicContact CD2-CB 4.3Å; L65-A67 HydrophobicContact CG-CB 4.17Å; A67-I214 PolarHBondContact N-O 2.91Å; A67-I215 HydrophobicContact CB-CD1 3.77Å; A67-I215 WeakPolarHBondContact O-CA 3.5Å; A67-S216 PolarHBondContact O-N 3.19Å; A67-S216 VanDerWaalsContact O-N 3.1Å; A67-V237 CarbonylContact C-O 3.59Å; A67-V237 WeakPolarHBondContact CA-O 3.45Å; A67-V237 HydrophobicContact CB-CB 4.36Å |
| 68 | Q | 86.9 | Confident | 87.2 | Confident | 11 Ų | 11 | 21.4 Ų | 21.4 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 125.5 | 163.9 | -170.9 | 178 | 2.3 | 0 | 0 | 108.3 | S216 A217 M219 V237 L238 V239 L244 | Q68-S216 WeakPolarHBondContact CA-O 3.25Å; Q68-A217 PolarHBondContact NE2-O 3.07Å; Q68-M219 HydrophobicContact CB-CE 3.91Å; Q68-M219 HydrophobicContact CG-CB 4.37Å; Q68-V237 PolarHBondContact N-O 2.85Å; Q68-L238 HydrophobicContact CB-CD2 4Å; Q68-V239 PolarHBondContact OE1-O 3.25Å; Q68-L244 HydrophobicContact CG-CD2 4.26Å |
| 69 | A | 76.9 | Confident | 87.3 | Confident | 3 Ų | 3 | 20.9 Ų | 20.9 | 3% | 0.025 | 13% | 0.126 | C | C | . | . | trans | -153.5 | 151.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I51 K75 S216 A217 | I51-A69 HydrophobicContact CG1-CB 4.3Å; A69-K75 HydrophobicContact CB-CD 3.37Å; A69-K75 HydrophobicContact CB-CG 3.74Å; A69-K75 VanDerWaalsContact O-CD 3.31Å; A69-K75 WeakPolarHBondContact O-CD 2.78Å; A69-K75 PolarHBondContact O-NZ 3.31Å; A69-S216 PolarHBondContact N-O 3.41Å; A69-A217 WeakPolarHBondContact O-CA 3.33Å | ||
| 70 | Q | 69.7 | Low | 87.3 | Confident | 21 Ų | 21 | 20.9 Ų | 20.9 | 10% | 0.098 | 13% | 0.126 | C | C | . | . | trans | -67.5 | 166 | -179.7 | -59.1 | 177.4 | 4.4 | 0 | 0 | 112 | T73 K75 E243 L244 S245 L246 | Q70-T73 HydrophobicContact CB-CG2 4.01Å; Q70-T73 PolarHBondContact O-OG1 3.08Å; Q70-K75 VanDerWaalsContact C-NZ 3.29Å; Q70-K75 WeakPolarHBondContact O-CE 3.44Å; Q70-K75 PolarHBondContact O-NZ 3.49Å; Q70-E243 PolarHBondContact NE2-O 3.44Å; Q70-L244 VanDerWaalsContact CD-O 3.3Å; Q70-L244 PolarHBondContact NE2-O 3.07Å; Q70-S245 PolarHBondContact NE2-O 3.09Å; Q70-L246 HydrophobicContact CB-CD2 4.39Å | ||
| 71 | S | 66 | Low | 87.3 | Confident | 20 Ų | 20 | 19.9 Ų | 19.9 | 14% | 0.14 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 143.6 | 172.7 | -71.1 | 0 | 0 | 0 | 0 | 110.8 | T73 | S71-T73 VanDerWaalsContact C-N 3.34Å; S71-T73 PolarHBondContact O-N 2.93Å |
| 72 | G | 67.2 | Low | 87.4 | Confident | 24 Ų | 24 | 14.8 Ų | 14.8 | 25% | 0.247 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 0.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | G74 | G72-G74 VanDerWaalsContact C-N 3.26Å; G72-G74 PolarHBondContact O-N 3.08Å |
| 73 | T | 71.2 | Confident | 87.6 | Confident | 32 Ų | 32 | 13 Ų | 13 | 20% | 0.196 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -83.7 | 6 | 179.6 | 56.5 | 0 | 0 | 0 | 0 | 114.3 | S49 I51 Q70 S71 K75 | S49-T73 WeakPolarHBondContact CB-O 3.39Å; S49-T73 PolarHBondContact OG-O 3.22Å; I51-T73 WeakPolarHBondContact CG2-O 3.39Å; Q70-T73 HydrophobicContact CB-CG2 4.01Å; Q70-T73 PolarHBondContact O-OG1 3.08Å; S71-T73 VanDerWaalsContact C-N 3.34Å; S71-T73 PolarHBondContact O-N 2.93Å; T73-K75 WeakPolarHBondContact OG1-CG 3.37Å |
| 74 | G | 80.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 9.3 Ų | 9.3 | 14% | 0.144 | 6% | 0.062 | C | C | . | . | S | Bend | trans | 86 | 22.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q52 G72 T76 A77 T78 | Q52-G74 PolarHBondContact NE2-O 2.96Å; G72-G74 VanDerWaalsContact C-N 3.26Å; G72-G74 PolarHBondContact O-N 3.08Å; G74-T76 PolarHBondContact O-N 2.91Å; G74-A77 PolarHBondContact O-N 3.06Å; G74-T78 PolarHBondContact O-N 3.26Å; G74-T78 PolarHBondContact O-OG1 3.35Å |
| 75 | K | 87 | Confident | 87.9 | Confident | 19 Ų | 19 | 9.6 Ų | 9.6 | 8% | 0.083 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -59.7 | -44.6 | 179.8 | -51 | -178.2 | -56.5 | -139.6 | 0 | 113.3 | A69 Q70 T73 A77 T78 F79 I215 | A69-K75 HydrophobicContact CB-CD 3.37Å; A69-K75 HydrophobicContact CB-CG 3.74Å; A69-K75 VanDerWaalsContact O-CD 3.31Å; A69-K75 WeakPolarHBondContact O-CD 2.78Å; A69-K75 PolarHBondContact O-NZ 3.31Å; Q70-K75 VanDerWaalsContact C-NZ 3.29Å; Q70-K75 WeakPolarHBondContact O-CE 3.44Å; Q70-K75 PolarHBondContact O-NZ 3.49Å; T73-K75 WeakPolarHBondContact OG1-CG 3.37Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.46Å; K75-T78 WeakPolarHBondContact O-CA 3.01Å; K75-T78 WeakPolarHBondContact O-CB 3.4Å; K75-T78 PolarHBondContact O-N 3.3Å; K75-F79 WeakPolarHBondContact O-CD1 2.89Å; K75-F79 PolarHBondContact O-N 2.89Å; K75-I215 HydrophobicContact CB-CG2 3.78Å; K75-I215 HydrophobicContact CD-CG2 3.72Å; K75-I215 HydrophobicContact CG-CG2 4.24Å |
| 76 | T | 91.3 | Very high | 88 | Confident | 25 Ų | 25 | 11.7 Ų | 11.7 | 15% | 0.153 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.2 | -45.9 | 177.6 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | G74 T78 F79 S80 I109 V112 | G74-T76 PolarHBondContact O-N 2.91Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 2.93Å; T76-F79 VanDerWaalsContact CA-CE1 3.45Å; T76-F79 HydrophobicContact CG2-CE1 4.37Å; T76-F79 HydrophobicContact CG2-CZ 3.91Å; T76-S80 WeakPolarHBondContact O-CB 3.27Å; T76-S80 PolarHBondContact O-N 3.25Å; T76-S80 VanDerWaalsContact O-N 3.09Å; T76-S80 PolarHBondContact O-OG 3.31Å; T76-I109 HydrophobicContact CG2-CB 4.35Å; T76-I109 HydrophobicContact CG2-CG1 3.84Å; T76-I109 HydrophobicContact CG2-CG2 4.48Å; T76-V112 HydrophobicContact CG2-CB 4.29Å; T76-V112 HydrophobicContact CG2-CG1 4.3Å; T76-V112 HydrophobicContact CG2-CG2 4.28Å |
| 77 | A | 93.2 | Very high | 88.2 | Confident | 5 Ų | 5 | 11.7 Ų | 11.7 | 4% | 0.041 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F45 G74 K75 S80 I81 | F45-A77 HydrophobicContact CE2-CB 3.57Å; F45-A77 HydrophobicContact CZ-CB 3.77Å; G74-A77 PolarHBondContact O-N 3.06Å; K75-A77 VanDerWaalsContact C-N 3.33Å; K75-A77 PolarHBondContact O-N 3.46Å; A77-S80 PolarHBondContact O-N 2.74Å; A77-I81 HydrophobicContact CB-CD1 4.45Å; A77-I81 WeakPolarHBondContact O-CB 3.3Å; A77-I81 WeakPolarHBondContact O-CD1 3.41Å; A77-I81 WeakPolarHBondContact O-CG1 3.29Å; A77-I81 PolarHBondContact O-N 3.44Å |
| 78 | T | 94.5 | Very high | 88.4 | Confident | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.012 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.4 | -59.1 | 179.5 | -58.1 | 0 | 0 | 0 | 0 | 112 | Q52 T55 I56 I59 G74 K75 T76 S80 G82 | Q52-T78 WeakPolarHBondContact CG-OG1 3.32Å; T55-T78 WeakPolarHBondContact OG1-CG2 3.2Å; I56-T78 HydrophobicContact CG1-CG2 3.97Å; I59-T78 HydrophobicContact CD1-CG2 4.17Å; G74-T78 PolarHBondContact O-N 3.26Å; G74-T78 PolarHBondContact O-OG1 3.35Å; K75-T78 WeakPolarHBondContact O-CA 3.01Å; K75-T78 WeakPolarHBondContact O-CB 3.4Å; K75-T78 PolarHBondContact O-N 3.3Å; T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 2.93Å; T78-S80 VanDerWaalsContact C-N 3.33Å; T78-G82 PolarHBondContact O-N 3.42Å; T78-G82 VanDerWaalsContact O-N 3.1Å |
| 79 | F | 96.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -72 | -31 | -179.7 | 68.2 | -109.1 | 0 | 0 | 0 | 112 | I59 K75 T76 T83 V98 I109 V173 D175 V213 I215 | I59-F79 HydrophobicContact CD1-CB 4.1Å; K75-F79 WeakPolarHBondContact O-CD1 2.89Å; K75-F79 PolarHBondContact O-N 2.89Å; T76-F79 VanDerWaalsContact CA-CE1 3.45Å; T76-F79 HydrophobicContact CG2-CE1 4.37Å; T76-F79 HydrophobicContact CG2-CZ 3.91Å; F79-T83 WeakPolarHBondContact O-CB 3.37Å; F79-T83 VanDerWaalsContact O-CG2 3.3Å; F79-T83 WeakPolarHBondContact O-CG2 3.45Å; F79-T83 PolarHBondContact O-N 3.26Å; F79-T83 PolarHBondContact O-OG1 2.76Å; F79-V98 HydrophobicContact CE2-CG1 3.94Å; F79-V98 HydrophobicContact CE2-CG2 4.3Å; F79-V98 HydrophobicContact CZ-CG1 4.15Å; F79-I109 HydrophobicContact CE2-CG2 3.81Å; F79-I109 HydrophobicContact CZ-CD1 4.12Å; F79-I109 HydrophobicContact CZ-CG1 4.12Å; F79-I109 HydrophobicContact CZ-CG2 3.9Å; F79-V173 HydrophobicContact CB-CG1 4.05Å; F79-V173 HydrophobicContact CB-CG2 4.46Å; F79-V173 HydrophobicContact CD1-CG1 3.97Å; F79-V173 HydrophobicContact CD2-CB 4.49Å; F79-V173 HydrophobicContact CD2-CG1 3.8Å; F79-V173 HydrophobicContact CD2-CG2 4.31Å; F79-V173 HydrophobicContact CE1-CG1 4.27Å; F79-V173 HydrophobicContact CE2-CG1 4.2Å; F79-V173 HydrophobicContact CG-CG1 3.69Å; F79-V173 HydrophobicContact CZ-CG1 4.4Å; F79-D175 HydrophobicContact CE1-CB 4.09Å; F79-D175 HydrophobicContact CZ-CB 4.31Å; F79-V213 HydrophobicContact CB-CG1 4.23Å; F79-I215 HydrophobicContact CD1-CG1 3.95Å |
| 80 | S | 97.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.1 | -51.5 | 178 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | T76 A77 T78 T83 L84 M113 | T76-S80 WeakPolarHBondContact O-CB 3.27Å; T76-S80 PolarHBondContact O-N 3.25Å; T76-S80 VanDerWaalsContact O-N 3.09Å; T76-S80 PolarHBondContact O-OG 3.31Å; A77-S80 PolarHBondContact O-N 2.74Å; T78-S80 VanDerWaalsContact C-N 3.33Å; S80-T83 PolarHBondContact O-OG1 3.01Å; S80-L84 WeakPolarHBondContact O-CB 3.42Å; S80-L84 WeakPolarHBondContact O-CD1 3.1Å; S80-L84 WeakPolarHBondContact O-CG 3.03Å; S80-L84 PolarHBondContact O-N 2.79Å; S80-M113 VanDerWaalsContact OG-CG 3.26Å; S80-M113 WeakPolarHBondContact OG-CG 3.18Å |
| 81 | I | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.9 | -48.9 | 178.2 | -66.7 | 166.5 | 0 | 0 | 0 | 110.5 | F27 L32 L36 I40 I56 A77 T83 Q85 L116 | F27-I81 HydrophobicContact CD1-CD1 4.28Å; F27-I81 HydrophobicContact CE1-CD1 3.75Å; F27-I81 HydrophobicContact CZ-CD1 4.48Å; L32-I81 HydrophobicContact CD1-CG2 3.91Å; L32-I81 HydrophobicContact CD2-CG2 3.96Å; L36-I81 HydrophobicContact CD2-CG2 4.24Å; I40-I81 HydrophobicContact CD1-CD1 3.78Å; I40-I81 HydrophobicContact CD1-CG1 3.88Å; I40-I81 HydrophobicContact CD1-CG2 3.89Å; I40-I81 HydrophobicContact CG1-CD1 3.95Å; I40-I81 HydrophobicContact CG1-CG1 4.03Å; I56-I81 HydrophobicContact CD1-CB 4.27Å; I56-I81 HydrophobicContact CD1-CD1 4.04Å; I56-I81 HydrophobicContact CD1-CG2 4.18Å; I56-I81 HydrophobicContact CG2-CG2 3.9Å; A77-I81 HydrophobicContact CB-CD1 4.45Å; A77-I81 WeakPolarHBondContact O-CB 3.3Å; A77-I81 WeakPolarHBondContact O-CD1 3.41Å; A77-I81 WeakPolarHBondContact O-CG1 3.29Å; A77-I81 PolarHBondContact O-N 3.44Å; I81-T83 PolarHBondContact O-N 3.42Å; I81-Q85 WeakPolarHBondContact O-CB 3.43Å; I81-Q85 PolarHBondContact O-N 2.82Å; I81-Q85 VanDerWaalsContact O-N 3.11Å; I81-L116 HydrophobicContact CG1-CD1 3.94Å |
| 82 | G | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I59 T78 | I59-G82 VanDerWaalsContact CG2-C 3.48Å; T78-G82 PolarHBondContact O-N 3.42Å; T78-G82 VanDerWaalsContact O-N 3.1Å |
| 83 | T | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -76.7 | -41.8 | -179.5 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | I59 F79 S80 I81 Q85 N86 I87 V96 V173 | I59-T83 HydrophobicContact CG2-CG2 3.97Å; F79-T83 WeakPolarHBondContact O-CB 3.37Å; F79-T83 VanDerWaalsContact O-CG2 3.3Å; F79-T83 WeakPolarHBondContact O-CG2 3.45Å; F79-T83 PolarHBondContact O-N 3.26Å; F79-T83 PolarHBondContact O-OG1 2.76Å; S80-T83 PolarHBondContact O-OG1 3.01Å; I81-T83 PolarHBondContact O-N 3.42Å; T83-Q85 PolarHBondContact O-N 2.81Å; T83-N86 PolarHBondContact O-N 2.83Å; T83-I87 PolarHBondContact O-N 2.77Å; T83-V96 HydrophobicContact CG2-CG1 4.25Å; T83-V173 HydrophobicContact CG2-CG2 3.88Å |
| 84 | L | 98.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58 | -36.3 | 176 | -74.6 | 173.8 | 0 | 0 | 0 | 112.3 | L36 S80 N86 I87 M113 L116 L120 I122 V147 | L36-L84 HydrophobicContact CD1-CB 4.18Å; L36-L84 HydrophobicContact CD1-CD1 4.17Å; L36-L84 HydrophobicContact CD2-CB 4.4Å; S80-L84 WeakPolarHBondContact O-CB 3.42Å; S80-L84 WeakPolarHBondContact O-CD1 3.1Å; S80-L84 WeakPolarHBondContact O-CG 3.03Å; S80-L84 PolarHBondContact O-N 2.79Å; L84-N86 PolarHBondContact O-N 2.87Å; L84-I87 HydrophobicContact CD2-CD1 3.97Å; L84-I87 PolarHBondContact O-N 3.01Å; L84-M113 HydrophobicContact CD2-CE 4.18Å; L84-M113 HydrophobicContact CG-CE 4.18Å; L84-L116 HydrophobicContact CD1-CB 3.74Å; L84-L120 HydrophobicContact CB-CD1 4.42Å; L84-I122 HydrophobicContact CD2-CD1 4.18Å; L84-I122 HydrophobicContact CD2-CG2 4.05Å; L84-V147 HydrophobicContact CD2-CG2 4.31Å |
| 85 | Q | 97.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 11% | 0.107 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.1 | -36.4 | 176.5 | 177.8 | 60 | 17.8 | 0 | 0 | 112.5 | G31 L32 K33 L36 I60 I81 T83 | G31-Q85 PolarHBondContact O-NE2 3.47Å; L32-Q85 HydrophobicContact CD2-CB 4.45Å; L32-Q85 HydrophobicContact CD2-CG 4.29Å; K33-Q85 VanDerWaalsContact CE-O 3.27Å; K33-Q85 WeakPolarHBondContact CE-O 3.47Å; K33-Q85 PolarHBondContact NZ-O 2.86Å; L36-Q85 HydrophobicContact CD2-CB 3.88Å; I60-Q85 HydrophobicContact CB-CG 4.49Å; I60-Q85 HydrophobicContact CD1-CB 4.38Å; I60-Q85 HydrophobicContact CD1-CG 4.01Å; I60-Q85 HydrophobicContact CG1-CB 3.99Å; I60-Q85 HydrophobicContact CG1-CG 3.81Å; I60-Q85 HydrophobicContact CG2-CG 3.94Å; I81-Q85 WeakPolarHBondContact O-CB 3.43Å; I81-Q85 PolarHBondContact O-N 2.82Å; I81-Q85 VanDerWaalsContact O-N 3.11Å; T83-Q85 PolarHBondContact O-N 2.81Å |
| 86 | N | 96.5 | Very high | 96.2 | Very high | 44 Ų | 44 | 26 Ų | 26 | 24% | 0.235 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -91 | -6.3 | -174.3 | -73.5 | -11.9 | 0 | 0 | 0 | 114.5 | I59 I60 T83 L84 | I59-N86 PolarHBondContact O-ND2 2.89Å; I60-N86 PolarHBondContact O-ND2 3.43Å; I60-N86 PolarHBondContact O-OD1 3.11Å; T83-N86 PolarHBondContact O-N 2.83Å; L84-N86 PolarHBondContact O-N 2.87Å |
| 87 | I | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | -69.8 | 137.6 | 176.6 | -66 | 176.3 | 0 | 0 | 0 | 110.1 | K33 T83 L84 P89 Q95 V96 I122 H146 V147 | K33-I87 PolarHBondContact NZ-O 2.87Å; T83-I87 PolarHBondContact O-N 2.77Å; L84-I87 HydrophobicContact CD2-CD1 3.97Å; L84-I87 PolarHBondContact O-N 3.01Å; I87-P89 WeakPolarHBondContact O-CD 3.45Å; I87-Q95 HydrophobicContact CG1-CB 4.35Å; I87-V96 HydrophobicContact CD1-CB 4.45Å; I87-V96 HydrophobicContact CD1-CG2 3.68Å; I87-V96 HydrophobicContact CG1-CG2 3.74Å; I87-I122 HydrophobicContact CB-CD1 3.8Å; I87-I122 HydrophobicContact CD1-CD1 4.18Å; I87-I122 HydrophobicContact CD1-CG2 4.12Å; I87-I122 HydrophobicContact CG2-CD1 3.72Å; I87-I122 HydrophobicContact CG2-CG1 3.89Å; I87-H146 HydrophobicContact CD1-CB 4.5Å; I87-H146 HydrophobicContact CG2-CB 4.08Å; I87-V147 HydrophobicContact CD1-CG2 3.4Å | ||
| 88 | L | 96.5 | Very high | 96.8 | Very high | 56 Ų | 56 | 24.5 Ų | 24.5 | 29% | 0.293 | 13% | 0.129 | S | C | . | . | trans | -95.2 | 102.7 | 169.8 | -68.7 | -167.7 | 0 | 0 | 0 | 109.7 | E90 I91 Q95 | L88-E90 VanDerWaalsContact C-OE2 3.26Å; L88-E90 WeakPolarHBondContact CB-OE1 3.28Å; L88-E90 WeakPolarHBondContact CD1-OE1 3.42Å; L88-E90 PolarHBondContact O-N 2.84Å; L88-I91 HydrophobicContact CB-CD1 4.19Å; L88-I91 HydrophobicContact CB-CG1 4.18Å; L88-I91 HydrophobicContact CD1-CD1 3.8Å; L88-I91 PolarHBondContact O-N 2.78Å; L88-I91 VanDerWaalsContact O-N 3.13Å; L88-Q95 PolarHBondContact O-NE2 2.82Å | ||
| 89 | P | 95.5 | Very high | 96.9 | Very high | 39 Ų | 39 | 24.5 Ų | 24.5 | 25% | 0.253 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -21.2 | -174 | -21.6 | 34.6 | 0 | 0 | 0 | 114.7 | I87 I91 I122 H146 | I87-P89 WeakPolarHBondContact O-CD 3.45Å; P89-I91 VanDerWaalsContact C-N 3.28Å; P89-I122 HydrophobicContact CB-CG1 4.44Å; P89-I122 HydrophobicContact CG-CG1 4.24Å; P89-H146 PolarHBondContact O-NE2 2.65Å; P89-H146 VanDerWaalsContact O-NE2 3.12Å |
| 90 | E | 95.5 | Very high | 96.8 | Very high | 133 Ų | 133 | 24.5 Ų | 24.5 | 62% | 0.621 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -21 | 177.2 | 70.7 | -77.2 | -175.5 | 0 | 0 | 112.8 | L88 C92 | L88-E90 VanDerWaalsContact C-OE2 3.26Å; L88-E90 WeakPolarHBondContact CB-OE1 3.28Å; L88-E90 WeakPolarHBondContact CD1-OE1 3.42Å; L88-E90 PolarHBondContact O-N 2.84Å; E90-C92 PolarHBondContact O-N 3.24Å |
| 91 | I | 95.3 | Very high | 96.5 | Very high | 46 Ų | 46 | 25 Ų | 25 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | trans | -96 | 92.5 | 176.9 | -52.6 | -177.1 | 0 | 0 | 0 | 108.6 | L88 P89 Q93 Q95 H146 K168 | L88-I91 HydrophobicContact CB-CD1 4.19Å; L88-I91 HydrophobicContact CB-CG1 4.18Å; L88-I91 HydrophobicContact CD1-CD1 3.8Å; L88-I91 PolarHBondContact O-N 2.78Å; L88-I91 VanDerWaalsContact O-N 3.13Å; P89-I91 VanDerWaalsContact C-N 3.28Å; I91-Q93 HydrophobicContact CG2-CB 4.09Å; I91-Q93 HydrophobicContact CG2-CG 4.24Å; I91-Q93 PolarHBondContact O-N 2.86Å; I91-Q95 PolarHBondContact O-NE2 2.59Å; I91-H146 PolarHBondContact O-CD2 3.06Å; I91-H146 PolarHBondContact O-NE2 3.49Å; I91-K168 HydrophobicContact CG2-CG 4.29Å | ||
| 92 | C | 94.1 | Very high | 96 | Very high | 68 Ų | 68 | 25.2 Ų | 25.2 | 46% | 0.459 | 13% | 0.133 | S | C | . | . | trans | -69.6 | 50.6 | 176.3 | -71.5 | 0 | 0 | 0 | 0 | 113.7 | E90 | E90-C92 PolarHBondContact O-N 3.24Š| ||
| 93 | Q | 95.6 | Very high | 95.4 | Very high | 94 Ų | 94 | 26.8 Ų | 26.8 | 44% | 0.439 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -135.3 | 158.7 | 176.9 | -58.9 | -173.2 | -54.7 | 0 | 0 | 109.7 | I91 Q95 V145 K168 | I91-Q93 HydrophobicContact CG2-CB 4.09Å; I91-Q93 HydrophobicContact CG2-CG 4.24Å; I91-Q93 PolarHBondContact O-N 2.86Å; Q93-Q95 PolarHBondContact O-N 2.96Å; Q93-Q95 VanDerWaalsContact O-N 3.16Å; Q93-V145 CarbonylContact C-O 3.54Å; Q93-V145 WeakPolarHBondContact CA-O 3.44Å; Q93-V145 VanDerWaalsContact O-O 3.05Å; Q93-K168 HydrophobicContact CB-CB 4.21Å; Q93-K168 HydrophobicContact CB-CG 4.16Å |
| 94 | I | 97.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 5% | 0.046 | 15% | 0.146 | C | C | . | . | trans | -64 | 119.4 | -176.1 | -60.9 | 168.1 | 0 | 0 | 0 | 109.2 | L141 V145 V148 I164 L166 K168 L169 | I94-L141 HydrophobicContact CD1-CD2 4.44Å; I94-V145 WeakPolarHBondContact CA-O 3.5Å; I94-V145 HydrophobicContact CD1-CG2 4.1Å; I94-V145 HydrophobicContact CG1-CG2 3.58Å; I94-V145 PolarHBondContact N-O 3.3Å; I94-V148 HydrophobicContact CD1-CG2 3.68Å; I94-V148 HydrophobicContact CG1-CG2 3.95Å; I94-V148 HydrophobicContact CG2-CG2 4.27Å; I94-I164 HydrophobicContact CD1-CB 4.26Å; I94-I164 HydrophobicContact CD1-CG1 4.23Å; I94-I164 HydrophobicContact CD1-CG2 3.71Å; I94-L166 HydrophobicContact CG2-CD2 4.2Å; I94-K168 CarbonylContact O-C 3.56Å; I94-K168 VanDerWaalsContact O-C 3.28Å; I94-L169 HydrophobicContact CG2-CD1 4.16Å; I94-L169 PolarHBondContact O-N 2.83Å | ||
| 95 | Q | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -115 | -23.2 | 179.5 | -73.6 | 176.5 | 73.8 | 0 | 0 | 112.1 | I87 L88 I91 Q93 H146 R170 S171 | I87-Q95 HydrophobicContact CG1-CB 4.35Å; L88-Q95 PolarHBondContact O-NE2 2.82Å; I91-Q95 PolarHBondContact O-NE2 2.59Å; Q93-Q95 PolarHBondContact O-N 2.96Å; Q93-Q95 VanDerWaalsContact O-N 3.16Å; Q95-H146 PolarHBondContact N-O 2.7Å; Q95-R170 HydrophobicContact CB-CG 4.37Å; Q95-R170 HydrophobicContact CG-CG 4.46Å; Q95-R170 WeakPolarHBondContact O-CA 3.44Å; Q95-R170 WeakPolarHBondContact O-CB 3.39Å; Q95-R170 PolarHBondContact O-N 3.28Å; Q95-S171 PolarHBondContact O-N 3.15Å; Q95-S171 VanDerWaalsContact O-N 3.15Å | ||
| 96 | V | 98.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.5 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 110 | T83 I87 V98 M113 H146 V147 V148 S171 | T83-V96 HydrophobicContact CG2-CG1 4.25Å; I87-V96 HydrophobicContact CD1-CB 4.45Å; I87-V96 HydrophobicContact CD1-CG2 3.68Å; I87-V96 HydrophobicContact CG1-CG2 3.74Å; V96-V98 HydrophobicContact CG1-CG2 3.96Å; V96-M113 HydrophobicContact CG1-CE 4.36Å; V96-H146 PolarHBondContact N-O 3.15Å; V96-H146 VanDerWaalsContact N-O 3.09Å; V96-V147 HydrophobicContact CB-CG1 4.29Å; V96-V147 HydrophobicContact CB-CG2 4.21Å; V96-V147 HydrophobicContact CG1-CG1 4.39Å; V96-V147 WeakPolarHBondContact O-CA 3.41Å; V96-V148 PolarHBondContact O-N 3.09Å; V96-S171 WeakPolarHBondContact CA-O 3.47Å |
| 97 | L | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 122.1 | 171.9 | 176.4 | 58.9 | 0 | 0 | 0 | 108.5 | L99 V148 V155 L166 L169 S171 L172 V173 I192 | L97-L99 HydrophobicContact CD1-CD2 3.98Å; L97-L99 HydrophobicContact CD2-CD2 4.35Å; L97-L99 HydrophobicContact CG-CD2 4.09Å; L97-L99 HydrophobicContact CG-CG 4.39Å; L97-V148 CarbonylContact C-O 3.59Å; L97-V148 WeakPolarHBondContact CA-O 3.49Å; L97-V148 HydrophobicContact CD1-CB 3.98Å; L97-V148 HydrophobicContact CD1-CG1 3.79Å; L97-V155 HydrophobicContact CD1-CG1 3.94Å; L97-V155 HydrophobicContact CD1-CG2 4.28Å; L97-V155 HydrophobicContact CD2-CG1 4.14Å; L97-L166 HydrophobicContact CD2-CD1 4.4Å; L97-L166 HydrophobicContact CD2-CD2 4.31Å; L97-L169 HydrophobicContact CB-CD1 3.69Å; L97-S171 PolarHBondContact N-O 3.45Å; L97-L172 HydrophobicContact CB-CD1 4.13Å; L97-L172 HydrophobicContact CD2-CD1 3.92Å; L97-L172 HydrophobicContact CG-CD1 3.89Å; L97-L172 CarbonylContact O-C 3.56Å; L97-L172 WeakPolarHBondContact O-CA 3.21Å; L97-V173 PolarHBondContact O-N 2.87Å; L97-I192 HydrophobicContact CD2-CG2 4.11Å |
| 98 | V | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.5 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 109.5 | F79 V96 I109 M113 V148 V149 G150 V173 | F79-V98 HydrophobicContact CE2-CG1 3.94Å; F79-V98 HydrophobicContact CE2-CG2 4.3Å; F79-V98 HydrophobicContact CZ-CG1 4.15Å; V96-V98 HydrophobicContact CG1-CG2 3.96Å; V98-I109 HydrophobicContact CG1-CD1 4.14Å; V98-I109 HydrophobicContact CG1-CG2 4Å; V98-M113 HydrophobicContact CG2-CE 4.48Å; V98-M113 HydrophobicContact CG2-SD 3.85Å; V98-V148 PolarHBondContact N-O 2.83Å; V98-V149 HydrophobicContact CB-CB 4.45Å; V98-V149 HydrophobicContact CB-CG1 4.19Å; V98-V149 HydrophobicContact CB-CG2 4.17Å; V98-V149 HydrophobicContact CG1-CG1 4.45Å; V98-V149 HydrophobicContact CG2-CG2 4.31Å; V98-V149 CarbonylContact O-C 3.57Å; V98-V149 WeakPolarHBondContact O-CA 3.13Å; V98-G150 PolarHBondContact O-N 3.13Å; V98-V173 WeakPolarHBondContact CA-O 3.19Å; V98-V173 HydrophobicContact CB-CB 4.29Å; V98-V173 HydrophobicContact CG1-CB 4.01Å; V98-V173 HydrophobicContact CG1-CG1 4.14Å; V98-V173 HydrophobicContact CG2-CB 4.02Å; V98-V173 HydrophobicContact CG2-CG2 4.17Å |
| 99 | L | 97.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.5 | 176.6 | -57.1 | -177.4 | 0 | 0 | 0 | 110 | L97 G150 P152 V155 L172 V173 L174 D175 M180 L189 I192 | L97-L99 HydrophobicContact CD1-CD2 3.98Å; L97-L99 HydrophobicContact CD2-CD2 4.35Å; L97-L99 HydrophobicContact CG-CD2 4.09Å; L97-L99 HydrophobicContact CG-CG 4.39Å; L99-G150 WeakPolarHBondContact CA-O 3.07Å; L99-P152 HydrophobicContact CB-CG 4.46Å; L99-V155 HydrophobicContact CD2-CB 4.1Å; L99-V155 HydrophobicContact CD2-CG1 4.1Å; L99-V155 HydrophobicContact CD2-CG2 3.86Å; L99-L172 HydrophobicContact CD1-CD1 4.13Å; L99-L172 HydrophobicContact CG-CD1 4.17Å; L99-V173 PolarHBondContact N-O 3.36Å; L99-L174 HydrophobicContact CB-CD2 3.93Å; L99-L174 HydrophobicContact CD1-CD2 3.77Å; L99-L174 HydrophobicContact CG-CD2 4.17Å; L99-D175 PolarHBondContact O-N 3.18Å; L99-M180 HydrophobicContact CB-CE 4.48Å; L99-M180 HydrophobicContact CB-SD 4.16Å; L99-L189 HydrophobicContact CD1-CD2 3.6Å; L99-I192 HydrophobicContact CD1-CD1 3.79Å; L99-I192 HydrophobicContact CD1-CG2 4.29Å; L99-I192 HydrophobicContact CD2-CD1 4.34Å |
| 100 | A | 93.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -133.1 | 149.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111 | T102 L105 A106 I109 G150 P152 | A100-T102 VanDerWaalsContact C-N 3.29Å; A100-T102 PolarHBondContact O-N 3.46Å; A100-L105 HydrophobicContact CB-CB 4.23Å; A100-L105 HydrophobicContact CB-CD2 3.98Å; A100-L105 HydrophobicContact CB-CG 3.9Å; A100-A106 HydrophobicContact CB-CB 4.19Å; A100-I109 HydrophobicContact CB-CD1 3.91Å; A100-G150 PolarHBondContact N-O 3.16Å; A100-P152 WeakPolarHBondContact O-CD 3.44Å | ||
| 101 | P | 90 | Very high | 93.1 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -66.3 | -25.5 | -177.3 | 25.1 | -37.4 | 0 | 0 | 0 | 114.4 | L105 D175 E176 E179 M180 | P101-L105 HydrophobicContact CG-CD2 4.23Å; P101-D175 WeakPolarHBondContact CD-O 3.4Å; P101-E176 HydrophobicContact CG-CB 3.76Å; P101-E179 HydrophobicContact CB-CB 4.19Å; P101-E179 HydrophobicContact CB-CG 3.63Å; P101-E179 HydrophobicContact CG-CB 4.06Å; P101-E179 HydrophobicContact CG-CG 3.77Å; P101-M180 HydrophobicContact CB-CG 3.79Å; P101-M180 HydrophobicContact CG-CG 4.33Å |
| 102 | T | 86.6 | Confident | 93 | Very high | 6 Ų | 6 | 24.9 Ų | 24.9 | 4% | 0.037 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -128 | 153.8 | -175.7 | 73.1 | 0 | 0 | 0 | 0 | 111.8 | A100 E104 L105 A106 | A100-T102 VanDerWaalsContact C-N 3.29Å; A100-T102 PolarHBondContact O-N 3.46Å; T102-E104 VanDerWaalsContact C-N 3.29Å; T102-L105 VanDerWaalsContact OG1-CB 3.31Å; T102-L105 WeakPolarHBondContact OG1-CB 2.94Å; T102-L105 PolarHBondContact OG1-N 2.79Å; T102-L105 VanDerWaalsContact OG1-N 3.16Å; T102-A106 WeakPolarHBondContact O-CB 3.49Å; T102-A106 PolarHBondContact O-N 3.04Å; T102-A106 VanDerWaalsContact O-N 3.07Å |
| 103 | R | 85.7 | Confident | 93.2 | Very high | 32 Ų | 32 | 21.7 Ų | 21.7 | 12% | 0.121 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -40.4 | 175.2 | 165.3 | 166.2 | 170.2 | 166 | -5.6 | 110.7 | L105 A106 V107 C128 G129 Q311 E315 | R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.89Å; R103-A106 PolarHBondContact O-N 2.94Å; R103-V107 HydrophobicContact CG-CG2 4.22Å; R103-V107 WeakPolarHBondContact O-CB 2.9Å; R103-V107 VanDerWaalsContact O-CG2 3.31Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.17Å; R103-C128 HydrophobicContact CB-CB 3.92Å; R103-C128 HydrophobicContact CG-CB 3.57Å; R103-G129 VanDerWaalsContact CD-O 3.26Å; R103-G129 WeakPolarHBondContact CD-O 3.19Å; R103-G129 PolarHBondContact NH1-O 3.01Å; R103-Q311 VanDerWaalsContact NE-NE2 3.14Å; R103-Q311 VanDerWaalsContact NH2-CG 3.27Å; R103-E315 IonicContact CZ-OE1 3.89Å; R103-E315 IonicContact NE-OE1 2.88Å; R103-E315 IonicContact NH2-OE1 2.66Å; R103-E315 PolarHBondContact NH2-OE1 3.47Å |
| 104 | E | 82.8 | Confident | 93.3 | Very high | 31 Ų | 31 | 18.6 Ų | 18.6 | 15% | 0.145 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | -177.1 | -64.9 | 74.5 | -165.6 | 0 | 0 | 110.7 | T102 Q108 R314 | T102-E104 VanDerWaalsContact C-N 3.29Å; E104-Q108 PolarHBondContact O-N 2.91Å; E104-R314 IonicContact OE1-NH1 3.91Å; E104-R314 PolarHBondContact OE1-NH1 3.29Å |
| 105 | L | 87.4 | Confident | 93.2 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 174.6 | -179.8 | 56.7 | 0 | 0 | 0 | 111.6 | A100 P101 T102 R103 V107 Q108 I109 E176 | A100-L105 HydrophobicContact CB-CB 4.23Å; A100-L105 HydrophobicContact CB-CD2 3.98Å; A100-L105 HydrophobicContact CB-CG 3.9Å; P101-L105 HydrophobicContact CG-CD2 4.23Å; T102-L105 VanDerWaalsContact OG1-CB 3.31Å; T102-L105 WeakPolarHBondContact OG1-CB 2.94Å; T102-L105 PolarHBondContact OG1-N 2.79Å; T102-L105 VanDerWaalsContact OG1-N 3.16Å; R103-L105 VanDerWaalsContact C-N 3.34Å; R103-L105 PolarHBondContact O-N 2.89Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 3.22Å; L105-Q108 WeakPolarHBondContact O-CB 3.3Å; L105-Q108 PolarHBondContact O-N 3.1Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; L105-I109 HydrophobicContact CD1-CD1 4.14Å; L105-I109 HydrophobicContact CD1-CG1 4.16Å; L105-I109 HydrophobicContact CG-CD1 3.91Å; L105-I109 HydrophobicContact CG-CG1 4.4Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.43Å; L105-E176 HydrophobicContact CD2-CB 4.23Å; L105-E176 HydrophobicContact CD2-CG 3.78Å |
| 106 | A | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A100 T102 R103 I109 H110 C128 V149 | A100-A106 HydrophobicContact CB-CB 4.19Å; T102-A106 WeakPolarHBondContact O-CB 3.49Å; T102-A106 PolarHBondContact O-N 3.04Å; T102-A106 VanDerWaalsContact O-N 3.07Å; R103-A106 PolarHBondContact O-N 2.94Å; A106-I109 PolarHBondContact O-N 3.35Å; A106-H110 WeakPolarHBondContact O-CB 3.27Å; A106-H110 PolarHBondContact O-N 2.69Å; A106-C128 WeakPolarHBondContact CB-SG 3.48Å; A106-V149 HydrophobicContact CB-CG1 4.14Å; A106-V149 WeakPolarHBondContact O-CG1 3.45Å |
| 107 | V | 90.4 | Very high | 93.1 | Very high | 65 Ų | 65 | 19.5 Ų | 19.5 | 39% | 0.394 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65.3 | -39.5 | 174.2 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | R103 L105 H110 H111 | R103-V107 HydrophobicContact CG-CG2 4.22Å; R103-V107 WeakPolarHBondContact O-CB 2.9Å; R103-V107 VanDerWaalsContact O-CG2 3.31Å; R103-V107 WeakPolarHBondContact O-CG2 3.39Å; R103-V107 PolarHBondContact O-N 3.17Å; L105-V107 VanDerWaalsContact C-N 3.33Å; L105-V107 PolarHBondContact O-N 3.22Å; V107-H110 PolarHBondContact O-N 3.09Å; V107-H111 PolarHBondContact O-N 3.35Å |
| 108 | Q | 89.2 | Confident | 93 | Very high | 34 Ų | 34 | 24.9 Ų | 24.9 | 16% | 0.159 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 175.1 | 176.6 | 174.1 | -17.1 | 0 | 0 | 111.7 | E104 L105 H110 H111 V112 G338 D340 | E104-Q108 PolarHBondContact O-N 2.91Å; L105-Q108 WeakPolarHBondContact O-CB 3.3Å; L105-Q108 PolarHBondContact O-N 3.1Å; L105-Q108 VanDerWaalsContact O-N 3.11Å; Q108-H110 VanDerWaalsContact C-N 3.33Å; Q108-H110 PolarHBondContact O-N 3.37Å; Q108-H111 PolarHBondContact O-N 3.12Å; Q108-V112 WeakPolarHBondContact O-CG2 3.13Å; Q108-V112 PolarHBondContact O-N 2.75Å; Q108-G338 PolarHBondContact OE1-O 3.48Å; Q108-D340 PolarHBondContact NE2-OD2 2.96Å; Q108-D340 VanDerWaalsContact OE1-CB 3.3Å |
| 109 | I | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.9 | -65 | 165.4 | 0 | 0 | 0 | 110.1 | T76 F79 V98 A100 L105 A106 H111 V112 M113 V149 D175 | T76-I109 HydrophobicContact CG2-CB 4.35Å; T76-I109 HydrophobicContact CG2-CG1 3.84Å; T76-I109 HydrophobicContact CG2-CG2 4.48Å; F79-I109 HydrophobicContact CE2-CG2 3.81Å; F79-I109 HydrophobicContact CZ-CD1 4.12Å; F79-I109 HydrophobicContact CZ-CG1 4.12Å; F79-I109 HydrophobicContact CZ-CG2 3.9Å; V98-I109 HydrophobicContact CG1-CD1 4.14Å; V98-I109 HydrophobicContact CG1-CG2 4Å; A100-I109 HydrophobicContact CB-CD1 3.91Å; L105-I109 HydrophobicContact CD1-CD1 4.14Å; L105-I109 HydrophobicContact CD1-CG1 4.16Å; L105-I109 HydrophobicContact CG-CD1 3.91Å; L105-I109 HydrophobicContact CG-CG1 4.4Å; L105-I109 VanDerWaalsContact O-CG1 3.3Å; L105-I109 WeakPolarHBondContact O-CG1 3.47Å; L105-I109 PolarHBondContact O-N 3.43Å; A106-I109 PolarHBondContact O-N 3.35Å; I109-H111 VanDerWaalsContact C-N 3.3Å; I109-H111 PolarHBondContact O-N 3.18Å; I109-V112 PolarHBondContact O-N 2.68Å; I109-M113 HydrophobicContact CG2-CG 4.21Å; I109-M113 HydrophobicContact CG2-SD 4.01Å; I109-M113 WeakPolarHBondContact O-CG 3.28Å; I109-M113 PolarHBondContact O-N 2.7Å; I109-V149 HydrophobicContact CB-CG1 3.77Å; I109-V149 HydrophobicContact CG2-CG1 3.65Å; I109-V149 HydrophobicContact CG2-CG2 4.1Å; I109-D175 HydrophobicContact CD1-CB 3.97Å; I109-D175 WeakPolarHBondContact CD1-OD2 3.49Å |
| 110 | H | 95.7 | Very high | 92.8 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.218 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 176.6 | 169.9 | -104.2 | 0 | 0 | 0 | 112.2 | A106 V107 Q108 S114 C124 A126 V149 | A106-H110 WeakPolarHBondContact O-CB 3.27Å; A106-H110 PolarHBondContact O-N 2.69Å; V107-H110 PolarHBondContact O-N 3.09Å; Q108-H110 VanDerWaalsContact C-N 3.33Å; Q108-H110 PolarHBondContact O-N 3.37Å; H110-S114 PolarHBondContact NE2-OG 3.16Å; H110-S114 VanDerWaalsContact O-CB 3.26Å; H110-S114 WeakPolarHBondContact O-CB 3.11Å; H110-S114 PolarHBondContact O-N 2.77Å; H110-S114 PolarHBondContact O-OG 3.1Å; H110-C124 PolarHBondContact NE2-O 2.98Å; H110-A126 HydrophobicContact CB-CB 3.94Å; H110-V149 HydrophobicContact CB-CB 4.28Å; H110-V149 HydrophobicContact CB-CG2 4.43Å |
| 111 | H | 94.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 34.8 Ų | 34.8 | 51% | 0.505 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.2 | -48.5 | 176.3 | -179.7 | 59.2 | 0 | 0 | 0 | 111.8 | V107 Q108 I109 M113 S114 S115 | V107-H111 PolarHBondContact O-N 3.35Å; Q108-H111 PolarHBondContact O-N 3.12Å; I109-H111 VanDerWaalsContact C-N 3.3Å; I109-H111 PolarHBondContact O-N 3.18Å; H111-M113 PolarHBondContact O-N 3.06Å; H111-S114 PolarHBondContact O-N 3.3Å; H111-S115 PolarHBondContact O-N 3.42Å; H111-S115 PolarHBondContact O-OG 3.4Å |
| 112 | V | 95 | Very high | 93.2 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.055 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 111 | T76 Q108 I109 S114 S115 L116 | T76-V112 HydrophobicContact CG2-CB 4.29Å; T76-V112 HydrophobicContact CG2-CG1 4.3Å; T76-V112 HydrophobicContact CG2-CG2 4.28Å; Q108-V112 WeakPolarHBondContact O-CG2 3.13Å; Q108-V112 PolarHBondContact O-N 2.75Å; I109-V112 PolarHBondContact O-N 2.68Å; V112-S114 VanDerWaalsContact C-N 3.33Å; V112-S114 PolarHBondContact O-N 3.04Å; V112-S115 PolarHBondContact O-N 3.46Å; V112-L116 HydrophobicContact CG1-CD1 3.77Å; V112-L116 HydrophobicContact CG1-CG 4.3Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 VanDerWaalsContact O-CG 3.26Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.96Å |
| 113 | M | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.2 | -38.6 | -179.6 | -69.5 | -169.7 | 79.9 | 0 | 0 | 112.2 | S80 L84 V96 V98 I109 H111 S117 V147 V149 | S80-M113 VanDerWaalsContact OG-CG 3.26Å; S80-M113 WeakPolarHBondContact OG-CG 3.18Å; L84-M113 HydrophobicContact CD2-CE 4.18Å; L84-M113 HydrophobicContact CG-CE 4.18Å; V96-M113 HydrophobicContact CG1-CE 4.36Å; V98-M113 HydrophobicContact CG2-CE 4.48Å; V98-M113 HydrophobicContact CG2-SD 3.85Å; I109-M113 HydrophobicContact CG2-CG 4.21Å; I109-M113 HydrophobicContact CG2-SD 4.01Å; I109-M113 WeakPolarHBondContact O-CG 3.28Å; I109-M113 PolarHBondContact O-N 2.7Å; H111-M113 PolarHBondContact O-N 3.06Å; M113-S117 VanDerWaalsContact O-CB 3.3Å; M113-S117 WeakPolarHBondContact O-CB 3.11Å; M113-S117 PolarHBondContact O-N 2.88Å; M113-S117 VanDerWaalsContact O-N 3.1Å; M113-S117 PolarHBondContact O-OG 2.81Å; M113-V147 HydrophobicContact CE-CB 4.4Å; M113-V147 HydrophobicContact CE-CG1 3.48Å; M113-V147 VanDerWaalsContact CE-CG1 3.48Å; M113-V147 HydrophobicContact CE-CG2 4.06Å; M113-V147 HydrophobicContact SD-CG1 3.73Å; M113-V149 HydrophobicContact SD-CG2 3.88Å |
| 114 | S | 96.9 | Very high | 94.2 | Very high | 29 Ų | 29 | 38.8 Ų | 38.8 | 20% | 0.203 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.4 | -53.2 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | H110 H111 V112 L116 S117 D118 | H110-S114 PolarHBondContact NE2-OG 3.16Å; H110-S114 VanDerWaalsContact O-CB 3.26Å; H110-S114 WeakPolarHBondContact O-CB 3.11Å; H110-S114 PolarHBondContact O-N 2.77Å; H110-S114 PolarHBondContact O-OG 3.1Å; H111-S114 PolarHBondContact O-N 3.3Å; V112-S114 VanDerWaalsContact C-N 3.33Å; V112-S114 PolarHBondContact O-N 3.04Å; S114-L116 PolarHBondContact O-N 3.42Å; S114-S117 CarbonylContact O-C 3.58Å; S114-S117 WeakPolarHBondContact O-CA 3.47Å; S114-S117 PolarHBondContact O-N 3.04Å; S114-S117 PolarHBondContact O-OG 3.28Å; S114-D118 PolarHBondContact O-N 2.96Å; S114-D118 VanDerWaalsContact O-N 3.1Å; S114-D118 VanDerWaalsContact O-OD1 3.09Å |
| 115 | S | 96.2 | Very high | 94.8 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 16% | 0.161 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | -179.4 | -61.6 | 0 | 0 | 0 | 0 | 113.6 | Y43 H111 V112 S117 D118 | Y43-S115 VanDerWaalsContact CD2-CB 3.5Å; H111-S115 PolarHBondContact O-N 3.42Å; H111-S115 PolarHBondContact O-OG 3.4Å; V112-S115 PolarHBondContact O-N 3.46Å; S115-S117 PolarHBondContact O-N 3.29Å; S115-D118 WeakPolarHBondContact O-CB 3.17Å; S115-D118 PolarHBondContact O-N 3.02Å |
| 116 | L | 97.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.8 | -23.8 | 175 | -68.6 | 177.6 | 0 | 0 | 0 | 112.8 | I40 Y43 F45 I81 L84 V112 S114 | I40-L116 HydrophobicContact CB-CD2 4.47Å; I40-L116 HydrophobicContact CG1-CD2 3.96Å; Y43-L116 HydrophobicContact CG-CD2 4.32Å; F45-L116 HydrophobicContact CD2-CD2 4.27Å; F45-L116 HydrophobicContact CE2-CD2 4.14Å; I81-L116 HydrophobicContact CG1-CD1 3.94Å; L84-L116 HydrophobicContact CD1-CB 3.74Å; V112-L116 HydrophobicContact CG1-CD1 3.77Å; V112-L116 HydrophobicContact CG1-CG 4.3Å; V112-L116 WeakPolarHBondContact O-CB 3.49Å; V112-L116 VanDerWaalsContact O-CG 3.26Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.96Å; S114-L116 PolarHBondContact O-N 3.42Å |
| 117 | S | 97 | Very high | 95.2 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 7.7 | 178.6 | 65.1 | 0 | 0 | 0 | 0 | 114.3 | M113 S114 S115 Y119 L120 | M113-S117 VanDerWaalsContact O-CB 3.3Å; M113-S117 WeakPolarHBondContact O-CB 3.11Å; M113-S117 PolarHBondContact O-N 2.88Å; M113-S117 VanDerWaalsContact O-N 3.1Å; M113-S117 PolarHBondContact O-OG 2.81Å; S114-S117 CarbonylContact O-C 3.58Å; S114-S117 WeakPolarHBondContact O-CA 3.47Å; S114-S117 PolarHBondContact O-N 3.04Å; S114-S117 PolarHBondContact O-OG 3.28Å; S115-S117 PolarHBondContact O-N 3.29Å; S117-Y119 PolarHBondContact O-N 3.43Å; S117-L120 CarbonylContact O-C 3.59Å; S117-L120 WeakPolarHBondContact O-CA 3.32Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 3.1Å |
| 118 | D | 95.8 | Very high | 95.1 | Very high | 114 Ų | 114 | 36.4 Ų | 36.4 | 61% | 0.61 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.2 | -177.6 | -78.7 | -14.3 | 0 | 0 | 0 | 113.8 | S114 S115 | S114-D118 PolarHBondContact O-N 2.96Å; S114-D118 VanDerWaalsContact O-N 3.1Å; S114-D118 VanDerWaalsContact O-OD1 3.09Å; S115-D118 WeakPolarHBondContact O-CB 3.17Å; S115-D118 PolarHBondContact O-N 3.02Å |
| 119 | Y | 96.1 | Very high | 94.4 | Very high | 91 Ų | 91 | 36 Ų | 36 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | 4.1 | 176.5 | -56 | -74.3 | 0 | 0 | 0 | 113.7 | N35 K38 A42 S117 | N35-Y119 VanDerWaalsContact CB-O 3.3Å; N35-Y119 WeakPolarHBondContact CB-O 3.31Å; N35-Y119 PolarHBondContact ND2-O 3.39Å; K38-Y119 HydrophobicContact CB-CD2 4.05Å; K38-Y119 HydrophobicContact CB-CE2 4.41Å; K38-Y119 HydrophobicContact CB-CG 4.44Å; K38-Y119 HydrophobicContact CD-CD1 3.81Å; K38-Y119 HydrophobicContact CD-CD2 3.98Å; K38-Y119 HydrophobicContact CD-CE1 3.91Å; K38-Y119 HydrophobicContact CD-CE2 4.06Å; K38-Y119 HydrophobicContact CD-CG 3.84Å; K38-Y119 VanDerWaalsContact CE-CE1 3.45Å; K38-Y119 HydrophobicContact CG-CD2 3.81Å; K38-Y119 HydrophobicContact CG-CE1 4.49Å; K38-Y119 HydrophobicContact CG-CE2 3.75Å; K38-Y119 HydrophobicContact CG-CG 4.19Å; A42-Y119 HydrophobicContact CB-CE2 3.87Å; S117-Y119 PolarHBondContact O-N 3.43Å |
| 120 | L | 94.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 142.8 | 173.9 | -57.1 | 173.2 | 0 | 0 | 0 | 107.9 | N35 L36 L84 S117 I122 | N35-L120 HydrophobicContact CB-CD2 3.66Å; L36-L120 HydrophobicContact CB-CD1 4.12Å; L36-L120 HydrophobicContact CB-CD2 4.4Å; L36-L120 HydrophobicContact CD1-CD1 4.04Å; L84-L120 HydrophobicContact CB-CD1 4.42Å; S117-L120 CarbonylContact O-C 3.59Å; S117-L120 WeakPolarHBondContact O-CA 3.32Å; S117-L120 WeakPolarHBondContact O-CB 3.21Å; S117-L120 PolarHBondContact O-N 3.1Å; L120-I122 HydrophobicContact CB-CB 4.1Å; L120-I122 HydrophobicContact CB-CD1 3.67Å; L120-I122 HydrophobicContact CB-CG1 3.78Å; L120-I122 HydrophobicContact CD1-CD1 3.66Å; L120-I122 HydrophobicContact CG-CD1 4.23Å; L120-I122 PolarHBondContact O-N 3.2Å |
| 121 | S | 95.2 | Very high | 91.6 | Very high | 102 Ų | 102 | 42.7 Ų | 42.7 | 71% | 0.713 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 46.6 | 172.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | H146 | S121-H146 PolarHBondContact O-CE1 2.86Å; S121-H146 VanDerWaalsContact O-CE1 3.3Å |
| 122 | I | 97 | Very high | 90.1 | Very high | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | trans | -109.4 | 145.4 | -174.1 | -66.7 | 176.2 | 0 | 0 | 0 | 108.3 | L84 I87 P89 L120 H146 V147 | L84-I122 HydrophobicContact CD2-CD1 4.18Å; L84-I122 HydrophobicContact CD2-CG2 4.05Å; I87-I122 HydrophobicContact CB-CD1 3.8Å; I87-I122 HydrophobicContact CD1-CD1 4.18Å; I87-I122 HydrophobicContact CD1-CG2 4.12Å; I87-I122 HydrophobicContact CG2-CD1 3.72Å; I87-I122 HydrophobicContact CG2-CG1 3.89Å; P89-I122 HydrophobicContact CB-CG1 4.44Å; P89-I122 HydrophobicContact CG-CG1 4.24Å; L120-I122 HydrophobicContact CB-CB 4.1Å; L120-I122 HydrophobicContact CB-CD1 3.67Å; L120-I122 HydrophobicContact CB-CG1 3.78Å; L120-I122 HydrophobicContact CD1-CD1 3.66Å; L120-I122 HydrophobicContact CG-CD1 4.23Å; L120-I122 PolarHBondContact O-N 3.2Å; I122-H146 HydrophobicContact CG2-CB 3.8Å; I122-V147 HydrophobicContact CG2-CG2 4.06Å | ||
| 123 | R | 96.4 | Very high | 89.2 | Confident | 97 Ų | 97 | 46.5 Ų | 46.5 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | trans | -124.3 | 126.7 | -179.3 | -75.2 | -168.8 | -70.7 | 162.4 | -8.4 | 109.7 | K143 G144 H146 V147 | R123-K143 VanDerWaalsContact CZ-O 3.26Å; R123-K143 VanDerWaalsContact NH1-CB 3.33Å; R123-K143 PolarHBondContact NH1-O 3.05Å; R123-K143 PolarHBondContact NH2-O 2.65Å; R123-G144 PolarHBondContact NE-O 3.04Å; R123-G144 PolarHBondContact NH1-O 2.83Å; R123-G144 PolarHBondContact NH2-O 2.94Å; R123-H146 PolarHBondContact N-ND1 2.91Å; R123-H146 PolarHBondContact O-N 3.07Å; R123-V147 PolarHBondContact O-N 3.41Å | ||
| 124 | C | 96.9 | Very high | 88.5 | Confident | 18 Ų | 18 | 47.5 Ų | 47.5 | 12% | 0.122 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 133.4 | -178.4 | -56.7 | 0 | 0 | 0 | 0 | 110 | H110 V147 | H110-C124 PolarHBondContact NE2-O 2.98Å; C124-V147 WeakPolarHBondContact CA-O 3.45Å; C124-V147 HydrophobicContact CB-CB 4.14Å |
| 125 | V | 95.4 | Very high | 88 | Confident | 22 Ų | 22 | 52.3 Ų | 52.3 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.6 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | E140 V145 V147 V149 | V125-E140 HydrophobicContact CG2-CB 4.37Å; V125-V145 HydrophobicContact CB-CG1 4.24Å; V125-V145 HydrophobicContact CG2-CG1 3.49Å; V125-V145 VanDerWaalsContact CG2-CG1 3.49Å; V125-V147 PolarHBondContact N-O 2.95Å; V125-V149 PolarHBondContact O-N 3.04Å |
| 126 | A | 94.8 | Very high | 87.5 | Confident | 27 Ų | 27 | 57.1 Ų | 57.1 | 22% | 0.223 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | H110 V149 | H110-A126 HydrophobicContact CB-CB 3.94Å; A126-V149 CarbonylContact C-O 3.28Å; A126-V149 VanDerWaalsContact CA-O 3.22Å; A126-V149 WeakPolarHBondContact CA-O 3.46Å |
| 127 | C | 93.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 79.4 | 178.9 | -67.9 | 0 | 0 | 0 | 0 | 110.5 | V148 V149 G150 T151 R154 V155 L158 | C127-V148 HydrophobicContact CB-CG1 4.09Å; C127-V149 PolarHBondContact N-O 2.94Å; C127-G150 WeakPolarHBondContact O-CA 3.13Å; C127-T151 PolarHBondContact O-N 2.94Å; C127-R154 HydrophobicContact CB-CG 4.31Å; C127-R154 WeakPolarHBondContact O-CG 3.37Å; C127-V155 HydrophobicContact CB-CG2 4.26Å; C127-L158 HydrophobicContact CB-CD1 3.88Å |
| 128 | C | 87.6 | Confident | 86.8 | Confident | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.034 | 31% | 0.314 | C | S | . | . | trans | -120.2 | 146.1 | -178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.9 | R103 A106 M137 R154 | R103-C128 HydrophobicContact CB-CB 3.92Å; R103-C128 HydrophobicContact CG-CB 3.57Å; A106-C128 WeakPolarHBondContact CB-SG 3.48Å; C128-M137 WeakPolarHBondContact O-CE 3.47Å; C128-R154 PolarHBondContact O-NH1 3.44Å; C128-R154 VanDerWaalsContact O-NH1 3.15Å | ||
| 129 | G | 75 | Confident | 86.6 | Confident | 26 Ų | 26 | 60.3 Ų | 60.3 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -64.6 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R103 | R103-G129 VanDerWaalsContact CD-O 3.26Å; R103-G129 WeakPolarHBondContact CD-O 3.19Å; R103-G129 PolarHBondContact NH1-O 3.01Å |
| 130 | G | 66.7 | Low | 86.4 | Confident | 51 Ų | 51 | 59.3 Ų | 59.3 | 53% | 0.526 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 112.1 | 4.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 131 | R | 63.5 | Low | 86.3 | Confident | 135 Ų | 135 | 59.1 Ų | 59.1 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -145.7 | 161.2 | 164 | -64.1 | -174.2 | -178.2 | 160.8 | 5.2 | 108.7 | N133 R154 E315 | R131-N133 HydrophobicContact CB-CB 3.88Å; R131-N133 PolarHBondContact O-N 3.47Å; R131-N133 PolarHBondContact O-OD1 2.84Å; R131-R154 PolarHBondContact O-NH2 3.44Å; R131-E315 IonicContact NH2-OE2 2.58Å |
| 132 | N | 63.4 | Low | 86.1 | Confident | 179 Ų | 179 | 59.5 Ų | 59.5 | 96% | 0.957 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -70.3 | 49.5 | 163.5 | -73.8 | -9.1 | 0 | 0 | 0 | 110.5 | ||
| 133 | N | 76.7 | Confident | 85.9 | Confident | 19 Ų | 19 | 64.4 Ų | 64.4 | 10% | 0.102 | 33% | 0.327 | C | S | . | . | trans | -102.3 | 8.8 | -173.7 | 63.1 | -7.9 | 0 | 0 | 0 | 112.4 | R131 M135 Q136 M137 R154 | R131-N133 HydrophobicContact CB-CB 3.88Å; R131-N133 PolarHBondContact O-N 3.47Å; R131-N133 PolarHBondContact O-OD1 2.84Å; N133-M135 VanDerWaalsContact C-N 3.26Å; N133-M135 PolarHBondContact O-N 3.28Å; N133-Q136 HydrophobicContact CB-CB 4.38Å; N133-Q136 WeakPolarHBondContact O-CB 3.36Å; N133-Q136 PolarHBondContact O-N 3.15Å; N133-M137 WeakPolarHBondContact ND2-CE 3.4Å; N133-M137 WeakPolarHBondContact O-CG 3.3Å; N133-M137 PolarHBondContact O-N 3.15Å; N133-R154 PolarHBondContact OD1-NH1 2.9Å | ||
| 134 | T | 82.4 | Confident | 85.7 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 13% | 0.129 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.5 | -42.9 | 177 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | Q136 M137 A138 E157 L158 | T134-Q136 PolarHBondContact O-N 3.29Å; T134-M137 PolarHBondContact O-N 3.45Å; T134-A138 WeakPolarHBondContact O-CB 3.26Å; T134-A138 PolarHBondContact O-N 3.15Å; T134-E157 WeakPolarHBondContact CG2-OE1 3.37Å; T134-E157 PolarHBondContact OG1-OE1 2.96Å; T134-L158 HydrophobicContact CG2-CD2 3.66Å; T134-L158 HydrophobicContact CG2-CG 4.47Å |
| 135 | M | 85.4 | Confident | 85.6 | Confident | 130 Ų | 130 | 59.8 Ų | 59.8 | 64% | 0.64 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 175.5 | -172.6 | -178.2 | -73.3 | 0 | 0 | 112.9 | N133 R139 | N133-M135 VanDerWaalsContact C-N 3.26Å; N133-M135 PolarHBondContact O-N 3.28Å; M135-R139 WeakPolarHBondContact O-CG 3.42Å; M135-R139 PolarHBondContact O-N 3.09Å; M135-R139 VanDerWaalsContact O-N 3.1Å |
| 136 | Q | 86.6 | Confident | 85.7 | Confident | 124 Ų | 124 | 58.8 Ų | 58.8 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -68.3 | -42.7 | 175.8 | -174.1 | -177.4 | 15.8 | 0 | 0 | 111 | N133 T134 R139 E140 | N133-Q136 HydrophobicContact CB-CB 4.38Å; N133-Q136 WeakPolarHBondContact O-CB 3.36Å; N133-Q136 PolarHBondContact O-N 3.15Å; T134-Q136 PolarHBondContact O-N 3.29Å; Q136-R139 PolarHBondContact O-N 3.43Å; Q136-E140 PolarHBondContact O-N 3.36Å |
| 137 | M | 90.3 | Very high | 85.9 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 175.7 | -70.9 | 175 | 178.6 | 0 | 0 | 111.4 | C128 N133 T134 R139 E140 L141 R154 L158 | C128-M137 WeakPolarHBondContact O-CE 3.47Å; N133-M137 WeakPolarHBondContact ND2-CE 3.4Å; N133-M137 WeakPolarHBondContact O-CG 3.3Å; N133-M137 PolarHBondContact O-N 3.15Å; T134-M137 PolarHBondContact O-N 3.45Å; M137-R139 VanDerWaalsContact C-N 3.31Å; M137-R139 PolarHBondContact O-N 2.9Å; M137-E140 PolarHBondContact O-N 2.78Å; M137-E140 VanDerWaalsContact O-N 3.13Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.43Å; M137-L141 PolarHBondContact O-N 3.45Å; M137-R154 HydrophobicContact SD-CG 4.1Å; M137-R154 PolarHBondContact SD-NH1 3.33Å; M137-L158 HydrophobicContact CB-CD1 4.33Å; M137-L158 HydrophobicContact CB-CD2 4.39Å; M137-L158 HydrophobicContact SD-CD1 4.3Å |
| 138 | A | 89.8 | Confident | 86.1 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.8 | -47.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | T134 E140 L141 D142 N163 | T134-A138 WeakPolarHBondContact O-CB 3.26Å; T134-A138 PolarHBondContact O-N 3.15Å; A138-E140 VanDerWaalsContact C-N 3.34Å; A138-E140 PolarHBondContact O-N 3.25Å; A138-L141 PolarHBondContact O-N 2.83Å; A138-D142 WeakPolarHBondContact O-CB 3.46Å; A138-D142 PolarHBondContact O-N 2.85Å; A138-N163 HydrophobicContact CB-CB 4.26Å; A138-N163 WeakPolarHBondContact CB-ND2 3.42Å |
| 139 | R | 91.3 | Very high | 86.6 | Confident | 160 Ų | 160 | 57.3 Ų | 57.3 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.9 | -38.7 | 176.1 | -71.8 | 176 | -175.1 | -178.2 | 2.7 | 113.3 | M135 Q136 M137 K143 | M135-R139 WeakPolarHBondContact O-CG 3.42Å; M135-R139 PolarHBondContact O-N 3.09Å; M135-R139 VanDerWaalsContact O-N 3.1Å; Q136-R139 PolarHBondContact O-N 3.43Å; M137-R139 VanDerWaalsContact C-N 3.31Å; M137-R139 PolarHBondContact O-N 2.9Å; R139-K143 WeakPolarHBondContact O-CG 3.15Å; R139-K143 PolarHBondContact O-N 2.74Å |
| 140 | E | 90.8 | Very high | 87.6 | Confident | 71 Ų | 71 | 56 Ų | 56 | 33% | 0.332 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 175.6 | -69.3 | -54.7 | 140.6 | 0 | 0 | 112.1 | V125 Q136 M137 A138 K143 | V125-E140 HydrophobicContact CG2-CB 4.37Å; Q136-E140 PolarHBondContact O-N 3.36Å; M137-E140 PolarHBondContact O-N 2.78Å; M137-E140 VanDerWaalsContact O-N 3.13Å; A138-E140 VanDerWaalsContact C-N 3.34Å; A138-E140 PolarHBondContact O-N 3.25Å; E140-K143 WeakPolarHBondContact O-CB 3.44Å; E140-K143 PolarHBondContact O-N 3.08Å; E140-K143 IonicContact OE1-NZ 2.62Å; E140-K143 PolarHBondContact OE1-NZ 3.04Å; E140-K143 IonicContact OE2-NZ 3.63Å; E140-K143 PolarHBondContact OE2-NZ 3.42Å |
| 141 | L | 93.2 | Very high | 88.9 | Confident | 12 Ų | 12 | 54.7 Ų | 54.7 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.2 | -68 | 170.2 | 0 | 0 | 0 | 111.7 | I94 M137 A138 K143 G144 V145 V148 L158 N163 I164 | I94-L141 HydrophobicContact CD1-CD2 4.44Å; M137-L141 VanDerWaalsContact O-CG 3.27Å; M137-L141 WeakPolarHBondContact O-CG 3.43Å; M137-L141 PolarHBondContact O-N 3.45Å; A138-L141 PolarHBondContact O-N 2.83Å; L141-K143 PolarHBondContact O-N 3.36Å; L141-G144 WeakPolarHBondContact O-CA 3.45Å; L141-G144 PolarHBondContact O-N 3.1Å; L141-V145 HydrophobicContact CD2-CG1 4.43Å; L141-V145 HydrophobicContact CD2-CG2 3.52Å; L141-V148 HydrophobicContact CD2-CG2 3.79Å; L141-L158 HydrophobicContact CD1-CD1 4.16Å; L141-L158 HydrophobicContact CD1-CD2 4.34Å; L141-N163 HydrophobicContact CD1-CB 4.12Å; L141-I164 HydrophobicContact CD1-CD1 4.36Å; L141-I164 HydrophobicContact CD1-CG1 3.68Å; L141-I164 HydrophobicContact CD2-CG1 4.46Å |
| 142 | D | 91.5 | Very high | 90.4 | Very high | 110 Ų | 110 | 48.3 Ų | 48.3 | 59% | 0.588 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63 | -26.4 | 178.7 | -74 | -24.3 | 0 | 0 | 0 | 112.7 | A138 G144 | A138-D142 WeakPolarHBondContact O-CB 3.46Å; A138-D142 PolarHBondContact O-N 2.85Å; D142-G144 PolarHBondContact O-N 2.81Å; D142-G144 VanDerWaalsContact O-N 3.13Å |
| 143 | K | 91.5 | Very high | 91.8 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 52% | 0.517 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -9.6 | 173.1 | -63.7 | 172.7 | -170.6 | 169.5 | 0 | 112.4 | R123 R139 E140 L141 | R123-K143 VanDerWaalsContact CZ-O 3.26Å; R123-K143 VanDerWaalsContact NH1-CB 3.33Å; R123-K143 PolarHBondContact NH1-O 3.05Å; R123-K143 PolarHBondContact NH2-O 2.65Å; R139-K143 WeakPolarHBondContact O-CG 3.15Å; R139-K143 PolarHBondContact O-N 2.74Å; E140-K143 WeakPolarHBondContact O-CB 3.44Å; E140-K143 PolarHBondContact O-N 3.08Å; E140-K143 IonicContact OE1-NZ 2.62Å; E140-K143 PolarHBondContact OE1-NZ 3.04Å; E140-K143 IonicContact OE2-NZ 3.63Å; E140-K143 PolarHBondContact OE2-NZ 3.42Å; L141-K143 PolarHBondContact O-N 3.36Å |
| 144 | G | 92 | Very high | 92.6 | Very high | 12 Ų | 12 | 41.5 Ų | 41.5 | 12% | 0.124 | 21% | 0.208 | C | C | . | . | trans | 90.1 | 133.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | R123 L141 D142 | R123-G144 PolarHBondContact NE-O 3.04Å; R123-G144 PolarHBondContact NH1-O 2.83Å; R123-G144 PolarHBondContact NH2-O 2.94Å; L141-G144 WeakPolarHBondContact O-CA 3.45Å; L141-G144 PolarHBondContact O-N 3.1Å; D142-G144 PolarHBondContact O-N 2.81Å; D142-G144 VanDerWaalsContact O-N 3.13Å | ||
| 145 | V | 96.1 | Very high | 93.3 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | trans | -145.1 | 150.6 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 109 | Q93 I94 V125 L141 V148 | Q93-V145 CarbonylContact C-O 3.54Å; Q93-V145 WeakPolarHBondContact CA-O 3.44Å; Q93-V145 VanDerWaalsContact O-O 3.05Å; I94-V145 WeakPolarHBondContact CA-O 3.5Å; I94-V145 HydrophobicContact CD1-CG2 4.1Å; I94-V145 HydrophobicContact CG1-CG2 3.58Å; I94-V145 PolarHBondContact N-O 3.3Å; V125-V145 HydrophobicContact CB-CG1 4.24Å; V125-V145 HydrophobicContact CG2-CG1 3.49Å; V125-V145 VanDerWaalsContact CG2-CG1 3.49Å; L141-V145 HydrophobicContact CD2-CG1 4.43Å; L141-V145 HydrophobicContact CD2-CG2 3.52Å; V145-V148 HydrophobicContact CG2-CG2 4.16Å | ||
| 146 | H | 98.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.009 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -101.5 | -36.2 | -179 | -60.3 | 96.9 | 0 | 0 | 0 | 111.4 | I87 P89 I91 Q95 V96 S121 I122 R123 | I87-H146 HydrophobicContact CD1-CB 4.5Å; I87-H146 HydrophobicContact CG2-CB 4.08Å; P89-H146 PolarHBondContact O-NE2 2.65Å; P89-H146 VanDerWaalsContact O-NE2 3.12Å; I91-H146 PolarHBondContact O-CD2 3.06Å; I91-H146 PolarHBondContact O-NE2 3.49Å; Q95-H146 PolarHBondContact N-O 2.7Å; V96-H146 PolarHBondContact N-O 3.15Å; V96-H146 VanDerWaalsContact N-O 3.09Å; S121-H146 PolarHBondContact O-CE1 2.86Å; S121-H146 VanDerWaalsContact O-CE1 3.3Å; I122-H146 HydrophobicContact CG2-CB 3.8Å; R123-H146 PolarHBondContact N-ND1 2.91Å; R123-H146 PolarHBondContact O-N 3.07Å |
| 147 | V | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.5 | -177.4 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | L84 I87 V96 M113 I122 R123 C124 V125 V149 | L84-V147 HydrophobicContact CD2-CG2 4.31Å; I87-V147 HydrophobicContact CD1-CG2 3.4Å; V96-V147 HydrophobicContact CB-CG1 4.29Å; V96-V147 HydrophobicContact CB-CG2 4.21Å; V96-V147 HydrophobicContact CG1-CG1 4.39Å; V96-V147 WeakPolarHBondContact O-CA 3.41Å; M113-V147 HydrophobicContact CE-CB 4.4Å; M113-V147 HydrophobicContact CE-CG1 3.48Å; M113-V147 VanDerWaalsContact CE-CG1 3.48Å; M113-V147 HydrophobicContact CE-CG2 4.06Å; M113-V147 HydrophobicContact SD-CG1 3.73Å; I122-V147 HydrophobicContact CG2-CG2 4.06Å; R123-V147 PolarHBondContact O-N 3.41Å; C124-V147 WeakPolarHBondContact CA-O 3.45Å; C124-V147 HydrophobicContact CB-CB 4.14Å; V125-V147 PolarHBondContact N-O 2.95Å; V147-V149 HydrophobicContact CG1-CG2 3.94Å |
| 148 | V | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 128.4 | 166.6 | 172.7 | 0 | 0 | 0 | 0 | 108.7 | I94 V96 L97 V98 C127 L141 V145 V155 I164 | I94-V148 HydrophobicContact CD1-CG2 3.68Å; I94-V148 HydrophobicContact CG1-CG2 3.95Å; I94-V148 HydrophobicContact CG2-CG2 4.27Å; V96-V148 PolarHBondContact O-N 3.09Å; L97-V148 CarbonylContact C-O 3.59Å; L97-V148 WeakPolarHBondContact CA-O 3.49Å; L97-V148 HydrophobicContact CD1-CB 3.98Å; L97-V148 HydrophobicContact CD1-CG1 3.79Å; V98-V148 PolarHBondContact N-O 2.83Å; C127-V148 HydrophobicContact CB-CG1 4.09Å; L141-V148 HydrophobicContact CD2-CG2 3.79Å; V145-V148 HydrophobicContact CG2-CG2 4.16Å; V148-V155 HydrophobicContact CG1-CG2 4.42Å; V148-I164 HydrophobicContact CG1-CD1 4.29Å |
| 149 | V | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.8 | 173.1 | -175.6 | 0 | 0 | 0 | 0 | 107.7 | V98 A106 I109 H110 M113 V125 A126 C127 V147 | V98-V149 HydrophobicContact CB-CB 4.45Å; V98-V149 HydrophobicContact CB-CG1 4.19Å; V98-V149 HydrophobicContact CB-CG2 4.17Å; V98-V149 HydrophobicContact CG1-CG1 4.45Å; V98-V149 HydrophobicContact CG2-CG2 4.31Å; V98-V149 CarbonylContact O-C 3.57Å; V98-V149 WeakPolarHBondContact O-CA 3.13Å; A106-V149 HydrophobicContact CB-CG1 4.14Å; A106-V149 WeakPolarHBondContact O-CG1 3.45Å; I109-V149 HydrophobicContact CB-CG1 3.77Å; I109-V149 HydrophobicContact CG2-CG1 3.65Å; I109-V149 HydrophobicContact CG2-CG2 4.1Å; H110-V149 HydrophobicContact CB-CB 4.28Å; H110-V149 HydrophobicContact CB-CG2 4.43Å; M113-V149 HydrophobicContact SD-CG2 3.88Å; V125-V149 PolarHBondContact O-N 3.04Å; A126-V149 CarbonylContact C-O 3.28Å; A126-V149 VanDerWaalsContact CA-O 3.22Å; A126-V149 WeakPolarHBondContact CA-O 3.46Å; C127-V149 PolarHBondContact N-O 2.94Å; V147-V149 HydrophobicContact CG1-CG2 3.94Å |
| 150 | G | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 177.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V98 L99 A100 C127 | V98-G150 PolarHBondContact O-N 3.13Å; L99-G150 WeakPolarHBondContact CA-O 3.07Å; A100-G150 PolarHBondContact N-O 3.16Å; C127-G150 WeakPolarHBondContact O-CA 3.13Å |
| 151 | T | 94.2 | Very high | 94.7 | Very high | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | trans | -87.8 | 143.6 | 170.9 | 59.7 | 0 | 0 | 0 | 0 | 109.9 | C127 G153 R154 V155 | C127-T151 PolarHBondContact O-N 2.94Å; T151-G153 VanDerWaalsContact C-N 3.3Å; T151-G153 PolarHBondContact O-N 2.99Å; T151-R154 PolarHBondContact O-N 3.35Å; T151-R154 VanDerWaalsContact O-N 3.14Å; T151-V155 WeakPolarHBondContact O-CG2 3.27Å; T151-V155 PolarHBondContact O-N 3.32Å | ||
| 152 | P | 94.9 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -49.6 | -46.6 | -176.4 | -32.1 | 36.7 | 0 | 0 | 0 | 113.8 | L99 A100 R154 V155 L156 M180 L185 Q188 L189 I192 | L99-P152 HydrophobicContact CB-CG 4.46Å; A100-P152 WeakPolarHBondContact O-CD 3.44Å; P152-R154 PolarHBondContact O-N 2.87Å; P152-V155 PolarHBondContact O-N 3.5Å; P152-L156 WeakPolarHBondContact O-CB 3.11Å; P152-L156 PolarHBondContact O-N 2.75Å; P152-M180 HydrophobicContact CG-SD 3.87Å; P152-L185 HydrophobicContact CG-CD1 4Å; P152-Q188 HydrophobicContact CB-CB 4.02Å; P152-L189 HydrophobicContact CB-CD2 4.33Å; P152-L189 HydrophobicContact CG-CD2 3.95Å; P152-I192 HydrophobicContact CB-CD1 4.18Å |
| 153 | G | 93.5 | Very high | 94.8 | Very high | 34 Ų | 34 | 29.9 Ų | 29.9 | 35% | 0.351 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60 | -43.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | T151 E157 Q188 | T151-G153 VanDerWaalsContact C-N 3.3Å; T151-G153 PolarHBondContact O-N 2.99Å; G153-E157 PolarHBondContact O-N 3.44Å; G153-Q188 VanDerWaalsContact CA-OE1 3.22Å |
| 154 | R | 93.4 | Very high | 95 | Very high | 20 Ų | 20 | 24.5 Ų | 24.5 | 8% | 0.075 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.8 | -38.9 | -179.9 | 176.7 | 53.1 | 64.6 | 81.8 | -6.7 | 111.8 | C127 C128 R131 N133 M137 T151 P152 L156 E157 L158 | C127-R154 HydrophobicContact CB-CG 4.31Å; C127-R154 WeakPolarHBondContact O-CG 3.37Å; C128-R154 PolarHBondContact O-NH1 3.44Å; C128-R154 VanDerWaalsContact O-NH1 3.15Å; R131-R154 PolarHBondContact O-NH2 3.44Å; N133-R154 PolarHBondContact OD1-NH1 2.9Å; M137-R154 HydrophobicContact SD-CG 4.1Å; M137-R154 PolarHBondContact SD-NH1 3.33Å; T151-R154 PolarHBondContact O-N 3.35Å; T151-R154 VanDerWaalsContact O-N 3.14Å; P152-R154 PolarHBondContact O-N 2.87Å; R154-L156 VanDerWaalsContact C-N 3.28Å; R154-L156 PolarHBondContact O-N 3.24Å; R154-E157 WeakPolarHBondContact CD-OE2 3.34Å; R154-E157 IonicContact CZ-OE2 3.68Å; R154-E157 IonicContact NE-OE2 3.76Å; R154-E157 PolarHBondContact NE-OE2 3.38Å; R154-E157 IonicContact NH2-OE2 2.62Å; R154-E157 PolarHBondContact O-N 3.32Å; R154-L158 HydrophobicContact CG-CD1 4.15Å; R154-L158 WeakPolarHBondContact O-CG 3.33Å; R154-L158 PolarHBondContact O-N 3.24Å; R154-L158 VanDerWaalsContact O-N 3.11Å |
| 155 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.5 | -43.5 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.1 | L97 L99 C127 V148 T151 P152 L158 L159 I164 I192 | L97-V155 HydrophobicContact CD1-CG1 3.94Å; L97-V155 HydrophobicContact CD1-CG2 4.28Å; L97-V155 HydrophobicContact CD2-CG1 4.14Å; L99-V155 HydrophobicContact CD2-CB 4.1Å; L99-V155 HydrophobicContact CD2-CG1 4.1Å; L99-V155 HydrophobicContact CD2-CG2 3.86Å; C127-V155 HydrophobicContact CB-CG2 4.26Å; V148-V155 HydrophobicContact CG1-CG2 4.42Å; T151-V155 WeakPolarHBondContact O-CG2 3.27Å; T151-V155 PolarHBondContact O-N 3.32Å; P152-V155 PolarHBondContact O-N 3.5Å; V155-L158 PolarHBondContact O-N 3.1Å; V155-L159 HydrophobicContact CG1-CD1 3.91Å; V155-L159 HydrophobicContact CG1-CG 4.45Å; V155-L159 WeakPolarHBondContact O-CB 3.25Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 2.93Å; V155-I164 HydrophobicContact CG1-CD1 4.19Å; V155-I192 HydrophobicContact CB-CD1 4.49Å; V155-I192 HydrophobicContact CG1-CD1 4.24Å |
| 156 | L | 94.9 | Very high | 95.1 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 178.8 | -176.6 | 58.3 | 0 | 0 | 0 | 112.8 | P152 R154 L158 L159 R160 Q188 E191 I192 | P152-L156 WeakPolarHBondContact O-CB 3.11Å; P152-L156 PolarHBondContact O-N 2.75Å; R154-L156 VanDerWaalsContact C-N 3.28Å; R154-L156 PolarHBondContact O-N 3.24Å; L156-L158 PolarHBondContact O-N 2.83Å; L156-L159 PolarHBondContact O-N 3.01Å; L156-R160 HydrophobicContact CD1-CG 4.33Å; L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 VanDerWaalsContact O-CG 3.31Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 2.67Å; L156-Q188 HydrophobicContact CD2-CB 4.15Å; L156-Q188 HydrophobicContact CD2-CG 4.27Å; L156-E191 HydrophobicContact CD1-CB 4.15Å; L156-E191 HydrophobicContact CD1-CG 3.65Å; L156-E191 HydrophobicContact CD2-CB 4.14Å; L156-E191 HydrophobicContact CD2-CG 4.24Å; L156-I192 HydrophobicContact CB-CD1 4.37Å; L156-I192 HydrophobicContact CB-CG1 4.22Å; L156-I192 HydrophobicContact CD1-CG1 4.14Å |
| 157 | E | 94 | Very high | 94.8 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -54.8 | -50.9 | 172 | -175 | -169.3 | 163.3 | 0 | 0 | 111.2 | T134 G153 R154 L159 R160 Q161 | T134-E157 WeakPolarHBondContact CG2-OE1 3.37Å; T134-E157 PolarHBondContact OG1-OE1 2.96Å; G153-E157 PolarHBondContact O-N 3.44Å; R154-E157 WeakPolarHBondContact CD-OE2 3.34Å; R154-E157 IonicContact CZ-OE2 3.68Å; R154-E157 IonicContact NE-OE2 3.76Å; R154-E157 PolarHBondContact NE-OE2 3.38Å; R154-E157 IonicContact NH2-OE2 2.62Å; R154-E157 PolarHBondContact O-N 3.32Å; E157-L159 PolarHBondContact O-N 3.24Å; E157-R160 PolarHBondContact O-N 3.19Å; E157-Q161 WeakPolarHBondContact O-CG 3.48Å; E157-Q161 PolarHBondContact O-N 3.3Å; E157-Q161 PolarHBondContact OE1-NE2 2.93Å |
| 158 | L | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.8 | -30.9 | -179.6 | -69.8 | 165.5 | 0 | 0 | 0 | 113.2 | C127 T134 M137 L141 R154 V155 L156 G162 N163 I164 | C127-L158 HydrophobicContact CB-CD1 3.88Å; T134-L158 HydrophobicContact CG2-CD2 3.66Å; T134-L158 HydrophobicContact CG2-CG 4.47Å; M137-L158 HydrophobicContact CB-CD1 4.33Å; M137-L158 HydrophobicContact CB-CD2 4.39Å; M137-L158 HydrophobicContact SD-CD1 4.3Å; L141-L158 HydrophobicContact CD1-CD1 4.16Å; L141-L158 HydrophobicContact CD1-CD2 4.34Å; R154-L158 HydrophobicContact CG-CD1 4.15Å; R154-L158 WeakPolarHBondContact O-CG 3.33Å; R154-L158 PolarHBondContact O-N 3.24Å; R154-L158 VanDerWaalsContact O-N 3.11Å; V155-L158 PolarHBondContact O-N 3.1Å; L156-L158 PolarHBondContact O-N 2.83Å; L158-G162 PolarHBondContact O-N 3.41Å; L158-N163 HydrophobicContact CB-CB 4.48Å; L158-N163 HydrophobicContact CD2-CB 4.1Å; L158-N163 PolarHBondContact O-N 2.96Å; L158-I164 HydrophobicContact CB-CD1 3.63Å; L158-I164 HydrophobicContact CB-CG1 3.85Å; L158-I164 HydrophobicContact CD1-CD1 4.15Å; L158-I164 PolarHBondContact O-N 3.3Å |
| 159 | L | 94.7 | Very high | 94.5 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -45.9 | 170.6 | -81.7 | 166.3 | 0 | 0 | 0 | 111.5 | V155 L156 E157 Q161 G162 I164 L166 I192 | V155-L159 HydrophobicContact CG1-CD1 3.91Å; V155-L159 HydrophobicContact CG1-CG 4.45Å; V155-L159 WeakPolarHBondContact O-CB 3.25Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 2.93Å; L156-L159 PolarHBondContact O-N 3.01Å; E157-L159 PolarHBondContact O-N 3.24Å; L159-Q161 VanDerWaalsContact C-N 3.29Å; L159-Q161 PolarHBondContact O-N 3.1Å; L159-G162 PolarHBondContact O-N 3.46Å; L159-G162 VanDerWaalsContact O-N 3.12Å; L159-I164 HydrophobicContact CD2-CB 3.81Å; L159-I164 HydrophobicContact CD2-CG2 3.39Å; L159-I164 HydrophobicContact CG-CB 4.01Å; L159-I164 HydrophobicContact CG-CG2 3.88Å; L159-L166 HydrophobicContact CD1-CD1 4.36Å; L159-L166 HydrophobicContact CD2-CD1 3.75Å; L159-L166 HydrophobicContact CD2-CD2 4.44Å; L159-L166 HydrophobicContact CD2-CG 3.79Å; L159-I192 HydrophobicContact CD1-CG1 4.01Å; L159-I192 HydrophobicContact CD1-CG2 4.31Å |
| 160 | R | 94.2 | Very high | 94.4 | Very high | 150 Ų | 150 | 48.6 Ų | 48.6 | 57% | 0.566 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.6 | -32.9 | 179.5 | -73 | 170.3 | 176.5 | 172.4 | -4.5 | 112.2 | L156 E157 G162 E191 | L156-R160 HydrophobicContact CD1-CG 4.33Å; L156-R160 WeakPolarHBondContact O-CB 3.49Å; L156-R160 VanDerWaalsContact O-CG 3.31Å; L156-R160 WeakPolarHBondContact O-CG 3.47Å; L156-R160 PolarHBondContact O-N 2.67Å; E157-R160 PolarHBondContact O-N 3.19Å; R160-G162 VanDerWaalsContact C-N 3.27Å; R160-E191 IonicContact CZ-OE1 2.67Å; R160-E191 IonicContact CZ-OE2 3.68Å; R160-E191 IonicContact NE-OE1 3.8Å; R160-E191 PolarHBondContact NE-OE1 2.98Å; R160-E191 IonicContact NE-OE2 3.27Å; R160-E191 VanDerWaalsContact NH2-CD 3.27Å; R160-E191 IonicContact NH2-OE1 3.11Å; R160-E191 PolarHBondContact NH2-OE1 2.87Å; R160-E191 IonicContact NH2-OE2 3.62Å; R160-E191 PolarHBondContact NH2-OE2 2.68Å |
| 161 | Q | 92.8 | Very high | 94.4 | Very high | 101 Ų | 101 | 48.7 Ų | 48.7 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -7.6 | 175.1 | -68.6 | 170.5 | 2.3 | 0 | 0 | 113.5 | E157 L159 N163 | E157-Q161 WeakPolarHBondContact O-CG 3.48Å; E157-Q161 PolarHBondContact O-N 3.3Å; E157-Q161 PolarHBondContact OE1-NE2 2.93Å; L159-Q161 VanDerWaalsContact C-N 3.29Å; L159-Q161 PolarHBondContact O-N 3.1Å; Q161-N163 VanDerWaalsContact C-N 3.32Å; Q161-N163 WeakPolarHBondContact CB-OD1 3.31Å; Q161-N163 PolarHBondContact O-N 3.36Å; Q161-N163 PolarHBondContact OE1-OD1 3.3Å |
| 162 | G | 93 | Very high | 94.6 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 35% | 0.351 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 10.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L158 L159 R160 | L158-G162 PolarHBondContact O-N 3.41Å; L159-G162 PolarHBondContact O-N 3.46Å; L159-G162 VanDerWaalsContact O-N 3.12Å; R160-G162 VanDerWaalsContact C-N 3.27Å |
| 163 | N | 93.8 | Very high | 94.7 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 21% | 0.214 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.1 | -27.6 | 176.3 | -57.1 | 114.5 | 0 | 0 | 0 | 112.4 | A138 L141 L158 Q161 | A138-N163 HydrophobicContact CB-CB 4.26Å; A138-N163 WeakPolarHBondContact CB-ND2 3.42Å; L141-N163 HydrophobicContact CD1-CB 4.12Å; L158-N163 HydrophobicContact CB-CB 4.48Å; L158-N163 HydrophobicContact CD2-CB 4.1Å; L158-N163 PolarHBondContact O-N 2.96Å; Q161-N163 VanDerWaalsContact C-N 3.32Å; Q161-N163 WeakPolarHBondContact CB-OD1 3.31Å; Q161-N163 PolarHBondContact O-N 3.36Å; Q161-N163 PolarHBondContact OE1-OD1 3.3Å |
| 164 | I | 95.6 | Very high | 94.9 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | trans | -102.6 | 125.5 | 171.4 | -68.3 | 176.9 | 0 | 0 | 0 | 108.5 | I94 L141 V148 V155 L158 L159 L166 | I94-I164 HydrophobicContact CD1-CB 4.26Å; I94-I164 HydrophobicContact CD1-CG1 4.23Å; I94-I164 HydrophobicContact CD1-CG2 3.71Å; L141-I164 HydrophobicContact CD1-CD1 4.36Å; L141-I164 HydrophobicContact CD1-CG1 3.68Å; L141-I164 HydrophobicContact CD2-CG1 4.46Å; V148-I164 HydrophobicContact CG1-CD1 4.29Å; V155-I164 HydrophobicContact CG1-CD1 4.19Å; L158-I164 HydrophobicContact CB-CD1 3.63Å; L158-I164 HydrophobicContact CB-CG1 3.85Å; L158-I164 HydrophobicContact CD1-CD1 4.15Å; L158-I164 PolarHBondContact O-N 3.3Å; L159-I164 HydrophobicContact CD2-CB 3.81Å; L159-I164 HydrophobicContact CD2-CG2 3.39Å; L159-I164 HydrophobicContact CG-CB 4.01Å; L159-I164 HydrophobicContact CG-CG2 3.88Å; I164-L166 HydrophobicContact CG2-CD2 3.54Å; I164-L166 HydrophobicContact CG2-CG 4.05Å | ||
| 165 | R | 93.8 | Very high | 94.9 | Very high | 172 Ų | 172 | 45.8 Ų | 45.8 | 65% | 0.649 | 21% | 0.21 | S | C | * | . | trans | -119.3 | 121.4 | 172.7 | -61.3 | -179.8 | -170.4 | 131 | 3.2 | 108.8 | ||||
| 166 | L | 95 | Very high | 94.6 | Very high | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | trans | -96.8 | 8.4 | -173.4 | -59.3 | -179.4 | 0 | 0 | 0 | 113.4 | I94 L97 L159 I164 K168 L169 L196 P197 | I94-L166 HydrophobicContact CG2-CD2 4.2Å; L97-L166 HydrophobicContact CD2-CD1 4.4Å; L97-L166 HydrophobicContact CD2-CD2 4.31Å; L159-L166 HydrophobicContact CD1-CD1 4.36Å; L159-L166 HydrophobicContact CD2-CD1 3.75Å; L159-L166 HydrophobicContact CD2-CD2 4.44Å; L159-L166 HydrophobicContact CD2-CG 3.79Å; I164-L166 HydrophobicContact CG2-CD2 3.54Å; I164-L166 HydrophobicContact CG2-CG 4.05Å; L166-K168 PolarHBondContact O-N 2.89Å; L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.47Å; L166-L169 HydrophobicContact CD1-CD2 4.43Å; L166-L169 HydrophobicContact CD2-CD1 4.32Å; L166-L169 HydrophobicContact CD2-CD2 4.4Å; L166-L169 WeakPolarHBondContact O-CB 3.39Å; L166-L169 PolarHBondContact O-N 3.01Å; L166-L196 HydrophobicContact CD1-CD2 4.14Å; L166-P197 WeakPolarHBondContact O-CG 3.3Å | ||
| 167 | N | 91.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 46.1 Ų | 46.1 | 69% | 0.69 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -22.7 | -172.2 | -56.7 | 62.3 | 0 | 0 | 0 | 115 | ||
| 168 | K | 94.3 | Very high | 94.2 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 46% | 0.461 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 13.2 | 176.8 | -61.4 | -56.2 | -174.8 | 177.6 | 0 | 113.4 | I91 Q93 I94 L166 R170 | I91-K168 HydrophobicContact CG2-CG 4.29Å; Q93-K168 HydrophobicContact CB-CB 4.21Å; Q93-K168 HydrophobicContact CB-CG 4.16Å; I94-K168 CarbonylContact O-C 3.56Å; I94-K168 VanDerWaalsContact O-C 3.28Å; L166-K168 PolarHBondContact O-N 2.89Å; K168-R170 PolarHBondContact O-N 3.01Å |
| 169 | L | 96.1 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.026 | 20% | 0.2 | C | C | . | . | trans | -61 | 124.4 | 179.3 | -171.4 | 74.6 | 0 | 0 | 0 | 109.6 | I94 L97 L166 S171 L196 P197 C210 | I94-L169 HydrophobicContact CG2-CD1 4.16Å; I94-L169 PolarHBondContact O-N 2.83Å; L97-L169 HydrophobicContact CB-CD1 3.69Å; L166-L169 HydrophobicContact CB-CB 4.16Å; L166-L169 HydrophobicContact CB-CD2 4.47Å; L166-L169 HydrophobicContact CD1-CD2 4.43Å; L166-L169 HydrophobicContact CD2-CD1 4.32Å; L166-L169 HydrophobicContact CD2-CD2 4.4Å; L166-L169 WeakPolarHBondContact O-CB 3.39Å; L166-L169 PolarHBondContact O-N 3.01Å; L169-S171 WeakPolarHBondContact CD1-O 3.4Å; L169-L196 HydrophobicContact CD2-CD2 3.41Å; L169-L196 VanDerWaalsContact CD2-CD2 3.41Å; L169-P197 HydrophobicContact CB-CG 4.12Å; L169-C210 WeakPolarHBondContact O-CB 3.26Å | ||
| 170 | R | 95.7 | Very high | 93.6 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | trans | -99.8 | -37 | 177.4 | -64.1 | -179.3 | 175.5 | -81.9 | -4.6 | 111.6 | Q95 K168 C210 Q211 | Q95-R170 HydrophobicContact CB-CG 4.37Å; Q95-R170 HydrophobicContact CG-CG 4.46Å; Q95-R170 WeakPolarHBondContact O-CA 3.44Å; Q95-R170 WeakPolarHBondContact O-CB 3.39Å; Q95-R170 PolarHBondContact O-N 3.28Å; K168-R170 PolarHBondContact O-N 3.01Å; R170-C210 CarbonylContact O-C 3.6Å; R170-C210 WeakPolarHBondContact O-CA 3.43Å; R170-C210 WeakPolarHBondContact O-CB 3.46Å; R170-Q211 PolarHBondContact O-N 2.91Å | ||
| 171 | S | 97.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 133.5 | -177.1 | -49.8 | 0 | 0 | 0 | 0 | 112 | Q95 V96 L97 L169 Q211 | Q95-S171 PolarHBondContact O-N 3.15Å; Q95-S171 VanDerWaalsContact O-N 3.15Å; V96-S171 WeakPolarHBondContact CA-O 3.47Å; L97-S171 PolarHBondContact N-O 3.45Å; L169-S171 WeakPolarHBondContact CD1-O 3.4Å; S171-Q211 CarbonylContact C-O 3.6Å; S171-Q211 VanDerWaalsContact CA-O 3.28Å; S171-Q211 WeakPolarHBondContact CA-O 3.46Å; S171-Q211 PolarHBondContact OG-OE1 3.37Å |
| 172 | L | 97.6 | Very high | 92.8 | Very high | 6 Ų | 6 | 35.5 Ų | 35.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 128.9 | 164.2 | 172.9 | 64.9 | 0 | 0 | 0 | 108.7 | L97 L99 L174 L196 Q211 I212 V213 | L97-L172 HydrophobicContact CB-CD1 4.13Å; L97-L172 HydrophobicContact CD2-CD1 3.92Å; L97-L172 HydrophobicContact CG-CD1 3.89Å; L97-L172 CarbonylContact O-C 3.56Å; L97-L172 WeakPolarHBondContact O-CA 3.21Å; L99-L172 HydrophobicContact CD1-CD1 4.13Å; L99-L172 HydrophobicContact CG-CD1 4.17Å; L172-L174 HydrophobicContact CD1-CD2 4.26Å; L172-L174 HydrophobicContact CD2-CD2 4.41Å; L172-L174 HydrophobicContact CG-CD2 4.26Å; L172-L196 HydrophobicContact CD2-CD1 3.82Å; L172-L196 HydrophobicContact CD2-CD2 4.21Å; L172-Q211 PolarHBondContact N-O 2.73Å; L172-I212 HydrophobicContact CB-CG1 4.41Å; L172-I212 WeakPolarHBondContact O-CA 3.5Å; L172-V213 PolarHBondContact O-N 2.61Å |
| 173 | V | 97.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.6 | 176.2 | -174.3 | 0 | 0 | 0 | 0 | 109.9 | F79 T83 L97 V98 L99 V213 | F79-V173 HydrophobicContact CB-CG1 4.05Å; F79-V173 HydrophobicContact CB-CG2 4.46Å; F79-V173 HydrophobicContact CD1-CG1 3.97Å; F79-V173 HydrophobicContact CD2-CB 4.49Å; F79-V173 HydrophobicContact CD2-CG1 3.8Å; F79-V173 HydrophobicContact CD2-CG2 4.31Å; F79-V173 HydrophobicContact CE1-CG1 4.27Å; F79-V173 HydrophobicContact CE2-CG1 4.2Å; F79-V173 HydrophobicContact CG-CG1 3.69Å; F79-V173 HydrophobicContact CZ-CG1 4.4Å; T83-V173 HydrophobicContact CG2-CG2 3.88Å; L97-V173 PolarHBondContact O-N 2.87Å; V98-V173 WeakPolarHBondContact CA-O 3.19Å; V98-V173 HydrophobicContact CB-CB 4.29Å; V98-V173 HydrophobicContact CG1-CB 4.01Å; V98-V173 HydrophobicContact CG1-CG1 4.14Å; V98-V173 HydrophobicContact CG2-CB 4.02Å; V98-V173 HydrophobicContact CG2-CG2 4.17Å; L99-V173 PolarHBondContact N-O 3.36Å; V173-V213 CarbonylContact C-O 3.53Å; V173-V213 VanDerWaalsContact CA-O 3.25Å; V173-V213 WeakPolarHBondContact CA-O 2.9Å; V173-V213 HydrophobicContact CG1-CB 4.42Å; V173-V213 HydrophobicContact CG1-CG1 4.4Å; V173-V213 HydrophobicContact CG2-CB 4.22Å |
| 174 | L | 96.3 | Very high | 92 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 105.8 | 171.8 | -56.7 | -172.6 | 0 | 0 | 0 | 108.5 | L99 L172 A177 M180 L189 V213 I214 I215 L230 | L99-L174 HydrophobicContact CB-CD2 3.93Å; L99-L174 HydrophobicContact CD1-CD2 3.77Å; L99-L174 HydrophobicContact CG-CD2 4.17Å; L172-L174 HydrophobicContact CD1-CD2 4.26Å; L172-L174 HydrophobicContact CD2-CD2 4.41Å; L172-L174 HydrophobicContact CG-CD2 4.26Å; L174-A177 HydrophobicContact CB-CB 4Å; L174-M180 HydrophobicContact CB-CE 3.61Å; L174-M180 HydrophobicContact CD2-CE 4.02Å; L174-M180 HydrophobicContact CG-CE 4.27Å; L174-L189 HydrophobicContact CD2-CD2 4.16Å; L174-V213 PolarHBondContact N-O 3.23Å; L174-I214 HydrophobicContact CB-CG1 4.43Å; L174-I214 HydrophobicContact CD1-CD1 4.35Å; L174-I214 HydrophobicContact CD1-CG1 4.17Å; L174-I214 HydrophobicContact CG-CG1 4.45Å; L174-I215 PolarHBondContact O-N 3.41Å; L174-L230 HydrophobicContact CD1-CD1 4.43Å |
| 175 | D | 94.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 138.9 | 174.8 | -162.3 | 12.1 | 0 | 0 | 0 | 110.6 | F79 L99 P101 I109 A177 | F79-D175 HydrophobicContact CE1-CB 4.09Å; F79-D175 HydrophobicContact CZ-CB 4.31Å; L99-D175 PolarHBondContact O-N 3.18Å; P101-D175 WeakPolarHBondContact CD-O 3.4Å; I109-D175 HydrophobicContact CD1-CB 3.97Å; I109-D175 WeakPolarHBondContact CD1-OD2 3.49Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 3.42Å |
| 176 | E | 90.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 5% | 0.051 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 53 | -167.8 | -63.2 | -168.5 | 174.4 | 0 | 0 | 112.1 | P101 L105 D178 E179 M180 I215 | P101-E176 HydrophobicContact CG-CB 3.76Å; L105-E176 HydrophobicContact CD2-CB 4.23Å; L105-E176 HydrophobicContact CD2-CG 3.78Å; E176-D178 PolarHBondContact O-N 3.26Å; E176-E179 HydrophobicContact CB-CB 4.08Å; E176-E179 WeakPolarHBondContact O-CB 3.26Å; E176-E179 PolarHBondContact O-N 3.17Å; E176-M180 PolarHBondContact O-N 3.07Å; E176-I215 PolarHBondContact N-O 3.07Å |
| 177 | A | 91.8 | Very high | 91 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | L174 D175 E179 M180 L181 I214 I215 F227 | L174-A177 HydrophobicContact CB-CB 4Å; D175-A177 VanDerWaalsContact C-N 3.34Å; D175-A177 PolarHBondContact O-N 3.42Å; A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 PolarHBondContact O-N 2.61Å; A177-M180 HydrophobicContact CB-CE 4.2Å; A177-M180 PolarHBondContact O-N 2.93Å; A177-L181 WeakPolarHBondContact O-CG 3.5Å; A177-L181 PolarHBondContact O-N 2.83Å; A177-I214 HydrophobicContact CB-CG2 3.6Å; A177-I215 PolarHBondContact N-O 2.84Å; A177-I215 VanDerWaalsContact N-O 3.08Å; A177-F227 HydrophobicContact CB-CE1 3.72Å; A177-F227 HydrophobicContact CB-CE2 4.03Å; A177-F227 HydrophobicContact CB-CZ 3.38Å |
| 178 | D | 87.7 | Confident | 91.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.3 | -41.6 | 171.4 | 53.7 | -36.3 | 0 | 0 | 0 | 112 | E176 L181 N182 S216 T218 H361 | E176-D178 PolarHBondContact O-N 3.26Å; D178-L181 PolarHBondContact O-N 2.89Å; D178-N182 PolarHBondContact O-N 3.15Å; D178-N182 PolarHBondContact O-ND2 2.88Å; D178-S216 VanDerWaalsContact CB-OG 3.31Å; D178-S216 WeakPolarHBondContact CB-OG 3.45Å; D178-S216 PolarHBondContact OD1-OG 3.18Å; D178-S216 PolarHBondContact OD2-OG 3.39Å; D178-T218 WeakPolarHBondContact OD2-CB 3.49Å; D178-T218 PolarHBondContact OD2-N 3.39Å; D178-T218 PolarHBondContact OD2-OG1 3.34Å; D178-H361 IonicContact OD2-CE1 3.47Å; D178-H361 IonicContact OD2-NE2 2.64Å |
| 179 | E | 86.2 | Confident | 91 | Very high | 8 Ų | 8 | 32.4 Ų | 32.4 | 4% | 0.037 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | 178.2 | 179.1 | 65.9 | 171.7 | 0 | 0 | 112.2 | P101 E176 A177 L181 N182 R183 R337 | P101-E179 HydrophobicContact CB-CB 4.19Å; P101-E179 HydrophobicContact CB-CG 3.63Å; P101-E179 HydrophobicContact CG-CB 4.06Å; P101-E179 HydrophobicContact CG-CG 3.77Å; E176-E179 HydrophobicContact CB-CB 4.08Å; E176-E179 WeakPolarHBondContact O-CB 3.26Å; E176-E179 PolarHBondContact O-N 3.17Å; A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 PolarHBondContact O-N 2.61Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 3.13Å; E179-N182 PolarHBondContact O-N 3.43Å; E179-R183 HydrophobicContact CG-CG 4.41Å; E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 VanDerWaalsContact O-CG 3.32Å; E179-R183 WeakPolarHBondContact O-CG 3.45Å; E179-R183 PolarHBondContact O-N 3.19Å; E179-R183 IonicContact OE1-CZ 3.2Å; E179-R183 VanDerWaalsContact OE1-CZ 3.28Å; E179-R183 IonicContact OE1-NE 3.71Å; E179-R183 PolarHBondContact OE1-NE 3.28Å; E179-R183 IonicContact OE1-NH2 3.16Å; E179-R183 PolarHBondContact OE1-NH2 3.38Å; E179-R337 VanDerWaalsContact CD-CD 3.45Å; E179-R337 WeakPolarHBondContact OE1-CD 3.36Å; E179-R337 IonicContact OE1-CZ 3.57Å; E179-R337 IonicContact OE1-NE 3.77Å; E179-R337 IonicContact OE1-NH1 2.63Å; E179-R337 PolarHBondContact OE1-NH1 3.01Å; E179-R337 IonicContact OE2-CZ 3.75Å; E179-R337 IonicContact OE2-NE 2.76Å; E179-R337 PolarHBondContact OE2-NE 3.49Å; E179-R337 IonicContact OE2-NH1 3.56Å; E179-R337 PolarHBondContact OE2-NH1 3.08Å; E179-R337 IonicContact OE2-NH2 2.76Å; E179-R337 PolarHBondContact OE2-NH2 2.98Å |
| 180 | M | 90.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.8 | -38.8 | 174.9 | -66.5 | -168.5 | -81.8 | 0 | 0 | 111.5 | L99 P101 P152 L174 E176 A177 L185 L189 | L99-M180 HydrophobicContact CB-CE 4.48Å; L99-M180 HydrophobicContact CB-SD 4.16Å; P101-M180 HydrophobicContact CB-CG 3.79Å; P101-M180 HydrophobicContact CG-CG 4.33Å; P152-M180 HydrophobicContact CG-SD 3.87Å; L174-M180 HydrophobicContact CB-CE 3.61Å; L174-M180 HydrophobicContact CD2-CE 4.02Å; L174-M180 HydrophobicContact CG-CE 4.27Å; E176-M180 PolarHBondContact O-N 3.07Å; A177-M180 HydrophobicContact CB-CE 4.2Å; A177-M180 PolarHBondContact O-N 2.93Å; M180-L185 HydrophobicContact CB-CB 4.38Å; M180-L185 HydrophobicContact CB-CD1 4.14Å; M180-L185 HydrophobicContact CG-CD1 4.15Å; M180-L185 VanDerWaalsContact O-CB 3.23Å; M180-L185 WeakPolarHBondContact O-CB 3.42Å; M180-L185 WeakPolarHBondContact O-CG 3.39Å; M180-L185 PolarHBondContact O-N 2.86Å; M180-L189 HydrophobicContact CB-CD1 3.89Å; M180-L189 HydrophobicContact SD-CD1 4.38Å; M180-L189 HydrophobicContact SD-CD2 4.02Å |
| 181 | L | 87.5 | Confident | 90.6 | Very high | 27 Ų | 27 | 32.8 Ų | 32.8 | 14% | 0.141 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.4 | -48.2 | 174.1 | -58.8 | 178.7 | 0 | 0 | 0 | 111.6 | A177 D178 E179 R183 G184 L189 H223 L226 F227 | A177-L181 WeakPolarHBondContact O-CG 3.5Å; A177-L181 PolarHBondContact O-N 2.83Å; D178-L181 PolarHBondContact O-N 2.89Å; E179-L181 VanDerWaalsContact C-N 3.27Å; E179-L181 PolarHBondContact O-N 3.13Å; L181-R183 PolarHBondContact O-N 2.95Å; L181-R183 VanDerWaalsContact O-N 3.17Å; L181-G184 PolarHBondContact O-N 3.44Å; L181-L189 HydrophobicContact CD2-CD1 4.47Å; L181-H223 HydrophobicContact CD1-CB 4.1Å; L181-L226 HydrophobicContact CD1-CD2 3.74Å; L181-L226 HydrophobicContact CD2-CD2 3.47Å; L181-L226 VanDerWaalsContact CD2-CD2 3.47Å; L181-L226 HydrophobicContact CG-CD2 4.25Å; L181-F227 HydrophobicContact CD1-CE1 3.75Å; L181-F227 HydrophobicContact CD1-CZ 3.65Å; L181-F227 HydrophobicContact CG-CE1 4.31Å; L181-F227 HydrophobicContact CG-CZ 4.35Å |
| 182 | N | 83.3 | Confident | 90.4 | Very high | 76 Ų | 76 | 32.7 Ų | 32.7 | 41% | 0.406 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -59.4 | -29.2 | 179 | -67.3 | -25.9 | 0 | 0 | 0 | 113 | D178 E179 G184 | D178-N182 PolarHBondContact O-N 3.15Å; D178-N182 PolarHBondContact O-ND2 2.88Å; E179-N182 PolarHBondContact O-N 3.43Å; N182-G184 VanDerWaalsContact C-N 3.27Å; N182-G184 PolarHBondContact O-N 2.92Å |
| 183 | R | 82.6 | Confident | 90.1 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 3.4 | 176.3 | -72.1 | -177.9 | -177 | -126.8 | -3.3 | 114.1 | E179 L181 L185 M334 | E179-R183 HydrophobicContact CG-CG 4.41Å; E179-R183 WeakPolarHBondContact O-CB 3.35Å; E179-R183 VanDerWaalsContact O-CG 3.32Å; E179-R183 WeakPolarHBondContact O-CG 3.45Å; E179-R183 PolarHBondContact O-N 3.19Å; E179-R183 IonicContact OE1-CZ 3.2Å; E179-R183 VanDerWaalsContact OE1-CZ 3.28Å; E179-R183 IonicContact OE1-NE 3.71Å; E179-R183 PolarHBondContact OE1-NE 3.28Å; E179-R183 IonicContact OE1-NH2 3.16Å; E179-R183 PolarHBondContact OE1-NH2 3.38Å; L181-R183 PolarHBondContact O-N 2.95Å; L181-R183 VanDerWaalsContact O-N 3.17Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 HydrophobicContact CB-CD1 4.29Å; R183-L185 HydrophobicContact CB-CG 3.96Å; R183-L185 PolarHBondContact O-N 3.34Å; R183-M334 PolarHBondContact NH2-O 3.27Å |
| 184 | G | 86.1 | Confident | 89.7 | Confident | 54 Ų | 54 | 42 Ų | 42 | 56% | 0.557 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69 | 26.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L181 N182 H186 | L181-G184 PolarHBondContact O-N 3.44Å; N182-G184 VanDerWaalsContact C-N 3.27Å; N182-G184 PolarHBondContact O-N 2.92Å; G184-H186 PolarHBondContact O-N 3.11Å |
| 185 | L | 86 | Confident | 89.5 | Confident | 24 Ų | 24 | 46.4 Ų | 46.4 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | trans | -83.1 | 7.5 | 177.9 | -52.8 | 178.5 | 0 | 0 | 0 | 112.9 | P152 M180 R183 D187 Q188 L189 | P152-L185 HydrophobicContact CG-CD1 4Å; M180-L185 HydrophobicContact CB-CB 4.38Å; M180-L185 HydrophobicContact CB-CD1 4.14Å; M180-L185 HydrophobicContact CG-CD1 4.15Å; M180-L185 VanDerWaalsContact O-CB 3.23Å; M180-L185 WeakPolarHBondContact O-CB 3.42Å; M180-L185 WeakPolarHBondContact O-CG 3.39Å; M180-L185 PolarHBondContact O-N 2.86Å; R183-L185 VanDerWaalsContact C-N 3.31Å; R183-L185 HydrophobicContact CB-CD1 4.29Å; R183-L185 HydrophobicContact CB-CG 3.96Å; R183-L185 PolarHBondContact O-N 3.34Å; L185-D187 PolarHBondContact O-N 3.23Å; L185-Q188 WeakPolarHBondContact O-CB 3.23Å; L185-Q188 PolarHBondContact O-N 3.41Å; L185-Q188 VanDerWaalsContact O-N 3.15Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.04Å | ||
| 186 | H | 87.3 | Confident | 89.4 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 34% | 0.343 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -50.7 | -54.1 | -177.4 | -179.7 | -84.3 | 0 | 0 | 0 | 112.3 | G184 Q188 L189 E190 | G184-H186 PolarHBondContact O-N 3.11Å; H186-Q188 VanDerWaalsContact C-N 3.25Å; H186-Q188 PolarHBondContact O-N 2.8Å; H186-L189 WeakPolarHBondContact O-CB 3.31Å; H186-L189 PolarHBondContact O-N 3.37Å; H186-L189 VanDerWaalsContact O-N 3.08Å; H186-E190 IonicContact CE1-OE2 3.92Å; H186-E190 PolarHBondContact O-N 3.25Å |
| 187 | D | 90.8 | Very high | 89.1 | Confident | 117 Ų | 117 | 47.1 Ų | 47.1 | 63% | 0.626 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -61.3 | -36.1 | -177.5 | -60.4 | -11.4 | 0 | 0 | 0 | 112.3 | L185 E191 | L185-D187 PolarHBondContact O-N 3.23Å; D187-E191 VanDerWaalsContact O-CB 3.26Å; D187-E191 WeakPolarHBondContact O-CB 3.34Å; D187-E191 PolarHBondContact O-N 3.47Å |
| 188 | Q | 93.1 | Very high | 88.6 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 29% | 0.29 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.9 | -42.6 | 177.6 | -60 | 174.3 | 21.7 | 0 | 0 | 110.7 | P152 G153 L156 L185 H186 E191 I192 | P152-Q188 HydrophobicContact CB-CB 4.02Å; G153-Q188 VanDerWaalsContact CA-OE1 3.22Å; L156-Q188 HydrophobicContact CD2-CB 4.15Å; L156-Q188 HydrophobicContact CD2-CG 4.27Å; L185-Q188 WeakPolarHBondContact O-CB 3.23Å; L185-Q188 PolarHBondContact O-N 3.41Å; L185-Q188 VanDerWaalsContact O-N 3.15Å; H186-Q188 VanDerWaalsContact C-N 3.25Å; H186-Q188 PolarHBondContact O-N 2.8Å; Q188-E191 PolarHBondContact O-N 3.42Å; Q188-I192 VanDerWaalsContact O-CG1 3.26Å; Q188-I192 WeakPolarHBondContact O-CG1 3.48Å; Q188-I192 PolarHBondContact O-N 3.31Å |
| 189 | L | 92.4 | Very high | 87.5 | Confident | 20 Ų | 20 | 53 Ų | 53 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 176.5 | -70.1 | 177.6 | 0 | 0 | 0 | 111.5 | L99 P152 L174 M180 L181 L185 H186 E191 I192 Y193 | L99-L189 HydrophobicContact CD1-CD2 3.6Å; P152-L189 HydrophobicContact CB-CD2 4.33Å; P152-L189 HydrophobicContact CG-CD2 3.95Å; L174-L189 HydrophobicContact CD2-CD2 4.16Å; M180-L189 HydrophobicContact CB-CD1 3.89Å; M180-L189 HydrophobicContact SD-CD1 4.38Å; M180-L189 HydrophobicContact SD-CD2 4.02Å; L181-L189 HydrophobicContact CD2-CD1 4.47Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 3.04Å; H186-L189 WeakPolarHBondContact O-CB 3.31Å; H186-L189 PolarHBondContact O-N 3.37Å; H186-L189 VanDerWaalsContact O-N 3.08Å; L189-E191 VanDerWaalsContact C-N 3.3Å; L189-E191 PolarHBondContact O-N 3.28Å; L189-I192 PolarHBondContact O-N 3.28Å; L189-Y193 WeakPolarHBondContact O-CB 3.39Å; L189-Y193 PolarHBondContact O-N 2.89Å |
| 190 | E | 90.8 | Very high | 86.2 | Confident | 88 Ų | 88 | 57.6 Ų | 57.6 | 41% | 0.411 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 177 | -167.1 | -165.9 | 145.4 | 0 | 0 | 111.3 | H186 Y193 R194 | H186-E190 IonicContact CE1-OE2 3.92Å; H186-E190 PolarHBondContact O-N 3.25Å; E190-Y193 WeakPolarHBondContact O-CB 3.17Å; E190-Y193 PolarHBondContact O-N 2.98Å; E190-R194 WeakPolarHBondContact O-CG 3.39Å; E190-R194 PolarHBondContact O-N 3.43Å; E190-R194 IonicContact OE1-NE 2.69Å |
| 191 | E | 92.7 | Very high | 84.7 | Confident | 30 Ų | 30 | 60.9 Ų | 60.9 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 177.6 | -172.7 | 172.7 | 162.8 | 0 | 0 | 113.1 | L156 R160 D187 Q188 L189 R195 | L156-E191 HydrophobicContact CD1-CB 4.15Å; L156-E191 HydrophobicContact CD1-CG 3.65Å; L156-E191 HydrophobicContact CD2-CB 4.14Å; L156-E191 HydrophobicContact CD2-CG 4.24Å; R160-E191 IonicContact CZ-OE1 2.67Å; R160-E191 IonicContact CZ-OE2 3.68Å; R160-E191 IonicContact NE-OE1 3.8Å; R160-E191 PolarHBondContact NE-OE1 2.98Å; R160-E191 IonicContact NE-OE2 3.27Å; R160-E191 VanDerWaalsContact NH2-CD 3.27Å; R160-E191 IonicContact NH2-OE1 3.11Å; R160-E191 PolarHBondContact NH2-OE1 2.87Å; R160-E191 IonicContact NH2-OE2 3.62Å; R160-E191 PolarHBondContact NH2-OE2 2.68Å; D187-E191 VanDerWaalsContact O-CB 3.26Å; D187-E191 WeakPolarHBondContact O-CB 3.34Å; D187-E191 PolarHBondContact O-N 3.47Å; Q188-E191 PolarHBondContact O-N 3.42Å; L189-E191 VanDerWaalsContact C-N 3.3Å; L189-E191 PolarHBondContact O-N 3.28Å; E191-R195 PolarHBondContact O-NH1 2.7Å; E191-R195 VanDerWaalsContact O-NH1 3.15Å; E191-R195 IonicContact OE1-CZ 3.11Å; E191-R195 VanDerWaalsContact OE1-CZ 3.25Å; E191-R195 IonicContact OE1-NH1 2.87Å; E191-R195 PolarHBondContact OE1-NH1 2.63Å; E191-R195 VanDerWaalsContact OE1-NH1 3.17Å; E191-R195 IonicContact OE1-NH2 2.74Å; E191-R195 PolarHBondContact OE1-NH2 3.32Å |
| 192 | I | 93.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 171.2 | -67.6 | 166.6 | 0 | 0 | 0 | 109.7 | L97 L99 P152 V155 L156 L159 Q188 L189 R194 R195 L196 | L97-I192 HydrophobicContact CD2-CG2 4.11Å; L99-I192 HydrophobicContact CD1-CD1 3.79Å; L99-I192 HydrophobicContact CD1-CG2 4.29Å; L99-I192 HydrophobicContact CD2-CD1 4.34Å; P152-I192 HydrophobicContact CB-CD1 4.18Å; V155-I192 HydrophobicContact CB-CD1 4.49Å; V155-I192 HydrophobicContact CG1-CD1 4.24Å; L156-I192 HydrophobicContact CB-CD1 4.37Å; L156-I192 HydrophobicContact CB-CG1 4.22Å; L156-I192 HydrophobicContact CD1-CG1 4.14Å; L159-I192 HydrophobicContact CD1-CG1 4.01Å; L159-I192 HydrophobicContact CD1-CG2 4.31Å; Q188-I192 VanDerWaalsContact O-CG1 3.26Å; Q188-I192 WeakPolarHBondContact O-CG1 3.48Å; Q188-I192 PolarHBondContact O-N 3.31Å; L189-I192 PolarHBondContact O-N 3.28Å; I192-R194 VanDerWaalsContact C-N 3.32Å; I192-R194 PolarHBondContact O-N 3.42Å; I192-R195 WeakPolarHBondContact O-CB 3.45Å; I192-R195 PolarHBondContact O-N 3.19Å; I192-L196 PolarHBondContact O-N 3.42Å |
| 193 | Y | 91.6 | Very high | 82.1 | Confident | 57 Ų | 57 | 71.4 Ų | 71.4 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.8 | -43.2 | 179.9 | -169.8 | -88.7 | 0 | 0 | 0 | 112.1 | L189 E190 R195 L196 V208 I212 L230 | L189-Y193 WeakPolarHBondContact O-CB 3.39Å; L189-Y193 PolarHBondContact O-N 2.89Å; E190-Y193 WeakPolarHBondContact O-CB 3.17Å; E190-Y193 PolarHBondContact O-N 2.98Å; Y193-R195 PolarHBondContact O-N 2.81Å; Y193-R195 VanDerWaalsContact O-N 3.15Å; Y193-L196 HydrophobicContact CD2-CD1 3.64Å; Y193-L196 HydrophobicContact CE2-CD1 4.08Å; Y193-L196 HydrophobicContact CG-CD1 4.05Å; Y193-L196 WeakPolarHBondContact O-CB 3.36Å; Y193-L196 VanDerWaalsContact O-CG 3.27Å; Y193-L196 WeakPolarHBondContact O-CG 3.42Å; Y193-L196 PolarHBondContact O-N 3.39Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; Y193-V208 HydrophobicContact CE1-CG2 3.92Å; Y193-V208 HydrophobicContact CE2-CG2 4.46Å; Y193-I212 HydrophobicContact CD2-CD1 4.4Å; Y193-I212 HydrophobicContact CE2-CD1 3.53Å; Y193-L230 HydrophobicContact CD1-CD2 4.42Å; Y193-L230 HydrophobicContact CD2-CD2 3.69Å; Y193-L230 HydrophobicContact CE1-CD2 4.47Å; Y193-L230 HydrophobicContact CE2-CB 3.97Å; Y193-L230 HydrophobicContact CE2-CD2 3.7Å; Y193-L230 HydrophobicContact CE2-CG 4.41Å; Y193-L230 WeakPolarHBondContact CE2-O 3.35Å; Y193-L230 HydrophobicContact CG-CD2 4.05Å; Y193-L230 PolarHBondContact OH-O 2.98Å |
| 194 | R | 89.7 | Confident | 80.8 | Confident | 144 Ų | 144 | 74.6 Ų | 74.6 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -20.8 | 177 | -76.1 | -174.7 | -72.7 | 162.5 | -6 | 114.1 | E190 I192 | E190-R194 WeakPolarHBondContact O-CG 3.39Å; E190-R194 PolarHBondContact O-N 3.43Å; E190-R194 IonicContact OE1-NE 2.69Å; I192-R194 VanDerWaalsContact C-N 3.32Å; I192-R194 PolarHBondContact O-N 3.42Å |
| 195 | R | 91.2 | Very high | 79.4 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 37% | 0.37 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.5 | 178.1 | -72.8 | 172.5 | 171.2 | 69.6 | -11.6 | 113.8 | E191 I192 Y193 | E191-R195 PolarHBondContact O-NH1 2.7Å; E191-R195 VanDerWaalsContact O-NH1 3.15Å; E191-R195 IonicContact OE1-CZ 3.11Å; E191-R195 VanDerWaalsContact OE1-CZ 3.25Å; E191-R195 IonicContact OE1-NH1 2.87Å; E191-R195 PolarHBondContact OE1-NH1 2.63Å; E191-R195 VanDerWaalsContact OE1-NH1 3.17Å; E191-R195 IonicContact OE1-NH2 2.74Å; E191-R195 PolarHBondContact OE1-NH2 3.32Å; I192-R195 WeakPolarHBondContact O-CB 3.45Å; I192-R195 PolarHBondContact O-N 3.19Å; Y193-R195 PolarHBondContact O-N 2.81Å; Y193-R195 VanDerWaalsContact O-N 3.15Å |
| 196 | L | 91.7 | Very high | 78.1 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 3% | 0.026 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -65.6 | 149.8 | 176.8 | -60.1 | 173.4 | 0 | 0 | 0 | 111 | L166 L169 L172 I192 Y193 S198 V208 | L166-L196 HydrophobicContact CD1-CD2 4.14Å; L169-L196 HydrophobicContact CD2-CD2 3.41Å; L169-L196 VanDerWaalsContact CD2-CD2 3.41Å; L172-L196 HydrophobicContact CD2-CD1 3.82Å; L172-L196 HydrophobicContact CD2-CD2 4.21Å; I192-L196 PolarHBondContact O-N 3.42Å; Y193-L196 HydrophobicContact CD2-CD1 3.64Å; Y193-L196 HydrophobicContact CE2-CD1 4.08Å; Y193-L196 HydrophobicContact CG-CD1 4.05Å; Y193-L196 WeakPolarHBondContact O-CB 3.36Å; Y193-L196 VanDerWaalsContact O-CG 3.27Å; Y193-L196 WeakPolarHBondContact O-CG 3.42Å; Y193-L196 PolarHBondContact O-N 3.39Å; Y193-L196 VanDerWaalsContact O-N 3.09Å; L196-S198 PolarHBondContact O-N 3.21Å; L196-S198 PolarHBondContact O-OG 3.29Å; L196-V208 HydrophobicContact CB-CG1 3.93Å; L196-V208 HydrophobicContact CD1-CG1 3.96Å |
| 197 | P | 84.9 | Confident | 77.1 | Confident | 26 Ų | 26 | 82.6 Ų | 82.6 | 17% | 0.169 | 41% | 0.409 | C | S | . | . | trans | -52.7 | 130.4 | 170.7 | -25.8 | 36.1 | 0 | 0 | 0 | 110 | L166 L169 V208 N209 | L166-P197 WeakPolarHBondContact O-CG 3.3Å; L169-P197 HydrophobicContact CB-CG 4.12Å; P197-V208 WeakPolarHBondContact O-CA 3.47Å; P197-N209 HydrophobicContact CB-CB 4.48Å; P197-N209 PolarHBondContact O-N 3.16Å | ||
| 198 | S | 80.5 | Confident | 76.2 | Confident | 48 Ų | 48 | 79 Ų | 79 | 34% | 0.336 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.1 | -178.9 | 39.4 | 0 | 0 | 0 | 0 | 109.2 | L196 K206 S207 | L196-S198 PolarHBondContact O-N 3.21Å; L196-S198 PolarHBondContact O-OG 3.29Å; S198-K206 VanDerWaalsContact CB-CE 3.47Å; S198-K206 WeakPolarHBondContact OG-CE 3.21Å; S198-S207 CarbonylContact C-O 3.46Å; S198-S207 VanDerWaalsContact CA-O 3.25Å; S198-S207 WeakPolarHBondContact CA-O 3.49Å |
| 199 | H | 65.2 | Low | 75.8 | Confident | 75 Ų | 75 | 81.2 Ų | 81.2 | 35% | 0.347 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 143.4 | 171.8 | 63.9 | -70 | 0 | 0 | 0 | 108.1 | N201 S207 | H199-N201 PolarHBondContact CD2-OD1 3.36Å; H199-N201 VanDerWaalsContact NE2-CG 3.33Å; H199-N201 PolarHBondContact NE2-ND2 3.24Å; H199-N201 VanDerWaalsContact NE2-ND2 3.11Å; H199-N201 PolarHBondContact NE2-OD1 3.15Å; H199-N201 PolarHBondContact O-N 2.96Å; H199-S207 PolarHBondContact N-O 2.98Å; H199-S207 PolarHBondContact ND1-O 3.08Å; H199-S207 VanDerWaalsContact ND1-O 3.09Å; H199-S207 PolarHBondContact O-N 2.87Å |
| 200 | T | 59.7 | Low | 75.8 | Confident | 105 Ų | 105 | 81 Ų | 81 | 64% | 0.644 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 115 | 167.2 | 19.4 | 0 | 0 | 0 | 0 | 107.8 | ||
| 201 | N | 58.3 | Low | 76 | Confident | 69 Ų | 69 | 77.3 Ų | 77.3 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | trans | -73.7 | 166.6 | 172.5 | -87 | -39 | 0 | 0 | 0 | 111.3 | H199 N203 N204 K205 S207 | H199-N201 PolarHBondContact CD2-OD1 3.36Å; H199-N201 VanDerWaalsContact NE2-CG 3.33Å; H199-N201 PolarHBondContact NE2-ND2 3.24Å; H199-N201 VanDerWaalsContact NE2-ND2 3.11Å; H199-N201 PolarHBondContact NE2-OD1 3.15Å; H199-N201 PolarHBondContact O-N 2.96Å; N201-N203 PolarHBondContact O-N 3.17Å; N201-N204 PolarHBondContact O-N 3.26Å; N201-K205 PolarHBondContact N-O 2.87Å; N201-S207 VanDerWaalsContact ND2-CB 3.31Å; N201-S207 WeakPolarHBondContact ND2-CB 3.27Å; N201-S207 PolarHBondContact ND2-OG 2.97Å | ||
| 202 | L | 54.2 | Low | 76.2 | Confident | 176 Ų | 176 | 76 Ų | 76 | 92% | 0.921 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -26.8 | -179.6 | -99 | 80.7 | 0 | 0 | 0 | 113.9 | N204 | L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 2.78Å |
| 203 | N | 62.8 | Low | 76.4 | Confident | 149 Ų | 149 | 76 Ų | 76 | 80% | 0.797 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 20.4 | 177.9 | -63.2 | -20.2 | 0 | 0 | 0 | 113.9 | N201 K205 | N201-N203 PolarHBondContact O-N 3.17Å; N203-K205 PolarHBondContact O-N 2.85Å |
| 204 | N | 53.8 | Low | 76.6 | Confident | 145 Ų | 145 | 73.3 Ų | 73.3 | 78% | 0.775 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 54 | 18.1 | -173.1 | -75.6 | -28.7 | 0 | 0 | 0 | 115 | N201 L202 | N201-N204 PolarHBondContact O-N 3.26Å; L202-N204 VanDerWaalsContact C-N 3.29Å; L202-N204 PolarHBondContact O-N 2.78Å |
| 205 | K | 57 | Low | 76.7 | Confident | 154 Ų | 154 | 66.6 Ų | 66.6 | 67% | 0.67 | 35% | 0.345 | S | S | * | . | trans | -90.1 | 117.1 | 177.5 | -164.4 | 173.1 | -178.4 | 179.9 | 0 | 109.5 | N201 N203 S207 | N201-K205 PolarHBondContact N-O 2.87Å; N203-K205 PolarHBondContact O-N 2.85Å; K205-S207 PolarHBondContact O-N 3.48Å; K205-S207 VanDerWaalsContact O-N 3.15Å; K205-S207 PolarHBondContact O-OG 3.47Å | ||
| 206 | K | 59.5 | Low | 76.6 | Confident | 132 Ų | 132 | 62 Ų | 62 | 57% | 0.574 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 111.7 | 172.8 | -168.3 | 175.1 | -179.1 | -177.6 | 0 | 108.3 | S198 | S198-K206 VanDerWaalsContact CB-CE 3.47Å; S198-K206 WeakPolarHBondContact OG-CE 3.21Å |
| 207 | S | 64.8 | Low | 76 | Confident | 34 Ų | 34 | 62.2 Ų | 62.2 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.3 | 178.8 | -57.7 | 0 | 0 | 0 | 0 | 108.5 | S198 H199 N201 K205 N209 | S198-S207 CarbonylContact C-O 3.46Å; S198-S207 VanDerWaalsContact CA-O 3.25Å; S198-S207 WeakPolarHBondContact CA-O 3.49Å; H199-S207 PolarHBondContact N-O 2.98Å; H199-S207 PolarHBondContact ND1-O 3.08Å; H199-S207 VanDerWaalsContact ND1-O 3.09Å; H199-S207 PolarHBondContact O-N 2.87Å; N201-S207 VanDerWaalsContact ND2-CB 3.31Å; N201-S207 WeakPolarHBondContact ND2-CB 3.27Å; N201-S207 PolarHBondContact ND2-OG 2.97Å; K205-S207 PolarHBondContact O-N 3.48Å; K205-S207 VanDerWaalsContact O-N 3.15Å; K205-S207 PolarHBondContact O-OG 3.47Å; S207-N209 PolarHBondContact O-N 3.29Å |
| 208 | V | 73.9 | Confident | 75.6 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 129.4 | 178.8 | 178.6 | 0 | 0 | 0 | 0 | 108.2 | Y193 L196 P197 C210 | Y193-V208 HydrophobicContact CE1-CG2 3.92Å; Y193-V208 HydrophobicContact CE2-CG2 4.46Å; L196-V208 HydrophobicContact CB-CG1 3.93Å; L196-V208 HydrophobicContact CD1-CG1 3.96Å; P197-V208 WeakPolarHBondContact O-CA 3.47Å; V208-C210 VanDerWaalsContact C-N 3.29Å; V208-C210 HydrophobicContact CG1-CB 4.43Å; V208-C210 WeakPolarHBondContact CG1-SG 3.19Å; V208-C210 PolarHBondContact O-N 3.34Å |
| 209 | N | 84.6 | Confident | 75.6 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 58% | 0.583 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -97.9 | 46.5 | -179.7 | -167.8 | 19.5 | 0 | 0 | 0 | 110.6 | P197 S207 | P197-N209 HydrophobicContact CB-CB 4.48Å; P197-N209 PolarHBondContact O-N 3.16Å; S207-N209 PolarHBondContact O-N 3.29Å |
| 210 | C | 91.6 | Very high | 76.4 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 10% | 0.101 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -151 | 148 | 171.2 | 70.7 | 0 | 0 | 0 | 0 | 109.6 | L169 R170 V208 | L169-C210 WeakPolarHBondContact O-CB 3.26Å; R170-C210 CarbonylContact O-C 3.6Å; R170-C210 WeakPolarHBondContact O-CA 3.43Å; R170-C210 WeakPolarHBondContact O-CB 3.46Å; V208-C210 VanDerWaalsContact C-N 3.29Å; V208-C210 HydrophobicContact CG1-CB 4.43Å; V208-C210 WeakPolarHBondContact CG1-SG 3.19Å; V208-C210 PolarHBondContact O-N 3.34Å |
| 211 | Q | 95.6 | Very high | 77.4 | Confident | 12 Ų | 12 | 60.9 Ų | 60.9 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 143.1 | 173.1 | 177.5 | -173.1 | 35.9 | 0 | 0 | 110.7 | I59 G62 R63 D64 R170 S171 L172 V213 | I59-Q211 VanDerWaalsContact CA-NE2 3.32Å; I59-Q211 PolarHBondContact O-NE2 3.41Å; I59-Q211 PolarHBondContact O-OE1 3.24Å; G62-Q211 VanDerWaalsContact C-NE2 3.3Å; R63-Q211 WeakPolarHBondContact O-CG 3.25Å; R63-Q211 PolarHBondContact O-NE2 2.83Å; D64-Q211 WeakPolarHBondContact OD1-CA 3.36Å; R170-Q211 PolarHBondContact O-N 2.91Å; S171-Q211 CarbonylContact C-O 3.6Å; S171-Q211 VanDerWaalsContact CA-O 3.28Å; S171-Q211 WeakPolarHBondContact CA-O 3.46Å; S171-Q211 PolarHBondContact OG-OE1 3.37Å; L172-Q211 PolarHBondContact N-O 2.73Å; Q211-V213 HydrophobicContact CG-CG2 4.15Å |
| 212 | I | 96.2 | Very high | 78.6 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 123.1 | 176.4 | -63.2 | 171.4 | 0 | 0 | 0 | 109.9 | D64 L65 L172 Y193 I214 L230 T231 | D64-I212 VanDerWaalsContact CA-O 3.25Å; D64-I212 WeakPolarHBondContact CA-O 3.25Å; D64-I212 PolarHBondContact OD1-N 3.22Å; L65-I212 PolarHBondContact N-O 2.82Å; L172-I212 HydrophobicContact CB-CG1 4.41Å; L172-I212 WeakPolarHBondContact O-CA 3.5Å; Y193-I212 HydrophobicContact CD2-CD1 4.4Å; Y193-I212 HydrophobicContact CE2-CD1 3.53Å; I212-I214 HydrophobicContact CG2-CD1 4.07Å; I212-I214 HydrophobicContact CG2-CG1 3.87Å; I212-L230 WeakPolarHBondContact CD1-O 3.26Å; I212-T231 HydrophobicContact CB-CG2 3.98Å; I212-T231 HydrophobicContact CG2-CG2 3.7Å |
| 213 | V | 97.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 116.7 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 109 | I59 L65 F79 L172 V173 L174 Q211 I215 | I59-V213 HydrophobicContact CD1-CG1 4.12Å; I59-V213 HydrophobicContact CD1-CG2 4.45Å; I59-V213 HydrophobicContact CG1-CG2 4.23Å; I59-V213 HydrophobicContact CG2-CG2 4.27Å; L65-V213 HydrophobicContact CB-CG1 4.27Å; L65-V213 HydrophobicContact CB-CG2 4.41Å; L65-V213 HydrophobicContact CD2-CG1 4.09Å; L65-V213 CarbonylContact O-C 3.59Å; L65-V213 WeakPolarHBondContact O-CA 3.38Å; F79-V213 HydrophobicContact CB-CG1 4.23Å; L172-V213 PolarHBondContact O-N 2.61Å; V173-V213 CarbonylContact C-O 3.53Å; V173-V213 VanDerWaalsContact CA-O 3.25Å; V173-V213 WeakPolarHBondContact CA-O 2.9Å; V173-V213 HydrophobicContact CG1-CB 4.42Å; V173-V213 HydrophobicContact CG1-CG1 4.4Å; V173-V213 HydrophobicContact CG2-CB 4.22Å; L174-V213 PolarHBondContact N-O 3.23Å; Q211-V213 HydrophobicContact CG-CG2 4.15Å; V213-I215 HydrophobicContact CG1-CD1 3.94Å; V213-I215 HydrophobicContact CG1-CG1 4.19Å |
| 214 | I | 95.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 120.8 | -177.6 | -57.6 | -180 | 0 | 0 | 0 | 108.3 | L65 I66 A67 L174 A177 I212 F227 T231 | L65-I214 PolarHBondContact O-N 3.45Å; I66-I214 WeakPolarHBondContact CA-O 3.48Å; I66-I214 HydrophobicContact CG1-CB 4.33Å; I66-I214 HydrophobicContact CG1-CD1 4.47Å; A67-I214 PolarHBondContact N-O 2.91Å; L174-I214 HydrophobicContact CB-CG1 4.43Å; L174-I214 HydrophobicContact CD1-CD1 4.35Å; L174-I214 HydrophobicContact CD1-CG1 4.17Å; L174-I214 HydrophobicContact CG-CG1 4.45Å; A177-I214 HydrophobicContact CB-CG2 3.6Å; I212-I214 HydrophobicContact CG2-CD1 4.07Å; I212-I214 HydrophobicContact CG2-CG1 3.87Å; I214-F227 HydrophobicContact CD1-CB 3.59Å; I214-F227 HydrophobicContact CD1-CD1 3.9Å; I214-F227 HydrophobicContact CD1-CG 3.88Å; I214-F227 HydrophobicContact CG2-CB 4.39Å; I214-F227 HydrophobicContact CG2-CD1 4.07Å; I214-F227 HydrophobicContact CG2-CD2 3.84Å; I214-F227 HydrophobicContact CG2-CE1 4.32Å; I214-F227 HydrophobicContact CG2-CE2 4.1Å; I214-F227 HydrophobicContact CG2-CG 3.84Å; I214-F227 HydrophobicContact CG2-CZ 4.35Å; I214-T231 HydrophobicContact CD1-CG2 3.87Å; I214-T231 HydrophobicContact CG1-CG2 4.46Å |
| 215 | I | 93.1 | Very high | 82.8 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.6 | 178.7 | -54.1 | -59.2 | 0 | 0 | 0 | 108.4 | A67 K75 F79 L174 E176 A177 V213 | A67-I215 HydrophobicContact CB-CD1 3.77Å; A67-I215 WeakPolarHBondContact O-CA 3.5Å; K75-I215 HydrophobicContact CB-CG2 3.78Å; K75-I215 HydrophobicContact CD-CG2 3.72Å; K75-I215 HydrophobicContact CG-CG2 4.24Å; F79-I215 HydrophobicContact CD1-CG1 3.95Å; L174-I215 PolarHBondContact O-N 3.41Å; E176-I215 PolarHBondContact N-O 3.07Å; A177-I215 PolarHBondContact N-O 2.84Å; A177-I215 VanDerWaalsContact N-O 3.08Å; V213-I215 HydrophobicContact CG1-CD1 3.94Å; V213-I215 HydrophobicContact CG1-CG1 4.19Å |
| 216 | S | 88.5 | Confident | 84.2 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 153.8 | 178.5 | 178 | 0 | 0 | 0 | 0 | 111.8 | A67 Q68 A69 D178 T218 | A67-S216 PolarHBondContact O-N 3.19Å; A67-S216 VanDerWaalsContact O-N 3.1Å; Q68-S216 WeakPolarHBondContact CA-O 3.25Å; A69-S216 PolarHBondContact N-O 3.41Å; D178-S216 VanDerWaalsContact CB-OG 3.31Å; D178-S216 WeakPolarHBondContact CB-OG 3.45Å; D178-S216 PolarHBondContact OD1-OG 3.18Å; D178-S216 PolarHBondContact OD2-OG 3.39Å; S216-T218 PolarHBondContact OG-N 2.85Å; S216-T218 PolarHBondContact OG-O 2.93Å |
| 217 | A | 79.5 | Confident | 85.7 | Confident | 10 Ų | 10 | 38 Ų | 38 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -81.7 | -33.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q68 A69 | Q68-A217 PolarHBondContact NE2-O 3.07Å; A69-A217 WeakPolarHBondContact O-CA 3.33Å |
| 218 | T | 77.2 | Confident | 86.8 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.043 | 20% | 0.201 | C | C | . | . | trans | -127.2 | 130.2 | -175.7 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | D178 S216 | D178-T218 WeakPolarHBondContact OD2-CB 3.49Å; D178-T218 PolarHBondContact OD2-N 3.39Å; D178-T218 PolarHBondContact OD2-OG1 3.34Å; S216-T218 PolarHBondContact OG-N 2.85Å; S216-T218 PolarHBondContact OG-O 2.93Å | ||
| 219 | M | 80.7 | Confident | 87.4 | Confident | 19 Ų | 19 | 44.9 Ų | 44.9 | 9% | 0.094 | 22% | 0.223 | C | C | . | . | trans | -117 | 78.9 | -179.6 | -142.6 | 68.9 | 74.8 | 0 | 0 | 109.9 | I66 Q68 L224 F227 L238 | I66-M219 HydrophobicContact CG2-CE 3.59Å; I66-M219 HydrophobicContact CG2-SD 4.14Å; Q68-M219 HydrophobicContact CB-CE 3.91Å; Q68-M219 HydrophobicContact CG-CB 4.37Å; M219-L224 HydrophobicContact CG-CB 4.07Å; M219-L224 HydrophobicContact CG-CD1 3.93Å; M219-L224 HydrophobicContact CG-CG 4.46Å; M219-F227 HydrophobicContact SD-CD2 3.6Å; M219-F227 VanDerWaalsContact SD-CD2 3.6Å; M219-F227 HydrophobicContact SD-CE2 3.72Å; M219-L238 HydrophobicContact CB-CD2 4.48Å; M219-L238 HydrophobicContact CE-CD2 4.27Å; M219-L238 HydrophobicContact CG-CD2 4.15Å | ||
| 220 | L | 80.8 | Confident | 87.4 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | trans | -63 | 151.4 | 169.6 | -58.1 | -174.3 | 0 | 0 | 0 | 109.4 | E222 H223 L224 Y394 | L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.34Å; L220-H223 HydrophobicContact CB-CB 4.38Å; L220-H223 PolarHBondContact O-N 3.44Å; L220-H223 VanDerWaalsContact O-N 3.1Å; L220-L224 PolarHBondContact O-N 3.5Å; L220-Y394 WeakPolarHBondContact CD2-OH 3.42Å | ||
| 221 | K | 81.3 | Confident | 87.3 | Confident | 152 Ų | 152 | 41.4 Ų | 41.4 | 66% | 0.661 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.5 | -45.5 | -178.2 | -175.2 | -179.2 | 173.5 | -173.3 | 0 | 111.8 | H223 L224 E225 | K221-H223 PolarHBondContact O-N 3.47Å; K221-L224 PolarHBondContact O-N 2.91Å; K221-E225 WeakPolarHBondContact CE-OE1 3.26Å; K221-E225 WeakPolarHBondContact O-CG 3.49Å; K221-E225 PolarHBondContact O-N 3.47Å |
| 222 | E | 83.8 | Confident | 86.9 | Confident | 151 Ų | 151 | 45.5 Ų | 45.5 | 71% | 0.706 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -62 | -40.6 | 178.2 | -62.6 | 168.8 | -162.6 | 0 | 0 | 112.4 | L220 L226 | L220-E222 VanDerWaalsContact C-N 3.29Å; L220-E222 PolarHBondContact O-N 3.34Å; E222-L226 PolarHBondContact O-N 3.28Å |
| 223 | H | 86.8 | Confident | 86.5 | Confident | 20 Ų | 20 | 52.4 Ų | 52.4 | 9% | 0.093 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.7 | -41.2 | 176.1 | -62.1 | 175.9 | 0 | 0 | 0 | 111.3 | L181 L220 K221 L226 F227 | L181-H223 HydrophobicContact CD1-CB 4.1Å; L220-H223 HydrophobicContact CB-CB 4.38Å; L220-H223 PolarHBondContact O-N 3.44Å; L220-H223 VanDerWaalsContact O-N 3.1Å; K221-H223 PolarHBondContact O-N 3.47Å; H223-L226 PolarHBondContact O-N 3.11Å; H223-F227 HydrophobicContact CB-CD2 4.36Å; H223-F227 HydrophobicContact CB-CE2 3.84Å; H223-F227 HydrophobicContact CB-CZ 4.23Å; H223-F227 WeakPolarHBondContact O-CB 3.48Å; H223-F227 WeakPolarHBondContact O-CD2 3.41Å; H223-F227 WeakPolarHBondContact O-CG 3.32Å; H223-F227 PolarHBondContact O-N 3.49Å |
| 224 | L | 86 | Confident | 86.3 | Confident | 34 Ų | 34 | 53.5 Ų | 53.5 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 178.9 | -176 | 59.6 | 0 | 0 | 0 | 111.4 | I66 M219 L220 K221 L226 F227 Q228 L238 | I66-L224 HydrophobicContact CD1-CD1 4.33Å; I66-L224 HydrophobicContact CG2-CD1 4.12Å; M219-L224 HydrophobicContact CG-CB 4.07Å; M219-L224 HydrophobicContact CG-CD1 3.93Å; M219-L224 HydrophobicContact CG-CG 4.46Å; L220-L224 PolarHBondContact O-N 3.5Å; K221-L224 PolarHBondContact O-N 2.91Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.03Å; L224-F227 PolarHBondContact O-N 3.25Å; L224-Q228 HydrophobicContact CD1-CG 4.26Å; L224-Q228 HydrophobicContact CG-CG 4.41Å; L224-Q228 WeakPolarHBondContact O-CB 3.16Å; L224-Q228 VanDerWaalsContact O-CG 3.25Å; L224-Q228 WeakPolarHBondContact O-CG 3.2Å; L224-Q228 PolarHBondContact O-N 3.12Å; L224-L238 HydrophobicContact CD2-CD1 4.28Å |
| 225 | E | 85.6 | Confident | 86.1 | Confident | 94 Ų | 94 | 53.6 Ų | 53.6 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 176 | -72.9 | 173 | -168.9 | 0 | 0 | 111.2 | K221 Q228 N229 | K221-E225 WeakPolarHBondContact CE-OE1 3.26Å; K221-E225 WeakPolarHBondContact O-CG 3.49Å; K221-E225 PolarHBondContact O-N 3.47Å; E225-Q228 PolarHBondContact O-N 3.22Å; E225-N229 VanDerWaalsContact O-CG 3.27Å; E225-N229 PolarHBondContact O-N 2.97Å; E225-N229 PolarHBondContact O-ND2 3.33Å |
| 226 | L | 87 | Confident | 86 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 24% | 0.236 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -47.3 | 175.3 | -177.7 | 64.7 | 0 | 0 | 0 | 111.9 | L181 E222 H223 L224 Q228 N229 L230 | L181-L226 HydrophobicContact CD1-CD2 3.74Å; L181-L226 HydrophobicContact CD2-CD2 3.47Å; L181-L226 VanDerWaalsContact CD2-CD2 3.47Å; L181-L226 HydrophobicContact CG-CD2 4.25Å; E222-L226 PolarHBondContact O-N 3.28Å; H223-L226 PolarHBondContact O-N 3.11Å; L224-L226 VanDerWaalsContact C-N 3.33Å; L224-L226 PolarHBondContact O-N 3.03Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 3.4Å; L226-N229 WeakPolarHBondContact O-CB 3.35Å; L226-N229 PolarHBondContact O-N 3.12Å; L226-N229 VanDerWaalsContact O-N 3.15Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 3.29Å; L226-L230 VanDerWaalsContact O-N 3.15Å |
| 227 | F | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -34.8 | 179.9 | -63.8 | -26.9 | 0 | 0 | 0 | 113 | I66 A177 L181 I214 M219 H223 L224 N229 L230 T231 | I66-F227 HydrophobicContact CD1-CB 3.95Å; A177-F227 HydrophobicContact CB-CE1 3.72Å; A177-F227 HydrophobicContact CB-CE2 4.03Å; A177-F227 HydrophobicContact CB-CZ 3.38Å; L181-F227 HydrophobicContact CD1-CE1 3.75Å; L181-F227 HydrophobicContact CD1-CZ 3.65Å; L181-F227 HydrophobicContact CG-CE1 4.31Å; L181-F227 HydrophobicContact CG-CZ 4.35Å; I214-F227 HydrophobicContact CD1-CB 3.59Å; I214-F227 HydrophobicContact CD1-CD1 3.9Å; I214-F227 HydrophobicContact CD1-CG 3.88Å; I214-F227 HydrophobicContact CG2-CB 4.39Å; I214-F227 HydrophobicContact CG2-CD1 4.07Å; I214-F227 HydrophobicContact CG2-CD2 3.84Å; I214-F227 HydrophobicContact CG2-CE1 4.32Å; I214-F227 HydrophobicContact CG2-CE2 4.1Å; I214-F227 HydrophobicContact CG2-CG 3.84Å; I214-F227 HydrophobicContact CG2-CZ 4.35Å; M219-F227 HydrophobicContact SD-CD2 3.6Å; M219-F227 VanDerWaalsContact SD-CD2 3.6Å; M219-F227 HydrophobicContact SD-CE2 3.72Å; H223-F227 HydrophobicContact CB-CD2 4.36Å; H223-F227 HydrophobicContact CB-CE2 3.84Å; H223-F227 HydrophobicContact CB-CZ 4.23Å; H223-F227 WeakPolarHBondContact O-CB 3.48Å; H223-F227 WeakPolarHBondContact O-CD2 3.41Å; H223-F227 WeakPolarHBondContact O-CG 3.32Å; H223-F227 PolarHBondContact O-N 3.49Å; L224-F227 PolarHBondContact O-N 3.25Å; F227-N229 VanDerWaalsContact C-N 3.33Å; F227-L230 HydrophobicContact CD1-CD1 4.42Å; F227-L230 PolarHBondContact O-N 3.31Å; F227-T231 WeakPolarHBondContact O-CG2 3.33Å; F227-T231 PolarHBondContact O-N 3.02Å; F227-T231 PolarHBondContact O-OG1 3.14Å |
| 228 | Q | 87.4 | Confident | 86.2 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65 | -36.8 | 171.9 | -76.1 | 176.8 | -14.3 | 0 | 0 | 111.8 | I66 L224 E225 L226 L230 T231 | I66-Q228 HydrophobicContact CD1-CG 3.96Å; L224-Q228 HydrophobicContact CD1-CG 4.26Å; L224-Q228 HydrophobicContact CG-CG 4.41Å; L224-Q228 WeakPolarHBondContact O-CB 3.16Å; L224-Q228 VanDerWaalsContact O-CG 3.25Å; L224-Q228 WeakPolarHBondContact O-CG 3.2Å; L224-Q228 PolarHBondContact O-N 3.12Å; E225-Q228 PolarHBondContact O-N 3.22Å; L226-Q228 VanDerWaalsContact C-N 3.33Å; L226-Q228 PolarHBondContact O-N 3.4Å; Q228-L230 VanDerWaalsContact C-N 3.29Å; Q228-L230 PolarHBondContact O-N 3.34Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.15Å; Q228-T231 PolarHBondContact O-N 3.09Å; Q228-T231 VanDerWaalsContact O-O 3.05Å; Q228-T231 PolarHBondContact O-OG1 2.98Å |
| 229 | N | 86.5 | Confident | 86.1 | Confident | 131 Ų | 131 | 55.3 Ų | 55.3 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -69.1 | -26.5 | 175.2 | -70.6 | -29.9 | 0 | 0 | 0 | 113.5 | E225 L226 F227 | E225-N229 VanDerWaalsContact O-CG 3.27Å; E225-N229 PolarHBondContact O-N 2.97Å; E225-N229 PolarHBondContact O-ND2 3.33Å; L226-N229 WeakPolarHBondContact O-CB 3.35Å; L226-N229 PolarHBondContact O-N 3.12Å; L226-N229 VanDerWaalsContact O-N 3.15Å; F227-N229 VanDerWaalsContact C-N 3.33Å |
| 230 | L | 86.3 | Confident | 85.4 | Confident | 34 Ų | 34 | 55.4 Ų | 55.4 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -78.7 | -23.3 | 175.6 | -64.6 | 177.3 | 0 | 0 | 0 | 112.6 | L174 Y193 I212 L226 F227 Q228 | L174-L230 HydrophobicContact CD1-CD1 4.43Å; Y193-L230 HydrophobicContact CD1-CD2 4.42Å; Y193-L230 HydrophobicContact CD2-CD2 3.69Å; Y193-L230 HydrophobicContact CE1-CD2 4.47Å; Y193-L230 HydrophobicContact CE2-CB 3.97Å; Y193-L230 HydrophobicContact CE2-CD2 3.7Å; Y193-L230 HydrophobicContact CE2-CG 4.41Å; Y193-L230 WeakPolarHBondContact CE2-O 3.35Å; Y193-L230 HydrophobicContact CG-CD2 4.05Å; Y193-L230 PolarHBondContact OH-O 2.98Å; I212-L230 WeakPolarHBondContact CD1-O 3.26Å; L226-L230 WeakPolarHBondContact O-CG 3.31Å; L226-L230 PolarHBondContact O-N 3.29Å; L226-L230 VanDerWaalsContact O-N 3.15Å; F227-L230 HydrophobicContact CD1-CD1 4.42Å; F227-L230 PolarHBondContact O-N 3.31Å; Q228-L230 VanDerWaalsContact C-N 3.29Å; Q228-L230 PolarHBondContact O-N 3.34Å |
| 231 | T | 88.7 | Confident | 84.7 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 10% | 0.104 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -107.1 | 168.5 | -173.2 | 51.7 | 0 | 0 | 0 | 0 | 112 | D64 I66 I212 I214 F227 Q228 P234 | D64-T231 HydrophobicContact CB-CG2 4.13Å; D64-T231 VanDerWaalsContact OD2-CA 3.27Å; D64-T231 WeakPolarHBondContact OD2-CA 3.48Å; D64-T231 WeakPolarHBondContact OD2-CB 3.23Å; I66-T231 HydrophobicContact CG1-CG2 4.38Å; I212-T231 HydrophobicContact CB-CG2 3.98Å; I212-T231 HydrophobicContact CG2-CG2 3.7Å; I214-T231 HydrophobicContact CD1-CG2 3.87Å; I214-T231 HydrophobicContact CG1-CG2 4.46Å; F227-T231 WeakPolarHBondContact O-CG2 3.33Å; F227-T231 PolarHBondContact O-N 3.02Å; F227-T231 PolarHBondContact O-OG1 3.14Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.15Å; Q228-T231 PolarHBondContact O-N 3.09Å; Q228-T231 VanDerWaalsContact O-O 3.05Å; Q228-T231 PolarHBondContact O-OG1 2.98Å; T231-P234 HydrophobicContact CG2-CB 4.37Å; T231-P234 WeakPolarHBondContact OG1-CG 3.47Å |
| 232 | S | 87.3 | Confident | 83.8 | Confident | 98 Ų | 98 | 55.1 Ų | 55.1 | 69% | 0.685 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -126.3 | 102.3 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | D64 | D64-S232 PolarHBondContact OD2-N 3.02Š|
| 233 | N | 87.7 | Confident | 82.7 | Confident | 148 Ų | 148 | 50.4 Ų | 50.4 | 79% | 0.791 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 51.8 | 59.1 | -175.6 | -169.7 | 39.8 | 0 | 0 | 0 | 112.6 | ||
| 234 | P | 91.9 | Very high | 81.4 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -69 | 147.8 | -176.9 | 31.8 | -37.7 | 0 | 0 | 0 | 111.6 | D64 I66 T231 C236 | D64-P234 HydrophobicContact CB-CB 3.98Å; D64-P234 CarbonylContact O-C 3.59Å; D64-P234 WeakPolarHBondContact O-CA 3.2Å; I66-P234 HydrophobicContact CD1-CB 4.05Å; I66-P234 HydrophobicContact CD1-CG 3.76Å; I66-P234 HydrophobicContact CG1-CB 3.94Å; I66-P234 HydrophobicContact CG1-CG 4.22Å; T231-P234 HydrophobicContact CG2-CB 4.37Å; T231-P234 WeakPolarHBondContact OG1-CG 3.47Å; P234-C236 PolarHBondContact O-N 3.25Å |
| 235 | V | 93.1 | Very high | 80 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 122.2 | 159.4 | -173.9 | 0 | 0 | 0 | 0 | 107.5 | L21 Q58 R63 D64 L65 I66 V237 | L21-V235 HydrophobicContact CD1-CG1 3.7Å; L21-V235 HydrophobicContact CD2-CG1 3.93Å; L21-V235 HydrophobicContact CG-CG1 4.35Å; Q58-V235 HydrophobicContact CB-CG2 4.33Å; Q58-V235 HydrophobicContact CG-CG1 4.47Å; Q58-V235 HydrophobicContact CG-CG2 4.47Å; R63-V235 HydrophobicContact CB-CG2 4.1Å; D64-V235 PolarHBondContact O-N 3.33Å; L65-V235 WeakPolarHBondContact CA-O 3.22Å; L65-V235 HydrophobicContact CD1-CB 3.96Å; L65-V235 HydrophobicContact CD1-CG1 4.16Å; L65-V235 WeakPolarHBondContact CD1-O 3.49Å; I66-V235 PolarHBondContact N-O 3.24Å; V235-V237 HydrophobicContact CG1-CG2 4.19Å |
| 236 | C | 90.9 | Very high | 78.9 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 10% | 0.101 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 124.4 | 174.2 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | L17 S18 I66 P234 L238 | L17-C236 CarbonylContact C-O 3.59Å; L17-C236 WeakPolarHBondContact CA-O 3.47Å; S18-C236 PolarHBondContact N-O 2.93Å; S18-C236 PolarHBondContact OG-N 3Å; I66-C236 CarbonylContact O-C 3.55Å; I66-C236 WeakPolarHBondContact O-CA 3.15Å; P234-C236 PolarHBondContact O-N 3.25Å; C236-L238 HydrophobicContact CB-CG 4.26Å |
| 237 | V | 88.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 91.8 | 171.2 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | F15 L17 L21 I51 T55 L65 I66 A67 Q68 V235 | F15-V237 HydrophobicContact CB-CG1 4.38Å; F15-V237 HydrophobicContact CD1-CG1 3.39Å; F15-V237 HydrophobicContact CE1-CG1 3.94Å; F15-V237 HydrophobicContact CG-CG1 4.14Å; L17-V237 HydrophobicContact CD2-CB 4Å; L17-V237 HydrophobicContact CD2-CG1 3.72Å; L17-V237 HydrophobicContact CD2-CG2 3.56Å; L21-V237 HydrophobicContact CD1-CG2 3.94Å; I51-V237 HydrophobicContact CD1-CB 4.33Å; I51-V237 HydrophobicContact CD1-CG1 3.57Å; T55-V237 HydrophobicContact CG2-CB 4.2Å; T55-V237 HydrophobicContact CG2-CG1 4.34Å; T55-V237 HydrophobicContact CG2-CG2 3.63Å; L65-V237 HydrophobicContact CD1-CG2 4.1Å; I66-V237 PolarHBondContact O-N 3.49Å; A67-V237 CarbonylContact C-O 3.59Å; A67-V237 WeakPolarHBondContact CA-O 3.45Å; A67-V237 HydrophobicContact CB-CB 4.36Å; Q68-V237 PolarHBondContact N-O 2.85Å; V235-V237 HydrophobicContact CG1-CG2 4.19Å |
| 238 | L | 83.7 | Confident | 76.7 | Confident | 35 Ų | 35 | 51.8 Ų | 51.8 | 18% | 0.183 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 145.1 | -175.2 | -55.5 | 179.9 | 0 | 0 | 0 | 110 | F15 N16 I66 Q68 M219 L224 C236 | F15-L238 CarbonylContact C-O 3.57Å; F15-L238 VanDerWaalsContact CA-O 3.29Å; F15-L238 WeakPolarHBondContact CA-O 3.38Å; N16-L238 HydrophobicContact CB-CB 4.31Å; N16-L238 PolarHBondContact N-O 3.38Å; N16-L238 PolarHBondContact O-N 3.33Å; I66-L238 HydrophobicContact CG2-CD2 4.5Å; Q68-L238 HydrophobicContact CB-CD2 4Å; M219-L238 HydrophobicContact CB-CD2 4.48Å; M219-L238 HydrophobicContact CE-CD2 4.27Å; M219-L238 HydrophobicContact CG-CD2 4.15Å; L224-L238 HydrophobicContact CD2-CD1 4.28Å; C236-L238 HydrophobicContact CB-CG 4.26Å |
| 239 | V | 74.5 | Confident | 76.3 | Confident | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | -102.9 | 127.1 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | F15 Q68 E243 L244 | F15-V239 HydrophobicContact CD1-CG2 3.59Å; F15-V239 HydrophobicContact CE1-CG2 3.31Å; F15-V239 HydrophobicContact CZ-CG2 4.05Å; Q68-V239 PolarHBondContact OE1-O 3.25Å; V239-E243 HydrophobicContact CG1-CB 3.83Å; V239-L244 HydrophobicContact CB-CD2 3.91Å; V239-L244 HydrophobicContact CG1-CD2 4.02Å; V239-L244 HydrophobicContact CG1-CG 4.47Å | ||
| 240 | P | 67 | Low | 76.3 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | trans | -46.6 | 145 | 170 | -25.1 | 33.3 | 0 | 0 | 0 | 111.9 | D14 D242 E243 L244 | D14-P240 WeakPolarHBondContact O-CD 3.41Å; P240-D242 VanDerWaalsContact C-N 3.31Å; P240-D242 WeakPolarHBondContact CB-OD1 3.32Å; P240-D242 PolarHBondContact O-N 2.9Å; P240-E243 HydrophobicContact CB-CB 4.41Å; P240-E243 HydrophobicContact CB-CG 4.35Å; P240-E243 VanDerWaalsContact CD-OE2 3.3Å; P240-E243 WeakPolarHBondContact CD-OE2 3.31Å; P240-E243 WeakPolarHBondContact CG-OE2 3.37Å; P240-E243 CarbonylContact O-C 3.57Å; P240-E243 PolarHBondContact O-N 3.25Å; P240-E243 VanDerWaalsContact O-N 3.08Å; P240-L244 PolarHBondContact O-N 3.45Å | ||
| 241 | R | 65.2 | Low | 76.5 | Confident | 114 Ų | 114 | 44 Ų | 44 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -64.5 | -37.5 | -171.3 | -71.2 | -175.1 | -178.9 | -175 | 0.6 | 113 | E243 L244 | R241-E243 PolarHBondContact O-N 3.16Å; R241-L244 HydrophobicContact CB-CD1 4.37Å; R241-L244 HydrophobicContact CG-CD1 4.34Å; R241-L244 WeakPolarHBondContact O-CB 3.35Å; R241-L244 PolarHBondContact O-N 3.49Å |
| 242 | D | 61.9 | Low | 76.8 | Confident | 81 Ų | 81 | 44 Ų | 44 | 43% | 0.433 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -60 | -30.7 | 174.1 | 46.2 | -33.4 | 0 | 0 | 0 | 112.7 | P240 Q396 | P240-D242 VanDerWaalsContact C-N 3.31Å; P240-D242 WeakPolarHBondContact CB-OD1 3.32Å; P240-D242 PolarHBondContact O-N 2.9Å; D242-Q396 HydrophobicContact CB-CB 4.39Å |
| 243 | E | 61.9 | Low | 77.2 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 24% | 0.238 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -95.2 | 3.5 | 177.7 | -64 | 174.9 | 176.3 | 0 | 0 | 113.3 | D14 Q70 V239 P240 R241 S245 | D14-E243 VanDerWaalsContact C-OE2 3.27Å; D14-E243 WeakPolarHBondContact CA-OE2 3.47Å; D14-E243 WeakPolarHBondContact CB-OE2 3.35Å; D14-E243 VanDerWaalsContact O-OE2 3.04Å; Q70-E243 PolarHBondContact NE2-O 3.44Å; V239-E243 HydrophobicContact CG1-CB 3.83Å; P240-E243 HydrophobicContact CB-CB 4.41Å; P240-E243 HydrophobicContact CB-CG 4.35Å; P240-E243 VanDerWaalsContact CD-OE2 3.3Å; P240-E243 WeakPolarHBondContact CD-OE2 3.31Å; P240-E243 WeakPolarHBondContact CG-OE2 3.37Å; P240-E243 CarbonylContact O-C 3.57Å; P240-E243 PolarHBondContact O-N 3.25Å; P240-E243 VanDerWaalsContact O-N 3.08Å; R241-E243 PolarHBondContact O-N 3.16Å; E243-S245 PolarHBondContact O-N 3.3Å |
| 244 | L | 58.4 | Low | 77.6 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -72.8 | -12.9 | 172.8 | -69.1 | 170.9 | 0 | 0 | 0 | 113.2 | Q68 Q70 V239 P240 R241 L360 Y395 | Q68-L244 HydrophobicContact CG-CD2 4.26Å; Q70-L244 VanDerWaalsContact CD-O 3.3Å; Q70-L244 PolarHBondContact NE2-O 3.07Å; V239-L244 HydrophobicContact CB-CD2 3.91Å; V239-L244 HydrophobicContact CG1-CD2 4.02Å; V239-L244 HydrophobicContact CG1-CG 4.47Å; P240-L244 PolarHBondContact O-N 3.45Å; R241-L244 HydrophobicContact CB-CD1 4.37Å; R241-L244 HydrophobicContact CG-CD1 4.34Å; R241-L244 WeakPolarHBondContact O-CB 3.35Å; R241-L244 PolarHBondContact O-N 3.49Å; L244-L360 HydrophobicContact CB-CD1 4.01Å; L244-Y395 HydrophobicContact CD1-CD1 4.49Å |
| 245 | S | 57.1 | Low | 77.7 | Confident | 34 Ų | 34 | 39.6 Ų | 39.6 | 24% | 0.238 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -71.8 | 134.9 | 173.6 | 75.8 | 0 | 0 | 0 | 0 | 110.4 | Q70 E243 S247 I397 | Q70-S245 PolarHBondContact NE2-O 3.09Å; E243-S245 PolarHBondContact O-N 3.3Å; S245-S247 PolarHBondContact O-N 2.87Å; S245-S247 VanDerWaalsContact O-N 3.13Å; S245-I397 VanDerWaalsContact CB-CG2 3.44Å |
| 246 | L | 62.9 | Low | 77.8 | Confident | 27 Ų | 27 | 40 Ų | 40 | 14% | 0.141 | 21% | 0.209 | C | C | . | . | trans | -70.9 | 105.2 | 174.1 | -72.7 | 154 | 0 | 0 | 0 | 106.9 | Q70 D248 L249 | Q70-L246 HydrophobicContact CB-CD2 4.39Å; L246-D248 PolarHBondContact O-N 3.11Å; L246-D248 VanDerWaalsContact O-N 3.15Å; L246-L249 HydrophobicContact CB-CB 3.62Å; L246-L249 HydrophobicContact CB-CD2 4.31Å; L246-L249 HydrophobicContact CD1-CD2 3.98Å; L246-L249 WeakPolarHBondContact O-CB 3.43Å; L246-L249 PolarHBondContact O-N 3.37Å | ||
| 247 | S | 62.3 | Low | 77.8 | Confident | 89 Ų | 89 | 41.5 Ų | 41.5 | 62% | 0.622 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53 | -34.2 | -179.5 | 49 | 0 | 0 | 0 | 0 | 112.7 | S245 L249 | S245-S247 PolarHBondContact O-N 2.87Å; S245-S247 VanDerWaalsContact O-N 3.13Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 2.74Å |
| 248 | D | 67.6 | Low | 78.1 | Confident | 66 Ų | 66 | 43.1 Ų | 43.1 | 35% | 0.353 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | 1.4 | 179.7 | -64 | -37.3 | 0 | 0 | 0 | 114.8 | L246 G373 | L246-D248 PolarHBondContact O-N 3.11Å; L246-D248 VanDerWaalsContact O-N 3.15Å; D248-G373 PolarHBondContact O-N 2.87Å; D248-G373 VanDerWaalsContact O-N 3.11Å |
| 249 | L | 78.9 | Confident | 78.6 | Confident | 7 Ų | 7 | 45 Ų | 45 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 109.2 | -178.8 | 179.1 | 70.7 | 0 | 0 | 0 | 110.4 | L246 S247 Q251 I363 S366 G373 A375 | L246-L249 HydrophobicContact CB-CB 3.62Å; L246-L249 HydrophobicContact CB-CD2 4.31Å; L246-L249 HydrophobicContact CD1-CD2 3.98Å; L246-L249 WeakPolarHBondContact O-CB 3.43Å; L246-L249 PolarHBondContact O-N 3.37Å; S247-L249 VanDerWaalsContact C-N 3.3Å; S247-L249 PolarHBondContact O-N 2.74Å; L249-Q251 HydrophobicContact CD2-CG 4.12Å; L249-Q251 HydrophobicContact CG-CG 4.07Å; L249-Q251 PolarHBondContact O-N 3.4Å; L249-I363 HydrophobicContact CD2-CB 3.59Å; L249-I363 HydrophobicContact CD2-CD1 3.46Å; L249-I363 VanDerWaalsContact CD2-CD1 3.46Å; L249-I363 HydrophobicContact CD2-CG1 3.5Å; L249-S366 WeakPolarHBondContact CD1-OG 3.5Å; L249-G373 VanDerWaalsContact CD1-C 3.5Å; L249-A375 HydrophobicContact CD1-CB 4.06Å; L249-A375 HydrophobicContact CD2-CB 4.3Å; L249-A375 HydrophobicContact CG-CB 4.32Å |
| 250 | Q | 86.4 | Confident | 79.4 | Confident | 64 Ų | 64 | 51.3 Ų | 51.3 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 127.7 | 172.9 | -65.8 | 178.8 | -24.4 | 0 | 0 | 110.1 | F252 G373 L374 A375 M409 | Q250-F252 HydrophobicContact CB-CE2 3.85Å; Q250-F252 HydrophobicContact CB-CZ 4.43Å; Q250-G373 PolarHBondContact N-O 2.85Å; Q250-L374 HydrophobicContact CB-CD1 4.09Å; Q250-L374 CarbonylContact O-C 2.87Å; Q250-L374 WeakPolarHBondContact O-CA 3.26Å; Q250-A375 PolarHBondContact O-N 3.13Å; Q250-M409 VanDerWaalsContact OE1-CB 3.23Å |
| 251 | Q | 90.9 | Very high | 80.8 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | -174.3 | -64.8 | 169.9 | 69.3 | 0 | 0 | 109.7 | L249 Y359 I363 A375 I399 P400 | L249-Q251 HydrophobicContact CD2-CG 4.12Å; L249-Q251 HydrophobicContact CG-CG 4.07Å; L249-Q251 PolarHBondContact O-N 3.4Å; Q251-Y359 PolarHBondContact OE1-OH 3.38Å; Q251-I363 HydrophobicContact CG-CD1 4.35Å; Q251-A375 CarbonylContact C-O 3.55Å; Q251-A375 WeakPolarHBondContact CA-O 3.31Å; Q251-A375 HydrophobicContact CG-CB 4.2Å; Q251-I399 HydrophobicContact CB-CG1 4.28Å; Q251-I399 HydrophobicContact CB-CG2 4.45Å; Q251-P400 WeakPolarHBondContact O-CD 3.25Å |
| 252 | F | 94.2 | Very high | 82.3 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 8% | 0.075 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 159.1 | 176.6 | -61.9 | -75.2 | 0 | 0 | 0 | 111.5 | Q250 L374 A375 V376 S377 I399 P400 A402 P403 L406 M409 | Q250-F252 HydrophobicContact CB-CE2 3.85Å; Q250-F252 HydrophobicContact CB-CZ 4.43Å; F252-L374 HydrophobicContact CD2-CD1 3.54Å; F252-L374 HydrophobicContact CE2-CD1 3.68Å; F252-A375 PolarHBondContact N-O 3.05Å; F252-V376 CarbonylContact O-C 3.38Å; F252-V376 WeakPolarHBondContact O-CA 3.22Å; F252-S377 PolarHBondContact O-N 3.1Å; F252-I399 VanDerWaalsContact C-CG2 3.47Å; F252-P400 VanDerWaalsContact CA-O 3.29Å; F252-P400 WeakPolarHBondContact CA-O 3.17Å; F252-P400 HydrophobicContact CD1-CG 3.81Å; F252-P400 HydrophobicContact CE1-CG 3.75Å; F252-A402 HydrophobicContact CB-CB 3.92Å; F252-A402 HydrophobicContact CG-CB 4.42Å; F252-P403 HydrophobicContact CE1-CG 4.3Å; F252-P403 HydrophobicContact CZ-CG 4.48Å; F252-L406 HydrophobicContact CD2-CD1 4.49Å; F252-M409 HydrophobicContact CE1-CE 4.45Å; F252-M409 HydrophobicContact CE1-SD 4.26Å; F252-M409 HydrophobicContact CE2-CE 3.98Å; F252-M409 HydrophobicContact CE2-SD 3.66Å; F252-M409 HydrophobicContact CZ-CE 3.41Å; F252-M409 VanDerWaalsContact CZ-CE 3.41Å; F252-M409 HydrophobicContact CZ-SD 3.36Å; F252-M409 WeakPolarHBondContact CZ-SD 3.43Å |
| 253 | Y | 95.7 | Very high | 83.9 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 17% | 0.165 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.2 | 163.7 | 78.8 | -92.4 | 0 | 0 | 0 | 112.3 | D255 S377 I379 L388 I399 P400 P401 A402 | Y253-D255 HydrophobicContact CE2-CB 4.22Å; Y253-S377 CarbonylContact C-O 3.56Å; Y253-S377 WeakPolarHBondContact CA-O 3.48Å; Y253-S377 WeakPolarHBondContact CB-O 3.32Å; Y253-I379 HydrophobicContact CD2-CD1 3.47Å; Y253-I379 VanDerWaalsContact CD2-CD1 3.47Å; Y253-I379 HydrophobicContact CD2-CG1 3.95Å; Y253-I379 HydrophobicContact CE2-CD1 3.58Å; Y253-I379 HydrophobicContact CE2-CG1 4.41Å; Y253-I379 HydrophobicContact CG-CD1 4.4Å; Y253-L388 HydrophobicContact CD1-CD2 3.73Å; Y253-L388 HydrophobicContact CD2-CD2 4.33Å; Y253-L388 HydrophobicContact CE1-CD2 4.44Å; Y253-L388 HydrophobicContact CG-CD2 3.64Å; Y253-I399 HydrophobicContact CD1-CG2 4.27Å; Y253-I399 WeakPolarHBondContact CD1-O 3.5Å; Y253-I399 WeakPolarHBondContact CE1-O 3.41Å; Y253-P400 VanDerWaalsContact CD1-C 3.49Å; Y253-P400 WeakPolarHBondContact CD1-O 3.24Å; Y253-P400 PolarHBondContact N-O 3.44Å; Y253-P401 HydrophobicContact CE1-CB 4.11Å; Y253-P401 HydrophobicContact CE1-CG 3.84Å; Y253-P401 VanDerWaalsContact CE1-N 3.28Å; Y253-P401 HydrophobicContact CE2-CB 4.37Å; Y253-P401 CarbonylContact O-C 3.52Å; Y253-P401 WeakPolarHBondContact O-CA 3.49Å; Y253-P401 WeakPolarHBondContact OH-CG 3.39Å; Y253-A402 WeakPolarHBondContact O-CB 3.35Å; Y253-A402 PolarHBondContact O-N 3.3Å |
| 254 | I | 95.7 | Very high | 85.4 | Confident | 42 Ų | 42 | 50.2 Ų | 50.2 | 22% | 0.215 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 116.9 | 168.8 | -61.7 | -176.1 | 0 | 0 | 0 | 107.4 | V256 V376 S377 F378 I379 A402 | I254-V256 HydrophobicContact CG2-CG1 3.9Å; I254-V256 PolarHBondContact O-N 2.81Å; I254-V376 HydrophobicContact CD1-CG1 3.79Å; I254-V376 HydrophobicContact CG1-CG1 3.81Å; I254-S377 PolarHBondContact N-O 3.24Å; I254-F378 HydrophobicContact CB-CD1 3.91Å; I254-F378 HydrophobicContact CB-CE1 4.14Å; I254-F378 HydrophobicContact CD1-CE1 3.97Å; I254-F378 HydrophobicContact CG1-CE1 4.37Å; I254-F378 WeakPolarHBondContact O-CA 3.36Å; I254-I379 PolarHBondContact O-N 3.27Å; I254-A402 HydrophobicContact CD1-CB 4.12Å; I254-A402 HydrophobicContact CG1-CB 3.54Å |
| 255 | D | 95.1 | Very high | 87.1 | Confident | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 106.1 | 167.2 | -166.1 | -25.4 | 0 | 0 | 0 | 108.9 | Y253 G257 I379 | Y253-D255 HydrophobicContact CE2-CB 4.22Å; D255-G257 PolarHBondContact OD1-N 3.49Å; D255-I379 CarbonylContact C-O 3.24Å; D255-I379 WeakPolarHBondContact CA-O 3.47Å; D255-I379 HydrophobicContact CB-CD1 4.03Å; D255-I379 HydrophobicContact CB-CG1 3.83Å |
| 256 | V | 94.7 | Very high | 88.9 | Confident | 11 Ų | 11 | 49 Ų | 49 | 7% | 0.067 | 26% | 0.257 | C | S | . | . | trans | -89.3 | -5.5 | -179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.9 | I254 S258 W261 K262 A265 F378 I379 A380 | I254-V256 HydrophobicContact CG2-CG1 3.9Å; I254-V256 PolarHBondContact O-N 2.81Å; V256-S258 VanDerWaalsContact CG2-O 3.27Å; V256-S258 WeakPolarHBondContact CG2-O 3.42Å; V256-S258 PolarHBondContact O-N 2.95Å; V256-W261 HydrophobicContact CB-CB 4.4Å; V256-W261 WeakPolarHBondContact O-CB 3.2Å; V256-K262 HydrophobicContact CB-CG 4.49Å; V256-K262 HydrophobicContact CG1-CG 4.48Å; V256-K262 HydrophobicContact CG2-CB 4.5Å; V256-K262 HydrophobicContact CG2-CG 3.53Å; V256-A265 HydrophobicContact CB-CB 4.46Å; V256-A265 HydrophobicContact CG1-CB 3.52Å; V256-F378 HydrophobicContact CG1-CB 4.29Å; V256-F378 HydrophobicContact CG1-CD1 4.43Å; V256-F378 HydrophobicContact CG1-CD2 4.43Å; V256-F378 HydrophobicContact CG1-CG 4.14Å; V256-I379 VanDerWaalsContact CG2-O 3.23Å; V256-I379 WeakPolarHBondContact CG2-O 3.41Å; V256-I379 PolarHBondContact N-O 3.02Å; V256-A380 HydrophobicContact CG2-CB 3.67Å | ||
| 257 | G | 92.1 | Very high | 90.3 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 68.5 | -23.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | D255 A380 | D255-G257 PolarHBondContact OD1-N 3.49Å; G257-A380 CarbonylContact C-O 3.43Å; G257-A380 VanDerWaalsContact C-O 3.24Å |
| 258 | S | 94.1 | Very high | 91.6 | Very high | 33 Ų | 33 | 47.5 Ų | 47.5 | 23% | 0.231 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -158.9 | 149.4 | 175.7 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | V256 E260 W261 | V256-S258 VanDerWaalsContact CG2-O 3.27Å; V256-S258 WeakPolarHBondContact CG2-O 3.42Å; V256-S258 PolarHBondContact O-N 2.95Å; S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 WeakPolarHBondContact OG-CG 3.44Å; S258-E260 PolarHBondContact OG-OE1 2.92Å; S258-W261 PolarHBondContact O-N 2.7Å |
| 259 | E | 93.2 | Very high | 92.8 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 35% | 0.35 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -56.7 | -38 | -179.5 | 177.8 | 59.3 | -151.1 | 0 | 0 | 111.8 | W261 K262 K287 | E259-W261 PolarHBondContact O-N 3.32Å; E259-K262 WeakPolarHBondContact O-CB 3.49Å; E259-K262 PolarHBondContact O-N 3.49Å; E259-K262 WeakPolarHBondContact OE2-CD 3.48Å; E259-K262 VanDerWaalsContact OE2-CE 3.24Å; E259-K262 WeakPolarHBondContact OE2-CE 3.45Å; E259-K262 IonicContact OE2-NZ 3.68Å; E259-K262 PolarHBondContact OE2-NZ 3.26Å; E259-K287 VanDerWaalsContact OE1-CE 3.26Å; E259-K287 WeakPolarHBondContact OE1-CE 3.48Å; E259-K287 IonicContact OE1-NZ 3.24Å; E259-K287 PolarHBondContact OE1-NZ 3.16Å; E259-K287 IonicContact OE2-NZ 3.51Å |
| 260 | E | 93.1 | Very high | 93.3 | Very high | 139 Ų | 139 | 45.7 Ų | 45.7 | 65% | 0.65 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -66.6 | -20.4 | 179.5 | 71.8 | -155.1 | 165.5 | 0 | 0 | 113.4 | S258 | S258-E260 PolarHBondContact O-N 3.2Å; S258-E260 WeakPolarHBondContact OG-CG 3.44Å; S258-E260 PolarHBondContact OG-OE1 2.92Å |
| 261 | W | 95.1 | Very high | 93.4 | Very high | 133 Ų | 133 | 45.6 Ų | 45.6 | 50% | 0.504 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -90.3 | -9.7 | 178.4 | -63.5 | -9.4 | 0 | 0 | 0 | 113 | V256 S258 E259 F263 E264 A265 | V256-W261 HydrophobicContact CB-CB 4.4Å; V256-W261 WeakPolarHBondContact O-CB 3.2Å; S258-W261 PolarHBondContact O-N 2.7Å; E259-W261 PolarHBondContact O-N 3.32Å; W261-F263 VanDerWaalsContact C-N 3.28Å; W261-F263 PolarHBondContact O-N 2.66Å; W261-E264 PolarHBondContact O-N 3.06Å; W261-A265 WeakPolarHBondContact O-CB 3.47Å; W261-A265 PolarHBondContact O-N 2.96Å |
| 262 | K | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -40.3 | 175.9 | -72.5 | -173.2 | 170.2 | 162.3 | 0 | 112.4 | V256 E259 A265 L266 F350 D351 F378 E384 | V256-K262 HydrophobicContact CB-CG 4.49Å; V256-K262 HydrophobicContact CG1-CG 4.48Å; V256-K262 HydrophobicContact CG2-CB 4.5Å; V256-K262 HydrophobicContact CG2-CG 3.53Å; E259-K262 WeakPolarHBondContact O-CB 3.49Å; E259-K262 PolarHBondContact O-N 3.49Å; E259-K262 WeakPolarHBondContact OE2-CD 3.48Å; E259-K262 VanDerWaalsContact OE2-CE 3.24Å; E259-K262 WeakPolarHBondContact OE2-CE 3.45Å; E259-K262 IonicContact OE2-NZ 3.68Å; E259-K262 PolarHBondContact OE2-NZ 3.26Å; K262-A265 PolarHBondContact O-N 3.27Å; K262-L266 WeakPolarHBondContact O-CB 3.38Å; K262-L266 PolarHBondContact O-N 3.13Å; K262-F350 HydrophobicContact CB-CD1 4.38Å; K262-F350 HydrophobicContact CB-CD2 4.49Å; K262-F350 HydrophobicContact CB-CE1 3.62Å; K262-F350 HydrophobicContact CB-CE2 3.78Å; K262-F350 HydrophobicContact CB-CZ 3.3Å; K262-F350 HydrophobicContact CD-CD1 3.9Å; K262-F350 HydrophobicContact CD-CE1 3.67Å; K262-F350 HydrophobicContact CD-CZ 4.27Å; K262-F350 VanDerWaalsContact CD-O 3.26Å; K262-F350 WeakPolarHBondContact CD-O 3.42Å; K262-F350 WeakPolarHBondContact CE-O 3.4Å; K262-F350 HydrophobicContact CG-CE1 4.28Å; K262-F350 HydrophobicContact CG-CZ 4.4Å; K262-F350 PolarHBondContact NZ-O 3.06Å; K262-D351 IonicContact NZ-OD1 3.82Å; K262-D351 PolarHBondContact NZ-OD1 3.33Å; K262-F378 HydrophobicContact CB-CD2 4Å; K262-F378 HydrophobicContact CD-CB 4.34Å; K262-F378 HydrophobicContact CG-CB 4.27Å; K262-F378 HydrophobicContact CG-CD2 4.09Å; K262-F378 WeakPolarHBondContact O-CE2 3.48Å; K262-E384 IonicContact NZ-OE1 3.5Å; K262-E384 PolarHBondContact NZ-OE1 2.66Å; K262-E384 IonicContact NZ-OE2 3.79Å |
| 263 | F | 95.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 46.8 Ų | 46.8 | 11% | 0.114 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68 | -39 | 178.5 | -177.7 | -108.8 | 0 | 0 | 0 | 112.8 | W261 L266 N267 W290 L291 Q294 L295 E298 | W261-F263 VanDerWaalsContact C-N 3.28Å; W261-F263 PolarHBondContact O-N 2.66Å; F263-L266 PolarHBondContact O-N 3.3Å; F263-N267 WeakPolarHBondContact CE1-ND2 3.47Å; F263-N267 WeakPolarHBondContact CZ-ND2 3.39Å; F263-N267 PolarHBondContact O-N 3.48Å; F263-N267 PolarHBondContact O-ND2 2.96Å; F263-W290 HydrophobicContact CB-CH2 4.12Å; F263-L291 HydrophobicContact CD2-CD1 3.73Å; F263-L291 HydrophobicContact CE2-CD1 4.17Å; F263-Q294 HydrophobicContact CD2-CB 3.97Å; F263-Q294 HydrophobicContact CD2-CG 4.48Å; F263-Q294 HydrophobicContact CE1-CB 4.26Å; F263-Q294 HydrophobicContact CE2-CB 3.35Å; F263-Q294 HydrophobicContact CE2-CG 4.29Å; F263-Q294 HydrophobicContact CZ-CB 3.52Å; F263-Q294 HydrophobicContact CZ-CG 4.48Å; F263-L295 HydrophobicContact CE2-CD2 3.81Å; F263-L295 HydrophobicContact CE2-CG 4.14Å; F263-L295 HydrophobicContact CZ-CD2 4.45Å; F263-E298 HydrophobicContact CE1-CG 4.42Å; F263-E298 HydrophobicContact CZ-CG 3.93Å |
| 264 | E | 93.6 | Very high | 91.7 | Very high | 86 Ų | 86 | 50.7 Ų | 50.7 | 40% | 0.402 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 173.7 | -67.7 | -166.6 | 179.4 | 0 | 0 | 111.1 | W261 L266 N267 D268 R453 | W261-E264 PolarHBondContact O-N 3.06Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 2.56Å; E264-N267 PolarHBondContact O-N 3.47Å; E264-D268 PolarHBondContact O-N 3.33Å; E264-R453 IonicContact OE2-CZ 3.45Å; E264-R453 IonicContact OE2-NE 2.73Å; E264-R453 IonicContact OE2-NH2 3.72Å; E264-R453 PolarHBondContact OE2-NH2 3.46Å |
| 265 | A | 94 | Very high | 91.1 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 13% | 0.132 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V256 W261 K262 D268 L269 F378 | V256-A265 HydrophobicContact CB-CB 4.46Å; V256-A265 HydrophobicContact CG1-CB 3.52Å; W261-A265 WeakPolarHBondContact O-CB 3.47Å; W261-A265 PolarHBondContact O-N 2.96Å; K262-A265 PolarHBondContact O-N 3.27Å; A265-D268 PolarHBondContact O-N 2.92Å; A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 PolarHBondContact O-N 3.17Å; A265-F378 HydrophobicContact CB-CE2 4.13Å; A265-F378 HydrophobicContact CB-CZ 4.02Å |
| 266 | L | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -44 | 175.2 | -171.3 | 64 | 0 | 0 | 0 | 112.3 | K262 F263 E264 L269 F270 L291 L295 V348 F350 F378 | K262-L266 WeakPolarHBondContact O-CB 3.38Å; K262-L266 PolarHBondContact O-N 3.13Å; F263-L266 PolarHBondContact O-N 3.3Å; E264-L266 VanDerWaalsContact C-N 3.31Å; E264-L266 PolarHBondContact O-N 2.56Å; L266-L269 WeakPolarHBondContact O-CB 3.42Å; L266-L269 PolarHBondContact O-N 3Å; L266-F270 HydrophobicContact CD1-CE1 4.07Å; L266-F270 HydrophobicContact CD1-CE2 3.97Å; L266-F270 HydrophobicContact CD1-CZ 3.66Å; L266-F270 HydrophobicContact CD2-CE2 3.99Å; L266-F270 HydrophobicContact CD2-CZ 4.28Å; L266-F270 HydrophobicContact CG-CD2 4.19Å; L266-F270 HydrophobicContact CG-CE2 3.65Å; L266-F270 HydrophobicContact CG-CZ 3.9Å; L266-F270 WeakPolarHBondContact O-CG 3.36Å; L266-F270 PolarHBondContact O-N 3.3Å; L266-L291 HydrophobicContact CD2-CD1 3.91Å; L266-L291 HydrophobicContact CD2-CD2 4.3Å; L266-L291 HydrophobicContact CD2-CG 4.49Å; L266-L295 HydrophobicContact CD2-CD1 4.08Å; L266-L295 HydrophobicContact CD2-CD2 4.12Å; L266-L295 HydrophobicContact CD2-CG 4.45Å; L266-V348 HydrophobicContact CD1-CB 4.41Å; L266-V348 HydrophobicContact CD1-CG1 3.93Å; L266-V348 HydrophobicContact CD1-CG2 4.27Å; L266-F350 HydrophobicContact CB-CE2 4.34Å; L266-F350 HydrophobicContact CD2-CD2 4.06Å; L266-F350 HydrophobicContact CD2-CE2 4.11Å; L266-F378 HydrophobicContact CB-CE2 3.96Å; L266-F378 HydrophobicContact CB-CZ 4.24Å; L266-F378 HydrophobicContact CD1-CE2 4.32Å; L266-F378 HydrophobicContact CD1-CZ 4.27Å |
| 267 | N | 92.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 49.1 Ų | 49.1 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 177.8 | -72.8 | -54.7 | 0 | 0 | 0 | 112.2 | F263 E264 L269 F270 S271 | F263-N267 WeakPolarHBondContact CE1-ND2 3.47Å; F263-N267 WeakPolarHBondContact CZ-ND2 3.39Å; F263-N267 PolarHBondContact O-N 3.48Å; F263-N267 PolarHBondContact O-ND2 2.96Å; E264-N267 PolarHBondContact O-N 3.47Å; N267-L269 VanDerWaalsContact C-N 3.3Å; N267-F270 PolarHBondContact O-N 3.12Å; N267-S271 WeakPolarHBondContact O-CB 3.21Å; N267-S271 PolarHBondContact O-N 3.16Å; N267-S271 PolarHBondContact O-OG 3.49Å |
| 268 | D | 90.7 | Very high | 90.3 | Very high | 68 Ų | 68 | 47.2 Ų | 47.2 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 173.8 | -75.7 | -17.7 | 0 | 0 | 0 | 110 | E264 A265 S271 S272 R453 | E264-D268 PolarHBondContact O-N 3.33Å; A265-D268 PolarHBondContact O-N 2.92Å; D268-S271 PolarHBondContact O-N 3.47Å; D268-S272 PolarHBondContact O-N 3.18Å; D268-S272 VanDerWaalsContact O-N 3.14Å; D268-S272 PolarHBondContact O-OG 3.05Å; D268-R453 IonicContact OD2-CZ 2.8Å; D268-R453 IonicContact OD2-NH1 2.95Å; D268-R453 PolarHBondContact OD2-NH1 3.14Å; D268-R453 IonicContact OD2-NH2 3.28Å; D268-R453 PolarHBondContact OD2-NH2 3.46Å |
| 269 | L | 91.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 45.6 Ų | 45.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.2 | -51.2 | 175.1 | -178.6 | 64.2 | 0 | 0 | 0 | 111.7 | A265 L266 N267 S271 S272 V273 L346 V348 V376 F378 L406 | A265-L269 WeakPolarHBondContact O-CB 3.32Å; A265-L269 PolarHBondContact O-N 3.17Å; L266-L269 WeakPolarHBondContact O-CB 3.42Å; L266-L269 PolarHBondContact O-N 3Å; N267-L269 VanDerWaalsContact C-N 3.3Å; L269-S271 PolarHBondContact O-N 2.9Å; L269-S272 PolarHBondContact O-N 3.3Å; L269-S272 PolarHBondContact O-OG 3.32Å; L269-V273 HydrophobicContact CD1-CG2 3.73Å; L269-V273 PolarHBondContact O-N 3.26Å; L269-L346 HydrophobicContact CD2-CD2 4.18Å; L269-L346 HydrophobicContact CG-CD2 4.4Å; L269-V348 HydrophobicContact CD2-CG1 4.35Å; L269-V348 HydrophobicContact CD2-CG2 3.71Å; L269-V376 HydrophobicContact CD1-CG2 4.26Å; L269-V376 HydrophobicContact CD2-CB 4.13Å; L269-V376 HydrophobicContact CD2-CG1 4.13Å; L269-V376 HydrophobicContact CD2-CG2 4.29Å; L269-F378 HydrophobicContact CD2-CE1 4.31Å; L269-F378 HydrophobicContact CD2-CZ 4.28Å; L269-L406 HydrophobicContact CD1-CD2 3.48Å; L269-L406 VanDerWaalsContact CD1-CD2 3.48Å |
| 270 | F | 91 | Very high | 90.3 | Very high | 30 Ų | 30 | 42 Ų | 42 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -26.3 | 176.5 | -68.4 | -26.2 | 0 | 0 | 0 | 113.8 | L266 N267 S272 T278 V280 L295 F300 I328 L346 | L266-F270 HydrophobicContact CD1-CE1 4.07Å; L266-F270 HydrophobicContact CD1-CE2 3.97Å; L266-F270 HydrophobicContact CD1-CZ 3.66Å; L266-F270 HydrophobicContact CD2-CE2 3.99Å; L266-F270 HydrophobicContact CD2-CZ 4.28Å; L266-F270 HydrophobicContact CG-CD2 4.19Å; L266-F270 HydrophobicContact CG-CE2 3.65Å; L266-F270 HydrophobicContact CG-CZ 3.9Å; L266-F270 WeakPolarHBondContact O-CG 3.36Å; L266-F270 PolarHBondContact O-N 3.3Å; N267-F270 PolarHBondContact O-N 3.12Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-T278 HydrophobicContact CE1-CG2 3.98Å; F270-T278 HydrophobicContact CZ-CG2 4.45Å; F270-V280 HydrophobicContact CZ-CG2 4.15Å; F270-L295 HydrophobicContact CD2-CD2 4.32Å; F270-L295 HydrophobicContact CE2-CD1 4.05Å; F270-L295 HydrophobicContact CE2-CD2 3.91Å; F270-F300 HydrophobicContact CB-CE1 4.15Å; F270-F300 HydrophobicContact CB-CZ 4.05Å; F270-F300 HydrophobicContact CD2-CE1 4Å; F270-F300 HydrophobicContact CD2-CE2 4.26Å; F270-F300 AromaticContact CD2-CZ 3.85Å; F270-F300 HydrophobicContact CD2-CZ 3.85Å; F270-F300 HydrophobicContact CG-CE1 4.38Å; F270-F300 HydrophobicContact CG-CZ 4.39Å; F270-I328 HydrophobicContact CD2-CD1 4.1Å; F270-I328 HydrophobicContact CE1-CD1 4.39Å; F270-I328 HydrophobicContact CE2-CD1 3.47Å; F270-I328 VanDerWaalsContact CE2-CD1 3.47Å; F270-I328 HydrophobicContact CE2-CG1 4.47Å; F270-I328 HydrophobicContact CZ-CD1 3.64Å; F270-I328 HydrophobicContact CZ-CG1 4.17Å; F270-I328 HydrophobicContact CZ-CG2 4.45Å; F270-L346 HydrophobicContact CE1-CD2 4.41Å |
| 271 | S | 86.8 | Confident | 90.4 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -76.5 | -22.6 | 173.8 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | N267 D268 L269 | N267-S271 WeakPolarHBondContact O-CB 3.21Å; N267-S271 PolarHBondContact O-N 3.16Å; N267-S271 PolarHBondContact O-OG 3.49Å; D268-S271 PolarHBondContact O-N 3.47Å; L269-S271 PolarHBondContact O-N 2.9Å |
| 272 | S | 83.8 | Confident | 90.3 | Very high | 51 Ų | 51 | 29.2 Ų | 29.2 | 36% | 0.357 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -96.6 | -33 | -178.7 | 69.2 | 0 | 0 | 0 | 0 | 113.1 | D268 L269 F270 D407 | D268-S272 PolarHBondContact O-N 3.18Å; D268-S272 VanDerWaalsContact O-N 3.14Å; D268-S272 PolarHBondContact O-OG 3.05Å; L269-S272 PolarHBondContact O-N 3.3Å; L269-S272 PolarHBondContact O-OG 3.32Å; F270-S272 VanDerWaalsContact C-N 3.32Å; S272-D407 WeakPolarHBondContact O-CB 3.34Å |
| 273 | V | 82.7 | Confident | 90.1 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 6% | 0.055 | 19% | 0.189 | C | C | . | . | trans | -106.6 | 119.2 | -171.9 | 173.8 | 0 | 0 | 0 | 0 | 110.6 | L269 V275 L346 L374 L406 L410 | L269-V273 HydrophobicContact CD1-CG2 3.73Å; L269-V273 PolarHBondContact O-N 3.26Å; V273-V275 HydrophobicContact CG1-CB 4.48Å; V273-V275 HydrophobicContact CG1-CG1 3.69Å; V273-V275 HydrophobicContact CG1-CG2 4.17Å; V273-L346 HydrophobicContact CG1-CD2 4.17Å; V273-L374 HydrophobicContact CG1-CD2 4.26Å; V273-L374 HydrophobicContact CG2-CD2 4.16Å; V273-L406 HydrophobicContact CG2-CB 3.81Å; V273-L406 HydrophobicContact CG2-CD2 3.94Å; V273-L406 HydrophobicContact CG2-CG 4.4Å; V273-L410 HydrophobicContact CG1-CD1 3.5Å | ||
| 274 | C | 79.9 | Confident | 89.8 | Confident | 124 Ų | 124 | 33.7 Ų | 33.7 | 84% | 0.838 | 21% | 0.205 | S | C | * | . | trans | -96.4 | 102.4 | 173.4 | -168.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 275 | V | 81.9 | Confident | 89.5 | Confident | 38 Ų | 38 | 34.4 Ų | 34.4 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | trans | -129.7 | 152.5 | 176.2 | -73.1 | 0 | 0 | 0 | 0 | 110.7 | V273 T278 L346 L410 | V273-V275 HydrophobicContact CG1-CB 4.48Å; V273-V275 HydrophobicContact CG1-CG1 3.69Å; V273-V275 HydrophobicContact CG1-CG2 4.17Å; V275-T278 WeakPolarHBondContact CG2-OG1 3.44Å; V275-L346 HydrophobicContact CB-CB 4.41Å; V275-L346 HydrophobicContact CG1-CB 4.18Å; V275-L346 HydrophobicContact CG2-CB 3.76Å; V275-L346 HydrophobicContact CG2-CD2 4.37Å; V275-L410 HydrophobicContact CG1-CD1 3.39Å | ||
| 276 | S | 84.1 | Confident | 89.4 | Confident | 68 Ų | 68 | 44 Ų | 44 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -64.4 | -44.5 | -179.1 | -56 | 0 | 0 | 0 | 0 | 112.5 | R327 | S276-R327 WeakPolarHBondContact O-CD 3.4Å; S276-R327 PolarHBondContact O-NH1 2.9Å |
| 277 | Q | 90.2 | Very high | 89.3 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151 | 178.7 | -62.5 | -172.7 | -83.8 | 0 | 0 | 111.3 | F321 C326 R327 T343 V344 G345 | Q277-F321 HydrophobicContact CB-CE2 4.03Å; Q277-F321 HydrophobicContact CB-CZ 4.06Å; Q277-F321 HydrophobicContact CG-CE2 4.44Å; Q277-F321 PolarHBondContact NE2-O 3.34Å; Q277-C326 PolarHBondContact NE2-O 3.27Å; Q277-R327 CarbonylContact C-O 3.58Å; Q277-R327 VanDerWaalsContact CA-O 3.24Å; Q277-R327 WeakPolarHBondContact CA-O 3.49Å; Q277-T343 PolarHBondContact N-O 3.37Å; Q277-T343 VanDerWaalsContact OE1-CB 3.32Å; Q277-T343 PolarHBondContact OE1-OG1 2.87Å; Q277-V344 HydrophobicContact CB-CG2 4.5Å; Q277-G345 PolarHBondContact O-N 2.95Å; Q277-G345 VanDerWaalsContact O-N 3.09Å |
| 278 | T | 91.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 44.7 Ų | 44.7 | 4% | 0.037 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.4 | 179.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | F270 V275 V280 R327 I328 L329 L346 V348 | F270-T278 HydrophobicContact CE1-CG2 3.98Å; F270-T278 HydrophobicContact CZ-CG2 4.45Å; V275-T278 WeakPolarHBondContact CG2-OG1 3.44Å; T278-V280 HydrophobicContact CG2-CG2 3.94Å; T278-R327 PolarHBondContact N-O 2.98Å; T278-I328 WeakPolarHBondContact O-CA 3.5Å; T278-L329 PolarHBondContact O-N 2.83Å; T278-L346 VanDerWaalsContact CA-O 3.31Å; T278-L346 WeakPolarHBondContact CA-O 3.26Å; T278-L346 HydrophobicContact CG2-CB 4.01Å; T278-L346 HydrophobicContact CG2-CD2 3.87Å; T278-L346 HydrophobicContact CG2-CG 3.82Å; T278-L346 WeakPolarHBondContact CG2-O 3.44Å; T278-V348 HydrophobicContact CG2-CG2 3.93Å |
| 279 | V | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 128.5 | 165.9 | -178.4 | 0 | 0 | 0 | 0 | 109 | F281 F321 L329 V344 L346 V347 V348 | V279-F281 HydrophobicContact CB-CE2 4.43Å; V279-F281 HydrophobicContact CG1-CD2 4.1Å; V279-F281 HydrophobicContact CG1-CE2 3.61Å; V279-F281 HydrophobicContact CG1-CZ 3.88Å; V279-F321 HydrophobicContact CG2-CE1 4.07Å; V279-F321 HydrophobicContact CG2-CZ 3.88Å; V279-L329 CarbonylContact C-O 3.6Å; V279-L329 WeakPolarHBondContact CA-O 3.47Å; V279-V344 HydrophobicContact CG2-CG1 3.87Å; V279-V344 HydrophobicContact CG2-CG2 3.92Å; V279-L346 PolarHBondContact N-O 3.45Å; V279-V347 CarbonylContact O-C 3.57Å; V279-V347 WeakPolarHBondContact O-CA 3.43Å; V279-V348 PolarHBondContact O-N 2.87Å |
| 280 | V | 94.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.8 | 178.7 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | F270 T278 L291 I328 L329 I330 S331 V348 F350 | F270-V280 HydrophobicContact CZ-CG2 4.15Å; T278-V280 HydrophobicContact CG2-CG2 3.94Å; V280-L291 HydrophobicContact CG1-CD2 3.81Å; V280-I328 HydrophobicContact CG2-CG2 3.95Å; V280-L329 PolarHBondContact N-O 2.82Å; V280-I330 HydrophobicContact CB-CG1 4.24Å; V280-I330 CarbonylContact O-C 3.55Å; V280-I330 WeakPolarHBondContact O-CA 3.42Å; V280-S331 PolarHBondContact O-N 3.18Å; V280-V348 CarbonylContact C-O 3.55Å; V280-V348 WeakPolarHBondContact CA-O 3.32Å; V280-V348 HydrophobicContact CG1-CB 4.31Å; V280-V348 HydrophobicContact CG2-CB 4.24Å; V280-F350 HydrophobicContact CG1-CB 3.82Å; V280-F350 HydrophobicContact CG1-CD2 4.45Å |
| 281 | F | 94.7 | Very high | 90 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130.3 | -177.4 | -76.7 | -78.5 | 0 | 0 | 0 | 112.8 | V279 S331 A336 V347 V348 F350 D351 R362 R365 | V279-F281 HydrophobicContact CB-CE2 4.43Å; V279-F281 HydrophobicContact CG1-CD2 4.1Å; V279-F281 HydrophobicContact CG1-CE2 3.61Å; V279-F281 HydrophobicContact CG1-CZ 3.88Å; F281-S331 WeakPolarHBondContact CA-O 3.13Å; F281-A336 HydrophobicContact CD1-CB 4.29Å; F281-A336 HydrophobicContact CE1-CB 3.05Å; F281-A336 HydrophobicContact CZ-CB 3.26Å; F281-V347 HydrophobicContact CD2-CG1 3.71Å; F281-V347 HydrophobicContact CE2-CG1 3.71Å; F281-V348 PolarHBondContact N-O 2.96Å; F281-F350 WeakPolarHBondContact O-CA 3.39Å; F281-F350 VanDerWaalsContact O-CB 3.23Å; F281-F350 WeakPolarHBondContact O-CB 3.45Å; F281-F350 PolarHBondContact O-N 3.25Å; F281-D351 PolarHBondContact O-N 3.2Å; F281-R362 HydrophobicContact CD1-CG 3.81Å; F281-R362 HydrophobicContact CD2-CB 3.8Å; F281-R362 HydrophobicContact CD2-CG 3.92Å; F281-R362 HydrophobicContact CE1-CB 4.32Å; F281-R362 HydrophobicContact CE1-CG 3.71Å; F281-R362 HydrophobicContact CE2-CB 3.59Å; F281-R362 HydrophobicContact CE2-CG 3.88Å; F281-R362 WeakPolarHBondContact CE2-O 3.5Å; F281-R362 HydrophobicContact CG-CB 4.28Å; F281-R362 HydrophobicContact CG-CG 3.87Å; F281-R362 HydrophobicContact CZ-CB 3.86Å; F281-R362 HydrophobicContact CZ-CG 3.77Å; F281-R365 HydrophobicContact CE2-CG 4.39Å; F281-R365 HydrophobicContact CZ-CG 4.13Å |
| 282 | V | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | trans | -135.2 | 149.7 | 174.3 | -68.7 | 0 | 0 | 0 | 0 | 109.7 | K287 V288 L291 I330 S331 S332 F350 | V282-K287 HydrophobicContact CB-CB 4.35Å; V282-K287 HydrophobicContact CB-CD 4.38Å; V282-K287 HydrophobicContact CB-CG 4.29Å; V282-K287 HydrophobicContact CG1-CD 4.35Å; V282-K287 HydrophobicContact CG1-CG 4.16Å; V282-V288 HydrophobicContact CG2-CB 4.07Å; V282-V288 HydrophobicContact CG2-CG2 3.23Å; V282-L291 HydrophobicContact CG1-CD2 3.93Å; V282-I330 HydrophobicContact CG2-CG2 3.92Å; V282-S331 PolarHBondContact N-O 2.98Å; V282-S331 VanDerWaalsContact N-O 3.09Å; V282-S332 WeakPolarHBondContact O-CA 3.48Å; V282-F350 HydrophobicContact CG1-CB 3.78Å; V282-F350 HydrophobicContact CG1-CD1 3.94Å; V282-F350 HydrophobicContact CG1-CG 4.02Å | ||
| 283 | N | 91 | Very high | 90.9 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -81.7 | -23.8 | -170.5 | -66.2 | -2.5 | 0 | 0 | 0 | 113.2 | D351 L352 M354 R362 | N283-D351 HydrophobicContact CB-CB 4.32Å; N283-D351 PolarHBondContact N-OD2 3.17Å; N283-D351 VanDerWaalsContact N-OD2 3.09Å; N283-D351 WeakPolarHBondContact OD1-CB 3.44Å; N283-L352 PolarHBondContact ND2-O 3.47Å; N283-L352 PolarHBondContact OD1-O 3.05Å; N283-M354 PolarHBondContact ND2-SD 3.45Å; N283-M354 VanDerWaalsContact ND2-SD 3.4Å; N283-R362 PolarHBondContact OD1-NH2 2.62Å |
| 284 | T | 89.9 | Confident | 91.5 | Very high | 73 Ų | 73 | 49 Ų | 49 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | trans | -122.4 | 146.1 | -173.4 | 72.7 | 0 | 0 | 0 | 0 | 113 | R286 K287 V288 | T284-R286 PolarHBondContact O-N 3.03Å; T284-K287 WeakPolarHBondContact O-CB 3.47Å; T284-K287 PolarHBondContact O-N 2.95Å; T284-K287 VanDerWaalsContact O-N 3.09Å; T284-K287 VanDerWaalsContact OG1-CB 3.23Å; T284-K287 WeakPolarHBondContact OG1-CB 3.45Å; T284-K287 PolarHBondContact OG1-N 3.39Å; T284-V288 PolarHBondContact O-N 3.26Å | ||
| 285 | R | 87.6 | Confident | 92.2 | Very high | 102 Ų | 102 | 43 Ų | 43 | 39% | 0.385 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.8 | -43.2 | 179.1 | -52.2 | -174 | -173.9 | 166.3 | -2.4 | 112.3 | K287 V288 E289 H306 D308 | R285-K287 PolarHBondContact O-N 2.8Å; R285-V288 VanDerWaalsContact O-CB 3.3Å; R285-V288 WeakPolarHBondContact O-CB 3.29Å; R285-V288 PolarHBondContact O-N 2.95Å; R285-E289 PolarHBondContact O-N 3.48Å; R285-E289 VanDerWaalsContact O-N 3.12Å; R285-H306 HydrophobicContact CB-CB 4.25Å; R285-H306 HydrophobicContact CG-CB 4.08Å; R285-D308 WeakPolarHBondContact CD-OD2 3.47Å; R285-D308 IonicContact CZ-OD1 2.66Å; R285-D308 IonicContact CZ-OD2 2.9Å; R285-D308 IonicContact NE-OD2 2.9Å; R285-D308 IonicContact NH1-OD1 2.85Å; R285-D308 PolarHBondContact NH1-OD1 3.23Å; R285-D308 IonicContact NH1-OD2 3.34Å; R285-D308 PolarHBondContact NH1-OD2 3.04Å |
| 286 | R | 91.6 | Very high | 92.8 | Very high | 216 Ų | 216 | 47.1 Ų | 47.1 | 82% | 0.815 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -55.7 | -37.2 | 175.1 | -176.3 | 177.4 | 176.1 | 178 | -0.8 | 111.9 | T284 W290 | T284-R286 PolarHBondContact O-N 3.03Å; R286-W290 WeakPolarHBondContact O-CB 3.39Å; R286-W290 PolarHBondContact O-N 3.17Å |
| 287 | K | 93.8 | Very high | 93.3 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 14% | 0.139 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -77.2 | -31.8 | 178.9 | -161 | 169.3 | -174 | 179 | 0 | 112.6 | E259 V282 T284 R285 W290 L291 F350 D351 | E259-K287 VanDerWaalsContact OE1-CE 3.26Å; E259-K287 WeakPolarHBondContact OE1-CE 3.48Å; E259-K287 IonicContact OE1-NZ 3.24Å; E259-K287 PolarHBondContact OE1-NZ 3.16Å; E259-K287 IonicContact OE2-NZ 3.51Å; V282-K287 HydrophobicContact CB-CB 4.35Å; V282-K287 HydrophobicContact CB-CD 4.38Å; V282-K287 HydrophobicContact CB-CG 4.29Å; V282-K287 HydrophobicContact CG1-CD 4.35Å; V282-K287 HydrophobicContact CG1-CG 4.16Å; T284-K287 WeakPolarHBondContact O-CB 3.47Å; T284-K287 PolarHBondContact O-N 2.95Å; T284-K287 VanDerWaalsContact O-N 3.09Å; T284-K287 VanDerWaalsContact OG1-CB 3.23Å; T284-K287 WeakPolarHBondContact OG1-CB 3.45Å; T284-K287 PolarHBondContact OG1-N 3.39Å; R285-K287 PolarHBondContact O-N 2.8Å; K287-W290 HydrophobicContact CG-CE3 4.07Å; K287-L291 WeakPolarHBondContact O-CB 3.37Å; K287-L291 PolarHBondContact O-N 2.95Å; K287-F350 VanDerWaalsContact CE-CE1 3.46Å; K287-D351 WeakPolarHBondContact CD-OD2 3.36Å; K287-D351 VanDerWaalsContact NZ-CG 3.27Å; K287-D351 IonicContact NZ-OD1 3.66Å; K287-D351 PolarHBondContact NZ-OD1 3.25Å; K287-D351 IonicContact NZ-OD2 3.69Å; K287-D351 PolarHBondContact NZ-OD2 3.09Å; K287-D351 VanDerWaalsContact NZ-OD2 3.16Å |
| 288 | V | 93 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.2 | -54.1 | 169 | 174.3 | 0 | 0 | 0 | 0 | 109.8 | V282 T284 R285 L291 A292 A304 H306 I330 | V282-V288 HydrophobicContact CG2-CB 4.07Å; V282-V288 HydrophobicContact CG2-CG2 3.23Å; T284-V288 PolarHBondContact O-N 3.26Å; R285-V288 VanDerWaalsContact O-CB 3.3Å; R285-V288 WeakPolarHBondContact O-CB 3.29Å; R285-V288 PolarHBondContact O-N 2.95Å; V288-L291 PolarHBondContact O-N 2.97Å; V288-A292 VanDerWaalsContact O-CB 3.27Å; V288-A292 WeakPolarHBondContact O-CB 3.42Å; V288-A292 PolarHBondContact O-N 2.85Å; V288-A304 HydrophobicContact CG1-CB 3.81Å; V288-H306 HydrophobicContact CG2-CB 4.44Å; V288-I330 HydrophobicContact CB-CG2 4.28Å; V288-I330 HydrophobicContact CG1-CB 4.39Å; V288-I330 HydrophobicContact CG1-CG2 3.98Å; V288-I330 HydrophobicContact CG2-CG2 4.34Å |
| 289 | E | 93.3 | Very high | 93.4 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 50% | 0.5 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.1 | -44.7 | -178.4 | -67.7 | 179.5 | 172.8 | 0 | 0 | 112.3 | R285 A292 S293 H306 | R285-E289 PolarHBondContact O-N 3.48Å; R285-E289 VanDerWaalsContact O-N 3.12Å; E289-A292 PolarHBondContact O-N 2.87Å; E289-S293 WeakPolarHBondContact O-CB 3.19Å; E289-S293 PolarHBondContact O-N 2.73Å; E289-H306 IonicContact OE1-CE1 3.27Å; E289-H306 PolarHBondContact OE1-CE1 3.35Å; E289-H306 IonicContact OE1-NE2 3.67Å |
| 290 | W | 95.9 | Very high | 93.3 | Very high | 105 Ų | 105 | 61.4 Ų | 61.4 | 40% | 0.398 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.3 | -53.2 | 176.3 | 169.3 | 81.5 | 0 | 0 | 0 | 111.1 | F263 R286 K287 A292 S293 Q294 F350 | F263-W290 HydrophobicContact CB-CH2 4.12Å; R286-W290 WeakPolarHBondContact O-CB 3.39Å; R286-W290 PolarHBondContact O-N 3.17Å; K287-W290 HydrophobicContact CG-CE3 4.07Å; W290-A292 VanDerWaalsContact C-N 3.33Å; W290-A292 PolarHBondContact O-N 3.06Å; W290-S293 WeakPolarHBondContact O-CB 3.35Å; W290-S293 PolarHBondContact O-N 3Å; W290-Q294 HydrophobicContact CD2-CG 4.06Å; W290-Q294 HydrophobicContact CG-CG 4.43Å; W290-Q294 HydrophobicContact CZ2-CG 3.9Å; W290-Q294 WeakPolarHBondContact O-CG 3.42Å; W290-Q294 PolarHBondContact O-N 2.89Å; W290-F350 HydrophobicContact CH2-CZ 4.35Å; W290-F350 HydrophobicContact CZ3-CE1 4.26Å; W290-F350 AromaticContact CZ3-CZ 3.97Å; W290-F350 HydrophobicContact CZ3-CZ 3.97Å |
| 291 | L | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -39.1 | -176.7 | -175.2 | 60.8 | 0 | 0 | 0 | 111.5 | F263 L266 V280 V282 K287 V288 S293 Q294 L295 I330 F350 | F263-L291 HydrophobicContact CD2-CD1 3.73Å; F263-L291 HydrophobicContact CE2-CD1 4.17Å; L266-L291 HydrophobicContact CD2-CD1 3.91Å; L266-L291 HydrophobicContact CD2-CD2 4.3Å; L266-L291 HydrophobicContact CD2-CG 4.49Å; V280-L291 HydrophobicContact CG1-CD2 3.81Å; V282-L291 HydrophobicContact CG1-CD2 3.93Å; K287-L291 WeakPolarHBondContact O-CB 3.37Å; K287-L291 PolarHBondContact O-N 2.95Å; V288-L291 PolarHBondContact O-N 2.97Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 3.14Å; L291-Q294 PolarHBondContact O-N 2.98Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.42Å; L291-L295 PolarHBondContact O-N 2.71Å; L291-I330 HydrophobicContact CB-CD1 3.98Å; L291-I330 HydrophobicContact CD2-CD1 4.11Å; L291-I330 HydrophobicContact CD2-CG1 4.39Å; L291-I330 HydrophobicContact CD2-CG2 4.19Å; L291-I330 HydrophobicContact CG-CD1 3.75Å; L291-F350 HydrophobicContact CD1-CD2 4.39Å; L291-F350 HydrophobicContact CD1-CE2 3.86Å; L291-F350 HydrophobicContact CD1-CZ 4.24Å; L291-F350 HydrophobicContact CD2-CD2 3.86Å; L291-F350 HydrophobicContact CD2-CE2 4.14Å; L291-F350 HydrophobicContact CD2-CG 4.14Å |
| 292 | A | 94.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V288 E289 W290 K296 V302 A304 I330 | V288-A292 VanDerWaalsContact O-CB 3.27Å; V288-A292 WeakPolarHBondContact O-CB 3.42Å; V288-A292 PolarHBondContact O-N 2.85Å; E289-A292 PolarHBondContact O-N 2.87Å; W290-A292 VanDerWaalsContact C-N 3.33Å; W290-A292 PolarHBondContact O-N 3.06Å; A292-K296 WeakPolarHBondContact O-CB 3.09Å; A292-K296 VanDerWaalsContact O-CG 3.25Å; A292-K296 WeakPolarHBondContact O-CG 3.44Å; A292-K296 PolarHBondContact O-N 3.33Å; A292-V302 HydrophobicContact CB-CG1 4.28Å; A292-A304 HydrophobicContact CB-CB 3.9Å; A292-I330 HydrophobicContact CB-CD1 3.79Å; A292-I330 VanDerWaalsContact N-CD1 3.27Å |
| 293 | S | 95.1 | Very high | 93 | Very high | 64 Ų | 64 | 65.3 Ų | 65.3 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 175.7 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | E289 W290 L291 K296 R297 | E289-S293 WeakPolarHBondContact O-CB 3.19Å; E289-S293 PolarHBondContact O-N 2.73Å; W290-S293 WeakPolarHBondContact O-CB 3.35Å; W290-S293 PolarHBondContact O-N 3Å; L291-S293 VanDerWaalsContact C-N 3.34Å; L291-S293 PolarHBondContact O-N 3.14Å; S293-K296 PolarHBondContact O-N 3.49Å; S293-R297 WeakPolarHBondContact O-CG 3.19Å; S293-R297 PolarHBondContact O-N 2.7Å |
| 294 | Q | 95.6 | Very high | 93 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -49 | 177.8 | -62 | -55.6 | -79.5 | 0 | 0 | 111.8 | F263 W290 L291 R297 E298 | F263-Q294 HydrophobicContact CD2-CB 3.97Å; F263-Q294 HydrophobicContact CD2-CG 4.48Å; F263-Q294 HydrophobicContact CE1-CB 4.26Å; F263-Q294 HydrophobicContact CE2-CB 3.35Å; F263-Q294 HydrophobicContact CE2-CG 4.29Å; F263-Q294 HydrophobicContact CZ-CB 3.52Å; F263-Q294 HydrophobicContact CZ-CG 4.48Å; W290-Q294 HydrophobicContact CD2-CG 4.06Å; W290-Q294 HydrophobicContact CG-CG 4.43Å; W290-Q294 HydrophobicContact CZ2-CG 3.9Å; W290-Q294 WeakPolarHBondContact O-CG 3.42Å; W290-Q294 PolarHBondContact O-N 2.89Å; L291-Q294 PolarHBondContact O-N 2.98Å; Q294-R297 PolarHBondContact O-N 3.15Å; Q294-E298 PolarHBondContact O-N 3.19Å |
| 295 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.2 | -36.9 | -178.9 | -73.2 | -180 | 0 | 0 | 0 | 113 | F263 L266 F270 L291 R297 E298 G299 F300 V302 I328 I330 | F263-L295 HydrophobicContact CE2-CD2 3.81Å; F263-L295 HydrophobicContact CE2-CG 4.14Å; F263-L295 HydrophobicContact CZ-CD2 4.45Å; L266-L295 HydrophobicContact CD2-CD1 4.08Å; L266-L295 HydrophobicContact CD2-CD2 4.12Å; L266-L295 HydrophobicContact CD2-CG 4.45Å; F270-L295 HydrophobicContact CD2-CD2 4.32Å; F270-L295 HydrophobicContact CE2-CD1 4.05Å; F270-L295 HydrophobicContact CE2-CD2 3.91Å; L291-L295 HydrophobicContact CD1-CG 4.41Å; L291-L295 HydrophobicContact CG-CD1 4.42Å; L291-L295 PolarHBondContact O-N 2.71Å; L295-R297 VanDerWaalsContact C-N 3.28Å; L295-R297 PolarHBondContact O-N 2.89Å; L295-E298 PolarHBondContact O-N 3.29Å; L295-E298 VanDerWaalsContact O-N 3.14Å; L295-G299 PolarHBondContact O-N 3.43Å; L295-F300 HydrophobicContact CB-CB 4.34Å; L295-F300 HydrophobicContact CB-CD2 4.28Å; L295-F300 HydrophobicContact CD2-CD2 3.82Å; L295-F300 HydrophobicContact CD2-CE2 4.09Å; L295-F300 WeakPolarHBondContact O-CD2 3.47Å; L295-F300 PolarHBondContact O-N 2.87Å; L295-F300 VanDerWaalsContact O-N 3.14Å; L295-V302 HydrophobicContact CB-CG2 3.66Å; L295-V302 HydrophobicContact CD1-CG2 4.15Å; L295-I328 HydrophobicContact CD1-CD1 4.32Å; L295-I328 HydrophobicContact CD1-CG2 4.26Å; L295-I330 HydrophobicContact CD1-CD1 4.06Å |
| 296 | K | 94.2 | Very high | 92.5 | Very high | 123 Ų | 123 | 56.3 Ų | 56.3 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 173.9 | -77.7 | 176.8 | -179.6 | -177.4 | 0 | 111.9 | A292 S293 E298 G299 V302 | A292-K296 WeakPolarHBondContact O-CB 3.09Å; A292-K296 VanDerWaalsContact O-CG 3.25Å; A292-K296 WeakPolarHBondContact O-CG 3.44Å; A292-K296 PolarHBondContact O-N 3.33Å; S293-K296 PolarHBondContact O-N 3.49Å; K296-E298 VanDerWaalsContact C-N 3.31Å; K296-E298 PolarHBondContact O-N 2.85Å; K296-G299 PolarHBondContact O-N 3.03Å; K296-V302 WeakPolarHBondContact CE-O 3.49Å; K296-V302 HydrophobicContact CG-CB 4.28Å |
| 297 | R | 94.5 | Very high | 91.7 | Very high | 159 Ų | 159 | 46.9 Ų | 46.9 | 60% | 0.6 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -67.7 | -28.7 | 175.8 | -66.9 | 176.9 | -44.2 | 159.8 | 27 | 113.3 | S293 Q294 L295 G299 | S293-R297 WeakPolarHBondContact O-CG 3.19Å; S293-R297 PolarHBondContact O-N 2.7Å; Q294-R297 PolarHBondContact O-N 3.15Å; L295-R297 VanDerWaalsContact C-N 3.28Å; L295-R297 PolarHBondContact O-N 2.89Å; R297-G299 PolarHBondContact O-N 3.32Å |
| 298 | E | 92.1 | Very high | 91 | Very high | 88 Ų | 88 | 50.3 Ų | 50.3 | 41% | 0.411 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -1.6 | 171.9 | -64.4 | -68.9 | 147.2 | 0 | 0 | 112.5 | F263 Q294 L295 K296 F300 | F263-E298 HydrophobicContact CE1-CG 4.42Å; F263-E298 HydrophobicContact CZ-CG 3.93Å; Q294-E298 PolarHBondContact O-N 3.19Å; L295-E298 PolarHBondContact O-N 3.29Å; L295-E298 VanDerWaalsContact O-N 3.14Å; K296-E298 VanDerWaalsContact C-N 3.31Å; K296-E298 PolarHBondContact O-N 2.85Å; E298-F300 HydrophobicContact CB-CD2 3.89Å; E298-F300 HydrophobicContact CB-CE2 3.9Å |
| 299 | G | 91 | Very high | 90.3 | Very high | 64 Ų | 64 | 51.8 Ų | 51.8 | 66% | 0.66 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.5 | 10.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L295 K296 R297 | L295-G299 PolarHBondContact O-N 3.43Å; K296-G299 PolarHBondContact O-N 3.03Å; R297-G299 PolarHBondContact O-N 3.32Å |
| 300 | F | 91.8 | Very high | 89.8 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 30% | 0.298 | 27% | 0.267 | S | S | . | . | trans | -79 | 146.6 | 177.5 | -66.4 | -79 | 0 | 0 | 0 | 112.7 | F270 L295 E298 V302 I328 | F270-F300 HydrophobicContact CB-CE1 4.15Å; F270-F300 HydrophobicContact CB-CZ 4.05Å; F270-F300 HydrophobicContact CD2-CE1 4Å; F270-F300 HydrophobicContact CD2-CE2 4.26Å; F270-F300 AromaticContact CD2-CZ 3.85Å; F270-F300 HydrophobicContact CD2-CZ 3.85Å; F270-F300 HydrophobicContact CG-CE1 4.38Å; F270-F300 HydrophobicContact CG-CZ 4.39Å; L295-F300 HydrophobicContact CB-CB 4.34Å; L295-F300 HydrophobicContact CB-CD2 4.28Å; L295-F300 HydrophobicContact CD2-CD2 3.82Å; L295-F300 HydrophobicContact CD2-CE2 4.09Å; L295-F300 WeakPolarHBondContact O-CD2 3.47Å; L295-F300 PolarHBondContact O-N 2.87Å; L295-F300 VanDerWaalsContact O-N 3.14Å; E298-F300 HydrophobicContact CB-CD2 3.89Å; E298-F300 HydrophobicContact CB-CE2 3.9Å; F300-V302 HydrophobicContact CB-CG2 3.77Å; F300-V302 PolarHBondContact O-N 2.84Å; F300-I328 HydrophobicContact CB-CD1 3.98Å; F300-I328 HydrophobicContact CD1-CD1 3.85Å; F300-I328 HydrophobicContact CG-CD1 4.01Å | ||
| 301 | T | 91.2 | Very high | 88.6 | Confident | 71 Ų | 71 | 46.5 Ų | 46.5 | 44% | 0.436 | 25% | 0.254 | S | S | . | . | trans | -84.3 | 106.3 | 169.3 | 61.4 | 0 | 0 | 0 | 0 | 110.4 | E325 R327 I328 | T301-E325 PolarHBondContact OG1-O 3.05Å; T301-R327 PolarHBondContact O-N 2.82Å; T301-R327 PolarHBondContact OG1-N 3.47Å; T301-I328 PolarHBondContact O-N 2.79Å | ||
| 302 | V | 93 | Very high | 88 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 5% | 0.048 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 129.3 | -170.4 | -173.2 | 0 | 0 | 0 | 0 | 111.3 | A292 L295 K296 F300 I328 I330 | A292-V302 HydrophobicContact CB-CG1 4.28Å; L295-V302 HydrophobicContact CB-CG2 3.66Å; L295-V302 HydrophobicContact CD1-CG2 4.15Å; K296-V302 WeakPolarHBondContact CE-O 3.49Å; K296-V302 HydrophobicContact CG-CB 4.28Å; F300-V302 HydrophobicContact CB-CG2 3.77Å; F300-V302 PolarHBondContact O-N 2.84Å; V302-I328 WeakPolarHBondContact CA-O 3.09Å; V302-I328 HydrophobicContact CG1-CB 4.45Å; V302-I328 HydrophobicContact CG1-CG2 4.24Å; V302-I328 HydrophobicContact CG2-CB 4.18Å; V302-I328 HydrophobicContact CG2-CD1 4.34Å; V302-I328 HydrophobicContact CG2-CG2 4.5Å; V302-I330 HydrophobicContact CG1-CD1 3.51Å; V302-I330 HydrophobicContact CG1-CG1 3.83Å |
| 303 | A | 91.9 | Very high | 87.6 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 145.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | V317 C326 I328 L329 I330 | A303-V317 HydrophobicContact CB-CG1 3.86Å; A303-C326 HydrophobicContact CB-CB 3.87Å; A303-I328 PolarHBondContact N-O 2.79Å; A303-L329 HydrophobicContact CB-CD1 4.06Å; A303-L329 WeakPolarHBondContact O-CA 3.47Å; A303-I330 PolarHBondContact O-N 2.87Å |
| 304 | A | 91.3 | Very high | 86.8 | Confident | 22 Ų | 22 | 53 Ų | 53 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 135 | -179.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | V288 A292 L309 I330 | V288-A304 HydrophobicContact CG1-CB 3.81Å; A292-A304 HydrophobicContact CB-CB 3.9Å; A304-L309 WeakPolarHBondContact O-CD1 3.33Å; A304-I330 CarbonylContact C-O 3.51Å; A304-I330 WeakPolarHBondContact CA-O 3.46Å |
| 305 | A | 84.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 117.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V317 L329 I330 S331 W335 | A305-V317 HydrophobicContact CB-CG1 4.15Å; A305-L329 HydrophobicContact CB-CD1 3.96Å; A305-I330 PolarHBondContact N-O 3.35Å; A305-S331 WeakPolarHBondContact O-CA 3.26Å; A305-S331 PolarHBondContact O-OG 3.44Å; A305-S331 VanDerWaalsContact O-OG 3.13Å; A305-W335 HydrophobicContact CB-CD2 3.48Å; A305-W335 VanDerWaalsContact CB-CD2 3.48Å; A305-W335 HydrophobicContact CB-CE3 3.21Å; A305-W335 HydrophobicContact CB-CG 4.16Å; A305-W335 HydrophobicContact CB-CH2 3.6Å; A305-W335 HydrophobicContact CB-CZ2 3.92Å; A305-W335 HydrophobicContact CB-CZ3 3.24Å |
| 306 | H | 81.9 | Confident | 85.7 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | trans | -145.1 | 172.7 | -179.7 | 56.1 | 99.2 | 0 | 0 | 0 | 111.2 | R285 V288 E289 D308 L309 | R285-H306 HydrophobicContact CB-CB 4.25Å; R285-H306 HydrophobicContact CG-CB 4.08Å; V288-H306 HydrophobicContact CG2-CB 4.44Å; E289-H306 IonicContact OE1-CE1 3.27Å; E289-H306 PolarHBondContact OE1-CE1 3.35Å; E289-H306 IonicContact OE1-NE2 3.67Å; H306-D308 VanDerWaalsContact C-N 3.25Å; H306-D308 IonicContact ND1-OD2 2.82Å; H306-D308 PolarHBondContact O-N 2.94Å; H306-D308 VanDerWaalsContact O-N 3.17Å; H306-L309 PolarHBondContact O-N 2.69Å | ||
| 307 | G | 74.7 | Confident | 85.4 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R314 | G307-R314 PolarHBondContact O-NH2 2.93Š|
| 308 | D | 79 | Confident | 84.9 | Confident | 105 Ų | 105 | 45.8 Ų | 45.8 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -12.5 | -174.9 | -62.1 | -47.7 | 0 | 0 | 0 | 114.3 | R285 H306 D310 | R285-D308 WeakPolarHBondContact CD-OD2 3.47Å; R285-D308 IonicContact CZ-OD1 2.66Å; R285-D308 IonicContact CZ-OD2 2.9Å; R285-D308 IonicContact NE-OD2 2.9Å; R285-D308 IonicContact NH1-OD1 2.85Å; R285-D308 PolarHBondContact NH1-OD1 3.23Å; R285-D308 IonicContact NH1-OD2 3.34Å; R285-D308 PolarHBondContact NH1-OD2 3.04Å; H306-D308 VanDerWaalsContact C-N 3.25Å; H306-D308 IonicContact ND1-OD2 2.82Å; H306-D308 PolarHBondContact O-N 2.94Å; H306-D308 VanDerWaalsContact O-N 3.17Å; D308-D310 PolarHBondContact O-N 3.12Å |
| 309 | L | 78.8 | Confident | 84.6 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 16% | 0.162 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -64.3 | 132.2 | 175.4 | -65.6 | 179.9 | 0 | 0 | 0 | 110.1 | A304 H306 Q313 R314 V317 | A304-L309 WeakPolarHBondContact O-CD1 3.33Å; H306-L309 PolarHBondContact O-N 2.69Å; L309-Q313 HydrophobicContact CB-CB 4.22Å; L309-Q313 HydrophobicContact CD2-CB 4.31Å; L309-R314 HydrophobicContact CB-CG 3.75Å; L309-R314 PolarHBondContact O-NE 3.06Å; L309-V317 HydrophobicContact CD1-CG2 4.38Å |
| 310 | D | 82 | Confident | 84.5 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | trans | -64.6 | 163.3 | 170.2 | 76.8 | 42.3 | 0 | 0 | 0 | 110.4 | D308 S312 Q313 R314 | D308-D310 PolarHBondContact O-N 3.12Å; D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.05Å; D310-S312 WeakPolarHBondContact OD1-CA 3.2Å; D310-S312 WeakPolarHBondContact OD1-CB 3.15Å; D310-S312 PolarHBondContact OD1-N 2.93Å; D310-S312 PolarHBondContact OD1-OG 3.22Å; D310-Q313 VanDerWaalsContact CG-CD 3.48Å; D310-Q313 WeakPolarHBondContact O-CB 3.41Å; D310-Q313 PolarHBondContact O-N 3.09Å; D310-Q313 WeakPolarHBondContact OD1-CB 3.26Å; D310-Q313 VanDerWaalsContact OD1-CG 3.29Å; D310-Q313 WeakPolarHBondContact OD1-CG 3.44Å; D310-Q313 PolarHBondContact OD1-N 3.48Å; D310-Q313 VanDerWaalsContact OD2-CD 3.28Å; D310-Q313 PolarHBondContact OD2-NE2 2.85Å; D310-R314 VanDerWaalsContact O-CG 3.26Å; D310-R314 WeakPolarHBondContact O-CG 3.39Å; D310-R314 PolarHBondContact O-N 3.43Å | ||
| 311 | Q | 71.9 | Confident | 84.3 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.9 | -35.3 | -173.5 | -173.7 | 64.3 | 40 | 0 | 0 | 114.3 | R103 R314 E315 | R103-Q311 VanDerWaalsContact NE-NE2 3.14Å; R103-Q311 VanDerWaalsContact NH2-CG 3.27Å; Q311-R314 WeakPolarHBondContact O-CB 3.42Å; Q311-R314 PolarHBondContact O-N 3.06Å; Q311-E315 PolarHBondContact NE2-OE1 3.41Å; Q311-E315 WeakPolarHBondContact O-CG 3.3Å; Q311-E315 PolarHBondContact O-N 2.67Å |
| 312 | S | 83.3 | Confident | 84 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 47% | 0.469 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.7 | -41.7 | 177.1 | 25.7 | 0 | 0 | 0 | 0 | 111.5 | D310 R314 E315 S316 | D310-S312 VanDerWaalsContact C-N 3.32Å; D310-S312 PolarHBondContact O-N 3.05Å; D310-S312 WeakPolarHBondContact OD1-CA 3.2Å; D310-S312 WeakPolarHBondContact OD1-CB 3.15Å; D310-S312 PolarHBondContact OD1-N 2.93Å; D310-S312 PolarHBondContact OD1-OG 3.22Å; S312-R314 VanDerWaalsContact C-N 3.32Å; S312-E315 PolarHBondContact O-N 3.17Å; S312-S316 WeakPolarHBondContact O-CB 3.33Å; S312-S316 PolarHBondContact O-N 3.49Å |
| 313 | Q | 86 | Confident | 83.7 | Confident | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.421 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.6 | -68.7 | 169 | -15.6 | 0 | 0 | 110.3 | L309 D310 S316 V317 | L309-Q313 HydrophobicContact CB-CB 4.22Å; L309-Q313 HydrophobicContact CD2-CB 4.31Å; D310-Q313 VanDerWaalsContact CG-CD 3.48Å; D310-Q313 WeakPolarHBondContact O-CB 3.41Å; D310-Q313 PolarHBondContact O-N 3.09Å; D310-Q313 WeakPolarHBondContact OD1-CB 3.26Å; D310-Q313 VanDerWaalsContact OD1-CG 3.29Å; D310-Q313 WeakPolarHBondContact OD1-CG 3.44Å; D310-Q313 PolarHBondContact OD1-N 3.48Å; D310-Q313 VanDerWaalsContact OD2-CD 3.28Å; D310-Q313 PolarHBondContact OD2-NE2 2.85Å; Q313-S316 WeakPolarHBondContact O-CB 3.31Å; Q313-S316 PolarHBondContact O-N 2.92Å; Q313-V317 WeakPolarHBondContact O-CG2 3.15Å; Q313-V317 PolarHBondContact O-N 3.36Å |
| 314 | R | 79.2 | Confident | 83.4 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 18% | 0.181 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 176.3 | -72.7 | -176.7 | -178.2 | -154.8 | 6.2 | 112.9 | E104 G307 L309 D310 Q311 S312 S316 V317 M318 W335 | E104-R314 IonicContact OE1-NH1 3.91Å; E104-R314 PolarHBondContact OE1-NH1 3.29Å; G307-R314 PolarHBondContact O-NH2 2.93Å; L309-R314 HydrophobicContact CB-CG 3.75Å; L309-R314 PolarHBondContact O-NE 3.06Å; D310-R314 VanDerWaalsContact O-CG 3.26Å; D310-R314 WeakPolarHBondContact O-CG 3.39Å; D310-R314 PolarHBondContact O-N 3.43Å; Q311-R314 WeakPolarHBondContact O-CB 3.42Å; Q311-R314 PolarHBondContact O-N 3.06Å; S312-R314 VanDerWaalsContact C-N 3.32Å; R314-S316 VanDerWaalsContact C-N 3.31Å; R314-S316 PolarHBondContact O-N 3.36Å; R314-V317 PolarHBondContact O-N 2.91Å; R314-M318 PolarHBondContact O-N 3Å; R314-W335 HydrophobicContact CB-CZ2 3.53Å; R314-W335 VanDerWaalsContact CD-NE1 3.32Å; R314-W335 HydrophobicContact CG-CZ2 3.57Å |
| 315 | E | 80.4 | Confident | 83.3 | Confident | 82 Ų | 82 | 57 Ų | 57 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -39.8 | 177.2 | -75.6 | 168.7 | -170.3 | 0 | 0 | 111.6 | R103 R131 Q311 S312 M318 K319 | R103-E315 IonicContact CZ-OE1 3.89Å; R103-E315 IonicContact NE-OE1 2.88Å; R103-E315 IonicContact NH2-OE1 2.66Å; R103-E315 PolarHBondContact NH2-OE1 3.47Å; R131-E315 IonicContact NH2-OE2 2.58Å; Q311-E315 PolarHBondContact NE2-OE1 3.41Å; Q311-E315 WeakPolarHBondContact O-CG 3.3Å; Q311-E315 PolarHBondContact O-N 2.67Å; S312-E315 PolarHBondContact O-N 3.17Å; E315-M318 PolarHBondContact O-N 2.73Å; E315-K319 VanDerWaalsContact O-CB 3.31Å; E315-K319 WeakPolarHBondContact O-CB 3.48Å; E315-K319 PolarHBondContact O-N 3.22Å |
| 316 | S | 87.7 | Confident | 83.6 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 39% | 0.385 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 175.5 | -169.9 | 0 | 0 | 0 | 0 | 111.8 | S312 Q313 R314 M318 K319 Q320 | S312-S316 WeakPolarHBondContact O-CB 3.33Å; S312-S316 PolarHBondContact O-N 3.49Å; Q313-S316 WeakPolarHBondContact O-CB 3.31Å; Q313-S316 PolarHBondContact O-N 2.92Å; R314-S316 VanDerWaalsContact C-N 3.31Å; R314-S316 PolarHBondContact O-N 3.36Å; S316-M318 VanDerWaalsContact C-N 3.34Å; S316-M318 PolarHBondContact O-N 3.32Å; S316-K319 WeakPolarHBondContact O-CB 3.43Å; S316-K319 PolarHBondContact O-N 2.84Å; S316-K319 VanDerWaalsContact O-N 3.1Å; S316-Q320 WeakPolarHBondContact O-CG 3.24Å; S316-Q320 PolarHBondContact O-N 2.64Å |
| 317 | V | 87.7 | Confident | 84 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.7 | 165.9 | 0 | 0 | 0 | 0 | 111.2 | A303 A305 L309 Q313 R314 K319 Q320 F321 L329 W335 | A303-V317 HydrophobicContact CB-CG1 3.86Å; A305-V317 HydrophobicContact CB-CG1 4.15Å; L309-V317 HydrophobicContact CD1-CG2 4.38Å; Q313-V317 WeakPolarHBondContact O-CG2 3.15Å; Q313-V317 PolarHBondContact O-N 3.36Å; R314-V317 PolarHBondContact O-N 2.91Å; V317-K319 VanDerWaalsContact C-N 3.34Å; V317-K319 PolarHBondContact O-N 2.67Å; V317-Q320 PolarHBondContact O-N 3.49Å; V317-F321 WeakPolarHBondContact O-CB 3.03Å; V317-F321 PolarHBondContact O-N 3.05Å; V317-L329 HydrophobicContact CG1-CD1 3.88Å; V317-W335 HydrophobicContact CB-CH2 4.25Å; V317-W335 HydrophobicContact CG1-CH2 3.9Å; V317-W335 HydrophobicContact CG1-CZ3 4.33Å |
| 318 | M | 83 | Confident | 84.9 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65 | -37.6 | 176.4 | -76.5 | -51 | -67 | 0 | 0 | 112.8 | R314 E315 S316 F321 R322 W335 I339 V341 | R314-M318 PolarHBondContact O-N 3Å; E315-M318 PolarHBondContact O-N 2.73Å; S316-M318 VanDerWaalsContact C-N 3.34Å; S316-M318 PolarHBondContact O-N 3.32Å; M318-F321 PolarHBondContact O-N 3.46Å; M318-R322 WeakPolarHBondContact O-CB 3.29Å; M318-R322 VanDerWaalsContact O-CG 3.29Å; M318-R322 WeakPolarHBondContact O-CG 3.21Å; M318-R322 PolarHBondContact O-N 2.67Å; M318-W335 HydrophobicContact CG-CH2 3.44Å; M318-W335 VanDerWaalsContact CG-CH2 3.44Å; M318-W335 HydrophobicContact CG-CZ2 4.34Å; M318-W335 HydrophobicContact CG-CZ3 3.79Å; M318-W335 HydrophobicContact SD-CE3 4.3Å; M318-W335 HydrophobicContact SD-CH2 3.61Å; M318-W335 HydrophobicContact SD-CZ3 3.26Å; M318-W335 WeakPolarHBondContact SD-CZ3 3.33Å; M318-I339 HydrophobicContact CE-CB 4.41Å; M318-I339 HydrophobicContact CE-CG1 4.08Å; M318-I339 HydrophobicContact CE-CG2 4.21Å; M318-I339 HydrophobicContact SD-CG1 4.22Å; M318-V341 HydrophobicContact CE-CG2 4.42Å |
| 319 | K | 85.8 | Confident | 85.6 | Confident | 158 Ų | 158 | 57.7 Ų | 57.7 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.8 | -46.4 | 176.8 | -175.3 | -178.9 | 177.7 | -176.2 | 0 | 111.1 | E315 S316 V317 F321 R322 S323 | E315-K319 VanDerWaalsContact O-CB 3.31Å; E315-K319 WeakPolarHBondContact O-CB 3.48Å; E315-K319 PolarHBondContact O-N 3.22Å; S316-K319 WeakPolarHBondContact O-CB 3.43Å; S316-K319 PolarHBondContact O-N 2.84Å; S316-K319 VanDerWaalsContact O-N 3.1Å; V317-K319 VanDerWaalsContact C-N 3.34Å; V317-K319 PolarHBondContact O-N 2.67Å; K319-F321 VanDerWaalsContact C-N 3.32Å; K319-F321 PolarHBondContact O-N 3.11Å; K319-R322 PolarHBondContact O-N 2.95Å; K319-S323 WeakPolarHBondContact O-CB 3.27Å; K319-S323 PolarHBondContact O-N 2.83Å; K319-S323 PolarHBondContact O-OG 2.76Å |
| 320 | Q | 88.5 | Confident | 86.3 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 27% | 0.271 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -62.6 | -38.1 | 176.9 | -69.8 | 179.1 | -22.4 | 0 | 0 | 112.3 | S316 V317 S323 G324 E325 C326 | S316-Q320 WeakPolarHBondContact O-CG 3.24Å; S316-Q320 PolarHBondContact O-N 2.64Å; V317-Q320 PolarHBondContact O-N 3.49Å; Q320-S323 PolarHBondContact O-OG 3.09Å; Q320-S323 VanDerWaalsContact O-OG 3.05Å; Q320-G324 PolarHBondContact O-N 3.33Å; Q320-E325 HydrophobicContact CB-CB 4.42Å; Q320-E325 WeakPolarHBondContact O-CB 3.21Å; Q320-E325 PolarHBondContact O-N 2.81Å; Q320-E325 VanDerWaalsContact O-N 3.09Å; Q320-C326 PolarHBondContact O-N 3.13Å |
| 321 | F | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.4 | -47.2 | 175.3 | -169.1 | -121.1 | 0 | 0 | 0 | 110.9 | Q277 V279 V317 M318 K319 S323 G324 C326 L329 I339 V341 V344 | Q277-F321 HydrophobicContact CB-CE2 4.03Å; Q277-F321 HydrophobicContact CB-CZ 4.06Å; Q277-F321 HydrophobicContact CG-CE2 4.44Å; Q277-F321 PolarHBondContact NE2-O 3.34Å; V279-F321 HydrophobicContact CG2-CE1 4.07Å; V279-F321 HydrophobicContact CG2-CZ 3.88Å; V317-F321 WeakPolarHBondContact O-CB 3.03Å; V317-F321 PolarHBondContact O-N 3.05Å; M318-F321 PolarHBondContact O-N 3.46Å; K319-F321 VanDerWaalsContact C-N 3.32Å; K319-F321 PolarHBondContact O-N 3.11Å; F321-S323 VanDerWaalsContact C-N 3.3Å; F321-S323 PolarHBondContact O-N 2.85Å; F321-G324 PolarHBondContact O-N 2.89Å; F321-C326 WeakPolarHBondContact CD2-O 3.42Å; F321-L329 HydrophobicContact CD1-CB 4.12Å; F321-L329 HydrophobicContact CD1-CD2 3.71Å; F321-L329 HydrophobicContact CD2-CB 3.68Å; F321-L329 HydrophobicContact CE1-CB 4Å; F321-L329 HydrophobicContact CE1-CD2 3.86Å; F321-L329 HydrophobicContact CE2-CB 3.54Å; F321-L329 HydrophobicContact CG-CB 3.98Å; F321-L329 HydrophobicContact CG-CD2 4.16Å; F321-L329 HydrophobicContact CZ-CB 3.7Å; F321-L329 HydrophobicContact CZ-CD2 4.4Å; F321-I339 HydrophobicContact CE1-CG2 4.46Å; F321-V341 HydrophobicContact CD1-CB 4.39Å; F321-V341 HydrophobicContact CD1-CG1 4.31Å; F321-V341 HydrophobicContact CD1-CG2 3.81Å; F321-V341 HydrophobicContact CE1-CB 4.09Å; F321-V341 HydrophobicContact CE1-CG1 4.03Å; F321-V341 HydrophobicContact CE1-CG2 3.97Å; F321-V344 HydrophobicContact CE1-CG2 3.88Å; F321-V344 HydrophobicContact CZ-CG2 3.85Å |
| 322 | R | 84 | Confident | 87.4 | Confident | 132 Ų | 132 | 52 Ų | 52 | 50% | 0.498 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.1 | -34.8 | 177.9 | -76.5 | 173.6 | -174.1 | 152.1 | 2.3 | 113.7 | M318 K319 G324 V341 | M318-R322 WeakPolarHBondContact O-CB 3.29Å; M318-R322 VanDerWaalsContact O-CG 3.29Å; M318-R322 WeakPolarHBondContact O-CG 3.21Å; M318-R322 PolarHBondContact O-N 2.67Å; K319-R322 PolarHBondContact O-N 2.95Å; R322-G324 PolarHBondContact O-N 3.18Å; R322-V341 HydrophobicContact CG-CG2 3.81Å |
| 323 | S | 86.5 | Confident | 87 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 56% | 0.559 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -13 | 177.5 | 65.4 | 0 | 0 | 0 | 0 | 113.6 | K319 Q320 F321 E325 | K319-S323 WeakPolarHBondContact O-CB 3.27Å; K319-S323 PolarHBondContact O-N 2.83Å; K319-S323 PolarHBondContact O-OG 2.76Å; Q320-S323 PolarHBondContact O-OG 3.09Å; Q320-S323 VanDerWaalsContact O-OG 3.05Å; F321-S323 VanDerWaalsContact C-N 3.3Å; F321-S323 PolarHBondContact O-N 2.85Å; S323-E325 VanDerWaalsContact C-N 3.29Å; S323-E325 WeakPolarHBondContact OG-CB 3.37Å; S323-E325 PolarHBondContact OG-N 3.09Å |
| 324 | G | 86.4 | Confident | 86 | Confident | 18 Ų | 18 | 50.3 Ų | 50.3 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 8.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q320 F321 R322 C326 R327 | Q320-G324 PolarHBondContact O-N 3.33Å; F321-G324 PolarHBondContact O-N 2.89Å; R322-G324 PolarHBondContact O-N 3.18Å; G324-C326 VanDerWaalsContact C-N 3.32Å; G324-R327 PolarHBondContact O-NE 2.93Å |
| 325 | E | 89.8 | Confident | 85.2 | Confident | 116 Ų | 116 | 48.3 Ų | 48.3 | 54% | 0.542 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -60.2 | -44.8 | 172.7 | -177.1 | -175.9 | 154.9 | 0 | 0 | 110.4 | T301 Q320 S323 | T301-E325 PolarHBondContact OG1-O 3.05Å; Q320-E325 HydrophobicContact CB-CB 4.42Å; Q320-E325 WeakPolarHBondContact O-CB 3.21Å; Q320-E325 PolarHBondContact O-N 2.81Å; Q320-E325 VanDerWaalsContact O-N 3.09Å; S323-E325 VanDerWaalsContact C-N 3.29Å; S323-E325 WeakPolarHBondContact OG-CB 3.37Å; S323-E325 PolarHBondContact OG-N 3.09Å |
| 326 | C | 90.6 | Very high | 84 | Confident | 12 Ų | 12 | 44.5 Ų | 44.5 | 8% | 0.081 | 22% | 0.22 | C | C | . | . | trans | -99.4 | 127.2 | 167.8 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | Q277 A303 Q320 F321 G324 | Q277-C326 PolarHBondContact NE2-O 3.27Å; A303-C326 HydrophobicContact CB-CB 3.87Å; Q320-C326 PolarHBondContact O-N 3.13Å; F321-C326 WeakPolarHBondContact CD2-O 3.42Å; G324-C326 VanDerWaalsContact C-N 3.32Å | ||
| 327 | R | 91.2 | Very high | 82.9 | Confident | 130 Ų | 130 | 42.2 Ų | 42.2 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -87.8 | -23.7 | 178.7 | -65 | -72.2 | 176.5 | 165.2 | 2.1 | 112.2 | S276 Q277 T278 T301 G324 | S276-R327 WeakPolarHBondContact O-CD 3.4Å; S276-R327 PolarHBondContact O-NH1 2.9Å; Q277-R327 CarbonylContact C-O 3.58Å; Q277-R327 VanDerWaalsContact CA-O 3.24Å; Q277-R327 WeakPolarHBondContact CA-O 3.49Å; T278-R327 PolarHBondContact N-O 2.98Å; T301-R327 PolarHBondContact O-N 2.82Å; T301-R327 PolarHBondContact OG1-N 3.47Å; G324-R327 PolarHBondContact O-NE 2.93Å |
| 328 | I | 93.1 | Very high | 81.3 | Confident | 7 Ų | 7 | 41.7 Ų | 41.7 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 129.9 | -179.5 | -59.4 | 167.7 | 0 | 0 | 0 | 109.1 | F270 T278 V280 L295 F300 T301 V302 A303 I330 | F270-I328 HydrophobicContact CD2-CD1 4.1Å; F270-I328 HydrophobicContact CE1-CD1 4.39Å; F270-I328 HydrophobicContact CE2-CD1 3.47Å; F270-I328 VanDerWaalsContact CE2-CD1 3.47Å; F270-I328 HydrophobicContact CE2-CG1 4.47Å; F270-I328 HydrophobicContact CZ-CD1 3.64Å; F270-I328 HydrophobicContact CZ-CG1 4.17Å; F270-I328 HydrophobicContact CZ-CG2 4.45Å; T278-I328 WeakPolarHBondContact O-CA 3.5Å; V280-I328 HydrophobicContact CG2-CG2 3.95Å; L295-I328 HydrophobicContact CD1-CD1 4.32Å; L295-I328 HydrophobicContact CD1-CG2 4.26Å; F300-I328 HydrophobicContact CB-CD1 3.98Å; F300-I328 HydrophobicContact CD1-CD1 3.85Å; F300-I328 HydrophobicContact CG-CD1 4.01Å; T301-I328 PolarHBondContact O-N 2.79Å; V302-I328 WeakPolarHBondContact CA-O 3.09Å; V302-I328 HydrophobicContact CG1-CB 4.45Å; V302-I328 HydrophobicContact CG1-CG2 4.24Å; V302-I328 HydrophobicContact CG2-CB 4.18Å; V302-I328 HydrophobicContact CG2-CD1 4.34Å; V302-I328 HydrophobicContact CG2-CG2 4.5Å; A303-I328 PolarHBondContact N-O 2.79Å; I328-I330 HydrophobicContact CG2-CG1 4.23Å |
| 329 | L | 92.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 118.2 | 168.8 | 176 | 64.4 | 0 | 0 | 0 | 109.2 | T278 V279 V280 A303 A305 V317 F321 I339 | T278-L329 PolarHBondContact O-N 2.83Å; V279-L329 CarbonylContact C-O 3.6Å; V279-L329 WeakPolarHBondContact CA-O 3.47Å; V280-L329 PolarHBondContact N-O 2.82Å; A303-L329 HydrophobicContact CB-CD1 4.06Å; A303-L329 WeakPolarHBondContact O-CA 3.47Å; A305-L329 HydrophobicContact CB-CD1 3.96Å; V317-L329 HydrophobicContact CG1-CD1 3.88Å; F321-L329 HydrophobicContact CD1-CB 4.12Å; F321-L329 HydrophobicContact CD1-CD2 3.71Å; F321-L329 HydrophobicContact CD2-CB 3.68Å; F321-L329 HydrophobicContact CE1-CB 4Å; F321-L329 HydrophobicContact CE1-CD2 3.86Å; F321-L329 HydrophobicContact CE2-CB 3.54Å; F321-L329 HydrophobicContact CG-CB 3.98Å; F321-L329 HydrophobicContact CG-CD2 4.16Å; F321-L329 HydrophobicContact CZ-CB 3.7Å; F321-L329 HydrophobicContact CZ-CD2 4.4Å; L329-I339 HydrophobicContact CD2-CD1 3.47Å; L329-I339 VanDerWaalsContact CD2-CD1 3.47Å |
| 330 | I | 93.8 | Very high | 79.5 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 128.7 | 171.5 | -56.3 | 167 | 0 | 0 | 0 | 108.5 | V280 V282 V288 L291 A292 L295 V302 A303 A304 A305 I328 | V280-I330 HydrophobicContact CB-CG1 4.24Å; V280-I330 CarbonylContact O-C 3.55Å; V280-I330 WeakPolarHBondContact O-CA 3.42Å; V282-I330 HydrophobicContact CG2-CG2 3.92Å; V288-I330 HydrophobicContact CB-CG2 4.28Å; V288-I330 HydrophobicContact CG1-CB 4.39Å; V288-I330 HydrophobicContact CG1-CG2 3.98Å; V288-I330 HydrophobicContact CG2-CG2 4.34Å; L291-I330 HydrophobicContact CB-CD1 3.98Å; L291-I330 HydrophobicContact CD2-CD1 4.11Å; L291-I330 HydrophobicContact CD2-CG1 4.39Å; L291-I330 HydrophobicContact CD2-CG2 4.19Å; L291-I330 HydrophobicContact CG-CD1 3.75Å; A292-I330 HydrophobicContact CB-CD1 3.79Å; A292-I330 VanDerWaalsContact N-CD1 3.27Å; L295-I330 HydrophobicContact CD1-CD1 4.06Å; V302-I330 HydrophobicContact CG1-CD1 3.51Å; V302-I330 HydrophobicContact CG1-CG1 3.83Å; A303-I330 PolarHBondContact O-N 2.87Å; A304-I330 CarbonylContact C-O 3.51Å; A304-I330 WeakPolarHBondContact CA-O 3.46Å; A305-I330 PolarHBondContact N-O 3.35Å; I328-I330 HydrophobicContact CG2-CG1 4.23Å |
| 331 | S | 90.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 154.7 | -176 | -158.7 | 0 | 0 | 0 | 0 | 114.2 | V280 F281 V282 A305 W335 | V280-S331 PolarHBondContact O-N 3.18Å; F281-S331 WeakPolarHBondContact CA-O 3.13Å; V282-S331 PolarHBondContact N-O 2.98Å; V282-S331 VanDerWaalsContact N-O 3.09Å; A305-S331 WeakPolarHBondContact O-CA 3.26Å; A305-S331 PolarHBondContact O-OG 3.44Å; A305-S331 VanDerWaalsContact O-OG 3.13Å; S331-W335 WeakPolarHBondContact OG-CB 3.36Å |
| 332 | S | 86.3 | Confident | 77.7 | Confident | 11 Ų | 11 | 38.1 Ų | 38.1 | 8% | 0.077 | 19% | 0.189 | C | C | . | . | trans | -89.7 | 158.3 | 164.4 | 59.7 | 0 | 0 | 0 | 0 | 111.3 | V282 M334 W335 A336 | V282-S332 WeakPolarHBondContact O-CA 3.48Å; S332-M334 PolarHBondContact O-N 2.94Å; S332-M334 VanDerWaalsContact O-N 3.09Å; S332-W335 PolarHBondContact O-N 3.47Å; S332-A336 PolarHBondContact O-N 3.1Å | ||
| 333 | D | 75.8 | Confident | 77.4 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 10% | 0.102 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -47.2 | -43.5 | -179.4 | -65.9 | -63.9 | 0 | 0 | 0 | 114.7 | W335 A336 R362 | D333-W335 PolarHBondContact O-N 2.8Å; D333-A336 PolarHBondContact O-N 2.9Å; D333-R362 VanDerWaalsContact CG-NH2 3.25Å; D333-R362 IonicContact OD1-CZ 3.17Å; D333-R362 VanDerWaalsContact OD1-CZ 3.27Å; D333-R362 IonicContact OD1-NE 3.72Å; D333-R362 PolarHBondContact OD1-NE 2.96Å; D333-R362 IonicContact OD1-NH2 3.26Å; D333-R362 PolarHBondContact OD1-NH2 3.18Å; D333-R362 VanDerWaalsContact OD1-NH2 3.11Å; D333-R362 IonicContact OD2-CZ 2.78Å; D333-R362 IonicContact OD2-NE 2.85Å; D333-R362 IonicContact OD2-NH2 3.46Å; D333-R362 PolarHBondContact OD2-NH2 3.17Å |
| 334 | M | 64.6 | Low | 77.3 | Confident | 102 Ų | 102 | 31.3 Ų | 31.3 | 50% | 0.502 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -54.4 | -28.1 | -175.2 | -168.5 | 177.5 | -66.6 | 0 | 0 | 112.8 | R183 S332 | R183-M334 PolarHBondContact NH2-O 3.27Å; S332-M334 PolarHBondContact O-N 2.94Å; S332-M334 VanDerWaalsContact O-N 3.09Å |
| 335 | W | 62.8 | Low | 77.3 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 2% | 0.023 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -107.5 | -18.6 | -170.6 | -143.9 | 90.7 | 0 | 0 | 0 | 114 | A305 R314 V317 M318 S331 S332 D333 | A305-W335 HydrophobicContact CB-CD2 3.48Å; A305-W335 VanDerWaalsContact CB-CD2 3.48Å; A305-W335 HydrophobicContact CB-CE3 3.21Å; A305-W335 HydrophobicContact CB-CG 4.16Å; A305-W335 HydrophobicContact CB-CH2 3.6Å; A305-W335 HydrophobicContact CB-CZ2 3.92Å; A305-W335 HydrophobicContact CB-CZ3 3.24Å; R314-W335 HydrophobicContact CB-CZ2 3.53Å; R314-W335 VanDerWaalsContact CD-NE1 3.32Å; R314-W335 HydrophobicContact CG-CZ2 3.57Å; V317-W335 HydrophobicContact CB-CH2 4.25Å; V317-W335 HydrophobicContact CG1-CH2 3.9Å; V317-W335 HydrophobicContact CG1-CZ3 4.33Å; M318-W335 HydrophobicContact CG-CH2 3.44Å; M318-W335 VanDerWaalsContact CG-CH2 3.44Å; M318-W335 HydrophobicContact CG-CZ2 4.34Å; M318-W335 HydrophobicContact CG-CZ3 3.79Å; M318-W335 HydrophobicContact SD-CE3 4.3Å; M318-W335 HydrophobicContact SD-CH2 3.61Å; M318-W335 HydrophobicContact SD-CZ3 3.26Å; M318-W335 WeakPolarHBondContact SD-CZ3 3.33Å; S331-W335 WeakPolarHBondContact OG-CB 3.36Å; S332-W335 PolarHBondContact O-N 3.47Å; D333-W335 PolarHBondContact O-N 2.8Å |
| 336 | A | 55 | Low | 77.3 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -84.5 | -18 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115 | F281 S332 D333 G338 I339 R365 | F281-A336 HydrophobicContact CD1-CB 4.29Å; F281-A336 HydrophobicContact CE1-CB 3.05Å; F281-A336 HydrophobicContact CZ-CB 3.26Å; S332-A336 PolarHBondContact O-N 3.1Å; D333-A336 PolarHBondContact O-N 2.9Å; A336-G338 PolarHBondContact O-N 3.38Å; A336-I339 HydrophobicContact CB-CD1 3.9Å; A336-I339 WeakPolarHBondContact O-CB 3.44Å; A336-I339 WeakPolarHBondContact O-CG1 3.37Å; A336-I339 PolarHBondContact O-N 2.91Å; A336-I339 VanDerWaalsContact O-N 3.14Å; A336-R365 WeakPolarHBondContact O-CD 3.29Å; A336-R365 PolarHBondContact O-NE 3.44Å; A336-R365 PolarHBondContact O-NH1 2.88Å |
| 337 | R | 63.2 | Low | 77.4 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 3% | 0.026 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 130.2 | 169.3 | -68.3 | -167.4 | 174.8 | 95.3 | -4 | 109.3 | E179 H361 | E179-R337 VanDerWaalsContact CD-CD 3.45Å; E179-R337 WeakPolarHBondContact OE1-CD 3.36Å; E179-R337 IonicContact OE1-CZ 3.57Å; E179-R337 IonicContact OE1-NE 3.77Å; E179-R337 IonicContact OE1-NH1 2.63Å; E179-R337 PolarHBondContact OE1-NH1 3.01Å; E179-R337 IonicContact OE2-CZ 3.75Å; E179-R337 IonicContact OE2-NE 2.76Å; E179-R337 PolarHBondContact OE2-NE 3.49Å; E179-R337 IonicContact OE2-NH1 3.56Å; E179-R337 PolarHBondContact OE2-NH1 3.08Å; E179-R337 IonicContact OE2-NH2 2.76Å; E179-R337 PolarHBondContact OE2-NH2 2.98Å; R337-H361 HydrophobicContact CG-CB 4.44Å; R337-H361 PolarHBondContact NH2-CD2 3.16Å; R337-H361 PolarHBondContact NH2-NE2 2.95Å |
| 338 | G | 55.5 | Low | 77.6 | Confident | 6 Ų | 6 | 18.9 Ų | 18.9 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -1.3 | -170.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q108 A336 D340 R365 | Q108-G338 PolarHBondContact OE1-O 3.48Å; A336-G338 PolarHBondContact O-N 3.38Å; G338-D340 PolarHBondContact O-N 3.42Å; G338-R365 VanDerWaalsContact N-NH1 3.2Å |
| 339 | I | 64.2 | Low | 77.7 | Confident | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.015 | 10% | 0.102 | C | C | . | . | trans | -66.7 | 113.3 | 166.8 | -64.4 | 174.7 | 0 | 0 | 0 | 107.6 | M318 F321 L329 A336 V341 R365 R368 | M318-I339 HydrophobicContact CE-CB 4.41Å; M318-I339 HydrophobicContact CE-CG1 4.08Å; M318-I339 HydrophobicContact CE-CG2 4.21Å; M318-I339 HydrophobicContact SD-CG1 4.22Å; F321-I339 HydrophobicContact CE1-CG2 4.46Å; L329-I339 HydrophobicContact CD2-CD1 3.47Å; L329-I339 VanDerWaalsContact CD2-CD1 3.47Å; A336-I339 HydrophobicContact CB-CD1 3.9Å; A336-I339 WeakPolarHBondContact O-CB 3.44Å; A336-I339 WeakPolarHBondContact O-CG1 3.37Å; A336-I339 PolarHBondContact O-N 2.91Å; A336-I339 VanDerWaalsContact O-N 3.14Å; I339-V341 HydrophobicContact CG2-CB 4.27Å; I339-V341 HydrophobicContact CG2-CG2 3.82Å; I339-R365 PolarHBondContact O-NH1 2.85Å; I339-R368 VanDerWaalsContact O-CZ 3.22Å; I339-R368 PolarHBondContact O-NH1 2.92Å; I339-R368 PolarHBondContact O-NH2 2.61Å | ||
| 340 | D | 65.3 | Low | 77.9 | Confident | 47 Ų | 47 | 18.6 Ų | 18.6 | 25% | 0.251 | 10% | 0.102 | S | C | . | . | trans | -115.5 | 91.3 | 170.2 | -169.2 | 11.1 | 0 | 0 | 0 | 111.1 | Q108 G338 R368 | Q108-D340 PolarHBondContact NE2-OD2 2.96Å; Q108-D340 VanDerWaalsContact OE1-CB 3.3Å; G338-D340 PolarHBondContact O-N 3.42Å; D340-R368 IonicContact OD1-CZ 2.68Å; D340-R368 IonicContact OD1-NH1 3.6Å; D340-R368 PolarHBondContact OD1-NH1 3.5Å; D340-R368 IonicContact OD2-NH1 3.85Å | ||
| 341 | V | 70.1 | Confident | 78 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.042 | 11% | 0.105 | C | C | . | . | trans | -133.1 | 100 | 179.9 | -178.8 | 0 | 0 | 0 | 0 | 106.8 | M318 F321 R322 I339 T343 V344 | M318-V341 HydrophobicContact CE-CG2 4.42Å; F321-V341 HydrophobicContact CD1-CB 4.39Å; F321-V341 HydrophobicContact CD1-CG1 4.31Å; F321-V341 HydrophobicContact CD1-CG2 3.81Å; F321-V341 HydrophobicContact CE1-CB 4.09Å; F321-V341 HydrophobicContact CE1-CG1 4.03Å; F321-V341 HydrophobicContact CE1-CG2 3.97Å; R322-V341 HydrophobicContact CG-CG2 3.81Å; I339-V341 HydrophobicContact CG2-CB 4.27Å; I339-V341 HydrophobicContact CG2-CG2 3.82Å; V341-T343 WeakPolarHBondContact CG1-OG1 3.33Å; V341-T343 PolarHBondContact O-N 2.94Å; V341-T343 VanDerWaalsContact O-N 3.13Å; V341-V344 HydrophobicContact CB-CG2 3.9Å; V341-V344 HydrophobicContact CG1-CG2 3.91Å; V341-V344 WeakPolarHBondContact O-CG2 3.37Å; V341-V344 PolarHBondContact O-N 3.46Å | ||
| 342 | Q | 69.2 | Low | 78.1 | Confident | 95 Ų | 95 | 19.1 Ų | 19.1 | 44% | 0.444 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.9 | -174.6 | -60.7 | 180 | -10.8 | 0 | 0 | 113.5 | V344 F369 R371 | Q342-V344 VanDerWaalsContact C-N 3.33Å; Q342-F369 HydrophobicContact CG-CD2 4.49Å; Q342-R371 VanDerWaalsContact C-NH1 3.34Å; Q342-R371 PolarHBondContact O-NH1 2.96Å |
| 343 | T | 78.2 | Confident | 78.4 | Confident | 61 Ų | 61 | 18.6 Ų | 18.6 | 37% | 0.374 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1 | -177.8 | 38.1 | 0 | 0 | 0 | 0 | 113.7 | Q277 V341 G345 | Q277-T343 PolarHBondContact N-O 3.37Å; Q277-T343 VanDerWaalsContact OE1-CB 3.32Å; Q277-T343 PolarHBondContact OE1-OG1 2.87Å; V341-T343 WeakPolarHBondContact CG1-OG1 3.33Å; V341-T343 PolarHBondContact O-N 2.94Å; V341-T343 VanDerWaalsContact O-N 3.13Å; T343-G345 PolarHBondContact O-N 3.27Å |
| 344 | V | 84.5 | Confident | 78.9 | Confident | 7 Ų | 7 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 109.7 | 175 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | Q277 V279 F321 V341 Q342 L346 V347 S366 | Q277-V344 HydrophobicContact CB-CG2 4.5Å; V279-V344 HydrophobicContact CG2-CG1 3.87Å; V279-V344 HydrophobicContact CG2-CG2 3.92Å; F321-V344 HydrophobicContact CE1-CG2 3.88Å; F321-V344 HydrophobicContact CZ-CG2 3.85Å; V341-V344 HydrophobicContact CB-CG2 3.9Å; V341-V344 HydrophobicContact CG1-CG2 3.91Å; V341-V344 WeakPolarHBondContact O-CG2 3.37Å; V341-V344 PolarHBondContact O-N 3.46Å; Q342-V344 VanDerWaalsContact C-N 3.33Å; V344-L346 WeakPolarHBondContact CG1-O 3.45Å; V344-V347 HydrophobicContact CG1-CG2 4.32Å; V344-S366 WeakPolarHBondContact O-CA 3.41Å; V344-S366 WeakPolarHBondContact O-CB 3.43Å |
| 345 | G | 86.7 | Confident | 79.8 | Confident | 16 Ų | 16 | 23.3 Ų | 23.3 | 17% | 0.165 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -25.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q277 T343 L374 | Q277-G345 PolarHBondContact O-N 2.95Å; Q277-G345 VanDerWaalsContact O-N 3.09Å; T343-G345 PolarHBondContact O-N 3.27Å; G345-L374 PolarHBondContact O-N 2.94Å |
| 346 | L | 90.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 134 | -178 | 177.8 | 62.3 | 0 | 0 | 0 | 111 | L269 F270 V273 V275 T278 V279 V344 V348 L374 V376 | L269-L346 HydrophobicContact CD2-CD2 4.18Å; L269-L346 HydrophobicContact CG-CD2 4.4Å; F270-L346 HydrophobicContact CE1-CD2 4.41Å; V273-L346 HydrophobicContact CG1-CD2 4.17Å; V275-L346 HydrophobicContact CB-CB 4.41Å; V275-L346 HydrophobicContact CG1-CB 4.18Å; V275-L346 HydrophobicContact CG2-CB 3.76Å; V275-L346 HydrophobicContact CG2-CD2 4.37Å; T278-L346 VanDerWaalsContact CA-O 3.31Å; T278-L346 WeakPolarHBondContact CA-O 3.26Å; T278-L346 HydrophobicContact CG2-CB 4.01Å; T278-L346 HydrophobicContact CG2-CD2 3.87Å; T278-L346 HydrophobicContact CG2-CG 3.82Å; T278-L346 WeakPolarHBondContact CG2-O 3.44Å; V279-L346 PolarHBondContact N-O 3.45Å; V344-L346 WeakPolarHBondContact CG1-O 3.45Å; L346-V348 HydrophobicContact CD1-CG2 4.14Å; L346-V348 HydrophobicContact CD2-CG2 3.77Å; L346-V348 HydrophobicContact CG-CG2 3.75Å; L346-L374 CarbonylContact C-O 3.6Å; L346-L374 WeakPolarHBondContact CA-O 3.23Å; L346-L374 HydrophobicContact CD1-CB 4.03Å; L346-L374 HydrophobicContact CD1-CD2 3.89Å; L346-L374 HydrophobicContact CD1-CG 3.76Å; L346-V376 HydrophobicContact CD1-CG2 3.96Å |
| 347 | V | 91.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 129.7 | 163.2 | 175.1 | 0 | 0 | 0 | 0 | 108.2 | V279 F281 V344 R365 L374 A375 V376 | V279-V347 CarbonylContact O-C 3.57Å; V279-V347 WeakPolarHBondContact O-CA 3.43Å; F281-V347 HydrophobicContact CD2-CG1 3.71Å; F281-V347 HydrophobicContact CE2-CG1 3.71Å; V344-V347 HydrophobicContact CG1-CG2 4.32Å; V347-R365 HydrophobicContact CG2-CB 4.02Å; V347-L374 PolarHBondContact N-O 3.47Å; V347-A375 CarbonylContact O-C 3.56Å; V347-A375 VanDerWaalsContact O-CA 3.3Å; V347-A375 WeakPolarHBondContact O-CA 3.48Å; V347-V376 PolarHBondContact O-N 3.22Å |
| 348 | V | 95 | Very high | 82.7 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 115.5 | 174 | -173 | 0 | 0 | 0 | 0 | 109.3 | L266 L269 T278 V279 V280 F281 L346 F350 V376 F378 | L266-V348 HydrophobicContact CD1-CB 4.41Å; L266-V348 HydrophobicContact CD1-CG1 3.93Å; L266-V348 HydrophobicContact CD1-CG2 4.27Å; L269-V348 HydrophobicContact CD2-CG1 4.35Å; L269-V348 HydrophobicContact CD2-CG2 3.71Å; T278-V348 HydrophobicContact CG2-CG2 3.93Å; V279-V348 PolarHBondContact O-N 2.87Å; V280-V348 CarbonylContact C-O 3.55Å; V280-V348 WeakPolarHBondContact CA-O 3.32Å; V280-V348 HydrophobicContact CG1-CB 4.31Å; V280-V348 HydrophobicContact CG2-CB 4.24Å; F281-V348 PolarHBondContact N-O 2.96Å; L346-V348 HydrophobicContact CD1-CG2 4.14Å; L346-V348 HydrophobicContact CD2-CG2 3.77Å; L346-V348 HydrophobicContact CG-CG2 3.75Å; V348-F350 PolarHBondContact O-N 3.2Å; V348-V376 CarbonylContact C-O 3.56Å; V348-V376 VanDerWaalsContact CA-O 3.29Å; V348-V376 WeakPolarHBondContact CA-O 3.35Å; V348-F378 HydrophobicContact CG1-CE1 4.24Å; V348-F378 HydrophobicContact CG1-CE2 4.32Å; V348-F378 HydrophobicContact CG1-CZ 4.07Å |
| 349 | N | 96.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 90.4 | 164.9 | -65 | -41.8 | 0 | 0 | 0 | 107.5 | D351 Y359 R362 V376 S377 F378 | N349-D351 VanDerWaalsContact C-N 3.25Å; N349-D351 WeakPolarHBondContact CB-O 3.31Å; N349-Y359 WeakPolarHBondContact ND2-CE2 3.38Å; N349-R362 WeakPolarHBondContact OD1-CD 3.33Å; N349-V376 PolarHBondContact N-O 3.14Å; N349-S377 PolarHBondContact ND2-OG 2.88Å; N349-F378 PolarHBondContact O-N 2.85Å |
| 350 | F | 96.8 | Very high | 85 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -65.2 | -39.2 | 174.9 | -169.1 | -79.3 | 0 | 0 | 0 | 109.8 | K262 L266 V280 F281 V282 K287 W290 L291 V348 F378 | K262-F350 HydrophobicContact CB-CD1 4.38Å; K262-F350 HydrophobicContact CB-CD2 4.49Å; K262-F350 HydrophobicContact CB-CE1 3.62Å; K262-F350 HydrophobicContact CB-CE2 3.78Å; K262-F350 HydrophobicContact CB-CZ 3.3Å; K262-F350 HydrophobicContact CD-CD1 3.9Å; K262-F350 HydrophobicContact CD-CE1 3.67Å; K262-F350 HydrophobicContact CD-CZ 4.27Å; K262-F350 VanDerWaalsContact CD-O 3.26Å; K262-F350 WeakPolarHBondContact CD-O 3.42Å; K262-F350 WeakPolarHBondContact CE-O 3.4Å; K262-F350 HydrophobicContact CG-CE1 4.28Å; K262-F350 HydrophobicContact CG-CZ 4.4Å; K262-F350 PolarHBondContact NZ-O 3.06Å; L266-F350 HydrophobicContact CB-CE2 4.34Å; L266-F350 HydrophobicContact CD2-CD2 4.06Å; L266-F350 HydrophobicContact CD2-CE2 4.11Å; V280-F350 HydrophobicContact CG1-CB 3.82Å; V280-F350 HydrophobicContact CG1-CD2 4.45Å; F281-F350 WeakPolarHBondContact O-CA 3.39Å; F281-F350 VanDerWaalsContact O-CB 3.23Å; F281-F350 WeakPolarHBondContact O-CB 3.45Å; F281-F350 PolarHBondContact O-N 3.25Å; V282-F350 HydrophobicContact CG1-CB 3.78Å; V282-F350 HydrophobicContact CG1-CD1 3.94Å; V282-F350 HydrophobicContact CG1-CG 4.02Å; K287-F350 VanDerWaalsContact CE-CE1 3.46Å; W290-F350 HydrophobicContact CH2-CZ 4.35Å; W290-F350 HydrophobicContact CZ3-CE1 4.26Å; W290-F350 AromaticContact CZ3-CZ 3.97Å; W290-F350 HydrophobicContact CZ3-CZ 3.97Å; L291-F350 HydrophobicContact CD1-CD2 4.39Å; L291-F350 HydrophobicContact CD1-CE2 3.86Å; L291-F350 HydrophobicContact CD1-CZ 4.24Å; L291-F350 HydrophobicContact CD2-CD2 3.86Å; L291-F350 HydrophobicContact CD2-CE2 4.14Å; L291-F350 HydrophobicContact CD2-CG 4.14Å; V348-F350 PolarHBondContact O-N 3.2Å; F350-F378 HydrophobicContact CD2-CD2 4.11Å; F350-F378 HydrophobicContact CD2-CE2 4.08Å; F350-F378 HydrophobicContact CE2-CE2 4.39Å; F350-F378 HydrophobicContact CG-CD2 4.46Å |
| 351 | D | 95.5 | Very high | 85.5 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 5% | 0.048 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -111.4 | 146.3 | 162.6 | -62.3 | -32.6 | 0 | 0 | 0 | 109.4 | K262 F281 N283 K287 N349 R362 | K262-D351 IonicContact NZ-OD1 3.82Å; K262-D351 PolarHBondContact NZ-OD1 3.33Å; F281-D351 PolarHBondContact O-N 3.2Å; N283-D351 HydrophobicContact CB-CB 4.32Å; N283-D351 PolarHBondContact N-OD2 3.17Å; N283-D351 VanDerWaalsContact N-OD2 3.09Å; N283-D351 WeakPolarHBondContact OD1-CB 3.44Å; K287-D351 WeakPolarHBondContact CD-OD2 3.36Å; K287-D351 VanDerWaalsContact NZ-CG 3.27Å; K287-D351 IonicContact NZ-OD1 3.66Å; K287-D351 PolarHBondContact NZ-OD1 3.25Å; K287-D351 IonicContact NZ-OD2 3.69Å; K287-D351 PolarHBondContact NZ-OD2 3.09Å; K287-D351 VanDerWaalsContact NZ-OD2 3.16Å; N349-D351 VanDerWaalsContact C-N 3.25Å; N349-D351 WeakPolarHBondContact CB-O 3.31Å; D351-R362 PolarHBondContact O-NH1 3.3Å |
| 352 | L | 94.4 | Very high | 86.3 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | trans | -67 | 145.1 | 168.2 | -72.3 | 178.1 | 0 | 0 | 0 | 110.6 | N283 I379 E384 Q387 L388 | N283-L352 PolarHBondContact ND2-O 3.47Å; N283-L352 PolarHBondContact OD1-O 3.05Å; L352-I379 HydrophobicContact CD1-CG2 4.06Å; L352-E384 HydrophobicContact CD1-CB 3.99Å; L352-E384 WeakPolarHBondContact CD1-O 3.45Å; L352-Q387 HydrophobicContact CD1-CB 4.09Å; L352-Q387 HydrophobicContact CD1-CG 4.3Å; L352-L388 HydrophobicContact CD1-CB 4.07Å; L352-L388 HydrophobicContact CD2-CD1 4.09Å | ||
| 353 | P | 91 | Very high | 87 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -61.9 | 145.6 | 176.5 | 26 | -33.2 | 0 | 0 | 0 | 111.1 | N355 E358 Y359 Q387 I391 | P353-N355 PolarHBondContact O-N 3.34Å; P353-E358 HydrophobicContact CB-CB 3.67Å; P353-Y359 HydrophobicContact CG-CD2 3.94Å; P353-Y359 HydrophobicContact CG-CG 4.34Å; P353-Q387 PolarHBondContact O-NE2 3.06Å; P353-I391 HydrophobicContact CG-CD1 4.11Å | ||
| 354 | M | 86.1 | Confident | 86.9 | Confident | 127 Ų | 127 | 17.6 Ų | 17.6 | 63% | 0.626 | 10% | 0.097 | S | C | * | . | S | Bend | trans | -64 | -34.8 | -177.5 | -63 | -62.7 | -70.5 | 0 | 0 | 111.5 | N283 E358 | N283-M354 PolarHBondContact ND2-SD 3.45Å; N283-M354 VanDerWaalsContact ND2-SD 3.4Å; M354-E358 PolarHBondContact N-OE2 2.88Å |
| 355 | N | 83.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 17.6 Ų | 17.6 | 50% | 0.497 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -119.6 | 150.5 | 179.9 | -61.3 | -22.8 | 0 | 0 | 0 | 111.4 | P353 S357 E358 | P353-N355 PolarHBondContact O-N 3.34Å; N355-S357 VanDerWaalsContact C-N 3.29Å; N355-S357 PolarHBondContact O-N 3.05Å; N355-E358 HydrophobicContact CB-CG 4.45Å; N355-E358 PolarHBondContact O-N 3.42Å |
| 356 | T | 84 | Confident | 85.4 | Confident | 41 Ų | 41 | 17 Ų | 17 | 25% | 0.252 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -61.2 | -35.7 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 112.5 | E358 Y359 I391 Y394 Y395 | T356-E358 VanDerWaalsContact C-N 3.32Å; T356-E358 PolarHBondContact O-N 3.35Å; T356-Y359 WeakPolarHBondContact O-CB 3.44Å; T356-Y359 PolarHBondContact O-N 3.5Å; T356-I391 HydrophobicContact CG2-CG1 3.97Å; T356-Y394 HydrophobicContact CG2-CG 4.48Å; T356-Y395 VanDerWaalsContact C-OH 3.25Å; T356-Y395 WeakPolarHBondContact O-CE2 3.21Å; T356-Y395 PolarHBondContact O-OH 2.99Å |
| 357 | S | 77.1 | Confident | 84 | Confident | 14 Ų | 14 | 17.4 Ų | 17.4 | 10% | 0.098 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.5 | -42.8 | 177.1 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | N355 Y359 H361 Y395 | N355-S357 VanDerWaalsContact C-N 3.29Å; N355-S357 PolarHBondContact O-N 3.05Å; S357-Y359 VanDerWaalsContact C-N 3.26Å; S357-Y359 PolarHBondContact O-N 2.87Å; S357-H361 PolarHBondContact O-CD2 3.09Å; S357-Y395 WeakPolarHBondContact CA-OH 3.47Å; S357-Y395 PolarHBondContact N-OH 3.28Å |
| 358 | E | 82.5 | Confident | 82.6 | Confident | 31 Ų | 31 | 18.3 Ų | 18.3 | 15% | 0.145 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.3 | -29.3 | -178.2 | -68.4 | -177.4 | 153 | 0 | 0 | 113.1 | P353 M354 N355 T356 L360 H361 R362 | P353-E358 HydrophobicContact CB-CB 3.67Å; M354-E358 PolarHBondContact N-OE2 2.88Å; N355-E358 HydrophobicContact CB-CG 4.45Å; N355-E358 PolarHBondContact O-N 3.42Å; T356-E358 VanDerWaalsContact C-N 3.32Å; T356-E358 PolarHBondContact O-N 3.35Å; E358-L360 PolarHBondContact O-N 2.67Å; E358-H361 PolarHBondContact O-N 2.76Å; E358-H361 VanDerWaalsContact O-N 3.12Å; E358-R362 WeakPolarHBondContact O-CG 3.32Å; E358-R362 PolarHBondContact O-N 3.04Å |
| 359 | Y | 86.8 | Confident | 80.8 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -54.5 | -52.5 | -179.8 | -174.9 | -99.7 | 0 | 0 | 0 | 112.5 | Q251 N349 P353 T356 S357 H361 R362 I363 I391 I397 I399 | Q251-Y359 PolarHBondContact OE1-OH 3.38Å; N349-Y359 WeakPolarHBondContact ND2-CE2 3.38Å; P353-Y359 HydrophobicContact CG-CD2 3.94Å; P353-Y359 HydrophobicContact CG-CG 4.34Å; T356-Y359 WeakPolarHBondContact O-CB 3.44Å; T356-Y359 PolarHBondContact O-N 3.5Å; S357-Y359 VanDerWaalsContact C-N 3.26Å; S357-Y359 PolarHBondContact O-N 2.87Å; Y359-H361 VanDerWaalsContact C-N 3.28Å; Y359-H361 PolarHBondContact O-N 3.24Å; Y359-R362 WeakPolarHBondContact O-CB 3.45Å; Y359-R362 PolarHBondContact O-N 3.39Å; Y359-R362 VanDerWaalsContact O-N 3.17Å; Y359-I363 HydrophobicContact CD1-CD1 3.84Å; Y359-I363 HydrophobicContact CE1-CD1 3.36Å; Y359-I363 HydrophobicContact CE1-CG1 4.33Å; Y359-I363 HydrophobicContact CE1-CG2 4.17Å; Y359-I363 HydrophobicContact CE2-CG2 4.12Å; Y359-I363 WeakPolarHBondContact O-CG1 3.48Å; Y359-I363 PolarHBondContact O-N 3.4Å; Y359-I391 HydrophobicContact CD1-CG2 3.54Å; Y359-I391 HydrophobicContact CD2-CD1 3.86Å; Y359-I391 HydrophobicContact CD2-CG2 4.13Å; Y359-I391 HydrophobicContact CE1-CG2 3.95Å; Y359-I391 HydrophobicContact CE2-CG2 4.48Å; Y359-I391 HydrophobicContact CG-CD1 4.13Å; Y359-I391 HydrophobicContact CG-CG2 3.65Å; Y359-I397 HydrophobicContact CE1-CD1 4.07Å; Y359-I399 HydrophobicContact CE1-CD1 4.04Å; Y359-I399 HydrophobicContact CE2-CD1 4.34Å; Y359-I399 WeakPolarHBondContact OH-CD1 3.27Å |
| 360 | L | 79.5 | Confident | 79 | Confident | 21 Ų | 21 | 25.3 Ų | 25.3 | 11% | 0.11 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 178.7 | -72.5 | -175.5 | 0 | 0 | 0 | 111.8 | L244 E358 R362 I363 G364 Y395 | L244-L360 HydrophobicContact CB-CD1 4.01Å; E358-L360 PolarHBondContact O-N 2.67Å; L360-R362 PolarHBondContact O-N 2.76Å; L360-I363 HydrophobicContact CD2-CD1 4.21Å; L360-G364 PolarHBondContact O-N 2.91Å; L360-Y395 HydrophobicContact CD1-CD1 3.71Å; L360-Y395 HydrophobicContact CD1-CE1 3.2Å; L360-Y395 HydrophobicContact CD1-CE2 4.32Å; L360-Y395 HydrophobicContact CD1-CG 4.44Å; L360-Y395 HydrophobicContact CG-CD1 4.24Å; L360-Y395 HydrophobicContact CG-CD2 4.41Å; L360-Y395 HydrophobicContact CG-CE1 3.77Å; L360-Y395 HydrophobicContact CG-CE2 3.94Å |
| 361 | H | 76.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 31.4 Ų | 31.4 | 2% | 0.023 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.9 | -35.4 | 178.7 | -64.7 | -80.8 | 0 | 0 | 0 | 113 | D178 R337 S357 E358 Y359 R365 | D178-H361 IonicContact OD2-CE1 3.47Å; D178-H361 IonicContact OD2-NE2 2.64Å; R337-H361 HydrophobicContact CG-CB 4.44Å; R337-H361 PolarHBondContact NH2-CD2 3.16Å; R337-H361 PolarHBondContact NH2-NE2 2.95Å; S357-H361 PolarHBondContact O-CD2 3.09Å; E358-H361 PolarHBondContact O-N 2.76Å; E358-H361 VanDerWaalsContact O-N 3.12Å; Y359-H361 VanDerWaalsContact C-N 3.28Å; Y359-H361 PolarHBondContact O-N 3.24Å; H361-R365 PolarHBondContact O-NE 3.42Å; H361-R365 PolarHBondContact O-NH2 3.2Å |
| 362 | R | 86 | Confident | 76.4 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -52.1 | 175.8 | -71.4 | -172.4 | 179.3 | -169.4 | -0.3 | 110.9 | F281 N283 D333 N349 D351 E358 Y359 L360 R365 | F281-R362 HydrophobicContact CD1-CG 3.81Å; F281-R362 HydrophobicContact CD2-CB 3.8Å; F281-R362 HydrophobicContact CD2-CG 3.92Å; F281-R362 HydrophobicContact CE1-CB 4.32Å; F281-R362 HydrophobicContact CE1-CG 3.71Å; F281-R362 HydrophobicContact CE2-CB 3.59Å; F281-R362 HydrophobicContact CE2-CG 3.88Å; F281-R362 WeakPolarHBondContact CE2-O 3.5Å; F281-R362 HydrophobicContact CG-CB 4.28Å; F281-R362 HydrophobicContact CG-CG 3.87Å; F281-R362 HydrophobicContact CZ-CB 3.86Å; F281-R362 HydrophobicContact CZ-CG 3.77Å; N283-R362 PolarHBondContact OD1-NH2 2.62Å; D333-R362 VanDerWaalsContact CG-NH2 3.25Å; D333-R362 IonicContact OD1-CZ 3.17Å; D333-R362 VanDerWaalsContact OD1-CZ 3.27Å; D333-R362 IonicContact OD1-NE 3.72Å; D333-R362 PolarHBondContact OD1-NE 2.96Å; D333-R362 IonicContact OD1-NH2 3.26Å; D333-R362 PolarHBondContact OD1-NH2 3.18Å; D333-R362 VanDerWaalsContact OD1-NH2 3.11Å; D333-R362 IonicContact OD2-CZ 2.78Å; D333-R362 IonicContact OD2-NE 2.85Å; D333-R362 IonicContact OD2-NH2 3.46Å; D333-R362 PolarHBondContact OD2-NH2 3.17Å; N349-R362 WeakPolarHBondContact OD1-CD 3.33Å; D351-R362 PolarHBondContact O-NH1 3.3Å; E358-R362 WeakPolarHBondContact O-CG 3.32Å; E358-R362 PolarHBondContact O-N 3.04Å; Y359-R362 WeakPolarHBondContact O-CB 3.45Å; Y359-R362 PolarHBondContact O-N 3.39Å; Y359-R362 VanDerWaalsContact O-N 3.17Å; L360-R362 PolarHBondContact O-N 2.76Å; R362-R365 WeakPolarHBondContact O-CB 3.3Å; R362-R365 WeakPolarHBondContact O-CG 3.47Å; R362-R365 PolarHBondContact O-N 2.78Å |
| 363 | I | 84.6 | Confident | 75.7 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -74.5 | -29.3 | -173.6 | 70.6 | 175.3 | 0 | 0 | 0 | 112.4 | L249 Q251 Y359 L360 R365 S366 A375 | L249-I363 HydrophobicContact CD2-CB 3.59Å; L249-I363 HydrophobicContact CD2-CD1 3.46Å; L249-I363 VanDerWaalsContact CD2-CD1 3.46Å; L249-I363 HydrophobicContact CD2-CG1 3.5Å; Q251-I363 HydrophobicContact CG-CD1 4.35Å; Y359-I363 HydrophobicContact CD1-CD1 3.84Å; Y359-I363 HydrophobicContact CE1-CD1 3.36Å; Y359-I363 HydrophobicContact CE1-CG1 4.33Å; Y359-I363 HydrophobicContact CE1-CG2 4.17Å; Y359-I363 HydrophobicContact CE2-CG2 4.12Å; Y359-I363 WeakPolarHBondContact O-CG1 3.48Å; Y359-I363 PolarHBondContact O-N 3.4Å; L360-I363 HydrophobicContact CD2-CD1 4.21Å; I363-R365 PolarHBondContact O-N 3.35Å; I363-S366 PolarHBondContact O-N 2.92Å; I363-S366 VanDerWaalsContact O-N 3.16Å; I363-S366 PolarHBondContact O-OG 3.3Å; I363-A375 HydrophobicContact CB-CB 3.93Å; I363-A375 HydrophobicContact CG2-CB 3.73Å |
| 364 | G | 75.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | 11.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | L360 S366 | L360-G364 PolarHBondContact O-N 2.91Å; G364-S366 CarbonylContact C-O 3.58Å |
| 365 | R | 72.3 | Confident | 75.9 | Confident | 7 Ų | 7 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -27.5 | 167.6 | -57.5 | -60.5 | 131.2 | -176.2 | 0.9 | 112 | F281 A336 G338 I339 V347 H361 R362 I363 | F281-R365 HydrophobicContact CE2-CG 4.39Å; F281-R365 HydrophobicContact CZ-CG 4.13Å; A336-R365 WeakPolarHBondContact O-CD 3.29Å; A336-R365 PolarHBondContact O-NE 3.44Å; A336-R365 PolarHBondContact O-NH1 2.88Å; G338-R365 VanDerWaalsContact N-NH1 3.2Å; I339-R365 PolarHBondContact O-NH1 2.85Å; V347-R365 HydrophobicContact CG2-CB 4.02Å; H361-R365 PolarHBondContact O-NE 3.42Å; H361-R365 PolarHBondContact O-NH2 3.2Å; R362-R365 WeakPolarHBondContact O-CB 3.3Å; R362-R365 WeakPolarHBondContact O-CG 3.47Å; R362-R365 PolarHBondContact O-N 2.78Å; I363-R365 PolarHBondContact O-N 3.35Å |
| 366 | S | 67.6 | Low | 76.4 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -94.8 | 174.9 | 164.7 | 58.5 | 0 | 0 | 0 | 0 | 110.3 | L249 V344 I363 G364 R368 | L249-S366 WeakPolarHBondContact CD1-OG 3.5Å; V344-S366 WeakPolarHBondContact O-CA 3.41Å; V344-S366 WeakPolarHBondContact O-CB 3.43Å; I363-S366 PolarHBondContact O-N 2.92Å; I363-S366 VanDerWaalsContact O-N 3.16Å; I363-S366 PolarHBondContact O-OG 3.3Å; G364-S366 CarbonylContact C-O 3.58Å; S366-R368 PolarHBondContact O-N 3.22Å |
| 367 | G | 60.5 | Low | 77 | Confident | 10 Ų | 10 | 21.1 Ų | 21.1 | 10% | 0.103 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 78.6 | 19.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R371 | G367-R371 CarbonylContact C-O 3.51Å; G367-R371 WeakPolarHBondContact CA-O 3.23Å |
| 368 | R | 63.3 | Low | 78 | Confident | 18 Ų | 18 | 20.5 Ų | 20.5 | 7% | 0.068 | 10% | 0.103 | C | C | . | . | G | 310 helix | trans | -77.6 | 139.9 | -174.4 | -64.1 | -171.2 | 177.9 | -153.7 | -1.5 | 112.1 | I339 D340 S366 G370 R371 | I339-R368 VanDerWaalsContact O-CZ 3.22Å; I339-R368 PolarHBondContact O-NH1 2.92Å; I339-R368 PolarHBondContact O-NH2 2.61Å; D340-R368 IonicContact OD1-CZ 2.68Å; D340-R368 IonicContact OD1-NH1 3.6Å; D340-R368 PolarHBondContact OD1-NH1 3.5Å; D340-R368 IonicContact OD2-NH1 3.85Å; S366-R368 PolarHBondContact O-N 3.22Å; R368-G370 PolarHBondContact O-N 2.85Å; R368-R371 WeakPolarHBondContact O-CB 3.2Å; R368-R371 WeakPolarHBondContact O-CG 3.47Å; R368-R371 PolarHBondContact O-N 3.31Å |
| 369 | F | 57.2 | Low | 78.6 | Confident | 119 Ų | 119 | 19 Ų | 19 | 52% | 0.522 | 10% | 0.097 | S | C | . | . | G | 310 helix | trans | 54.6 | 45.3 | 175.4 | -60.5 | -79.5 | 0 | 0 | 0 | 113.7 | Q342 R371 | Q342-F369 HydrophobicContact CG-CD2 4.49Å; F369-R371 VanDerWaalsContact C-N 3.26Å; F369-R371 PolarHBondContact O-N 2.77Å |
| 370 | G | 57.1 | Low | 79.1 | Confident | 29 Ų | 29 | 19.4 Ų | 19.4 | 30% | 0.299 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | 76 | 6.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | R368 | R368-G370 PolarHBondContact O-N 2.85Š|
| 371 | R | 65.8 | Low | 79.8 | Confident | 127 Ų | 127 | 22 Ų | 22 | 48% | 0.479 | 11% | 0.114 | S | C | . | . | trans | -71.9 | 140.5 | 170.1 | -68.3 | -175.5 | 175.1 | 164.1 | 4 | 109.1 | Q342 G367 R368 F369 G373 | Q342-R371 VanDerWaalsContact C-NH1 3.34Å; Q342-R371 PolarHBondContact O-NH1 2.96Å; G367-R371 CarbonylContact C-O 3.51Å; G367-R371 WeakPolarHBondContact CA-O 3.23Å; R368-R371 WeakPolarHBondContact O-CB 3.2Å; R368-R371 WeakPolarHBondContact O-CG 3.47Å; R368-R371 PolarHBondContact O-N 3.31Å; F369-R371 VanDerWaalsContact C-N 3.26Å; F369-R371 PolarHBondContact O-N 2.77Å; R371-G373 PolarHBondContact O-N 3.4Å | ||
| 372 | T | 72.4 | Confident | 80.6 | Confident | 57 Ų | 57 | 25.8 Ų | 25.8 | 35% | 0.35 | 15% | 0.145 | S | C | . | . | trans | -64 | 125.5 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 373 | G | 80.7 | Confident | 80.9 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 153.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D248 L249 Q250 R371 | D248-G373 PolarHBondContact O-N 2.87Å; D248-G373 VanDerWaalsContact O-N 3.11Å; L249-G373 VanDerWaalsContact CD1-C 3.5Å; Q250-G373 PolarHBondContact N-O 2.85Å; R371-G373 PolarHBondContact O-N 3.4Å |
| 374 | L | 88.7 | Confident | 81.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.9 | 167.1 | -177.2 | 61.9 | 0 | 0 | 0 | 109.6 | Q250 F252 V273 G345 L346 V347 V376 L406 L410 | Q250-L374 HydrophobicContact CB-CD1 4.09Å; Q250-L374 CarbonylContact O-C 2.87Å; Q250-L374 WeakPolarHBondContact O-CA 3.26Å; F252-L374 HydrophobicContact CD2-CD1 3.54Å; F252-L374 HydrophobicContact CE2-CD1 3.68Å; V273-L374 HydrophobicContact CG1-CD2 4.26Å; V273-L374 HydrophobicContact CG2-CD2 4.16Å; G345-L374 PolarHBondContact O-N 2.94Å; L346-L374 CarbonylContact C-O 3.6Å; L346-L374 WeakPolarHBondContact CA-O 3.23Å; L346-L374 HydrophobicContact CD1-CB 4.03Å; L346-L374 HydrophobicContact CD1-CD2 3.89Å; L346-L374 HydrophobicContact CD1-CG 3.76Å; V347-L374 PolarHBondContact N-O 3.47Å; L374-V376 HydrophobicContact CD1-CG2 4.42Å; L374-V376 HydrophobicContact CD2-CG2 4.4Å; L374-V376 HydrophobicContact CG-CG2 4.11Å; L374-L406 HydrophobicContact CD2-CD2 3.86Å; L374-L406 HydrophobicContact CD2-CG 4.24Å; L374-L410 HydrophobicContact CB-CD2 3.91Å; L374-L410 HydrophobicContact CD2-CD1 4.3Å; L374-L410 HydrophobicContact CD2-CD2 4.41Å; L374-L410 HydrophobicContact CD2-CG 4.35Å |
| 375 | A | 91.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L249 Q250 Q251 F252 V347 I363 | L249-A375 HydrophobicContact CD1-CB 4.06Å; L249-A375 HydrophobicContact CD2-CB 4.3Å; L249-A375 HydrophobicContact CG-CB 4.32Å; Q250-A375 PolarHBondContact O-N 3.13Å; Q251-A375 CarbonylContact C-O 3.55Å; Q251-A375 WeakPolarHBondContact CA-O 3.31Å; Q251-A375 HydrophobicContact CG-CB 4.2Å; F252-A375 PolarHBondContact N-O 3.05Å; V347-A375 CarbonylContact O-C 3.56Å; V347-A375 VanDerWaalsContact O-CA 3.3Å; V347-A375 WeakPolarHBondContact O-CA 3.48Å; I363-A375 HydrophobicContact CB-CB 3.93Å; I363-A375 HydrophobicContact CG2-CB 3.73Å |
| 376 | V | 94.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.1 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | F252 I254 L269 L346 V347 V348 N349 L374 F378 L406 | F252-V376 CarbonylContact O-C 3.38Å; F252-V376 WeakPolarHBondContact O-CA 3.22Å; I254-V376 HydrophobicContact CD1-CG1 3.79Å; I254-V376 HydrophobicContact CG1-CG1 3.81Å; L269-V376 HydrophobicContact CD1-CG2 4.26Å; L269-V376 HydrophobicContact CD2-CB 4.13Å; L269-V376 HydrophobicContact CD2-CG1 4.13Å; L269-V376 HydrophobicContact CD2-CG2 4.29Å; L346-V376 HydrophobicContact CD1-CG2 3.96Å; V347-V376 PolarHBondContact O-N 3.22Å; V348-V376 CarbonylContact C-O 3.56Å; V348-V376 VanDerWaalsContact CA-O 3.29Å; V348-V376 WeakPolarHBondContact CA-O 3.35Å; N349-V376 PolarHBondContact N-O 3.14Å; L374-V376 HydrophobicContact CD1-CG2 4.42Å; L374-V376 HydrophobicContact CD2-CG2 4.4Å; L374-V376 HydrophobicContact CG-CG2 4.11Å; V376-F378 HydrophobicContact CG1-CD1 4.18Å; V376-F378 HydrophobicContact CG1-CE1 3.86Å; V376-L406 HydrophobicContact CG2-CD2 3.73Å |
| 377 | S | 96.4 | Very high | 84.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.4 | 177.9 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | F252 Y253 I254 N349 | F252-S377 PolarHBondContact O-N 3.1Å; Y253-S377 CarbonylContact C-O 3.56Å; Y253-S377 WeakPolarHBondContact CA-O 3.48Å; Y253-S377 WeakPolarHBondContact CB-O 3.32Å; I254-S377 PolarHBondContact N-O 3.24Å; N349-S377 PolarHBondContact ND2-OG 2.88Å |
| 378 | F | 97.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.7 | 175.5 | -66.9 | -8.1 | 0 | 0 | 0 | 110.4 | I254 V256 K262 A265 L266 L269 V348 N349 F350 V376 | I254-F378 HydrophobicContact CB-CD1 3.91Å; I254-F378 HydrophobicContact CB-CE1 4.14Å; I254-F378 HydrophobicContact CD1-CE1 3.97Å; I254-F378 HydrophobicContact CG1-CE1 4.37Å; I254-F378 WeakPolarHBondContact O-CA 3.36Å; V256-F378 HydrophobicContact CG1-CB 4.29Å; V256-F378 HydrophobicContact CG1-CD1 4.43Å; V256-F378 HydrophobicContact CG1-CD2 4.43Å; V256-F378 HydrophobicContact CG1-CG 4.14Å; K262-F378 HydrophobicContact CB-CD2 4Å; K262-F378 HydrophobicContact CD-CB 4.34Å; K262-F378 HydrophobicContact CG-CB 4.27Å; K262-F378 HydrophobicContact CG-CD2 4.09Å; K262-F378 WeakPolarHBondContact O-CE2 3.48Å; A265-F378 HydrophobicContact CB-CE2 4.13Å; A265-F378 HydrophobicContact CB-CZ 4.02Å; L266-F378 HydrophobicContact CB-CE2 3.96Å; L266-F378 HydrophobicContact CB-CZ 4.24Å; L266-F378 HydrophobicContact CD1-CE2 4.32Å; L266-F378 HydrophobicContact CD1-CZ 4.27Å; L269-F378 HydrophobicContact CD2-CE1 4.31Å; L269-F378 HydrophobicContact CD2-CZ 4.28Å; V348-F378 HydrophobicContact CG1-CE1 4.24Å; V348-F378 HydrophobicContact CG1-CE2 4.32Å; V348-F378 HydrophobicContact CG1-CZ 4.07Å; N349-F378 PolarHBondContact O-N 2.85Å; F350-F378 HydrophobicContact CD2-CD2 4.11Å; F350-F378 HydrophobicContact CD2-CE2 4.08Å; F350-F378 HydrophobicContact CE2-CE2 4.39Å; F350-F378 HydrophobicContact CG-CD2 4.46Å; V376-F378 HydrophobicContact CG1-CD1 4.18Å; V376-F378 HydrophobicContact CG1-CE1 3.86Å |
| 379 | I | 96.8 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.1 | 168.4 | 68.3 | 177.9 | 0 | 0 | 0 | 108.3 | Y253 I254 D255 V256 L352 E384 R385 L388 | Y253-I379 HydrophobicContact CD2-CD1 3.47Å; Y253-I379 VanDerWaalsContact CD2-CD1 3.47Å; Y253-I379 HydrophobicContact CD2-CG1 3.95Å; Y253-I379 HydrophobicContact CE2-CD1 3.58Å; Y253-I379 HydrophobicContact CE2-CG1 4.41Å; Y253-I379 HydrophobicContact CG-CD1 4.4Å; I254-I379 PolarHBondContact O-N 3.27Å; D255-I379 CarbonylContact C-O 3.24Å; D255-I379 WeakPolarHBondContact CA-O 3.47Å; D255-I379 HydrophobicContact CB-CD1 4.03Å; D255-I379 HydrophobicContact CB-CG1 3.83Å; V256-I379 VanDerWaalsContact CG2-O 3.23Å; V256-I379 WeakPolarHBondContact CG2-O 3.41Å; V256-I379 PolarHBondContact N-O 3.02Å; L352-I379 HydrophobicContact CD1-CG2 4.06Å; I379-E384 HydrophobicContact CB-CB 4.19Å; I379-E384 HydrophobicContact CG2-CB 4.36Å; I379-R385 HydrophobicContact CD1-CB 4.25Å; I379-R385 HydrophobicContact CD1-CG 4.24Å; I379-L388 HydrophobicContact CG2-CB 4.38Å; I379-L388 HydrophobicContact CG2-CD2 4.09Å |
| 380 | A | 95.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | trans | -123.2 | -14.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V256 G257 E384 | V256-A380 HydrophobicContact CG2-CB 3.67Å; G257-A380 CarbonylContact C-O 3.43Å; G257-A380 VanDerWaalsContact C-O 3.24Å; A380-E384 WeakPolarHBondContact CA-OE2 3.29Å; A380-E384 VanDerWaalsContact CB-OE2 3.3Å; A380-E384 WeakPolarHBondContact CB-OE2 3.46Å; A380-E384 PolarHBondContact N-OE2 3.41Å | ||
| 381 | N | 94.6 | Very high | 91 | Very high | 77 Ų | 77 | 48.2 Ų | 48.2 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -152.4 | 176.3 | -177.9 | 62 | 48.1 | 0 | 0 | 0 | 111.9 | E383 E384 R385 | N381-E383 VanDerWaalsContact C-N 3.29Å; N381-E383 PolarHBondContact O-N 3.44Å; N381-E383 WeakPolarHBondContact OD1-CA 3.46Å; N381-E383 WeakPolarHBondContact OD1-CB 3.47Å; N381-E383 PolarHBondContact OD1-N 3.24Å; N381-E384 PolarHBondContact OD1-N 3.37Å; N381-R385 PolarHBondContact O-N 2.88Å |
| 382 | A | 93.8 | Very high | 92.2 | Very high | 83 Ų | 83 | 42.9 Ų | 42.9 | 69% | 0.686 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.9 | -28.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R385 K386 | A382-R385 PolarHBondContact O-N 3.01Å; A382-K386 PolarHBondContact O-N 3.25Å |
| 383 | E | 93.6 | Very high | 93 | Very high | 152 Ų | 152 | 46 Ų | 46 | 71% | 0.71 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -70.7 | -48.8 | 178.1 | -175.7 | 178 | -168.6 | 0 | 0 | 111 | N381 R385 K386 Q387 | N381-E383 VanDerWaalsContact C-N 3.29Å; N381-E383 PolarHBondContact O-N 3.44Å; N381-E383 WeakPolarHBondContact OD1-CA 3.46Å; N381-E383 WeakPolarHBondContact OD1-CB 3.47Å; N381-E383 PolarHBondContact OD1-N 3.24Å; E383-R385 VanDerWaalsContact C-N 3.25Å; E383-R385 PolarHBondContact O-N 3.23Å; E383-K386 WeakPolarHBondContact O-CB 3.4Å; E383-K386 PolarHBondContact O-N 2.88Å; E383-Q387 PolarHBondContact O-N 3.19Å |
| 384 | E | 94.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 11% | 0.107 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.8 | -35.5 | 173.4 | -71.5 | -176.9 | 149.2 | 0 | 0 | 111.2 | K262 L352 I379 A380 N381 K386 Q387 L388 | K262-E384 IonicContact NZ-OE1 3.5Å; K262-E384 PolarHBondContact NZ-OE1 2.66Å; K262-E384 IonicContact NZ-OE2 3.79Å; L352-E384 HydrophobicContact CD1-CB 3.99Å; L352-E384 WeakPolarHBondContact CD1-O 3.45Å; I379-E384 HydrophobicContact CB-CB 4.19Å; I379-E384 HydrophobicContact CG2-CB 4.36Å; A380-E384 WeakPolarHBondContact CA-OE2 3.29Å; A380-E384 VanDerWaalsContact CB-OE2 3.3Å; A380-E384 WeakPolarHBondContact CB-OE2 3.46Å; A380-E384 PolarHBondContact N-OE2 3.41Å; N381-E384 PolarHBondContact OD1-N 3.37Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 2.58Å; E384-Q387 PolarHBondContact O-N 3.04Å; E384-L388 WeakPolarHBondContact O-CB 3.44Å; E384-L388 PolarHBondContact O-N 2.89Å |
| 385 | R | 94.4 | Very high | 93 | Very high | 125 Ų | 125 | 49.6 Ų | 49.6 | 47% | 0.472 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 172.5 | -170.6 | 175.2 | -165.9 | -96.4 | -2 | 111.9 | I379 N381 A382 E383 L388 L389 | I379-R385 HydrophobicContact CD1-CB 4.25Å; I379-R385 HydrophobicContact CD1-CG 4.24Å; N381-R385 PolarHBondContact O-N 2.88Å; A382-R385 PolarHBondContact O-N 3.01Å; E383-R385 VanDerWaalsContact C-N 3.25Å; E383-R385 PolarHBondContact O-N 3.23Å; R385-L388 PolarHBondContact O-N 3.09Å; R385-L389 WeakPolarHBondContact O-CG 3.49Å; R385-L389 PolarHBondContact O-N 3.5Å; R385-L389 VanDerWaalsContact O-N 3.16Å |
| 386 | K | 94.2 | Very high | 92.6 | Very high | 134 Ų | 134 | 56.2 Ų | 56.2 | 58% | 0.583 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 175.8 | -173.5 | -170.1 | 175.5 | -158.8 | 0 | 110.9 | A382 E383 E384 L388 L389 E390 | A382-K386 PolarHBondContact O-N 3.25Å; E383-K386 WeakPolarHBondContact O-CB 3.4Å; E383-K386 PolarHBondContact O-N 2.88Å; E384-K386 VanDerWaalsContact C-N 3.34Å; E384-K386 PolarHBondContact O-N 2.58Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 PolarHBondContact O-N 3.21Å; K386-L389 WeakPolarHBondContact O-CB 3.45Å; K386-L389 PolarHBondContact O-N 3.39Å; K386-L389 VanDerWaalsContact O-N 3.12Å; K386-E390 WeakPolarHBondContact CE-OE1 3.15Å; K386-E390 IonicContact NZ-OE1 3.25Å; K386-E390 WeakPolarHBondContact O-CG 3.24Å; K386-E390 PolarHBondContact O-N 3.37Å |
| 387 | Q | 94.3 | Very high | 92.1 | Very high | 45 Ų | 45 | 57.1 Ų | 57.1 | 21% | 0.21 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 177.4 | -170.8 | 178.3 | 25.3 | 0 | 0 | 112.2 | L352 P353 E383 E384 L389 E390 I391 | L352-Q387 HydrophobicContact CD1-CB 4.09Å; L352-Q387 HydrophobicContact CD1-CG 4.3Å; P353-Q387 PolarHBondContact O-NE2 3.06Å; E383-Q387 PolarHBondContact O-N 3.19Å; E384-Q387 PolarHBondContact O-N 3.04Å; Q387-L389 PolarHBondContact O-N 2.92Å; Q387-E390 WeakPolarHBondContact O-CB 3.34Å; Q387-E390 PolarHBondContact O-N 3.17Å; Q387-I391 WeakPolarHBondContact O-CG1 3.23Å; Q387-I391 PolarHBondContact O-N 3.3Å |
| 388 | L | 94.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.031 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 174.2 | -174.3 | 70.8 | 0 | 0 | 0 | 111.9 | Y253 L352 I379 E384 R385 K386 E390 I391 C392 I399 | Y253-L388 HydrophobicContact CD1-CD2 3.73Å; Y253-L388 HydrophobicContact CD2-CD2 4.33Å; Y253-L388 HydrophobicContact CE1-CD2 4.44Å; Y253-L388 HydrophobicContact CG-CD2 3.64Å; L352-L388 HydrophobicContact CD1-CB 4.07Å; L352-L388 HydrophobicContact CD2-CD1 4.09Å; I379-L388 HydrophobicContact CG2-CB 4.38Å; I379-L388 HydrophobicContact CG2-CD2 4.09Å; E384-L388 WeakPolarHBondContact O-CB 3.44Å; E384-L388 PolarHBondContact O-N 2.89Å; R385-L388 PolarHBondContact O-N 3.09Å; K386-L388 VanDerWaalsContact C-N 3.33Å; K386-L388 PolarHBondContact O-N 3.21Å; L388-E390 VanDerWaalsContact C-N 3.34Å; L388-I391 WeakPolarHBondContact O-CB 3.33Å; L388-I391 PolarHBondContact O-N 3.44Å; L388-C392 PolarHBondContact O-N 3.44Å; L388-C392 PolarHBondContact O-SG 3.12Å; L388-I399 HydrophobicContact CD1-CD1 3.65Å; L388-I399 HydrophobicContact CD1-CG2 4.35Å; L388-I399 HydrophobicContact CG-CD1 4.49Å |
| 389 | L | 93.6 | Very high | 91.4 | Very high | 83 Ų | 83 | 61.8 Ų | 61.8 | 44% | 0.435 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.3 | -36.6 | 176.6 | -69.5 | 171.9 | 0 | 0 | 0 | 111.9 | R385 K386 Q387 I391 C392 N393 | R385-L389 WeakPolarHBondContact O-CG 3.49Å; R385-L389 PolarHBondContact O-N 3.5Å; R385-L389 VanDerWaalsContact O-N 3.16Å; K386-L389 WeakPolarHBondContact O-CB 3.45Å; K386-L389 PolarHBondContact O-N 3.39Å; K386-L389 VanDerWaalsContact O-N 3.12Å; Q387-L389 PolarHBondContact O-N 2.92Å; L389-I391 VanDerWaalsContact C-N 3.34Å; L389-C392 PolarHBondContact O-N 2.97Å; L389-N393 WeakPolarHBondContact O-CB 3.27Å; L389-N393 PolarHBondContact O-N 3.48Å; L389-N393 PolarHBondContact O-ND2 3.24Å |
| 390 | E | 92.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 64.4 Ų | 64.4 | 43% | 0.425 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -43 | 172.8 | -72.7 | 172.2 | -172.9 | 0 | 0 | 111.3 | K386 Q387 L388 N393 Y394 | K386-E390 WeakPolarHBondContact CE-OE1 3.15Å; K386-E390 IonicContact NZ-OE1 3.25Å; K386-E390 WeakPolarHBondContact O-CG 3.24Å; K386-E390 PolarHBondContact O-N 3.37Å; Q387-E390 WeakPolarHBondContact O-CB 3.34Å; Q387-E390 PolarHBondContact O-N 3.17Å; L388-E390 VanDerWaalsContact C-N 3.34Å; E390-N393 PolarHBondContact O-N 2.97Å; E390-Y394 WeakPolarHBondContact O-CB 3.45Å; E390-Y394 PolarHBondContact O-N 2.82Å |
| 391 | I | 90.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 173.1 | -66.5 | 165 | 0 | 0 | 0 | 110.9 | P353 T356 Y359 Q387 L388 L389 N393 Y394 Y395 I397 I399 | P353-I391 HydrophobicContact CG-CD1 4.11Å; T356-I391 HydrophobicContact CG2-CG1 3.97Å; Y359-I391 HydrophobicContact CD1-CG2 3.54Å; Y359-I391 HydrophobicContact CD2-CD1 3.86Å; Y359-I391 HydrophobicContact CD2-CG2 4.13Å; Y359-I391 HydrophobicContact CE1-CG2 3.95Å; Y359-I391 HydrophobicContact CE2-CG2 4.48Å; Y359-I391 HydrophobicContact CG-CD1 4.13Å; Y359-I391 HydrophobicContact CG-CG2 3.65Å; Q387-I391 WeakPolarHBondContact O-CG1 3.23Å; Q387-I391 PolarHBondContact O-N 3.3Å; L388-I391 WeakPolarHBondContact O-CB 3.33Å; L388-I391 PolarHBondContact O-N 3.44Å; L389-I391 VanDerWaalsContact C-N 3.34Å; I391-N393 PolarHBondContact O-N 2.85Å; I391-Y394 PolarHBondContact O-N 2.94Å; I391-Y395 HydrophobicContact CG2-CD2 4.01Å; I391-Y395 HydrophobicContact CG2-CE2 4.3Å; I391-Y395 WeakPolarHBondContact O-CD2 3.26Å; I391-Y395 PolarHBondContact O-N 2.95Å; I391-Y395 VanDerWaalsContact O-N 3.16Å; I391-I397 HydrophobicContact CG2-CD1 4.44Å; I391-I399 HydrophobicContact CG2-CD1 4.4Å |
| 392 | C | 90.5 | Very high | 91 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.5 | -48.2 | 179.3 | -66 | 0 | 0 | 0 | 0 | 111.5 | L388 L389 Q396 I397 | L388-C392 PolarHBondContact O-N 3.44Å; L388-C392 PolarHBondContact O-SG 3.12Å; L389-C392 PolarHBondContact O-N 2.97Å; C392-Q396 CarbonylContact O-C 3.46Å; C392-Q396 VanDerWaalsContact O-CA 3.23Å; C392-Q396 WeakPolarHBondContact O-CA 3.3Å; C392-Q396 PolarHBondContact O-N 3.14Å; C392-I397 WeakPolarHBondContact CB-O 3.06Å; C392-I397 PolarHBondContact O-N 3.42Å |
| 393 | N | 90.4 | Very high | 90.6 | Very high | 122 Ų | 122 | 64.1 Ų | 64.1 | 65% | 0.652 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.8 | -39.2 | -179.7 | -70.1 | -20.2 | 0 | 0 | 0 | 112 | L389 E390 I391 Q396 | L389-N393 WeakPolarHBondContact O-CB 3.27Å; L389-N393 PolarHBondContact O-N 3.48Å; L389-N393 PolarHBondContact O-ND2 3.24Å; E390-N393 PolarHBondContact O-N 2.97Å; I391-N393 PolarHBondContact O-N 2.85Å; N393-Q396 PolarHBondContact O-N 3.28Å |
| 394 | Y | 85.5 | Confident | 89.7 | Confident | 71 Ų | 71 | 62.4 Ų | 62.4 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.1 | -42.4 | -176.7 | -175.9 | -93.7 | 0 | 0 | 0 | 112.7 | L220 T356 E390 I391 | L220-Y394 WeakPolarHBondContact CD2-OH 3.42Å; T356-Y394 HydrophobicContact CG2-CG 4.48Å; E390-Y394 WeakPolarHBondContact O-CB 3.45Å; E390-Y394 PolarHBondContact O-N 2.82Å; I391-Y394 PolarHBondContact O-N 2.94Å |
| 395 | Y | 82.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.016 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -95.2 | -1.7 | 177.9 | -64.1 | -65.6 | 0 | 0 | 0 | 114 | L244 T356 S357 L360 I391 I397 | L244-Y395 HydrophobicContact CD1-CD1 4.49Å; T356-Y395 VanDerWaalsContact C-OH 3.25Å; T356-Y395 WeakPolarHBondContact O-CE2 3.21Å; T356-Y395 PolarHBondContact O-OH 2.99Å; S357-Y395 WeakPolarHBondContact CA-OH 3.47Å; S357-Y395 PolarHBondContact N-OH 3.28Å; L360-Y395 HydrophobicContact CD1-CD1 3.71Å; L360-Y395 HydrophobicContact CD1-CE1 3.2Å; L360-Y395 HydrophobicContact CD1-CE2 4.32Å; L360-Y395 HydrophobicContact CD1-CG 4.44Å; L360-Y395 HydrophobicContact CG-CD1 4.24Å; L360-Y395 HydrophobicContact CG-CD2 4.41Å; L360-Y395 HydrophobicContact CG-CE1 3.77Å; L360-Y395 HydrophobicContact CG-CE2 3.94Å; I391-Y395 HydrophobicContact CG2-CD2 4.01Å; I391-Y395 HydrophobicContact CG2-CE2 4.3Å; I391-Y395 WeakPolarHBondContact O-CD2 3.26Å; I391-Y395 PolarHBondContact O-N 2.95Å; I391-Y395 VanDerWaalsContact O-N 3.16Å; Y395-I397 VanDerWaalsContact C-N 3.25Å; Y395-I397 PolarHBondContact O-N 3.47Å |
| 396 | Q | 83.6 | Confident | 87.6 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 65% | 0.654 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 41.1 | -174.8 | -55.9 | -179.5 | -1.9 | 0 | 0 | 112.6 | D242 C392 N393 | D242-Q396 HydrophobicContact CB-CB 4.39Å; C392-Q396 CarbonylContact O-C 3.46Å; C392-Q396 VanDerWaalsContact O-CA 3.23Å; C392-Q396 WeakPolarHBondContact O-CA 3.3Å; C392-Q396 PolarHBondContact O-N 3.14Å; N393-Q396 PolarHBondContact O-N 3.28Å |
| 397 | I | 85.1 | Confident | 86.1 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.097 | 34% | 0.34 | C | S | . | . | trans | -109.5 | 156.7 | -179.6 | 62.3 | 178.2 | 0 | 0 | 0 | 111.9 | S245 Y359 I391 C392 Y395 I399 | S245-I397 VanDerWaalsContact CB-CG2 3.44Å; Y359-I397 HydrophobicContact CE1-CD1 4.07Å; I391-I397 HydrophobicContact CG2-CD1 4.44Å; C392-I397 WeakPolarHBondContact CB-O 3.06Å; C392-I397 PolarHBondContact O-N 3.42Å; Y395-I397 VanDerWaalsContact C-N 3.25Å; Y395-I397 PolarHBondContact O-N 3.47Å; I397-I399 HydrophobicContact CD1-CD1 4.1Å; I397-I399 HydrophobicContact CD1-CG1 4.19Å; I397-I399 HydrophobicContact CG1-CG1 4.41Å | ||
| 398 | A | 87.1 | Confident | 84.4 | Confident | 84 Ų | 84 | 64 Ų | 64 | 69% | 0.694 | 35% | 0.354 | S | S | * | . | trans | -103.3 | 123.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P400 | A398-P400 WeakPolarHBondContact O-CD 3.38Š| ||
| 399 | I | 92.3 | Very high | 82.7 | Confident | 13 Ų | 13 | 66.2 Ų | 66.2 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | trans | -112.9 | 91 | 169.3 | -54.6 | 171.1 | 0 | 0 | 0 | 107.1 | Q251 F252 Y253 Y359 L388 I391 I397 | Q251-I399 HydrophobicContact CB-CG1 4.28Å; Q251-I399 HydrophobicContact CB-CG2 4.45Å; F252-I399 VanDerWaalsContact C-CG2 3.47Å; Y253-I399 HydrophobicContact CD1-CG2 4.27Å; Y253-I399 WeakPolarHBondContact CD1-O 3.5Å; Y253-I399 WeakPolarHBondContact CE1-O 3.41Å; Y359-I399 HydrophobicContact CE1-CD1 4.04Å; Y359-I399 HydrophobicContact CE2-CD1 4.34Å; Y359-I399 WeakPolarHBondContact OH-CD1 3.27Å; L388-I399 HydrophobicContact CD1-CD1 3.65Å; L388-I399 HydrophobicContact CD1-CG2 4.35Å; L388-I399 HydrophobicContact CG-CD1 4.49Å; I391-I399 HydrophobicContact CG2-CD1 4.4Å; I397-I399 HydrophobicContact CD1-CD1 4.1Å; I397-I399 HydrophobicContact CD1-CG1 4.19Å; I397-I399 HydrophobicContact CG1-CG1 4.41Å | ||
| 400 | P | 93.3 | Very high | 80.8 | Confident | 57 Ų | 57 | 63.6 Ų | 63.6 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 162.8 | 179.3 | 27 | -34.9 | 0 | 0 | 0 | 112.6 | Q251 F252 Y253 A398 | Q251-P400 WeakPolarHBondContact O-CD 3.25Å; F252-P400 VanDerWaalsContact CA-O 3.29Å; F252-P400 WeakPolarHBondContact CA-O 3.17Å; F252-P400 HydrophobicContact CD1-CG 3.81Å; F252-P400 HydrophobicContact CE1-CG 3.75Å; Y253-P400 VanDerWaalsContact CD1-C 3.49Å; Y253-P400 WeakPolarHBondContact CD1-O 3.24Å; Y253-P400 PolarHBondContact N-O 3.44Å; A398-P400 WeakPolarHBondContact O-CD 3.38Å |
| 401 | P | 93.1 | Very high | 78.9 | Confident | 79 Ų | 79 | 63.9 Ų | 63.9 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | B | Isolated β-bridge | trans | -58.4 | 140.4 | 167.7 | -8.9 | 17.2 | 0 | 0 | 0 | 110.6 | Y253 | Y253-P401 HydrophobicContact CE1-CB 4.11Å; Y253-P401 HydrophobicContact CE1-CG 3.84Å; Y253-P401 VanDerWaalsContact CE1-N 3.28Å; Y253-P401 HydrophobicContact CE2-CB 4.37Å; Y253-P401 CarbonylContact O-C 3.52Å; Y253-P401 WeakPolarHBondContact O-CA 3.49Å; Y253-P401 WeakPolarHBondContact OH-CG 3.39Å |
| 402 | A | 90.7 | Very high | 76.4 | Confident | 27 Ų | 27 | 68.4 Ų | 68.4 | 22% | 0.223 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -58 | 127.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F252 Y253 I254 L406 | F252-A402 HydrophobicContact CB-CB 3.92Å; F252-A402 HydrophobicContact CG-CB 4.42Å; Y253-A402 WeakPolarHBondContact O-CB 3.35Å; Y253-A402 PolarHBondContact O-N 3.3Å; I254-A402 HydrophobicContact CD1-CB 4.12Å; I254-A402 HydrophobicContact CG1-CB 3.54Å; A402-L406 HydrophobicContact CB-CD1 3.66Å |
| 403 | P | 86.3 | Confident | 73.9 | Confident | 55 Ų | 55 | 73.8 Ų | 73.8 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 154.1 | 175 | 22.2 | -29.7 | 0 | 0 | 0 | 111 | F252 R405 L406 M409 | F252-P403 HydrophobicContact CE1-CG 4.3Å; F252-P403 HydrophobicContact CZ-CG 4.48Å; P403-R405 PolarHBondContact O-N 3.04Å; P403-L406 VanDerWaalsContact CD-CD1 3.49Å; P403-L406 HydrophobicContact CG-CD1 3.87Å; P403-L406 WeakPolarHBondContact O-CD1 3.42Å; P403-M409 HydrophobicContact CG-SD 3.48Å; P403-M409 WeakPolarHBondContact CG-SD 3.45Å |
| 404 | A | 75 | Confident | 71.3 | Confident | 116 Ų | 116 | 75.4 Ų | 75.4 | 96% | 0.959 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -59.4 | -15.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 405 | R | 71.6 | Confident | 68.6 | Low | 167 Ų | 167 | 76.4 Ų | 76.4 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | trans | -131.8 | 83 | 178.5 | -78.3 | -172 | 179.1 | 166.9 | -4.2 | 110 | P403 D407 | P403-R405 PolarHBondContact O-N 3.04Å; R405-D407 VanDerWaalsContact C-N 3.27Å; R405-D407 WeakPolarHBondContact CA-OD1 3.46Å; R405-D407 VanDerWaalsContact CB-OD1 3.27Å; R405-D407 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 406 | L | 71.8 | Confident | 66.1 | Low | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.037 | 47% | 0.474 | C | S | . | . | trans | -68.3 | -27.7 | 176.4 | -120.8 | 70.6 | 0 | 0 | 0 | 112.5 | F252 L269 V273 L374 V376 A402 P403 K408 M409 | F252-L406 HydrophobicContact CD2-CD1 4.49Å; L269-L406 HydrophobicContact CD1-CD2 3.48Å; L269-L406 VanDerWaalsContact CD1-CD2 3.48Å; V273-L406 HydrophobicContact CG2-CB 3.81Å; V273-L406 HydrophobicContact CG2-CD2 3.94Å; V273-L406 HydrophobicContact CG2-CG 4.4Å; L374-L406 HydrophobicContact CD2-CD2 3.86Å; L374-L406 HydrophobicContact CD2-CG 4.24Å; V376-L406 HydrophobicContact CG2-CD2 3.73Å; A402-L406 HydrophobicContact CB-CD1 3.66Å; P403-L406 VanDerWaalsContact CD-CD1 3.49Å; P403-L406 HydrophobicContact CG-CD1 3.87Å; P403-L406 WeakPolarHBondContact O-CD1 3.42Å; L406-K408 VanDerWaalsContact C-N 3.26Å; L406-K408 PolarHBondContact O-N 3.14Å; L406-M409 PolarHBondContact O-N 3.39Å; L406-M409 VanDerWaalsContact O-N 3.12Å | ||
| 407 | D | 62.8 | Low | 63.4 | Low | 70 Ų | 70 | 81.5 Ų | 81.5 | 37% | 0.374 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -54 | -39.4 | -177.7 | 61.2 | -45.1 | 0 | 0 | 0 | 113.5 | S272 R405 M409 | S272-D407 WeakPolarHBondContact O-CB 3.34Å; R405-D407 VanDerWaalsContact C-N 3.27Å; R405-D407 WeakPolarHBondContact CA-OD1 3.46Å; R405-D407 VanDerWaalsContact CB-OD1 3.27Å; R405-D407 WeakPolarHBondContact CB-OD1 3.34Å; D407-M409 PolarHBondContact O-N 3.25Å |
| 408 | K | 58.1 | Low | 60.6 | Low | 116 Ų | 116 | 86.2 Ų | 86.2 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.3 | -19.8 | -176.7 | -66.7 | -168.9 | 172.2 | -161.7 | 0 | 113.9 | L406 T412 | L406-K408 VanDerWaalsContact C-N 3.26Å; L406-K408 PolarHBondContact O-N 3.14Å; K408-T412 PolarHBondContact O-OG1 3.41Å |
| 409 | M | 60.1 | Low | 58 | Low | 52 Ų | 52 | 87.5 Ų | 87.5 | 26% | 0.256 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -81.5 | -21.3 | -173.3 | -54 | -161.5 | 65.2 | 0 | 0 | 112.9 | Q250 F252 P403 L406 D407 T412 | Q250-M409 VanDerWaalsContact OE1-CB 3.23Å; F252-M409 HydrophobicContact CE1-CE 4.45Å; F252-M409 HydrophobicContact CE1-SD 4.26Å; F252-M409 HydrophobicContact CE2-CE 3.98Å; F252-M409 HydrophobicContact CE2-SD 3.66Å; F252-M409 HydrophobicContact CZ-CE 3.41Å; F252-M409 VanDerWaalsContact CZ-CE 3.41Å; F252-M409 HydrophobicContact CZ-SD 3.36Å; F252-M409 WeakPolarHBondContact CZ-SD 3.43Å; P403-M409 HydrophobicContact CG-SD 3.48Å; P403-M409 WeakPolarHBondContact CG-SD 3.45Å; L406-M409 PolarHBondContact O-N 3.39Å; L406-M409 VanDerWaalsContact O-N 3.12Å; D407-M409 PolarHBondContact O-N 3.25Å; M409-T412 PolarHBondContact O-OG1 3.3Å |
| 410 | L | 54.5 | Low | 54.9 | Low | 28 Ų | 28 | 92.9 Ų | 92.9 | 15% | 0.147 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -86.6 | -18.7 | 175.5 | -68 | 176.3 | 0 | 0 | 0 | 113.8 | V273 V275 L374 | V273-L410 HydrophobicContact CG1-CD1 3.5Å; V275-L410 HydrophobicContact CG1-CD1 3.39Å; L374-L410 HydrophobicContact CB-CD2 3.91Å; L374-L410 HydrophobicContact CD2-CD1 4.3Å; L374-L410 HydrophobicContact CD2-CD2 4.41Å; L374-L410 HydrophobicContact CD2-CG 4.35Å |
| 411 | V | 51 | Low | 51.8 | Low | 98 Ų | 98 | 100 Ų | 100 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -91.9 | -15.2 | -174 | -178.5 | 0 | 0 | 0 | 0 | 112 | N413 | V411-N413 PolarHBondContact O-N 3.45Å |
| 412 | T | 40.1 | Very low | 48.9 | Very low | 95 Ų | 95 | 104.5 Ų | 104.5 | 58% | 0.583 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 0.5 | -160 | 18.2 | 0 | 0 | 0 | 0 | 116.9 | K408 M409 | K408-T412 PolarHBondContact O-OG1 3.41Å; M409-T412 PolarHBondContact O-OG1 3.3Å |
| 413 | N | 37.8 | Very low | 45.9 | Very low | 130 Ų | 130 | 106.9 Ų | 106.9 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.7 | 4.6 | 177.2 | -75.9 | -6.6 | 0 | 0 | 0 | 115.7 | V411 | V411-N413 PolarHBondContact O-N 3.45Š|
| 414 | N | 35.7 | Very low | 43.4 | Very low | 155 Ų | 155 | 111.7 Ų | 111.7 | 83% | 0.829 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -109.3 | 12.2 | -176.9 | -86 | -17.5 | 0 | 0 | 0 | 115.3 | ||
| 415 | S | 28.8 | Very low | 41.3 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 65% | 0.65 | 62% | 0.623 | S | S | * | * | trans | -138.4 | 54 | -175.9 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 416 | V | 28.7 | Very low | 39.1 | Very low | 120 Ų | 120 | 109.1 Ų | 109.1 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | -145.8 | 87.2 | 158.9 | -171.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 417 | H | 28.7 | Very low | 37 | Very low | 130 Ų | 130 | 115.3 Ų | 115.3 | 60% | 0.602 | 67% | 0.672 | S | S | * | * | trans | -173.4 | 95.6 | 145.9 | -89.4 | -43.7 | 0 | 0 | 0 | 110 | G3 | G3-H417 PolarHBondContact O-NE2 2.88Š| ||
| 418 | S | 26.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 121.8 Ų | 121.8 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | trans | -75.4 | 129.9 | 161.4 | 50.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 419 | S | 30.9 | Very low | 33.8 | Very low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 71% | 0.705 | S | S | * | * | trans | -136.3 | 147.1 | 163.8 | -73.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 420 | P | 28.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -85.6 | 156.4 | -152.6 | 34.1 | -36.2 | 0 | 0 | 0 | 114.8 | ||||
| 421 | K | 26.7 | Very low | 31.2 | Very low | 205 Ų | 205 | 130.8 Ų | 130.8 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -57 | 133.6 | -178.8 | -61.6 | 172.9 | 177.2 | 176.2 | 0 | 113.5 | ||||
| 422 | I | 33 | Very low | 30.3 | Very low | 175 Ų | 175 | 133.8 Ų | 133.8 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | trans | -135.8 | 140.1 | 147.1 | -59.6 | -178 | 0 | 0 | 0 | 108.4 | ||||
| 423 | A | 28.3 | Very low | 29.7 | Very low | 77 Ų | 77 | 137 Ų | 137 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -98.3 | 173.1 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 424 | N | 33 | Very low | 29.4 | Very low | 155 Ų | 155 | 134.5 Ų | 134.5 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 90.6 | 135.1 | 163.9 | -56.2 | -15.5 | 0 | 0 | 0 | 115.9 | ||||
| 425 | S | 30.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | cis | -164.2 | 166.7 | -1.1 | -109.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 426 | P | 26.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -101.5 | 152 | -152.5 | 37.3 | -32.2 | 0 | 0 | 0 | 114.8 | ||||
| 427 | C | 26.6 | Very low | 29.4 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | -135.1 | 126.4 | 157.4 | -111.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 428 | K | 26.6 | Very low | 30 | Very low | 205 Ų | 205 | 138.9 Ų | 138.9 | 89% | 0.891 | 81% | 0.812 | S | S | * | * | trans | -64.8 | 156.1 | 168.9 | -54.7 | 168.8 | 178.7 | 176.2 | 0 | 107.9 | ||||
| 429 | S | 28.7 | Very low | 30.7 | Very low | 96 Ų | 96 | 141.7 Ų | 141.7 | 67% | 0.671 | 81% | 0.811 | S | S | * | * | cis | -167.7 | 152.9 | 31.8 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 430 | D | 30.9 | Very low | 31 | Very low | 152 Ų | 152 | 144.1 Ų | 144.1 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | 159.1 | 118.9 | 121.4 | -80.9 | -7.5 | 0 | 0 | 0 | 111.6 | |||||
| 431 | T | 27.4 | Very low | 31.5 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -67 | 131.8 | 176.8 | 43.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 432 | N | 31.7 | Very low | 32.1 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | trans | -150.7 | 135.6 | 137.1 | -135.1 | -13.2 | 0 | 0 | 0 | 113.8 | ||||
| 433 | N | 28.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 135.2 Ų | 135.2 | 87% | 0.872 | 77% | 0.769 | S | S | * | * | trans | -66.1 | 136.1 | -173.9 | -82.2 | -41.6 | 0 | 0 | 0 | 113.1 | ||||
| 434 | G | 30.7 | Very low | 33 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | -148.2 | 102.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 435 | Q | 30.6 | Very low | 33.5 | Very low | 168 Ų | 168 | 136.7 Ų | 136.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -65.7 | 144.3 | -177.7 | -69.9 | 172.7 | -38.4 | 0 | 0 | 112.9 | V437 | Q435-V437 HydrophobicContact CB-CG2 4.02Å; Q435-V437 PolarHBondContact O-N 3.46Å | ||
| 436 | P | 30.1 | Very low | 34.3 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 88% | 0.877 | 74% | 0.74 | S | S | * | * | trans | -85.4 | 93.6 | 170.8 | 32.6 | -28.6 | 0 | 0 | 0 | 110.2 | ||||
| 437 | V | 32.4 | Very low | 35.2 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 66% | 0.661 | 74% | 0.74 | S | S | * | * | trans | -108.7 | 89.6 | 175.7 | -172.3 | 0 | 0 | 0 | 0 | 109.2 | Q435 | Q435-V437 HydrophobicContact CB-CG2 4.02Å; Q435-V437 PolarHBondContact O-N 3.46Å | ||
| 438 | Q | 42.3 | Very low | 36.4 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -165.7 | -18.6 | 160.8 | -108.8 | 163 | 37.2 | 0 | 0 | 114.4 | H440 | Q438-H440 PolarHBondContact O-N 3.17Š|
| 439 | H | 40.2 | Very low | 37.6 | Very low | 177 Ų | 177 | 136 Ų | 136 | 82% | 0.819 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -77.3 | -18.5 | -174.8 | -107.3 | -78.4 | 0 | 0 | 0 | 116.3 | ||
| 440 | H | 38.3 | Very low | 38.8 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 75% | 0.75 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -92.8 | -18.6 | -169 | -141 | 59 | 0 | 0 | 0 | 115.1 | Q438 | Q438-H440 PolarHBondContact O-N 3.17Å |
| 441 | Q | 38 | Very low | 39.8 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -84.8 | -30.5 | 178.5 | -70.5 | -176.7 | -3.4 | 0 | 0 | 112.9 | A443 K444 | Q441-A443 PolarHBondContact O-N 3.19Å; Q441-K444 PolarHBondContact O-N 3.42Å |
| 442 | L | 40.4 | Very low | 41 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 50% | 0.497 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -66.9 | -37 | -178.3 | -155.7 | 71 | 0 | 0 | 0 | 112.8 | K444 H445 L446 | L442-K444 PolarHBondContact O-N 3.01Å; L442-H445 PolarHBondContact O-N 2.91Å; L442-L446 WeakPolarHBondContact O-CG 3.36Å; L442-L446 PolarHBondContact O-N 3.41Å |
| 443 | A | 38 | Very low | 42 | Very low | 56 Ų | 56 | 137.9 Ų | 137.9 | 46% | 0.463 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -67.1 | -32.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q441 | Q441-A443 PolarHBondContact O-N 3.19Å |
| 444 | K | 40.8 | Very low | 43.2 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 69% | 0.691 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.2 | -32.2 | 176.8 | -80.9 | -177.9 | 177.6 | 175.9 | 0 | 112 | Q441 L442 | Q441-K444 PolarHBondContact O-N 3.42Å; L442-K444 PolarHBondContact O-N 3.01Å |
| 445 | H | 44.3 | Very low | 44.4 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 48% | 0.477 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -72.8 | -38 | 179.9 | -150.4 | 87.9 | 0 | 0 | 0 | 112.2 | L442 K447 R448 K449 | L442-H445 PolarHBondContact O-N 2.91Å; H445-K447 PolarHBondContact O-N 3.48Å; H445-R448 PolarHBondContact O-N 3.04Å; H445-K449 VanDerWaalsContact NE2-CE 3.33Å; H445-K449 WeakPolarHBondContact NE2-CE 3.33Å; H445-K449 PolarHBondContact O-N 3.3Å; H445-K449 VanDerWaalsContact O-N 3.14Å |
| 446 | L | 46.2 | Very low | 45.5 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 45% | 0.445 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -62.6 | -36.1 | 177.4 | -73.1 | 164.8 | 0 | 0 | 0 | 113.6 | L442 K450 | L442-L446 WeakPolarHBondContact O-CG 3.36Å; L442-L446 PolarHBondContact O-N 3.41Å; L446-K450 PolarHBondContact O-N 3.49Å |
| 447 | K | 47.1 | Very low | 46.6 | Very low | 177 Ų | 177 | 144.6 Ų | 144.6 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67.9 | -34.1 | 175.9 | -77.3 | -174.8 | 177.9 | -179.8 | 0 | 112.7 | H445 | H445-K447 PolarHBondContact O-N 3.48Å |
| 448 | R | 50 | Low | 47.5 | Very low | 203 Ų | 203 | 144.9 Ų | 144.9 | 77% | 0.766 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.3 | -42 | 177.9 | -82.9 | -178.6 | 162.3 | 176.8 | -5.2 | 112.2 | H445 K451 Q452 | H445-R448 PolarHBondContact O-N 3.04Å; R448-K451 PolarHBondContact O-N 3.24Å; R448-Q452 PolarHBondContact O-N 3.32Å |
| 449 | K | 53.3 | Low | 47.9 | Very low | 92 Ų | 92 | 142.4 Ų | 142.4 | 40% | 0.4 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.2 | -36.6 | 179.6 | -78.9 | -173.4 | 172.7 | 173.1 | 0 | 113.5 | H445 K451 Q452 R453 | H445-K449 VanDerWaalsContact NE2-CE 3.33Å; H445-K449 WeakPolarHBondContact NE2-CE 3.33Å; H445-K449 PolarHBondContact O-N 3.3Å; H445-K449 VanDerWaalsContact O-N 3.14Å; K449-K451 PolarHBondContact O-N 3.31Å; K449-Q452 PolarHBondContact O-N 3.19Å; K449-Q452 VanDerWaalsContact O-N 3.12Å; K449-R453 PolarHBondContact O-N 3.22Å |
| 450 | K | 53.5 | Low | 48.4 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 73% | 0.726 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -58.7 | -32.7 | 172.9 | -88.1 | -174 | 176.3 | 179.2 | 0 | 113.3 | L446 K454 | L446-K450 PolarHBondContact O-N 3.49Å; K450-K454 PolarHBondContact O-N 3.21Å |
| 451 | K | 52.6 | Low | 49.1 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 70% | 0.7 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -74.1 | -30.5 | 178.5 | -148.2 | 174.7 | -175.8 | -179.6 | 0 | 112.2 | R448 K449 | R448-K451 PolarHBondContact O-N 3.24Å; K449-K451 PolarHBondContact O-N 3.31Å |
| 452 | Q | 51.9 | Low | 49.5 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.3 | -39 | 175.5 | -75 | -179.3 | -7.6 | 0 | 0 | 113 | R448 K449 K454 R455 K456 | R448-Q452 PolarHBondContact O-N 3.32Å; K449-Q452 PolarHBondContact O-N 3.19Å; K449-Q452 VanDerWaalsContact O-N 3.12Å; Q452-K454 VanDerWaalsContact C-N 3.35Å; Q452-K454 PolarHBondContact O-N 3.4Å; Q452-R455 PolarHBondContact O-N 3.45Å; Q452-R455 VanDerWaalsContact O-N 3.1Å; Q452-K456 PolarHBondContact O-N 3.1Å |
| 453 | R | 53.1 | Low | 49.4 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 47% | 0.472 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -60.9 | -38.9 | 175.1 | -87.3 | -175.4 | 166.4 | 168.7 | -3.2 | 112.7 | E264 D268 K449 R455 K457 | E264-R453 IonicContact OE2-CZ 3.45Å; E264-R453 IonicContact OE2-NE 2.73Å; E264-R453 IonicContact OE2-NH2 3.72Å; E264-R453 PolarHBondContact OE2-NH2 3.46Å; D268-R453 IonicContact OD2-CZ 2.8Å; D268-R453 IonicContact OD2-NH1 2.95Å; D268-R453 PolarHBondContact OD2-NH1 3.14Å; D268-R453 IonicContact OD2-NH2 3.28Å; D268-R453 PolarHBondContact OD2-NH2 3.46Å; K449-R453 PolarHBondContact O-N 3.22Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R453-R455 PolarHBondContact O-N 3.12Å; R453-K457 PolarHBondContact O-N 3.32Å; R453-K457 VanDerWaalsContact O-N 3.12Å |
| 454 | K | 54.2 | Low | 50 | Low | 162 Ų | 162 | 145.5 Ų | 145.5 | 70% | 0.704 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -63.5 | -36.3 | 172.7 | -81.5 | -170.4 | 173.9 | -171.6 | 0 | 112.9 | K450 Q452 N458 | K450-K454 PolarHBondContact O-N 3.21Å; Q452-K454 VanDerWaalsContact C-N 3.35Å; Q452-K454 PolarHBondContact O-N 3.4Å; K454-N458 PolarHBondContact O-N 3.23Å; K454-N458 PolarHBondContact O-OD1 3.48Å |
| 455 | R | 54.3 | Low | 50.5 | Low | 195 Ų | 195 | 144.8 Ų | 144.8 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.8 | -39.4 | 178.4 | -82.9 | -177.2 | 160.7 | -174.1 | -6.3 | 113 | Q452 R453 L459 | Q452-R455 PolarHBondContact O-N 3.45Å; Q452-R455 VanDerWaalsContact O-N 3.1Å; R453-R455 VanDerWaalsContact C-N 3.34Å; R453-R455 PolarHBondContact O-N 3.12Å; R455-L459 PolarHBondContact O-N 3.34Å |
| 456 | K | 54.7 | Low | 50.8 | Low | 161 Ų | 161 | 147.1 Ų | 147.1 | 70% | 0.7 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.2 | -37.8 | 178.3 | -77.4 | -172.4 | 174.4 | -175.4 | 0 | 113.1 | Q452 N458 L459 N460 | Q452-K456 PolarHBondContact O-N 3.1Å; K456-N458 PolarHBondContact O-N 3.33Å; K456-L459 PolarHBondContact O-N 3.39Å; K456-N460 PolarHBondContact O-N 3.41Å |
| 457 | K | 52.1 | Low | 51.1 | Low | 165 Ų | 165 | 150.8 Ų | 150.8 | 72% | 0.717 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -61.5 | -41.6 | 174.1 | -87.3 | -170.3 | 172.1 | -171.9 | 0 | 112.3 | R453 L459 N460 T461 | R453-K457 PolarHBondContact O-N 3.32Å; R453-K457 VanDerWaalsContact O-N 3.12Å; K457-L459 PolarHBondContact O-N 3.12Å; K457-N460 PolarHBondContact O-N 3.4Å; K457-T461 PolarHBondContact O-N 3.06Å; K457-T461 PolarHBondContact O-OG1 3.1Å; K457-T461 VanDerWaalsContact O-OG1 3.1Å |
| 458 | N | 51.9 | Low | 51.4 | Low | 116 Ų | 116 | 149.1 Ų | 149.1 | 62% | 0.62 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.6 | -22 | 178.3 | -70.2 | 7.1 | 0 | 0 | 0 | 113.6 | K454 K456 | K454-N458 PolarHBondContact O-N 3.23Å; K454-N458 PolarHBondContact O-OD1 3.48Å; K456-N458 PolarHBondContact O-N 3.33Å |
| 459 | L | 51.2 | Low | 51.4 | Low | 127 Ų | 127 | 145.5 Ų | 145.5 | 67% | 0.665 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -81 | -26 | 178.3 | -126.6 | 81.3 | 0 | 0 | 0 | 113.1 | R455 K456 K457 | R455-L459 PolarHBondContact O-N 3.34Å; K456-L459 PolarHBondContact O-N 3.39Å; K457-L459 PolarHBondContact O-N 3.12Å |
| 460 | N | 50.6 | Low | 51.3 | Low | 132 Ų | 132 | 149.4 Ų | 149.4 | 71% | 0.706 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -91.8 | -11.2 | -179.6 | -77.5 | 2.7 | 0 | 0 | 0 | 113.7 | K456 K457 | K456-N460 PolarHBondContact O-N 3.41Å; K457-N460 PolarHBondContact O-N 3.4Å |
| 461 | T | 52.2 | Low | 51.1 | Low | 118 Ų | 118 | 148 Ų | 148 | 72% | 0.724 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -95.4 | 1 | 169.3 | 37.7 | 0 | 0 | 0 | 0 | 113.4 | K457 | K457-T461 PolarHBondContact O-N 3.06Å; K457-T461 PolarHBondContact O-OG1 3.1Å; K457-T461 VanDerWaalsContact O-OG1 3.1Å |
| 462 | A | 48.3 | Very low | 51 | Low | 84 Ų | 84 | 146.9 Ų | 146.9 | 69% | 0.694 | 70% | 0.702 | S | S | * | * | trans | -112.4 | 12.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 463 | K | 37.8 | Very low | 50.9 | Low | 244 Ų | 244 | 148.1 Ų | 148.1 | 100% | 1.061 | 71% | 0.709 | S | S | * | * | trans | -124.7 | 0 | 165 | -74.9 | -173.8 | 175.7 | -174.2 | 0 | 107.1 |
Retrieved 463 of 463 residues in 113.9 ms
(Link to these results)