| 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 | 33.2 | Very low | 33.2 | Very low | 221 Ų | 221 | 156.2 Ų | 156.2 | 100% | 1.089 | 83% | 0.826 | S | S | * | * | 0 | 88.3 | 0 | -152.3 | 179.2 | -162.9 | 0 | 0 | 106.1 | |||||
| 2 | V | 32.9 | Very low | 33.1 | Very low | 124 Ų | 124 | 150.7 Ų | 150.7 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | trans | -95.8 | 105.6 | 177.7 | 179.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 3 | R | 27.7 | Very low | 33.3 | Very low | 196 Ų | 196 | 148.2 Ų | 148.2 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | trans | -75.4 | 121.7 | 172.7 | -75.5 | -175.1 | 175.6 | 177.2 | -1.9 | 107.1 | D5 | R3-D5 PolarHBondContact O-N 3.29Š| ||
| 4 | F | 39.1 | Very low | 33.3 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 84% | 0.842 | 81% | 0.81 | S | S | * | * | trans | -80.8 | 96.3 | 163.2 | -74.5 | -87.4 | 0 | 0 | 0 | 105.4 | ||||
| 5 | D | 38.3 | Very low | 33.2 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | -64.7 | 140 | 169.7 | -72.8 | -28.9 | 0 | 0 | 0 | 109 | R3 M7 | R3-D5 PolarHBondContact O-N 3.29Å; D5-M7 PolarHBondContact O-N 3.14Å; D5-M7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | D | 33.1 | Very low | 33.4 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -40.2 | 106.9 | -179.4 | -60.8 | -56.4 | 0 | 0 | 0 | 113.2 | E8 | D6-E8 PolarHBondContact O-N 3.16Š| ||
| 7 | M | 34.5 | Very low | 33.8 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 95% | 0.946 | 80% | 0.804 | S | S | * | * | trans | -77.3 | 71.1 | 158 | -95.5 | -172.8 | 150.7 | 0 | 0 | 108.8 | D5 N9 | D5-M7 PolarHBondContact O-N 3.14Å; D5-M7 VanDerWaalsContact O-N 3.14Å; M7-N9 PolarHBondContact O-N 3Å; M7-N9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | E | 30.5 | Very low | 34.5 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -71.7 | 87.6 | 149.3 | -77.9 | -170.4 | 158.6 | 0 | 0 | 107.6 | D6 | D6-E8 PolarHBondContact O-N 3.16Š| ||
| 9 | N | 35 | Very low | 35.5 | Very low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -153 | 107.2 | 152.6 | -94.4 | -37.4 | 0 | 0 | 0 | 107 | M7 S11 | M7-N9 PolarHBondContact O-N 3Å; M7-N9 VanDerWaalsContact O-N 3.16Å; N9-S11 VanDerWaalsContact C-N 3.27Å; N9-S11 PolarHBondContact O-N 3.19Å | ||
| 10 | G | 29.4 | Very low | 36.9 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 89% | 0.887 | 76% | 0.763 | S | S | * | * | trans | -57.8 | 89.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | S12 | G10-S12 PolarHBondContact O-N 2.87Š| ||
| 11 | S | 32 | Very low | 38.7 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -75.1 | 107 | 144.1 | 57.3 | 0 | 0 | 0 | 0 | 105.5 | N9 | N9-S11 VanDerWaalsContact C-N 3.27Å; N9-S11 PolarHBondContact O-N 3.19Å | ||
| 12 | S | 31.3 | Very low | 41.2 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | trans | -40.7 | 130.2 | 157.4 | 35.4 | 0 | 0 | 0 | 0 | 108.1 | G10 C14 | G10-S12 PolarHBondContact O-N 2.87Å; S12-C14 PolarHBondContact O-N 2.94Å | ||
| 13 | P | 36.6 | Very low | 44 | Very low | 118 Ų | 118 | 114 Ų | 114 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | trans | -53.5 | 126.6 | 175.2 | 22.3 | -30.3 | 0 | 0 | 0 | 105.9 | T15 | P13-T15 PolarHBondContact O-N 3.08Š| ||
| 14 | C | 32 | Very low | 47 | Very low | 126 Ų | 126 | 105 Ų | 105 | 85% | 0.851 | 64% | 0.642 | S | S | * | * | trans | -37.8 | 109.9 | 180 | -72.5 | 0 | 0 | 0 | 0 | 108.2 | S12 T16 | S12-C14 PolarHBondContact O-N 2.94Å; C14-T16 PolarHBondContact O-N 2.92Å; C14-T16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | T | 32.6 | Very low | 49.4 | Very low | 119 Ų | 119 | 99.5 Ų | 99.5 | 73% | 0.73 | 62% | 0.616 | S | S | * | * | trans | -43.5 | 122.4 | 178.4 | 40.5 | 0 | 0 | 0 | 0 | 107.8 | P13 S17 | P13-T15 PolarHBondContact O-N 3.08Å; T15-S17 VanDerWaalsContact C-N 3.25Å; T15-S17 PolarHBondContact O-N 3.47Å | ||
| 16 | T | 35.9 | Very low | 51.8 | Low | 136 Ų | 136 | 100.1 Ų | 100.1 | 83% | 0.834 | 62% | 0.619 | S | S | * | * | trans | -21.9 | 77.9 | 171.7 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | C14 A18 | C14-T16 PolarHBondContact O-N 2.92Å; C14-T16 VanDerWaalsContact O-N 3.14Å; T16-A18 PolarHBondContact O-N 3.02Å | ||
| 17 | S | 40 | Very low | 54.5 | Low | 109 Ų | 109 | 95.3 Ų | 95.3 | 76% | 0.762 | 60% | 0.595 | S | S | * | * | trans | -72 | 90.5 | 150.4 | 59.5 | 0 | 0 | 0 | 0 | 102.7 | T15 G19 | T15-S17 VanDerWaalsContact C-N 3.25Å; T15-S17 PolarHBondContact O-N 3.47Å; S17-G19 PolarHBondContact O-N 2.78Å | ||
| 18 | A | 47.5 | Very low | 57.1 | Low | 84 Ų | 84 | 87.8 Ų | 87.8 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | trans | -65.6 | 68 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | T16 N20 | T16-A18 PolarHBondContact O-N 3.02Å; A18-N20 PolarHBondContact O-N 3.42Å | ||
| 19 | G | 52.5 | Low | 59.7 | Low | 47 Ų | 47 | 82.2 Ų | 82.2 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | trans | -61.9 | 117.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | S17 G21 | S17-G19 PolarHBondContact O-N 2.78Å; G19-G21 PolarHBondContact O-N 2.92Å | ||
| 20 | N | 63 | Low | 61.8 | Low | 78 Ų | 78 | 81.4 Ų | 81.4 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | trans | -73.5 | 53.8 | 175.5 | -65.3 | -28.5 | 0 | 0 | 0 | 110 | A18 K66 | A18-N20 PolarHBondContact O-N 3.42Å; N20-K66 PolarHBondContact ND2-NZ 2.86Å; N20-K66 VanDerWaalsContact ND2-NZ 3.16Å; N20-K66 PolarHBondContact OD1-NZ 3.23Å | ||
| 21 | G | 75.2 | Confident | 64.3 | Low | 35 Ų | 35 | 86.2 Ų | 86.2 | 36% | 0.361 | 54% | 0.542 | S | S | . | . | trans | -111.6 | 160.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G19 | G19-G21 PolarHBondContact O-N 2.92Š| ||
| 22 | L | 86.8 | Confident | 66.8 | Low | 14 Ų | 14 | 83.5 Ų | 83.5 | 7% | 0.073 | 52% | 0.52 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 114.8 | 162.7 | -74.6 | 173.3 | 0 | 0 | 0 | 107.8 | G24 Y25 V56 A57 F58 V69 L72 I73 | L22-G24 PolarHBondContact O-N 3.15Å; L22-Y25 HydrophobicContact CD1-CD2 4.18Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.29Å; L22-V56 HydrophobicContact CB-CB 4.23Å; L22-V56 HydrophobicContact CD1-CG2 4.14Å; L22-V56 HydrophobicContact CD2-CG2 4.33Å; L22-A57 CarbonylContact C-O 3.56Å; L22-A57 WeakPolarHBondContact CA-O 3.41Å; L22-F58 HydrophobicContact CD2-CD1 3.91Å; L22-F58 HydrophobicContact CD2-CE1 3.85Å; L22-F58 HydrophobicContact CD2-CG 4.47Å; L22-F58 HydrophobicContact CD2-CZ 4.35Å; L22-V69 HydrophobicContact CD1-CG1 4Å; L22-V69 HydrophobicContact CD2-CG1 3.71Å; L22-V69 HydrophobicContact CG-CG1 3.83Å; L22-L72 HydrophobicContact CD1-CB 4.11Å; L22-L72 HydrophobicContact CD1-CD1 4.21Å; L22-I73 HydrophobicContact CD1-CD1 3.95Å; L22-I73 HydrophobicContact CD1-CG1 3.77Å |
| 23 | F | 90.7 | Very high | 69.7 | Low | 66 Ų | 66 | 82.9 Ų | 82.9 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 136 | 171.4 | 174.7 | -88.9 | 0 | 0 | 0 | 109.2 | Y25 E41 A44 M45 V56 A57 | F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 3.32Å; F23-E41 HydrophobicContact CB-CG 3.84Å; F23-E41 HydrophobicContact CD1-CB 3.77Å; F23-E41 HydrophobicContact CD1-CG 3.98Å; F23-E41 HydrophobicContact CD2-CB 4.05Å; F23-E41 HydrophobicContact CD2-CG 3.84Å; F23-E41 HydrophobicContact CE1-CB 3.88Å; F23-E41 WeakPolarHBondContact CE1-O 3.38Å; F23-E41 HydrophobicContact CE2-CB 4.15Å; F23-E41 HydrophobicContact CE2-CG 4.41Å; F23-E41 HydrophobicContact CG-CB 3.87Å; F23-E41 HydrophobicContact CG-CG 3.6Å; F23-E41 HydrophobicContact CZ-CB 4.07Å; F23-A44 HydrophobicContact CD1-CB 3.89Å; F23-A44 HydrophobicContact CE1-CB 4Å; F23-M45 HydrophobicContact CE1-CG 3.82Å; F23-M45 HydrophobicContact CZ-CG 3.77Å; F23-M45 HydrophobicContact CZ-SD 4.08Å; F23-V56 CarbonylContact O-C 3.59Å; F23-V56 WeakPolarHBondContact O-CA 3.46Å; F23-V56 WeakPolarHBondContact O-CB 3.23Å; F23-A57 HydrophobicContact CB-CB 4.25Å; F23-A57 HydrophobicContact CD1-CB 4.34Å; F23-A57 PolarHBondContact N-O 3.37Å; F23-A57 PolarHBondContact O-N 3.09Å |
| 24 | G | 91.3 | Very high | 72.4 | Confident | 7 Ų | 7 | 79.2 Ų | 79.2 | 7% | 0.072 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | L22 N26 T27 | L22-G24 PolarHBondContact O-N 3.15Å; G24-N26 WeakPolarHBondContact CA-OD1 3.44Å; G24-N26 PolarHBondContact O-N 3.38Å; G24-T27 WeakPolarHBondContact O-CB 3.24Å; G24-T27 WeakPolarHBondContact O-CG2 3.25Å; G24-T27 PolarHBondContact O-N 3.07Å; G24-T27 PolarHBondContact O-OG1 3.33Å |
| 25 | Y | 89.5 | Confident | 75.4 | Confident | 76 Ų | 76 | 73.2 Ų | 73.2 | 30% | 0.298 | 44% | 0.444 | S | S | . | . | G | 310 helix | trans | -62.5 | -25.2 | 179.6 | -169.2 | -97.7 | 0 | 0 | 0 | 113.4 | L22 F23 T27 V28 V56 L72 F76 | L22-Y25 HydrophobicContact CD1-CD2 4.18Å; L22-Y25 WeakPolarHBondContact O-CB 3.49Å; L22-Y25 PolarHBondContact O-N 3.29Å; F23-Y25 VanDerWaalsContact C-N 3.31Å; F23-Y25 PolarHBondContact O-N 3.32Å; Y25-T27 PolarHBondContact O-N 3.38Å; Y25-T27 VanDerWaalsContact O-N 3.12Å; Y25-V28 HydrophobicContact CD2-CB 4.47Å; Y25-V28 HydrophobicContact CD2-CG2 3.84Å; Y25-V28 HydrophobicContact CE2-CB 4.38Å; Y25-V28 HydrophobicContact CE2-CG1 4.45Å; Y25-V28 HydrophobicContact CE2-CG2 4.04Å; Y25-V28 HydrophobicContact CG-CG2 4.34Å; Y25-V28 VanDerWaalsContact O-CB 3.23Å; Y25-V28 WeakPolarHBondContact O-CB 3.22Å; Y25-V28 WeakPolarHBondContact O-CG2 3.39Å; Y25-V28 PolarHBondContact O-N 3.3Å; Y25-V56 HydrophobicContact CD2-CG1 4.34Å; Y25-L72 HydrophobicContact CD1-CD1 4.41Å; Y25-L72 HydrophobicContact CD2-CB 4.24Å; Y25-L72 HydrophobicContact CD2-CD1 4.45Å; Y25-L72 HydrophobicContact CE1-CD1 4.4Å; Y25-L72 HydrophobicContact CE1-CD2 3.84Å; Y25-L72 HydrophobicContact CE1-CG 4.49Å; Y25-L72 HydrophobicContact CE2-CB 3.64Å; Y25-L72 HydrophobicContact CE2-CD1 4.46Å; Y25-L72 HydrophobicContact CE2-CD2 4.4Å; Y25-L72 HydrophobicContact CE2-CG 4.37Å; Y25-L72 HydrophobicContact CG-CD1 4.44Å; Y25-F76 HydrophobicContact CE2-CE2 4.49Å |
| 26 | N | 89 | Confident | 78.4 | Confident | 145 Ų | 145 | 67.6 Ų | 67.6 | 78% | 0.775 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -61.4 | -15.8 | 171.9 | 63.6 | -68.1 | 0 | 0 | 0 | 114 | G24 V28 | G24-N26 WeakPolarHBondContact CA-OD1 3.44Å; G24-N26 PolarHBondContact O-N 3.38Å; N26-V28 VanDerWaalsContact C-N 3.33Å |
| 27 | T | 88.8 | Confident | 81.2 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 29% | 0.294 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -83.9 | -10.3 | 174.2 | 69.7 | 0 | 0 | 0 | 0 | 113 | G24 Y25 S29 | G24-T27 WeakPolarHBondContact O-CB 3.24Å; G24-T27 WeakPolarHBondContact O-CG2 3.25Å; G24-T27 PolarHBondContact O-N 3.07Å; G24-T27 PolarHBondContact O-OG1 3.33Å; Y25-T27 PolarHBondContact O-N 3.38Å; Y25-T27 VanDerWaalsContact O-N 3.12Å; T27-S29 PolarHBondContact O-N 2.99Å |
| 28 | V | 88.9 | Confident | 83.7 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 33% | 0.333 | C | S | . | . | trans | -76 | 122.6 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | Y25 N26 P54 V56 F76 | Y25-V28 HydrophobicContact CD2-CB 4.47Å; Y25-V28 HydrophobicContact CD2-CG2 3.84Å; Y25-V28 HydrophobicContact CE2-CB 4.38Å; Y25-V28 HydrophobicContact CE2-CG1 4.45Å; Y25-V28 HydrophobicContact CE2-CG2 4.04Å; Y25-V28 HydrophobicContact CG-CG2 4.34Å; Y25-V28 VanDerWaalsContact O-CB 3.23Å; Y25-V28 WeakPolarHBondContact O-CB 3.22Å; Y25-V28 WeakPolarHBondContact O-CG2 3.39Å; Y25-V28 PolarHBondContact O-N 3.3Å; N26-V28 VanDerWaalsContact C-N 3.33Å; V28-P54 HydrophobicContact CG2-CB 3.8Å; V28-V56 HydrophobicContact CG2-CG1 4.29Å; V28-F76 HydrophobicContact CB-CZ 4.34Å; V28-F76 HydrophobicContact CG1-CE1 4Å; V28-F76 HydrophobicContact CG1-CZ 3.48Å; V28-F76 VanDerWaalsContact CG1-CZ 3.48Å; V28-F76 HydrophobicContact CG2-CZ 3.86Å | ||
| 29 | S | 86.4 | Confident | 85.7 | Confident | 56 Ų | 56 | 53.5 Ų | 53.5 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | trans | -99.6 | 159.6 | 166.9 | 80.5 | 0 | 0 | 0 | 0 | 110.9 | T27 K31 N32 | T27-S29 PolarHBondContact O-N 2.99Å; S29-K31 PolarHBondContact O-N 3.29Å; S29-K31 PolarHBondContact OG-N 2.93Å; S29-N32 WeakPolarHBondContact CA-OD1 3.49Å; S29-N32 WeakPolarHBondContact CB-OD1 3.3Å; S29-N32 PolarHBondContact N-OD1 3.49Å; S29-N32 PolarHBondContact O-N 3.46Å; S29-N32 PolarHBondContact O-OD1 3Å; S29-N32 PolarHBondContact OG-OD1 3.47Å | ||
| 30 | S | 78.8 | Confident | 87.5 | Confident | 131 Ų | 131 | 54.1 Ų | 54.1 | 92% | 0.916 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -12.3 | 176.1 | 55.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 31 | K | 81.3 | Confident | 88.9 | Confident | 187 Ų | 187 | 54.5 Ų | 54.5 | 81% | 0.813 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -9.3 | 177 | -62.3 | -174.7 | 179.9 | -180 | 0 | 113.4 | S29 D33 | S29-K31 PolarHBondContact O-N 3.29Å; S29-K31 PolarHBondContact OG-N 2.93Å; K31-D33 PolarHBondContact O-N 3.43Å |
| 32 | N | 85.3 | Confident | 89.7 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 32% | 0.318 | S | S | . | . | trans | -82.1 | 113.1 | -175.9 | -67.5 | 106.3 | 0 | 0 | 0 | 111 | S29 P54 F76 | S29-N32 WeakPolarHBondContact CA-OD1 3.49Å; S29-N32 WeakPolarHBondContact CB-OD1 3.3Å; S29-N32 PolarHBondContact N-OD1 3.49Å; S29-N32 PolarHBondContact O-N 3.46Å; S29-N32 PolarHBondContact O-OD1 3Å; S29-N32 PolarHBondContact OG-OD1 3.47Å; N32-P54 HydrophobicContact CB-CG 3.89Å; N32-F76 HydrophobicContact CB-CE1 4.08Å; N32-F76 VanDerWaalsContact O-CD1 3.24Å; N32-F76 WeakPolarHBondContact O-CD1 3.25Å; N32-F76 VanDerWaalsContact O-CE1 3.29Å; N32-F76 WeakPolarHBondContact O-CE1 3.36Å | ||
| 33 | D | 91.2 | Very high | 90 | Very high | 77 Ų | 77 | 61.7 Ų | 61.7 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | trans | -89.2 | -11.8 | 173.2 | -80.3 | -41.1 | 0 | 0 | 0 | 113.5 | K31 R77 K78 | K31-D33 PolarHBondContact O-N 3.43Å; D33-R77 HydrophobicContact CB-CB 4.33Å; D33-R77 HydrophobicContact CB-CG 4.36Å; D33-R77 PolarHBondContact O-N 3.45Å; D33-R77 IonicContact OD1-NE 3.44Å; D33-R77 PolarHBondContact OD1-NE 3.26Å; D33-R77 IonicContact OD2-NE 3.49Å; D33-K78 PolarHBondContact O-N 2.92Å | ||
| 34 | V | 94.3 | Very high | 90.2 | Very high | 41 Ų | 41 | 58.6 Ų | 58.6 | 25% | 0.248 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.1 | -175.2 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | P54 K78 I80 | V34-P54 WeakPolarHBondContact O-CG 3.42Å; V34-K78 VanDerWaalsContact CA-O 3.28Å; V34-K78 WeakPolarHBondContact CA-O 3.22Å; V34-K78 HydrophobicContact CB-CB 4.42Å; V34-K78 HydrophobicContact CG1-CB 4.19Å; V34-K78 HydrophobicContact CG1-CD 4.17Å; V34-K78 HydrophobicContact CG1-CG 4.1Å; V34-K78 HydrophobicContact CG2-CB 4.07Å; V34-K78 HydrophobicContact CG2-CD 4.33Å; V34-I80 HydrophobicContact CG1-CD1 3.86Å; V34-I80 HydrophobicContact CG1-CG1 4.31Å |
| 35 | V | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 145.1 | 171.6 | 67.3 | 0 | 0 | 0 | 0 | 110.8 | V56 F76 K78 V79 I80 | V35-V56 HydrophobicContact CG2-CG1 4.16Å; V35-V56 HydrophobicContact CG2-CG2 3.94Å; V35-F76 HydrophobicContact CB-CD1 3.83Å; V35-F76 HydrophobicContact CB-CD2 3.89Å; V35-F76 HydrophobicContact CB-CE1 3.78Å; V35-F76 HydrophobicContact CB-CE2 3.85Å; V35-F76 HydrophobicContact CB-CG 3.87Å; V35-F76 HydrophobicContact CB-CZ 3.77Å; V35-F76 HydrophobicContact CG1-CB 3.98Å; V35-F76 HydrophobicContact CG1-CD1 4.05Å; V35-F76 HydrophobicContact CG1-CD2 3.46Å; V35-F76 VanDerWaalsContact CG1-CD2 3.46Å; V35-F76 HydrophobicContact CG1-CE1 4.39Å; V35-F76 HydrophobicContact CG1-CE2 3.86Å; V35-F76 HydrophobicContact CG1-CG 3.55Å; V35-F76 HydrophobicContact CG1-CZ 4.28Å; V35-F76 HydrophobicContact CG2-CE2 4.16Å; V35-F76 HydrophobicContact CG2-CZ 4.09Å; V35-K78 PolarHBondContact N-O 2.87Å; V35-V79 HydrophobicContact CG1-CB 4.38Å; V35-V79 HydrophobicContact CG1-CG1 4.18Å; V35-V79 HydrophobicContact CG1-CG2 4.06Å; V35-I80 PolarHBondContact O-N 3.18Å |
| 36 | V | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.3 | 171.4 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | V38 V47 L53 P54 V55 V56 I80 W82 L134 | V36-V38 HydrophobicContact CG1-CG1 4.28Å; V36-V47 HydrophobicContact CG1-CG1 4.38Å; V36-L53 HydrophobicContact CG2-CD1 4.25Å; V36-P54 PolarHBondContact N-O 3.41Å; V36-V55 HydrophobicContact CB-CB 4.38Å; V36-V55 HydrophobicContact CB-CG1 4.11Å; V36-V55 HydrophobicContact CB-CG2 3.97Å; V36-V55 HydrophobicContact CG1-CG1 4.31Å; V36-V55 HydrophobicContact CG2-CG2 4.33Å; V36-V55 CarbonylContact O-C 3.48Å; V36-V55 WeakPolarHBondContact O-CA 3.35Å; V36-V56 PolarHBondContact O-N 3.39Å; V36-I80 CarbonylContact C-O 3.59Å; V36-I80 VanDerWaalsContact CA-O 3.31Å; V36-I80 WeakPolarHBondContact CA-O 3.37Å; V36-I80 HydrophobicContact CG2-CB 4.3Å; V36-I80 HydrophobicContact CG2-CD1 4.43Å; V36-W82 HydrophobicContact CG1-CB 4.28Å; V36-W82 HydrophobicContact CG1-CE3 4.42Å; V36-L134 HydrophobicContact CG1-CD2 4.39Å; V36-L134 HydrophobicContact CG2-CD2 3.75Å |
| 37 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.8 | 175.7 | -70.6 | 167.7 | 0 | 0 | 0 | 109.9 | V56 F58 I73 V79 I80 F81 W82 F83 | L37-V56 WeakPolarHBondContact CA-O 3.39Å; L37-V56 HydrophobicContact CD2-CG2 3.26Å; L37-V56 HydrophobicContact CG-CG2 4.36Å; L37-F58 HydrophobicContact CD2-CE2 4.03Å; L37-F58 HydrophobicContact CD2-CZ 4.03Å; L37-I73 HydrophobicContact CD1-CD1 4.14Å; L37-I73 HydrophobicContact CD1-CG2 4.26Å; L37-I73 HydrophobicContact CD2-CD1 3.76Å; L37-I73 HydrophobicContact CD2-CG1 4.35Å; L37-V79 HydrophobicContact CD1-CG1 3.34Å; L37-V79 HydrophobicContact CG-CG1 4.11Å; L37-I80 PolarHBondContact N-O 2.93Å; L37-F81 HydrophobicContact CB-CD1 4.08Å; L37-F81 HydrophobicContact CB-CE1 4.49Å; L37-F81 HydrophobicContact CD1-CD1 3.77Å; L37-F81 HydrophobicContact CD1-CE1 3.33Å; L37-F81 HydrophobicContact CD1-CZ 3.98Å; L37-W82 PolarHBondContact O-N 3.05Å; L37-F83 HydrophobicContact CB-CE1 4Å; L37-F83 WeakPolarHBondContact O-CE1 3.25Å |
| 38 | V | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 169.7 | 176.2 | -62.4 | 0 | 0 | 0 | 0 | 110.7 | V36 D43 A44 V55 V56 A57 W82 I116 | V36-V38 HydrophobicContact CG1-CG1 4.28Å; V38-D43 HydrophobicContact CB-CB 4.09Å; V38-D43 HydrophobicContact CG1-CB 4.42Å; V38-D43 HydrophobicContact CG2-CB 4.15Å; V38-A44 HydrophobicContact CG2-CB 3.59Å; V38-V55 HydrophobicContact CG1-CG1 4.01Å; V38-V55 HydrophobicContact CG2-CG1 3.9Å; V38-V56 PolarHBondContact N-O 3.21Å; V38-A57 HydrophobicContact CG2-CB 3.86Å; V38-A57 WeakPolarHBondContact O-CA 3.45Å; V38-W82 HydrophobicContact CG1-CB 4.18Å; V38-I116 HydrophobicContact CG1-CD1 3.92Å |
| 39 | M | 89.1 | Confident | 91.6 | Very high | 34 Ų | 34 | 61 Ų | 61 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -89.7 | -27.3 | -174.9 | -67.9 | -66.7 | -65.1 | 0 | 0 | 113.7 | V63 F83 E87 K90 | M39-V63 HydrophobicContact CE-CG2 3.48Å; M39-V63 VanDerWaalsContact CE-CG2 3.48Å; M39-V63 HydrophobicContact SD-CG2 3.61Å; M39-F83 HydrophobicContact CG-CD1 4.02Å; M39-F83 HydrophobicContact CG-CD2 4.28Å; M39-F83 HydrophobicContact CG-CE1 4.29Å; M39-F83 HydrophobicContact CG-CG 4.03Å; M39-F83 HydrophobicContact SD-CD1 4.16Å; M39-F83 HydrophobicContact SD-CD2 3.63Å; M39-F83 HydrophobicContact SD-CE1 4.03Å; M39-F83 HydrophobicContact SD-CE2 3.49Å; M39-F83 WeakPolarHBondContact SD-CE2 3.26Å; M39-F83 HydrophobicContact SD-CG 3.99Å; M39-F83 HydrophobicContact SD-CZ 3.7Å; M39-E87 HydrophobicContact CE-CG 4.03Å; M39-K90 HydrophobicContact CE-CD 4.42Å |
| 40 | T | 90.3 | Very high | 92 | Very high | 59 Ų | 59 | 62.8 Ų | 62.8 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -127.4 | 151.2 | -174 | 76.8 | 0 | 0 | 0 | 0 | 111.9 | W42 D43 A44 A57 | T40-W42 VanDerWaalsContact C-N 3.27Å; T40-W42 PolarHBondContact O-N 3.3Å; T40-D43 PolarHBondContact O-N 2.98Å; T40-D43 WeakPolarHBondContact OG1-CB 2.99Å; T40-D43 PolarHBondContact OG1-N 3.48Å; T40-D43 PolarHBondContact OG1-OD2 3.1Å; T40-A44 PolarHBondContact O-N 3.28Å; T40-A57 WeakPolarHBondContact O-CB 3.46Å |
| 41 | E | 91.8 | Very high | 92.7 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -36.6 | 179 | -55.8 | -178.8 | 160.9 | 0 | 0 | 111.5 | F23 A44 M45 | F23-E41 HydrophobicContact CB-CG 3.84Å; F23-E41 HydrophobicContact CD1-CB 3.77Å; F23-E41 HydrophobicContact CD1-CG 3.98Å; F23-E41 HydrophobicContact CD2-CB 4.05Å; F23-E41 HydrophobicContact CD2-CG 3.84Å; F23-E41 HydrophobicContact CE1-CB 3.88Å; F23-E41 WeakPolarHBondContact CE1-O 3.38Å; F23-E41 HydrophobicContact CE2-CB 4.15Å; F23-E41 HydrophobicContact CE2-CG 4.41Å; F23-E41 HydrophobicContact CG-CB 3.87Å; F23-E41 HydrophobicContact CG-CG 3.6Å; F23-E41 HydrophobicContact CZ-CB 4.07Å; E41-A44 WeakPolarHBondContact O-CB 3.38Å; E41-A44 PolarHBondContact O-N 3.1Å; E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 2.88Å |
| 42 | W | 92.4 | Very high | 93.2 | Very high | 183 Ų | 183 | 51.4 Ų | 51.4 | 69% | 0.693 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.1 | -44.9 | 175.1 | -71.6 | 104.8 | 0 | 0 | 0 | 112.8 | T40 A44 M45 F46 | T40-W42 VanDerWaalsContact C-N 3.27Å; T40-W42 PolarHBondContact O-N 3.3Å; W42-A44 PolarHBondContact O-N 3.37Å; W42-M45 PolarHBondContact O-N 3.44Å; W42-F46 WeakPolarHBondContact O-CB 3.4Å; W42-F46 PolarHBondContact O-N 2.81Å |
| 43 | D | 93.4 | Very high | 93.6 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 175.8 | -63.1 | -30.8 | 0 | 0 | 0 | 110.6 | V38 T40 F46 V47 I116 | V38-D43 HydrophobicContact CB-CB 4.09Å; V38-D43 HydrophobicContact CG1-CB 4.42Å; V38-D43 HydrophobicContact CG2-CB 4.15Å; T40-D43 PolarHBondContact O-N 2.98Å; T40-D43 WeakPolarHBondContact OG1-CB 2.99Å; T40-D43 PolarHBondContact OG1-N 3.48Å; T40-D43 PolarHBondContact OG1-OD2 3.1Å; D43-F46 PolarHBondContact O-N 3.21Å; D43-V47 WeakPolarHBondContact O-CB 3.31Å; D43-V47 VanDerWaalsContact O-CG2 3.25Å; D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.35Å; D43-I116 HydrophobicContact CB-CB 4.21Å; D43-I116 HydrophobicContact CB-CD1 3.91Å; D43-I116 HydrophobicContact CB-CG2 3.93Å; D43-I116 WeakPolarHBondContact OD1-CB 3.35Å; D43-I116 WeakPolarHBondContact OD1-CG2 3.32Å |
| 44 | A | 94.4 | Very high | 93.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.2 | -48 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F23 V38 T40 E41 W42 F46 H48 V55 A57 | F23-A44 HydrophobicContact CD1-CB 3.89Å; F23-A44 HydrophobicContact CE1-CB 4Å; V38-A44 HydrophobicContact CG2-CB 3.59Å; T40-A44 PolarHBondContact O-N 3.28Å; E41-A44 WeakPolarHBondContact O-CB 3.38Å; E41-A44 PolarHBondContact O-N 3.1Å; W42-A44 PolarHBondContact O-N 3.37Å; A44-F46 PolarHBondContact O-N 3.22Å; A44-H48 WeakPolarHBondContact O-CB 3.29Å; A44-H48 PolarHBondContact O-N 2.91Å; A44-V55 HydrophobicContact CB-CG1 3.92Å; A44-A57 HydrophobicContact CB-CB 3.94Å |
| 45 | M | 95.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 46.1 Ų | 46.1 | 49% | 0.493 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 176.6 | -69.1 | 178.1 | 68.6 | 0 | 0 | 111.5 | F23 E41 W42 H48 Q49 | F23-M45 HydrophobicContact CE1-CG 3.82Å; F23-M45 HydrophobicContact CZ-CG 3.77Å; F23-M45 HydrophobicContact CZ-SD 4.08Å; E41-M45 WeakPolarHBondContact O-CG 3.4Å; E41-M45 PolarHBondContact O-N 2.88Å; W42-M45 PolarHBondContact O-N 3.44Å; M45-H48 PolarHBondContact O-N 2.8Å; M45-Q49 WeakPolarHBondContact O-CB 3.49Å; M45-Q49 PolarHBondContact O-N 3.44Å |
| 46 | F | 95.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 46.2 Ų | 46.2 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -51.4 | -179.5 | 175.9 | -104.3 | 0 | 0 | 0 | 112 | W42 D43 A44 H48 Q49 Q50 I116 Y119 Y120 V130 | W42-F46 WeakPolarHBondContact O-CB 3.4Å; W42-F46 PolarHBondContact O-N 2.81Å; D43-F46 PolarHBondContact O-N 3.21Å; A44-F46 PolarHBondContact O-N 3.22Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 2.84Å; F46-Q49 PolarHBondContact O-N 2.93Å; F46-Q50 HydrophobicContact CD2-CG 4.2Å; F46-Q50 HydrophobicContact CE1-CG 4.28Å; F46-Q50 HydrophobicContact CE2-CG 3.78Å; F46-Q50 HydrophobicContact CZ-CG 3.82Å; F46-Q50 VanDerWaalsContact O-CG 3.26Å; F46-Q50 WeakPolarHBondContact O-CG 3.47Å; F46-Q50 PolarHBondContact O-N 2.91Å; F46-I116 HydrophobicContact CD1-CG2 3.8Å; F46-I116 HydrophobicContact CE1-CG2 4.38Å; F46-Y119 AromaticContact CE1-CD1 3.95Å; F46-Y119 HydrophobicContact CE1-CD1 3.95Å; F46-Y119 HydrophobicContact CE1-CE1 4.08Å; F46-Y119 HydrophobicContact CZ-CD1 4.13Å; F46-Y119 AromaticContact CZ-CE1 3.98Å; F46-Y119 HydrophobicContact CZ-CE1 3.98Å; F46-Y120 HydrophobicContact CB-CD1 4.07Å; F46-Y120 HydrophobicContact CB-CE1 4.34Å; F46-Y120 AromaticContact CD1-CD1 3.73Å; F46-Y120 HydrophobicContact CD1-CD1 3.73Å; F46-Y120 HydrophobicContact CD1-CG 4.4Å; F46-Y120 HydrophobicContact CD2-CD1 4.1Å; F46-Y120 HydrophobicContact CD2-CG 4.13Å; F46-Y120 HydrophobicContact CE1-CD1 4.2Å; F46-Y120 VanDerWaalsContact CE2-CB 3.45Å; F46-Y120 HydrophobicContact CE2-CG 4.31Å; F46-Y120 AromaticContact CG-CD1 3.67Å; F46-Y120 HydrophobicContact CG-CD1 3.67Å; F46-Y120 HydrophobicContact CG-CE1 4.42Å; F46-Y120 HydrophobicContact CG-CG 4.18Å; F46-V130 HydrophobicContact CE1-CG2 3.64Å; F46-V130 HydrophobicContact CZ-CG2 4.06Å |
| 47 | V | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | -178.6 | 177.3 | 0 | 0 | 0 | 0 | 110.7 | V36 D43 Q50 S51 V55 W82 I116 V130 | V36-V47 HydrophobicContact CG1-CG1 4.38Å; D43-V47 WeakPolarHBondContact O-CB 3.31Å; D43-V47 VanDerWaalsContact O-CG2 3.25Å; D43-V47 WeakPolarHBondContact O-CG2 3.46Å; D43-V47 PolarHBondContact O-N 3.35Å; V47-Q50 PolarHBondContact O-N 3.45Å; V47-S51 VanDerWaalsContact O-CB 3.23Å; V47-S51 WeakPolarHBondContact O-CB 3.45Å; V47-S51 PolarHBondContact O-N 3.42Å; V47-S51 PolarHBondContact O-OG 3.21Å; V47-V55 HydrophobicContact CB-CG1 4.23Å; V47-V55 HydrophobicContact CB-CG2 4.02Å; V47-V55 HydrophobicContact CG1-CG1 4.37Å; V47-V55 HydrophobicContact CG1-CG2 3.66Å; V47-W82 HydrophobicContact CG1-CE3 4.21Å; V47-W82 HydrophobicContact CG1-CZ3 4.07Å; V47-W82 HydrophobicContact CG2-CE3 4.23Å; V47-W82 HydrophobicContact CG2-CZ3 4.21Å; V47-I116 HydrophobicContact CG2-CD1 4.24Å; V47-I116 HydrophobicContact CG2-CG2 4.18Å; V47-V130 HydrophobicContact CG1-CG1 3.94Å |
| 48 | H | 96.1 | Very high | 93.1 | Very high | 68 Ų | 68 | 46.4 Ų | 46.4 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63.2 | -48.8 | 177.2 | 178.8 | 66.7 | 0 | 0 | 0 | 110.8 | A44 M45 F46 Q50 S51 G52 L53 V55 | A44-H48 WeakPolarHBondContact O-CB 3.29Å; A44-H48 PolarHBondContact O-N 2.91Å; M45-H48 PolarHBondContact O-N 2.8Å; F46-H48 VanDerWaalsContact C-N 3.31Å; F46-H48 PolarHBondContact O-N 2.84Å; H48-Q50 VanDerWaalsContact C-N 3.28Å; H48-Q50 PolarHBondContact O-N 3.02Å; H48-S51 PolarHBondContact O-N 3.4Å; H48-G52 WeakPolarHBondContact O-CA 3.12Å; H48-G52 PolarHBondContact O-N 2.65Å; H48-L53 PolarHBondContact ND1-O 2.78Å; H48-V55 HydrophobicContact CB-CB 4.18Å; H48-V55 HydrophobicContact CB-CG2 4.03Å |
| 49 | Q | 95.3 | Very high | 92 | Very high | 153 Ų | 153 | 48.4 Ų | 48.4 | 72% | 0.715 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -60.1 | -38.1 | 178.3 | -174.9 | 179 | 3.1 | 0 | 0 | 112.4 | M45 F46 | M45-Q49 WeakPolarHBondContact O-CB 3.49Å; M45-Q49 PolarHBondContact O-N 3.44Å; F46-Q49 PolarHBondContact O-N 2.93Å |
| 50 | Q | 94.2 | Very high | 90.8 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -83 | -25.4 | -177.2 | -65.7 | -62.7 | -49.9 | 0 | 0 | 113.9 | F46 V47 H48 V130 | F46-Q50 HydrophobicContact CD2-CG 4.2Å; F46-Q50 HydrophobicContact CE1-CG 4.28Å; F46-Q50 HydrophobicContact CE2-CG 3.78Å; F46-Q50 HydrophobicContact CZ-CG 3.82Å; F46-Q50 VanDerWaalsContact O-CG 3.26Å; F46-Q50 WeakPolarHBondContact O-CG 3.47Å; F46-Q50 PolarHBondContact O-N 2.91Å; V47-Q50 PolarHBondContact O-N 3.45Å; H48-Q50 VanDerWaalsContact C-N 3.28Å; H48-Q50 PolarHBondContact O-N 3.02Å; Q50-V130 HydrophobicContact CB-CB 3.73Å; Q50-V130 HydrophobicContact CB-CG1 3.96Å; Q50-V130 HydrophobicContact CB-CG2 3.75Å; Q50-V130 HydrophobicContact CG-CG2 4.02Å |
| 51 | S | 93.7 | Very high | 89.4 | Confident | 20 Ų | 20 | 54.7 Ų | 54.7 | 14% | 0.14 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -108.5 | -25.3 | -173.9 | 68.6 | 0 | 0 | 0 | 0 | 114.7 | V47 H48 L53 L134 | V47-S51 VanDerWaalsContact O-CB 3.23Å; V47-S51 WeakPolarHBondContact O-CB 3.45Å; V47-S51 PolarHBondContact O-N 3.42Å; V47-S51 PolarHBondContact O-OG 3.21Å; H48-S51 PolarHBondContact O-N 3.4Å; S51-L53 PolarHBondContact O-N 2.95Å; S51-L53 PolarHBondContact OG-N 2.89Å; S51-L134 VanDerWaalsContact CB-CD1 3.41Å |
| 52 | G | 92.6 | Very high | 87.8 | Confident | 59 Ų | 59 | 53.7 Ų | 53.7 | 61% | 0.608 | 30% | 0.301 | S | S | * | . | trans | 67.8 | 1.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H48 | H48-G52 WeakPolarHBondContact O-CA 3.12Å; H48-G52 PolarHBondContact O-N 2.65Å | ||
| 53 | L | 93.5 | Very high | 86.4 | Confident | 51 Ų | 51 | 45.6 Ų | 45.6 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -82 | 154.8 | 175.9 | -65.9 | -179.5 | 0 | 0 | 0 | 110.7 | V36 H48 S51 V55 L134 | V36-L53 HydrophobicContact CG2-CD1 4.25Å; H48-L53 PolarHBondContact ND1-O 2.78Å; S51-L53 PolarHBondContact O-N 2.95Å; S51-L53 PolarHBondContact OG-N 2.89Å; L53-V55 PolarHBondContact O-N 2.95Å; L53-L134 HydrophobicContact CD1-CD1 4.08Å |
| 54 | P | 94.4 | Very high | 85.1 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | trans | -65.8 | 124.2 | 168.2 | 29.3 | -33.8 | 0 | 0 | 0 | 109.1 | V28 N32 V34 V36 | V28-P54 HydrophobicContact CG2-CB 3.8Å; N32-P54 HydrophobicContact CB-CG 3.89Å; V34-P54 WeakPolarHBondContact O-CG 3.42Å; V36-P54 PolarHBondContact N-O 3.41Å | ||
| 55 | V | 95.7 | Very high | 84 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.6 | 178.9 | -175.2 | 0 | 0 | 0 | 0 | 107 | V36 V38 A44 V47 H48 L53 | V36-V55 HydrophobicContact CB-CB 4.38Å; V36-V55 HydrophobicContact CB-CG1 4.11Å; V36-V55 HydrophobicContact CB-CG2 3.97Å; V36-V55 HydrophobicContact CG1-CG1 4.31Å; V36-V55 HydrophobicContact CG2-CG2 4.33Å; V36-V55 CarbonylContact O-C 3.48Å; V36-V55 WeakPolarHBondContact O-CA 3.35Å; V38-V55 HydrophobicContact CG1-CG1 4.01Å; V38-V55 HydrophobicContact CG2-CG1 3.9Å; A44-V55 HydrophobicContact CB-CG1 3.92Å; V47-V55 HydrophobicContact CB-CG1 4.23Å; V47-V55 HydrophobicContact CB-CG2 4.02Å; V47-V55 HydrophobicContact CG1-CG1 4.37Å; V47-V55 HydrophobicContact CG1-CG2 3.66Å; H48-V55 HydrophobicContact CB-CB 4.18Å; H48-V55 HydrophobicContact CB-CG2 4.03Å; L53-V55 PolarHBondContact O-N 2.95Å |
| 56 | V | 93.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.6 | -178 | -51.6 | 0 | 0 | 0 | 0 | 111.1 | L22 F23 Y25 V28 V35 V36 L37 V38 | L22-V56 HydrophobicContact CB-CB 4.23Å; L22-V56 HydrophobicContact CD1-CG2 4.14Å; L22-V56 HydrophobicContact CD2-CG2 4.33Å; F23-V56 CarbonylContact O-C 3.59Å; F23-V56 WeakPolarHBondContact O-CA 3.46Å; F23-V56 WeakPolarHBondContact O-CB 3.23Å; Y25-V56 HydrophobicContact CD2-CG1 4.34Å; V28-V56 HydrophobicContact CG2-CG1 4.29Å; V35-V56 HydrophobicContact CG2-CG1 4.16Å; V35-V56 HydrophobicContact CG2-CG2 3.94Å; V36-V56 PolarHBondContact O-N 3.39Å; L37-V56 WeakPolarHBondContact CA-O 3.39Å; L37-V56 HydrophobicContact CD2-CG2 3.26Å; L37-V56 HydrophobicContact CG-CG2 4.36Å; V38-V56 PolarHBondContact N-O 3.21Å |
| 57 | A | 91.6 | Very high | 82.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 150.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111 | L22 F23 V38 T40 A44 | L22-A57 CarbonylContact C-O 3.56Å; L22-A57 WeakPolarHBondContact CA-O 3.41Å; F23-A57 HydrophobicContact CB-CB 4.25Å; F23-A57 HydrophobicContact CD1-CB 4.34Å; F23-A57 PolarHBondContact N-O 3.37Å; F23-A57 PolarHBondContact O-N 3.09Å; V38-A57 HydrophobicContact CG2-CB 3.86Å; V38-A57 WeakPolarHBondContact O-CA 3.45Å; T40-A57 WeakPolarHBondContact O-CB 3.46Å; A44-A57 HydrophobicContact CB-CB 3.94Å |
| 58 | F | 84.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.022 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 128.2 | 169.1 | -62.7 | -84.6 | 0 | 0 | 0 | 109 | L22 L37 G60 V63 V69 I73 F83 F94 | L22-F58 HydrophobicContact CD2-CD1 3.91Å; L22-F58 HydrophobicContact CD2-CE1 3.85Å; L22-F58 HydrophobicContact CD2-CG 4.47Å; L22-F58 HydrophobicContact CD2-CZ 4.35Å; L37-F58 HydrophobicContact CD2-CE2 4.03Å; L37-F58 HydrophobicContact CD2-CZ 4.03Å; F58-G60 PolarHBondContact O-N 3.17Å; F58-V63 HydrophobicContact CB-CG2 4.23Å; F58-V63 HydrophobicContact CD1-CG1 4.11Å; F58-V63 HydrophobicContact CD2-CG1 4.17Å; F58-V63 HydrophobicContact CD2-CG2 4.05Å; F58-V63 HydrophobicContact CE1-CG1 4.17Å; F58-V63 HydrophobicContact CE2-CG1 4.26Å; F58-V63 HydrophobicContact CG-CB 4.34Å; F58-V63 HydrophobicContact CG-CG1 4.12Å; F58-V63 HydrophobicContact CG-CG2 4.08Å; F58-V63 HydrophobicContact CZ-CG1 4.25Å; F58-V69 HydrophobicContact CD1-CG1 4.41Å; F58-V69 HydrophobicContact CE1-CG1 3.86Å; F58-I73 HydrophobicContact CZ-CD1 4.28Å; F58-F83 HydrophobicContact CD2-CZ 4.18Å; F58-F83 HydrophobicContact CE2-CE1 4.36Å; F58-F83 AromaticContact CE2-CZ 3.71Å; F58-F83 HydrophobicContact CE2-CZ 3.71Å; F58-F94 HydrophobicContact CD1-CZ 4.37Å; F58-F94 HydrophobicContact CE1-CE1 4.02Å; F58-F94 HydrophobicContact CE1-CE2 4.06Å; F58-F94 AromaticContact CE1-CZ 3.31Å; F58-F94 HydrophobicContact CE1-CZ 3.31Å; F58-F94 AromaticContact CE2-CE2 3.95Å; F58-F94 HydrophobicContact CE2-CE2 3.95Å; F58-F94 HydrophobicContact CE2-CZ 4.03Å; F58-F94 HydrophobicContact CZ-CD2 4.49Å; F58-F94 AromaticContact CZ-CE1 3.84Å; F58-F94 HydrophobicContact CZ-CE1 3.84Å; F58-F94 AromaticContact CZ-CE2 3.46Å; F58-F94 HydrophobicContact CZ-CE2 3.46Å; F58-F94 VanDerWaalsContact CZ-CE2 3.46Å; F58-F94 AromaticContact CZ-CZ 3.1Å; F58-F94 HydrophobicContact CZ-CZ 3.1Å |
| 59 | S | 69.2 | Low | 81.3 | Confident | 42 Ų | 42 | 54.8 Ų | 54.8 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -75.9 | 119 | 173.7 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | ||
| 60 | G | 64.5 | Low | 80.8 | Confident | 58 Ų | 58 | 48.5 Ų | 48.5 | 60% | 0.598 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 94.7 | 176.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | F58 A62 | F58-G60 PolarHBondContact O-N 3.17Å; G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 3.02Å |
| 61 | D | 61 | Low | 80.3 | Confident | 167 Ų | 167 | 46.3 Ų | 46.3 | 89% | 0.893 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -69.3 | -23.9 | -174.3 | -65.9 | -31.2 | 0 | 0 | 0 | 113.5 | ||
| 62 | A | 57.5 | Low | 80 | Confident | 65 Ų | 65 | 48.4 Ų | 48.4 | 54% | 0.537 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -101.4 | 98.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G60 T64 | G60-A62 VanDerWaalsContact C-N 3.27Å; G60-A62 PolarHBondContact O-N 3.02Å; A62-T64 PolarHBondContact O-N 3.3Å; A62-T64 PolarHBondContact O-OG1 3.39Å |
| 63 | V | 63.6 | Low | 79.7 | Confident | 12 Ų | 12 | 45.6 Ų | 45.6 | 7% | 0.073 | 28% | 0.278 | C | S | . | . | trans | -49.4 | 105.1 | 158.7 | 172.8 | 0 | 0 | 0 | 0 | 107.9 | M39 F58 F65 K90 F94 | M39-V63 HydrophobicContact CE-CG2 3.48Å; M39-V63 VanDerWaalsContact CE-CG2 3.48Å; M39-V63 HydrophobicContact SD-CG2 3.61Å; F58-V63 HydrophobicContact CB-CG2 4.23Å; F58-V63 HydrophobicContact CD1-CG1 4.11Å; F58-V63 HydrophobicContact CD2-CG1 4.17Å; F58-V63 HydrophobicContact CD2-CG2 4.05Å; F58-V63 HydrophobicContact CE1-CG1 4.17Å; F58-V63 HydrophobicContact CE2-CG1 4.26Å; F58-V63 HydrophobicContact CG-CB 4.34Å; F58-V63 HydrophobicContact CG-CG1 4.12Å; F58-V63 HydrophobicContact CG-CG2 4.08Å; F58-V63 HydrophobicContact CZ-CG1 4.25Å; V63-F65 HydrophobicContact CG1-CE2 4.35Å; V63-F65 HydrophobicContact CG1-CZ 4.24Å; V63-K90 HydrophobicContact CB-CD 3.81Å; V63-K90 HydrophobicContact CG1-CD 4.24Å; V63-K90 HydrophobicContact CG2-CD 3.74Å; V63-F94 HydrophobicContact CG1-CD2 4.47Å; V63-F94 HydrophobicContact CG1-CE2 3.26Å; V63-F94 HydrophobicContact CG1-CZ 3.53Å | ||
| 64 | T | 66.1 | Low | 79.3 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | trans | -97.2 | 115.8 | -168.1 | 4.8 | 0 | 0 | 0 | 0 | 109.2 | A62 K66 | A62-T64 PolarHBondContact O-N 3.3Å; A62-T64 PolarHBondContact O-OG1 3.39Å; T64-K66 HydrophobicContact CG2-CD 4.11Å; T64-K66 HydrophobicContact CG2-CG 4.03Å; T64-K66 PolarHBondContact O-N 3.05Å | ||
| 65 | F | 71.5 | Confident | 78.9 | Confident | 62 Ų | 62 | 48.4 Ų | 48.4 | 27% | 0.272 | 32% | 0.315 | S | S | . | . | trans | -77.6 | 39.2 | 174.4 | -63 | -83.6 | 0 | 0 | 0 | 112.2 | V63 L70 K90 Q93 F94 I97 | V63-F65 HydrophobicContact CG1-CE2 4.35Å; V63-F65 HydrophobicContact CG1-CZ 4.24Å; F65-L70 WeakPolarHBondContact O-CD1 3.45Å; F65-K90 HydrophobicContact CZ-CB 4.33Å; F65-Q93 HydrophobicContact CD1-CB 4.38Å; F65-Q93 HydrophobicContact CE1-CB 3.52Å; F65-Q93 HydrophobicContact CE2-CB 4.28Å; F65-Q93 HydrophobicContact CZ-CB 3.46Å; F65-Q93 VanDerWaalsContact CZ-CB 3.46Å; F65-Q93 HydrophobicContact CZ-CG 4.31Å; F65-F94 HydrophobicContact CD1-CD1 4Å; F65-F94 AromaticContact CD1-CE1 3.75Å; F65-F94 HydrophobicContact CD1-CE1 3.75Å; F65-F94 HydrophobicContact CD1-CE2 4.33Å; F65-F94 HydrophobicContact CD1-CG 4.34Å; F65-F94 AromaticContact CD1-CZ 3.88Å; F65-F94 HydrophobicContact CD1-CZ 3.88Å; F65-F94 HydrophobicContact CE1-CB 4.41Å; F65-F94 AromaticContact CE1-CD1 3.79Å; F65-F94 HydrophobicContact CE1-CD1 3.79Å; F65-F94 AromaticContact CE1-CD2 3.58Å; F65-F94 HydrophobicContact CE1-CD2 3.58Å; F65-F94 AromaticContact CE1-CE1 3.76Å; F65-F94 HydrophobicContact CE1-CE1 3.76Å; F65-F94 AromaticContact CE1-CE2 3.58Å; F65-F94 HydrophobicContact CE1-CE2 3.58Å; F65-F94 AromaticContact CE1-CG 3.66Å; F65-F94 HydrophobicContact CE1-CG 3.66Å; F65-F94 AromaticContact CE1-CZ 3.61Å; F65-F94 HydrophobicContact CE1-CZ 3.61Å; F65-F94 HydrophobicContact CZ-CD2 4.08Å; F65-F94 AromaticContact CZ-CE2 3.91Å; F65-F94 HydrophobicContact CZ-CE2 3.91Å; F65-F94 HydrophobicContact CZ-CZ 4.21Å; F65-I97 HydrophobicContact CD1-CD1 4Å | ||
| 66 | K | 79.5 | Confident | 78.8 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 33% | 0.326 | 32% | 0.317 | S | S | . | . | trans | -70.8 | 139.5 | -179.6 | -71.5 | -178.3 | 177.3 | -178.7 | 0 | 109.6 | N20 T64 E68 V69 L70 | N20-K66 PolarHBondContact ND2-NZ 2.86Å; N20-K66 VanDerWaalsContact ND2-NZ 3.16Å; N20-K66 PolarHBondContact OD1-NZ 3.23Å; T64-K66 HydrophobicContact CG2-CD 4.11Å; T64-K66 HydrophobicContact CG2-CG 4.03Å; T64-K66 PolarHBondContact O-N 3.05Å; K66-E68 PolarHBondContact O-N 3.14Å; K66-E68 VanDerWaalsContact O-N 3.14Å; K66-V69 PolarHBondContact O-N 2.93Å; K66-V69 VanDerWaalsContact O-N 3.15Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 2.76Å; K66-L70 VanDerWaalsContact O-N 3.08Å | ||
| 67 | P | 80.2 | Confident | 78.7 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 71% | 0.708 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -53.8 | -34.9 | -179.7 | -28.1 | 35.1 | 0 | 0 | 0 | 114.2 | L70 G71 | P67-L70 PolarHBondContact O-N 2.77Å; P67-G71 PolarHBondContact O-N 3.48Å |
| 68 | E | 82.7 | Confident | 78.9 | Confident | 128 Ų | 128 | 60.6 Ų | 60.6 | 60% | 0.598 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.9 | -52.3 | 177.6 | -65.2 | 161.2 | -176.1 | 0 | 0 | 111.7 | K66 L70 G71 L72 | K66-E68 PolarHBondContact O-N 3.14Å; K66-E68 VanDerWaalsContact O-N 3.14Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.8Å; E68-G71 PolarHBondContact O-N 3.24Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.26Å |
| 69 | V | 83 | Confident | 79.4 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111 | L22 F58 K66 G71 L72 I73 | L22-V69 HydrophobicContact CD1-CG1 4Å; L22-V69 HydrophobicContact CD2-CG1 3.71Å; L22-V69 HydrophobicContact CG-CG1 3.83Å; F58-V69 HydrophobicContact CD1-CG1 4.41Å; F58-V69 HydrophobicContact CE1-CG1 3.86Å; K66-V69 PolarHBondContact O-N 2.93Å; K66-V69 VanDerWaalsContact O-N 3.15Å; V69-G71 VanDerWaalsContact C-N 3.3Å; V69-G71 PolarHBondContact O-N 3.05Å; V69-L72 WeakPolarHBondContact O-CB 3.31Å; V69-L72 PolarHBondContact O-N 2.66Å; V69-I73 HydrophobicContact CG1-CD1 4.2Å; V69-I73 PolarHBondContact O-N 3.12Å |
| 70 | L | 84 | Confident | 80.6 | Confident | 21 Ų | 21 | 58.5 Ų | 58.5 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.7 | -38.9 | 176.4 | -68.9 | 166.6 | 0 | 0 | 0 | 111.5 | F65 K66 P67 E68 L72 I73 A74 F94 I97 | F65-L70 WeakPolarHBondContact O-CD1 3.45Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 2.76Å; K66-L70 VanDerWaalsContact O-N 3.08Å; P67-L70 PolarHBondContact O-N 2.77Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.8Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.95Å; L70-I73 PolarHBondContact O-N 3.18Å; L70-A74 VanDerWaalsContact O-CB 3.26Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.27Å; L70-F94 HydrophobicContact CD2-CD1 3.67Å; L70-F94 HydrophobicContact CD2-CE1 3.64Å; L70-I97 HydrophobicContact CD1-CD1 3.9Å; L70-I97 HydrophobicContact CD1-CG2 4.11Å; L70-I97 HydrophobicContact CD2-CD1 4.14Å; L70-I97 HydrophobicContact CD2-CG2 4.05Å |
| 71 | G | 84.6 | Confident | 82 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.5 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | P67 E68 V69 I73 A74 | P67-G71 PolarHBondContact O-N 3.48Å; E68-G71 PolarHBondContact O-N 3.24Å; V69-G71 VanDerWaalsContact C-N 3.3Å; V69-G71 PolarHBondContact O-N 3.05Å; G71-I73 VanDerWaalsContact C-N 3.34Å; G71-I73 PolarHBondContact O-N 3.46Å; G71-A74 PolarHBondContact O-N 3.25Å |
| 72 | L | 86.2 | Confident | 83.6 | Confident | 63 Ų | 63 | 48.5 Ų | 48.5 | 33% | 0.33 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -35 | 176.2 | -62.3 | -179.5 | 0 | 0 | 0 | 112.7 | L22 Y25 E68 V69 L70 | L22-L72 HydrophobicContact CD1-CB 4.11Å; L22-L72 HydrophobicContact CD1-CD1 4.21Å; Y25-L72 HydrophobicContact CD1-CD1 4.41Å; Y25-L72 HydrophobicContact CD2-CB 4.24Å; Y25-L72 HydrophobicContact CD2-CD1 4.45Å; Y25-L72 HydrophobicContact CE1-CD1 4.4Å; Y25-L72 HydrophobicContact CE1-CD2 3.84Å; Y25-L72 HydrophobicContact CE1-CG 4.49Å; Y25-L72 HydrophobicContact CE2-CB 3.64Å; Y25-L72 HydrophobicContact CE2-CD1 4.46Å; Y25-L72 HydrophobicContact CE2-CD2 4.4Å; Y25-L72 HydrophobicContact CE2-CG 4.37Å; Y25-L72 HydrophobicContact CG-CD1 4.44Å; E68-L72 WeakPolarHBondContact O-CG 3.44Å; E68-L72 PolarHBondContact O-N 3.26Å; V69-L72 WeakPolarHBondContact O-CB 3.31Å; V69-L72 PolarHBondContact O-N 2.66Å; L70-L72 VanDerWaalsContact C-N 3.32Å; L70-L72 PolarHBondContact O-N 2.95Å |
| 73 | I | 87.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -86.2 | -24.7 | -179.8 | -59 | 164.6 | 0 | 0 | 0 | 111.3 | L22 L37 F58 V69 L70 G71 G75 F76 V79 L98 | L22-I73 HydrophobicContact CD1-CD1 3.95Å; L22-I73 HydrophobicContact CD1-CG1 3.77Å; L37-I73 HydrophobicContact CD1-CD1 4.14Å; L37-I73 HydrophobicContact CD1-CG2 4.26Å; L37-I73 HydrophobicContact CD2-CD1 3.76Å; L37-I73 HydrophobicContact CD2-CG1 4.35Å; F58-I73 HydrophobicContact CZ-CD1 4.28Å; V69-I73 HydrophobicContact CG1-CD1 4.2Å; V69-I73 PolarHBondContact O-N 3.12Å; L70-I73 PolarHBondContact O-N 3.18Å; G71-I73 VanDerWaalsContact C-N 3.34Å; G71-I73 PolarHBondContact O-N 3.46Å; I73-G75 PolarHBondContact O-N 3.2Å; I73-G75 VanDerWaalsContact O-N 3.09Å; I73-F76 WeakPolarHBondContact O-CD2 3.43Å; I73-F76 PolarHBondContact O-N 3.27Å; I73-V79 HydrophobicContact CG2-CG1 4.09Å; I73-V79 HydrophobicContact CG2-CG2 3.95Å; I73-L98 HydrophobicContact CG2-CD1 3.78Å; I73-L98 HydrophobicContact CG2-CD2 4.13Å |
| 74 | A | 85.2 | Confident | 86.4 | Confident | 46 Ų | 46 | 46.9 Ų | 46.9 | 38% | 0.38 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L70 G71 R102 | L70-A74 VanDerWaalsContact O-CB 3.26Å; L70-A74 WeakPolarHBondContact O-CB 3.45Å; L70-A74 PolarHBondContact O-N 3.27Å; G71-A74 PolarHBondContact O-N 3.25Å; A74-R102 PolarHBondContact O-NH1 2.97Å |
| 75 | G | 86.6 | Confident | 87.4 | Confident | 66 Ų | 66 | 49.5 Ų | 49.5 | 68% | 0.68 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -18.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115 | I73 | I73-G75 PolarHBondContact O-N 3.2Å; I73-G75 VanDerWaalsContact O-N 3.09Å |
| 76 | F | 92 | Very high | 88.1 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.044 | 30% | 0.297 | C | S | . | . | trans | -81.8 | 138.6 | -175.1 | -64 | -81.2 | 0 | 0 | 0 | 112.6 | Y25 V28 N32 V35 I73 V79 R102 | Y25-F76 HydrophobicContact CE2-CE2 4.49Å; V28-F76 HydrophobicContact CB-CZ 4.34Å; V28-F76 HydrophobicContact CG1-CE1 4Å; V28-F76 HydrophobicContact CG1-CZ 3.48Å; V28-F76 VanDerWaalsContact CG1-CZ 3.48Å; V28-F76 HydrophobicContact CG2-CZ 3.86Å; N32-F76 HydrophobicContact CB-CE1 4.08Å; N32-F76 VanDerWaalsContact O-CD1 3.24Å; N32-F76 WeakPolarHBondContact O-CD1 3.25Å; N32-F76 VanDerWaalsContact O-CE1 3.29Å; N32-F76 WeakPolarHBondContact O-CE1 3.36Å; V35-F76 HydrophobicContact CB-CD1 3.83Å; V35-F76 HydrophobicContact CB-CD2 3.89Å; V35-F76 HydrophobicContact CB-CE1 3.78Å; V35-F76 HydrophobicContact CB-CE2 3.85Å; V35-F76 HydrophobicContact CB-CG 3.87Å; V35-F76 HydrophobicContact CB-CZ 3.77Å; V35-F76 HydrophobicContact CG1-CB 3.98Å; V35-F76 HydrophobicContact CG1-CD1 4.05Å; V35-F76 HydrophobicContact CG1-CD2 3.46Å; V35-F76 VanDerWaalsContact CG1-CD2 3.46Å; V35-F76 HydrophobicContact CG1-CE1 4.39Å; V35-F76 HydrophobicContact CG1-CE2 3.86Å; V35-F76 HydrophobicContact CG1-CG 3.55Å; V35-F76 HydrophobicContact CG1-CZ 4.28Å; V35-F76 HydrophobicContact CG2-CE2 4.16Å; V35-F76 HydrophobicContact CG2-CZ 4.09Å; I73-F76 WeakPolarHBondContact O-CD2 3.43Å; I73-F76 PolarHBondContact O-N 3.27Å; F76-V79 HydrophobicContact CB-CG2 4Å; F76-R102 WeakPolarHBondContact O-CD 3.23Å; F76-R102 PolarHBondContact O-NH1 3.04Å | ||
| 77 | R | 92.8 | Very high | 88.5 | Confident | 189 Ų | 189 | 50.6 Ų | 50.6 | 71% | 0.713 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -76 | -28.4 | 173.6 | -62.2 | -175.2 | -170.3 | -157.9 | -3.2 | 112.5 | D33 R102 | D33-R77 HydrophobicContact CB-CB 4.33Å; D33-R77 HydrophobicContact CB-CG 4.36Å; D33-R77 PolarHBondContact O-N 3.45Å; D33-R77 IonicContact OD1-NE 3.44Å; D33-R77 PolarHBondContact OD1-NE 3.26Å; D33-R77 IonicContact OD2-NE 3.49Å; R77-R102 WeakPolarHBondContact O-CB 3.45Å |
| 78 | K | 94.5 | Very high | 88.8 | Confident | 61 Ų | 61 | 48.1 Ų | 48.1 | 27% | 0.265 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 118.8 | -179.9 | -176.2 | 172.1 | -174.9 | -178.8 | 0 | 110.5 | D33 V34 V35 I80 Y104 C137 | D33-K78 PolarHBondContact O-N 2.92Å; V34-K78 VanDerWaalsContact CA-O 3.28Å; V34-K78 WeakPolarHBondContact CA-O 3.22Å; V34-K78 HydrophobicContact CB-CB 4.42Å; V34-K78 HydrophobicContact CG1-CB 4.19Å; V34-K78 HydrophobicContact CG1-CD 4.17Å; V34-K78 HydrophobicContact CG1-CG 4.1Å; V34-K78 HydrophobicContact CG2-CB 4.07Å; V34-K78 HydrophobicContact CG2-CD 4.33Å; V35-K78 PolarHBondContact N-O 2.87Å; K78-I80 HydrophobicContact CG-CG1 4.2Å; K78-Y104 HydrophobicContact CB-CE2 4.45Å; K78-Y104 HydrophobicContact CD-CD2 4.16Å; K78-Y104 HydrophobicContact CD-CE2 4.04Å; K78-Y104 HydrophobicContact CG-CD2 3.55Å; K78-Y104 HydrophobicContact CG-CE2 3.62Å; K78-Y104 HydrophobicContact CG-CG 4.31Å; K78-C137 PolarHBondContact NZ-SG 3.41Å |
| 79 | V | 94.5 | Very high | 89 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 116.2 | 179.8 | -177.9 | 0 | 0 | 0 | 0 | 108.2 | V35 L37 I73 F76 F81 L98 R102 Y104 | V35-V79 HydrophobicContact CG1-CB 4.38Å; V35-V79 HydrophobicContact CG1-CG1 4.18Å; V35-V79 HydrophobicContact CG1-CG2 4.06Å; L37-V79 HydrophobicContact CD1-CG1 3.34Å; L37-V79 HydrophobicContact CG-CG1 4.11Å; I73-V79 HydrophobicContact CG2-CG1 4.09Å; I73-V79 HydrophobicContact CG2-CG2 3.95Å; F76-V79 HydrophobicContact CB-CG2 4Å; V79-F81 HydrophobicContact CB-CE2 4.49Å; V79-F81 HydrophobicContact CG1-CE1 4.26Å; V79-F81 HydrophobicContact CG1-CE2 3.94Å; V79-F81 HydrophobicContact CG1-CZ 3.77Å; V79-L98 HydrophobicContact CG1-CD1 4.2Å; V79-L98 HydrophobicContact CG2-CD1 4.38Å; V79-R102 PolarHBondContact N-O 2.96Å; V79-Y104 PolarHBondContact O-N 3.45Å |
| 80 | I | 95.5 | Very high | 89.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.015 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 111.7 | -177.3 | -53.8 | 175.5 | 0 | 0 | 0 | 109.1 | V34 V35 V36 L37 K78 Y104 I106 L134 C137 | V34-I80 HydrophobicContact CG1-CD1 3.86Å; V34-I80 HydrophobicContact CG1-CG1 4.31Å; V35-I80 PolarHBondContact O-N 3.18Å; V36-I80 CarbonylContact C-O 3.59Å; V36-I80 VanDerWaalsContact CA-O 3.31Å; V36-I80 WeakPolarHBondContact CA-O 3.37Å; V36-I80 HydrophobicContact CG2-CB 4.3Å; V36-I80 HydrophobicContact CG2-CD1 4.43Å; L37-I80 PolarHBondContact N-O 2.93Å; K78-I80 HydrophobicContact CG-CG1 4.2Å; I80-Y104 CarbonylContact C-O 3.58Å; I80-Y104 WeakPolarHBondContact CA-O 3.3Å; I80-I106 HydrophobicContact CG2-CD1 4.01Å; I80-I106 HydrophobicContact CG2-CG1 3.77Å; I80-L134 HydrophobicContact CD1-CD2 4.22Å; I80-L134 HydrophobicContact CG2-CD2 4.27Å; I80-C137 HydrophobicContact CG2-CB 4.08Å |
| 81 | F | 94.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.7 | 173.6 | -59.2 | -84.9 | 0 | 0 | 0 | 110.1 | L37 V79 F83 V91 F94 L98 Y104 Y105 I106 | L37-F81 HydrophobicContact CB-CD1 4.08Å; L37-F81 HydrophobicContact CB-CE1 4.49Å; L37-F81 HydrophobicContact CD1-CD1 3.77Å; L37-F81 HydrophobicContact CD1-CE1 3.33Å; L37-F81 HydrophobicContact CD1-CZ 3.98Å; V79-F81 HydrophobicContact CB-CE2 4.49Å; V79-F81 HydrophobicContact CG1-CE1 4.26Å; V79-F81 HydrophobicContact CG1-CE2 3.94Å; V79-F81 HydrophobicContact CG1-CZ 3.77Å; F81-F83 HydrophobicContact CD1-CE1 4.34Å; F81-F83 HydrophobicContact CD1-CZ 4.28Å; F81-V91 HydrophobicContact CB-CB 4.46Å; F81-V91 HydrophobicContact CB-CG1 3.7Å; F81-V91 HydrophobicContact CB-CG2 3.91Å; F81-V91 HydrophobicContact CD1-CG1 4.01Å; F81-V91 HydrophobicContact CD1-CG2 4.26Å; F81-V91 HydrophobicContact CD2-CG1 3.57Å; F81-V91 HydrophobicContact CE2-CG1 4.18Å; F81-V91 HydrophobicContact CG-CB 4.36Å; F81-V91 HydrophobicContact CG-CG1 3.49Å; F81-V91 VanDerWaalsContact CG-CG1 3.49Å; F81-V91 HydrophobicContact CG-CG2 4.2Å; F81-F94 HydrophobicContact CE1-CB 3.51Å; F81-F94 AromaticContact CE1-CD2 3.87Å; F81-F94 HydrophobicContact CE1-CD2 3.87Å; F81-F94 AromaticContact CE1-CG 3.83Å; F81-F94 HydrophobicContact CE1-CG 3.83Å; F81-F94 HydrophobicContact CZ-CB 3.49Å; F81-F94 VanDerWaalsContact CZ-CB 3.49Å; F81-F94 HydrophobicContact CZ-CG 4.25Å; F81-L98 HydrophobicContact CZ-CD1 4.02Å; F81-Y104 VanDerWaalsContact CD2-O 3.28Å; F81-Y104 WeakPolarHBondContact CD2-O 3.36Å; F81-Y104 PolarHBondContact N-O 3.43Å; F81-Y105 HydrophobicContact CB-CD2 4.04Å; F81-Y105 WeakPolarHBondContact O-CA 3.29Å; F81-Y105 VanDerWaalsContact O-CD2 3.3Å; F81-Y105 WeakPolarHBondContact O-CD2 2.89Å; F81-I106 PolarHBondContact O-N 3.1Å |
| 82 | W | 94.3 | Very high | 89.6 | Confident | 15 Ų | 15 | 49.7 Ų | 49.7 | 6% | 0.057 | 27% | 0.266 | C | S | . | . | trans | -115.7 | 64.7 | 172.8 | -161.2 | -22 | 0 | 0 | 0 | 109.7 | V36 L37 V38 V47 I106 L111 I116 V130 C133 L134 | V36-W82 HydrophobicContact CG1-CB 4.28Å; V36-W82 HydrophobicContact CG1-CE3 4.42Å; L37-W82 PolarHBondContact O-N 3.05Å; V38-W82 HydrophobicContact CG1-CB 4.18Å; V47-W82 HydrophobicContact CG1-CE3 4.21Å; V47-W82 HydrophobicContact CG1-CZ3 4.07Å; V47-W82 HydrophobicContact CG2-CE3 4.23Å; V47-W82 HydrophobicContact CG2-CZ3 4.21Å; W82-I106 HydrophobicContact CB-CB 4.24Å; W82-I106 HydrophobicContact CB-CG1 4Å; W82-I106 HydrophobicContact CD2-CB 3.99Å; W82-I106 HydrophobicContact CD2-CG1 3.76Å; W82-I106 HydrophobicContact CD2-CG2 3.92Å; W82-I106 HydrophobicContact CE3-CD1 4.41Å; W82-I106 HydrophobicContact CE3-CG1 3.95Å; W82-I106 HydrophobicContact CG-CB 3.77Å; W82-I106 HydrophobicContact CG-CG1 3.79Å; W82-I106 HydrophobicContact CG-CG2 4.08Å; W82-I106 HydrophobicContact CZ2-CG2 4.01Å; W82-L111 HydrophobicContact CZ2-CD1 3.86Å; W82-L111 HydrophobicContact CZ2-CD2 4.26Å; W82-L111 HydrophobicContact CZ2-CG 4.2Å; W82-I116 HydrophobicContact CB-CD1 4.29Å; W82-I116 HydrophobicContact CD2-CD1 3.96Å; W82-I116 HydrophobicContact CD2-CG1 4.29Å; W82-I116 HydrophobicContact CG-CD1 3.73Å; W82-I116 HydrophobicContact CG-CG1 4.28Å; W82-V130 HydrophobicContact CH2-CB 4.41Å; W82-V130 HydrophobicContact CH2-CG1 3.95Å; W82-V130 HydrophobicContact CH2-CG2 4.49Å; W82-V130 HydrophobicContact CZ3-CG1 3.8Å; W82-C133 HydrophobicContact CH2-CB 3.54Å; W82-C133 HydrophobicContact CZ2-CB 3.86Å; W82-C133 HydrophobicContact CZ3-CB 4.34Å; W82-L134 HydrophobicContact CE3-CD2 4Å; W82-L134 HydrophobicContact CZ3-CD2 3.88Å; W82-L134 HydrophobicContact CZ3-CG 3.9Å | ||
| 83 | F | 91.4 | Very high | 89.6 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 1% | 0.013 | 27% | 0.272 | C | S | . | . | trans | -100 | 150.5 | -176.3 | -75.8 | 22.2 | 0 | 0 | 0 | 110.8 | L37 M39 F58 F81 E87 K90 V91 Y105 | L37-F83 HydrophobicContact CB-CE1 4Å; L37-F83 WeakPolarHBondContact O-CE1 3.25Å; M39-F83 HydrophobicContact CG-CD1 4.02Å; M39-F83 HydrophobicContact CG-CD2 4.28Å; M39-F83 HydrophobicContact CG-CE1 4.29Å; M39-F83 HydrophobicContact CG-CG 4.03Å; M39-F83 HydrophobicContact SD-CD1 4.16Å; M39-F83 HydrophobicContact SD-CD2 3.63Å; M39-F83 HydrophobicContact SD-CE1 4.03Å; M39-F83 HydrophobicContact SD-CE2 3.49Å; M39-F83 WeakPolarHBondContact SD-CE2 3.26Å; M39-F83 HydrophobicContact SD-CG 3.99Å; M39-F83 HydrophobicContact SD-CZ 3.7Å; F58-F83 HydrophobicContact CD2-CZ 4.18Å; F58-F83 HydrophobicContact CE2-CE1 4.36Å; F58-F83 AromaticContact CE2-CZ 3.71Å; F58-F83 HydrophobicContact CE2-CZ 3.71Å; F81-F83 HydrophobicContact CD1-CE1 4.34Å; F81-F83 HydrophobicContact CD1-CZ 4.28Å; F83-E87 HydrophobicContact CB-CB 4.33Å; F83-E87 HydrophobicContact CD2-CB 4.15Å; F83-K90 HydrophobicContact CD2-CB 4.46Å; F83-K90 HydrophobicContact CE2-CB 4.18Å; F83-V91 HydrophobicContact CB-CG2 3.74Å; F83-V91 HydrophobicContact CD2-CG2 3.35Å; F83-V91 HydrophobicContact CE2-CG2 4.03Å; F83-V91 HydrophobicContact CG-CG2 3.66Å; F83-Y105 HydrophobicContact CB-CE2 4.36Å; F83-Y105 PolarHBondContact O-OH 3.41Å; F83-Y105 VanDerWaalsContact O-OH 3.05Å | ||
| 84 | P | 88.7 | Confident | 89.6 | Confident | 40 Ų | 40 | 51.4 Ų | 51.4 | 26% | 0.26 | 27% | 0.272 | S | S | . | . | trans | -65.7 | 159.9 | 173.1 | 32.4 | -37 | 0 | 0 | 0 | 111.2 | N86 E87 | P84-N86 VanDerWaalsContact C-N 3.25Å; P84-N86 WeakPolarHBondContact CB-OD1 3.46Å; P84-N86 VanDerWaalsContact CG-OD1 3.25Å; P84-N86 WeakPolarHBondContact CG-OD1 3.39Å; P84-N86 PolarHBondContact O-N 3.4Å; P84-E87 HydrophobicContact CG-CB 4.05Å; P84-E87 HydrophobicContact CG-CG 3.76Å; P84-E87 PolarHBondContact O-N 2.78Å | ||
| 85 | T | 85.8 | Confident | 89.6 | Confident | 97 Ų | 97 | 49.7 Ų | 49.7 | 60% | 0.595 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -57.1 | -36.5 | -174.7 | 42.1 | 0 | 0 | 0 | 0 | 113.4 | E87 I88 P108 | T85-E87 PolarHBondContact O-N 3.05Å; T85-I88 WeakPolarHBondContact O-CG2 3.36Å; T85-I88 PolarHBondContact O-N 2.68Å; T85-P108 HydrophobicContact CG2-CB 3.93Å; T85-P108 HydrophobicContact CG2-CG 3.56Å |
| 86 | N | 87.5 | Confident | 89.5 | Confident | 119 Ų | 119 | 50.5 Ų | 50.5 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -69.6 | -10.9 | 179.3 | 63.9 | -43.2 | 0 | 0 | 0 | 113.6 | P84 | P84-N86 VanDerWaalsContact C-N 3.25Å; P84-N86 WeakPolarHBondContact CB-OD1 3.46Å; P84-N86 VanDerWaalsContact CG-OD1 3.25Å; P84-N86 WeakPolarHBondContact CG-OD1 3.39Å; P84-N86 PolarHBondContact O-N 3.4Å |
| 87 | E | 87.8 | Confident | 89.2 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -112.3 | 13.4 | -178.1 | -63.1 | -70.8 | -160.6 | 0 | 0 | 112.9 | M39 F83 P84 T85 D89 K90 V91 | M39-E87 HydrophobicContact CE-CG 4.03Å; F83-E87 HydrophobicContact CB-CB 4.33Å; F83-E87 HydrophobicContact CD2-CB 4.15Å; P84-E87 HydrophobicContact CG-CB 4.05Å; P84-E87 HydrophobicContact CG-CG 3.76Å; P84-E87 PolarHBondContact O-N 2.78Å; T85-E87 PolarHBondContact O-N 3.05Å; E87-D89 PolarHBondContact O-N 2.9Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.45Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 2.81Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.25Å; E87-K90 WeakPolarHBondContact OE2-CE 3.21Å; E87-K90 IonicContact OE2-NZ 3.41Å; E87-K90 PolarHBondContact OE2-NZ 3.42Å; E87-V91 PolarHBondContact O-N 3.34Å |
| 88 | I | 86.7 | Confident | 89 | Confident | 57 Ų | 57 | 46 Ų | 46 | 29% | 0.292 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61.8 | -28.5 | -178.6 | -161.8 | 164 | 0 | 0 | 0 | 112.8 | T85 K90 V91 K92 Y105 | T85-I88 WeakPolarHBondContact O-CG2 3.36Å; T85-I88 PolarHBondContact O-N 2.68Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 2.66Å; I88-V91 WeakPolarHBondContact O-CB 3.5Å; I88-V91 PolarHBondContact O-N 2.98Å; I88-K92 WeakPolarHBondContact O-CG 3.09Å; I88-K92 PolarHBondContact O-N 2.86Å; I88-Y105 HydrophobicContact CD1-CE1 4.41Å |
| 89 | D | 86.8 | Confident | 88.6 | Confident | 92 Ų | 92 | 44 Ų | 44 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69 | -30.2 | 177.9 | -68.1 | -32.6 | 0 | 0 | 0 | 112.2 | E87 K92 Q93 | E87-D89 PolarHBondContact O-N 2.9Å; D89-K92 PolarHBondContact O-N 3Å; D89-K92 IonicContact OD1-NZ 2.8Å; D89-K92 PolarHBondContact OD1-NZ 3.26Å; D89-Q93 WeakPolarHBondContact O-CG 3.49Å; D89-Q93 PolarHBondContact O-N 2.8Å; D89-Q93 VanDerWaalsContact O-N 3.09Å |
| 90 | K | 87.1 | Confident | 88.1 | Confident | 43 Ų | 43 | 46.6 Ų | 46.6 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 171 | -63.7 | -178.4 | 178.7 | 156.6 | 0 | 111.2 | M39 V63 F65 F83 E87 I88 K92 Q93 F94 | M39-K90 HydrophobicContact CE-CD 4.42Å; V63-K90 HydrophobicContact CB-CD 3.81Å; V63-K90 HydrophobicContact CG1-CD 4.24Å; V63-K90 HydrophobicContact CG2-CD 3.74Å; F65-K90 HydrophobicContact CZ-CB 4.33Å; F83-K90 HydrophobicContact CD2-CB 4.46Å; F83-K90 HydrophobicContact CE2-CB 4.18Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.45Å; E87-K90 VanDerWaalsContact O-N 3.1Å; E87-K90 IonicContact OE1-NZ 2.81Å; E87-K90 PolarHBondContact OE1-NZ 2.98Å; E87-K90 WeakPolarHBondContact OE2-CD 3.25Å; E87-K90 WeakPolarHBondContact OE2-CE 3.21Å; E87-K90 IonicContact OE2-NZ 3.41Å; E87-K90 PolarHBondContact OE2-NZ 3.42Å; I88-K90 VanDerWaalsContact C-N 3.3Å; I88-K90 PolarHBondContact O-N 2.66Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 2.81Å; K90-Q93 PolarHBondContact O-N 2.64Å; K90-F94 WeakPolarHBondContact O-CD2 3.47Å; K90-F94 PolarHBondContact O-N 3.28Å |
| 91 | V | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | F81 F83 E87 I88 Q93 F94 M95 Y105 M140 | F81-V91 HydrophobicContact CB-CB 4.46Å; F81-V91 HydrophobicContact CB-CG1 3.7Å; F81-V91 HydrophobicContact CB-CG2 3.91Å; F81-V91 HydrophobicContact CD1-CG1 4.01Å; F81-V91 HydrophobicContact CD1-CG2 4.26Å; F81-V91 HydrophobicContact CD2-CG1 3.57Å; F81-V91 HydrophobicContact CE2-CG1 4.18Å; F81-V91 HydrophobicContact CG-CB 4.36Å; F81-V91 HydrophobicContact CG-CG1 3.49Å; F81-V91 VanDerWaalsContact CG-CG1 3.49Å; F81-V91 HydrophobicContact CG-CG2 4.2Å; F83-V91 HydrophobicContact CB-CG2 3.74Å; F83-V91 HydrophobicContact CD2-CG2 3.35Å; F83-V91 HydrophobicContact CE2-CG2 4.03Å; F83-V91 HydrophobicContact CG-CG2 3.66Å; E87-V91 PolarHBondContact O-N 3.34Å; I88-V91 WeakPolarHBondContact O-CB 3.5Å; I88-V91 PolarHBondContact O-N 2.98Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 3.05Å; V91-F94 PolarHBondContact O-N 3.23Å; V91-M95 VanDerWaalsContact O-CB 3.29Å; V91-M95 WeakPolarHBondContact O-CB 3.31Å; V91-M95 PolarHBondContact O-N 3.4Å; V91-Y105 HydrophobicContact CG1-CD2 4.38Å; V91-Y105 HydrophobicContact CG2-CD2 4.36Å; V91-Y105 HydrophobicContact CG2-CE2 4.33Å; V91-M140 HydrophobicContact CB-CE 4.5Å; V91-M140 HydrophobicContact CG1-CE 3.74Å; V91-M140 HydrophobicContact CG1-CG 4.15Å; V91-M140 HydrophobicContact CG1-SD 3.55Å; V91-M140 VanDerWaalsContact CG1-SD 3.55Å |
| 92 | K | 86.8 | Confident | 87.5 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | 177.8 | -68.3 | 173.9 | -167.4 | 156.1 | 0 | 112.2 | I88 D89 K90 M95 A96 M140 | I88-K92 WeakPolarHBondContact O-CG 3.09Å; I88-K92 PolarHBondContact O-N 2.86Å; D89-K92 PolarHBondContact O-N 3Å; D89-K92 IonicContact OD1-NZ 2.8Å; D89-K92 PolarHBondContact OD1-NZ 3.26Å; K90-K92 VanDerWaalsContact C-N 3.3Å; K90-K92 PolarHBondContact O-N 2.81Å; K92-M95 HydrophobicContact CB-CE 4.21Å; K92-M95 HydrophobicContact CG-CE 4.41Å; K92-M95 PolarHBondContact O-N 3.03Å; K92-A96 PolarHBondContact O-N 3.02Å; K92-M140 HydrophobicContact CG-CE 4.29Å |
| 93 | Q | 86.7 | Confident | 87.4 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 46% | 0.458 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 176.7 | -70.7 | 174 | 43.4 | 0 | 0 | 111.9 | F65 D89 K90 V91 M95 A96 I97 | F65-Q93 HydrophobicContact CD1-CB 4.38Å; F65-Q93 HydrophobicContact CE1-CB 3.52Å; F65-Q93 HydrophobicContact CE2-CB 4.28Å; F65-Q93 HydrophobicContact CZ-CB 3.46Å; F65-Q93 VanDerWaalsContact CZ-CB 3.46Å; F65-Q93 HydrophobicContact CZ-CG 4.31Å; D89-Q93 WeakPolarHBondContact O-CG 3.49Å; D89-Q93 PolarHBondContact O-N 2.8Å; D89-Q93 VanDerWaalsContact O-N 3.09Å; K90-Q93 PolarHBondContact O-N 2.64Å; V91-Q93 VanDerWaalsContact C-N 3.31Å; V91-Q93 PolarHBondContact O-N 3.05Å; Q93-M95 VanDerWaalsContact C-N 3.31Å; Q93-M95 PolarHBondContact O-N 2.98Å; Q93-A96 PolarHBondContact O-N 2.86Å; Q93-I97 WeakPolarHBondContact O-CG1 3.44Å; Q93-I97 PolarHBondContact O-N 2.78Å |
| 94 | F | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -43.3 | 174.8 | -83.1 | -66.1 | 0 | 0 | 0 | 111.9 | F58 V63 F65 L70 F81 K90 V91 A96 I97 L98 | F58-F94 HydrophobicContact CD1-CZ 4.37Å; F58-F94 HydrophobicContact CE1-CE1 4.02Å; F58-F94 HydrophobicContact CE1-CE2 4.06Å; F58-F94 AromaticContact CE1-CZ 3.31Å; F58-F94 HydrophobicContact CE1-CZ 3.31Å; F58-F94 AromaticContact CE2-CE2 3.95Å; F58-F94 HydrophobicContact CE2-CE2 3.95Å; F58-F94 HydrophobicContact CE2-CZ 4.03Å; F58-F94 HydrophobicContact CZ-CD2 4.49Å; F58-F94 AromaticContact CZ-CE1 3.84Å; F58-F94 HydrophobicContact CZ-CE1 3.84Å; F58-F94 AromaticContact CZ-CE2 3.46Å; F58-F94 HydrophobicContact CZ-CE2 3.46Å; F58-F94 VanDerWaalsContact CZ-CE2 3.46Å; F58-F94 AromaticContact CZ-CZ 3.1Å; F58-F94 HydrophobicContact CZ-CZ 3.1Å; V63-F94 HydrophobicContact CG1-CD2 4.47Å; V63-F94 HydrophobicContact CG1-CE2 3.26Å; V63-F94 HydrophobicContact CG1-CZ 3.53Å; F65-F94 HydrophobicContact CD1-CD1 4Å; F65-F94 AromaticContact CD1-CE1 3.75Å; F65-F94 HydrophobicContact CD1-CE1 3.75Å; F65-F94 HydrophobicContact CD1-CE2 4.33Å; F65-F94 HydrophobicContact CD1-CG 4.34Å; F65-F94 AromaticContact CD1-CZ 3.88Å; F65-F94 HydrophobicContact CD1-CZ 3.88Å; F65-F94 HydrophobicContact CE1-CB 4.41Å; F65-F94 AromaticContact CE1-CD1 3.79Å; F65-F94 HydrophobicContact CE1-CD1 3.79Å; F65-F94 AromaticContact CE1-CD2 3.58Å; F65-F94 HydrophobicContact CE1-CD2 3.58Å; F65-F94 AromaticContact CE1-CE1 3.76Å; F65-F94 HydrophobicContact CE1-CE1 3.76Å; F65-F94 AromaticContact CE1-CE2 3.58Å; F65-F94 HydrophobicContact CE1-CE2 3.58Å; F65-F94 AromaticContact CE1-CG 3.66Å; F65-F94 HydrophobicContact CE1-CG 3.66Å; F65-F94 AromaticContact CE1-CZ 3.61Å; F65-F94 HydrophobicContact CE1-CZ 3.61Å; F65-F94 HydrophobicContact CZ-CD2 4.08Å; F65-F94 AromaticContact CZ-CE2 3.91Å; F65-F94 HydrophobicContact CZ-CE2 3.91Å; F65-F94 HydrophobicContact CZ-CZ 4.21Å; L70-F94 HydrophobicContact CD2-CD1 3.67Å; L70-F94 HydrophobicContact CD2-CE1 3.64Å; F81-F94 HydrophobicContact CE1-CB 3.51Å; F81-F94 AromaticContact CE1-CD2 3.87Å; F81-F94 HydrophobicContact CE1-CD2 3.87Å; F81-F94 AromaticContact CE1-CG 3.83Å; F81-F94 HydrophobicContact CE1-CG 3.83Å; F81-F94 HydrophobicContact CZ-CB 3.49Å; F81-F94 VanDerWaalsContact CZ-CB 3.49Å; F81-F94 HydrophobicContact CZ-CG 4.25Å; K90-F94 WeakPolarHBondContact O-CD2 3.47Å; K90-F94 PolarHBondContact O-N 3.28Å; V91-F94 PolarHBondContact O-N 3.23Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.88Å; F94-I97 PolarHBondContact O-N 3.05Å; F94-I97 VanDerWaalsContact O-N 3.13Å; F94-L98 HydrophobicContact CB-CD1 4.27Å; F94-L98 VanDerWaalsContact O-CB 3.28Å; F94-L98 WeakPolarHBondContact O-CB 3.45Å; F94-L98 VanDerWaalsContact O-CG 3.29Å; F94-L98 WeakPolarHBondContact O-CG 3.41Å; F94-L98 PolarHBondContact O-N 3.38Å |
| 95 | M | 85.9 | Confident | 87.8 | Confident | 10 Ų | 10 | 55.9 Ų | 55.9 | 5% | 0.049 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -35 | 178.7 | 170.4 | -160.1 | 70.2 | 0 | 0 | 112.2 | V91 K92 Q93 I97 G99 M140 F141 | V91-M95 VanDerWaalsContact O-CB 3.29Å; V91-M95 WeakPolarHBondContact O-CB 3.31Å; V91-M95 PolarHBondContact O-N 3.4Å; K92-M95 HydrophobicContact CB-CE 4.21Å; K92-M95 HydrophobicContact CG-CE 4.41Å; K92-M95 PolarHBondContact O-N 3.03Å; Q93-M95 VanDerWaalsContact C-N 3.31Å; Q93-M95 PolarHBondContact O-N 2.98Å; M95-I97 PolarHBondContact O-N 3.47Å; M95-G99 CarbonylContact O-C 3.58Å; M95-G99 VanDerWaalsContact O-CA 3.22Å; M95-G99 WeakPolarHBondContact O-CA 3.42Å; M95-G99 PolarHBondContact O-N 2.74Å; M95-M140 HydrophobicContact CE-CE 4.4Å; M95-M140 HydrophobicContact CG-CB 4.45Å; M95-M140 HydrophobicContact SD-CB 3.6Å; M95-M140 HydrophobicContact SD-CE 3.73Å; M95-M140 HydrophobicContact SD-CG 4.25Å; M95-F141 HydrophobicContact CE-CD2 3.6Å; M95-F141 HydrophobicContact CE-CE2 2.98Å; M95-F141 HydrophobicContact CE-CZ 3.74Å; M95-F141 HydrophobicContact CG-CD2 4.33Å; M95-F141 HydrophobicContact SD-CD2 3.19Å; M95-F141 WeakPolarHBondContact SD-CD2 3.15Å; M95-F141 HydrophobicContact SD-CE2 3.34Å; M95-F141 WeakPolarHBondContact SD-CE2 3.32Å; M95-F141 HydrophobicContact SD-CG 4.24Å; M95-F141 HydrophobicContact SD-CZ 4.37Å |
| 96 | A | 84 | Confident | 88.2 | Confident | 84 Ų | 84 | 51.3 Ų | 51.3 | 69% | 0.694 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63 | -32.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | K92 Q93 F94 | K92-A96 PolarHBondContact O-N 3.02Å; Q93-A96 PolarHBondContact O-N 2.86Å; F94-A96 VanDerWaalsContact C-N 3.31Å; F94-A96 PolarHBondContact O-N 2.88Å |
| 97 | I | 86.2 | Confident | 88.3 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 46% | 0.462 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -85.1 | -44.4 | 179.4 | -60.6 | 168 | 0 | 0 | 0 | 111.3 | F65 L70 Q93 F94 M95 | F65-I97 HydrophobicContact CD1-CD1 4Å; L70-I97 HydrophobicContact CD1-CD1 3.9Å; L70-I97 HydrophobicContact CD1-CG2 4.11Å; L70-I97 HydrophobicContact CD2-CD1 4.14Å; L70-I97 HydrophobicContact CD2-CG2 4.05Å; Q93-I97 WeakPolarHBondContact O-CG1 3.44Å; Q93-I97 PolarHBondContact O-N 2.78Å; F94-I97 PolarHBondContact O-N 3.05Å; F94-I97 VanDerWaalsContact O-N 3.13Å; M95-I97 PolarHBondContact O-N 3.47Å |
| 98 | L | 87.9 | Confident | 88.2 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -79.3 | -36 | -175.8 | -66 | 174.8 | 0 | 0 | 0 | 111 | I73 V79 F81 F94 R102 | I73-L98 HydrophobicContact CG2-CD1 3.78Å; I73-L98 HydrophobicContact CG2-CD2 4.13Å; V79-L98 HydrophobicContact CG1-CD1 4.2Å; V79-L98 HydrophobicContact CG2-CD1 4.38Å; F81-L98 HydrophobicContact CZ-CD1 4.02Å; F94-L98 HydrophobicContact CB-CD1 4.27Å; F94-L98 VanDerWaalsContact O-CB 3.28Å; F94-L98 WeakPolarHBondContact O-CB 3.45Å; F94-L98 VanDerWaalsContact O-CG 3.29Å; F94-L98 WeakPolarHBondContact O-CG 3.41Å; F94-L98 PolarHBondContact O-N 3.38Å; L98-R102 VanDerWaalsContact C-NE 3.35Å; L98-R102 VanDerWaalsContact CA-NH2 3.3Å; L98-R102 PolarHBondContact O-NE 2.86Å; L98-R102 PolarHBondContact O-NH2 3.19Å |
| 99 | G | 86.6 | Confident | 88.2 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 21% | 0.206 | 26% | 0.258 | C | S | . | . | trans | 108 | 145.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M95 E101 S103 | M95-G99 CarbonylContact O-C 3.58Å; M95-G99 VanDerWaalsContact O-CA 3.22Å; M95-G99 WeakPolarHBondContact O-CA 3.42Å; M95-G99 PolarHBondContact O-N 2.74Å; G99-E101 VanDerWaalsContact C-N 3.35Å; G99-E101 PolarHBondContact O-N 3.17Å; G99-S103 PolarHBondContact O-OG 2.81Å | ||
| 100 | P | 84.5 | Confident | 88.3 | Confident | 54 Ų | 54 | 44.5 Ų | 44.5 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.6 | -173.6 | 30.1 | -37.7 | 0 | 0 | 0 | 114 | R102 R139 F141 | P100-R102 VanDerWaalsContact C-N 3.32Å; P100-R102 PolarHBondContact O-N 3.02Å; P100-R139 PolarHBondContact O-NE 3.14Å; P100-F141 HydrophobicContact CB-CB 4.11Å; P100-F141 HydrophobicContact CB-CD2 3.82Å; P100-F141 HydrophobicContact CB-CG 4.44Å |
| 101 | E | 86.6 | Confident | 88.3 | Confident | 121 Ų | 121 | 42.6 Ų | 42.6 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -34.1 | -177.9 | -64.1 | -59.7 | 137.8 | 0 | 0 | 113 | G99 R139 | G99-E101 VanDerWaalsContact C-N 3.35Å; G99-E101 PolarHBondContact O-N 3.17Å; E101-R139 IonicContact OE1-CZ 3.81Å; E101-R139 IonicContact OE1-NH1 3.02Å; E101-R139 IonicContact OE1-NH2 2.73Å; E101-R139 PolarHBondContact OE1-NH2 3.39Å; E101-R139 IonicContact OE2-CZ 2.8Å; E101-R139 IonicContact OE2-NH1 3.29Å; E101-R139 PolarHBondContact OE2-NH1 2.94Å; E101-R139 IonicContact OE2-NH2 3.23Å; E101-R139 PolarHBondContact OE2-NH2 2.73Å |
| 102 | R | 90.4 | Very high | 88.1 | Confident | 56 Ų | 56 | 48.8 Ų | 48.8 | 21% | 0.211 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -101.7 | -4.3 | -177.5 | 61.1 | 172.6 | 170.5 | -173.8 | -5.7 | 114.5 | A74 F76 R77 V79 L98 P100 Y104 | A74-R102 PolarHBondContact O-NH1 2.97Å; F76-R102 WeakPolarHBondContact O-CD 3.23Å; F76-R102 PolarHBondContact O-NH1 3.04Å; R77-R102 WeakPolarHBondContact O-CB 3.45Å; V79-R102 PolarHBondContact N-O 2.96Å; L98-R102 VanDerWaalsContact C-NE 3.35Å; L98-R102 VanDerWaalsContact CA-NH2 3.3Å; L98-R102 PolarHBondContact O-NE 2.86Å; L98-R102 PolarHBondContact O-NH2 3.19Å; P100-R102 VanDerWaalsContact C-N 3.32Å; P100-R102 PolarHBondContact O-N 3.02Å; R102-Y104 WeakPolarHBondContact O-CD2 3.49Å |
| 103 | S | 92.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 118.5 | -173.3 | -63.7 | 0 | 0 | 0 | 0 | 111 | G99 M140 | G99-S103 PolarHBondContact O-OG 2.81Å; S103-M140 WeakPolarHBondContact O-CB 3.49Å; S103-M140 PolarHBondContact O-N 3.24Å |
| 104 | Y | 94.6 | Very high | 87.9 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 23% | 0.227 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.6 | 179.6 | -67.2 | -102.9 | 0 | 0 | 0 | 110 | K78 V79 I80 F81 R102 L138 R139 | K78-Y104 HydrophobicContact CB-CE2 4.45Å; K78-Y104 HydrophobicContact CD-CD2 4.16Å; K78-Y104 HydrophobicContact CD-CE2 4.04Å; K78-Y104 HydrophobicContact CG-CD2 3.55Å; K78-Y104 HydrophobicContact CG-CE2 3.62Å; K78-Y104 HydrophobicContact CG-CG 4.31Å; V79-Y104 PolarHBondContact O-N 3.45Å; I80-Y104 CarbonylContact C-O 3.58Å; I80-Y104 WeakPolarHBondContact CA-O 3.3Å; F81-Y104 VanDerWaalsContact CD2-O 3.28Å; F81-Y104 WeakPolarHBondContact CD2-O 3.36Å; F81-Y104 PolarHBondContact N-O 3.43Å; R102-Y104 WeakPolarHBondContact O-CD2 3.49Å; Y104-L138 CarbonylContact C-O 3.51Å; Y104-L138 WeakPolarHBondContact CA-O 3.4Å; Y104-R139 HydrophobicContact CD1-CB 4.45Å; Y104-R139 HydrophobicContact CE1-CB 4.35Å |
| 105 | Y | 93.7 | Very high | 88.1 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 135.6 | -177.1 | 179.4 | -109.5 | 0 | 0 | 0 | 111.5 | F81 F83 I88 V91 S107 P108 L138 M140 | F81-Y105 HydrophobicContact CB-CD2 4.04Å; F81-Y105 WeakPolarHBondContact O-CA 3.29Å; F81-Y105 VanDerWaalsContact O-CD2 3.3Å; F81-Y105 WeakPolarHBondContact O-CD2 2.89Å; F83-Y105 HydrophobicContact CB-CE2 4.36Å; F83-Y105 PolarHBondContact O-OH 3.41Å; F83-Y105 VanDerWaalsContact O-OH 3.05Å; I88-Y105 HydrophobicContact CD1-CE1 4.41Å; V91-Y105 HydrophobicContact CG1-CD2 4.38Å; V91-Y105 HydrophobicContact CG2-CD2 4.36Å; V91-Y105 HydrophobicContact CG2-CE2 4.33Å; Y105-S107 PolarHBondContact O-N 3.22Å; Y105-P108 WeakPolarHBondContact OH-CD 3.35Å; Y105-P108 WeakPolarHBondContact OH-CG 3.49Å; Y105-L138 PolarHBondContact N-O 2.66Å; Y105-L138 PolarHBondContact O-N 2.81Å; Y105-M140 WeakPolarHBondContact CB-SD 3.22Å; Y105-M140 HydrophobicContact CD1-SD 4.49Å; Y105-M140 HydrophobicContact CD2-SD 4.32Å; Y105-M140 HydrophobicContact CG-SD 3.85Å |
| 106 | I | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | trans | -85 | 110.5 | 173.2 | -58.1 | -76.7 | 0 | 0 | 0 | 107.4 | I80 F81 W82 P108 L110 C133 L134 C137 | I80-I106 HydrophobicContact CG2-CD1 4.01Å; I80-I106 HydrophobicContact CG2-CG1 3.77Å; F81-I106 PolarHBondContact O-N 3.1Å; W82-I106 HydrophobicContact CB-CB 4.24Å; W82-I106 HydrophobicContact CB-CG1 4Å; W82-I106 HydrophobicContact CD2-CB 3.99Å; W82-I106 HydrophobicContact CD2-CG1 3.76Å; W82-I106 HydrophobicContact CD2-CG2 3.92Å; W82-I106 HydrophobicContact CE3-CD1 4.41Å; W82-I106 HydrophobicContact CE3-CG1 3.95Å; W82-I106 HydrophobicContact CG-CB 3.77Å; W82-I106 HydrophobicContact CG-CG1 3.79Å; W82-I106 HydrophobicContact CG-CG2 4.08Å; W82-I106 HydrophobicContact CZ2-CG2 4.01Å; I106-P108 WeakPolarHBondContact O-CD 3Å; I106-L110 HydrophobicContact CG2-CD1 3.89Å; I106-C133 VanDerWaalsContact CD1-O 3.23Å; I106-C133 WeakPolarHBondContact CD1-O 3.34Å; I106-C133 HydrophobicContact CG2-CB 4.45Å; I106-L134 HydrophobicContact CD1-CD2 4.12Å; I106-C137 HydrophobicContact CD1-CB 3.62Å; I106-C137 HydrophobicContact CG1-CB 4.46Å | ||
| 107 | S | 89.6 | Confident | 88.7 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | trans | -61.3 | 129.4 | 175.4 | -177.2 | 0 | 0 | 0 | 0 | 110.2 | Y105 S109 L110 | Y105-S107 PolarHBondContact O-N 3.22Å; S107-S109 WeakPolarHBondContact CB-OG 3.44Å; S107-S109 PolarHBondContact O-N 2.8Å; S107-S109 PolarHBondContact OG-OG 3.03Å; S107-L110 VanDerWaalsContact O-CB 3.29Å; S107-L110 WeakPolarHBondContact O-CB 3.28Å; S107-L110 WeakPolarHBondContact O-CG 3.29Å; S107-L110 PolarHBondContact O-N 2.98Å | ||
| 108 | P | 86.3 | Confident | 88.9 | Confident | 24 Ų | 24 | 49.3 Ų | 49.3 | 16% | 0.156 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -58.3 | -22.2 | 176.8 | -31.6 | 41.7 | 0 | 0 | 0 | 113.5 | T85 Y105 I106 L110 L111 K112 G113 | T85-P108 HydrophobicContact CG2-CB 3.93Å; T85-P108 HydrophobicContact CG2-CG 3.56Å; Y105-P108 WeakPolarHBondContact OH-CD 3.35Å; Y105-P108 WeakPolarHBondContact OH-CG 3.49Å; I106-P108 WeakPolarHBondContact O-CD 3Å; P108-L110 PolarHBondContact O-N 2.81Å; P108-L111 PolarHBondContact O-N 3.31Å; P108-L111 VanDerWaalsContact O-N 3.1Å; P108-K112 PolarHBondContact O-N 3.09Å; P108-G113 WeakPolarHBondContact O-CA 3.33Å; P108-G113 PolarHBondContact O-N 3.22Å |
| 109 | S | 86.7 | Confident | 89.1 | Confident | 82 Ų | 82 | 49.8 Ų | 49.8 | 57% | 0.573 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.4 | -28.3 | 172.1 | 65.2 | 0 | 0 | 0 | 0 | 113.5 | S107 L111 K112 | S107-S109 WeakPolarHBondContact CB-OG 3.44Å; S107-S109 PolarHBondContact O-N 2.8Å; S107-S109 PolarHBondContact OG-OG 3.03Å; S109-L111 PolarHBondContact O-N 3.19Å; S109-K112 PolarHBondContact O-N 3.29Å |
| 110 | L | 88.4 | Confident | 89.3 | Confident | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -64.7 | -27.6 | 177.4 | -65.7 | 170.7 | 0 | 0 | 0 | 112.2 | I106 S107 P108 L128 K136 | I106-L110 HydrophobicContact CG2-CD1 3.89Å; S107-L110 VanDerWaalsContact O-CB 3.29Å; S107-L110 WeakPolarHBondContact O-CB 3.28Å; S107-L110 WeakPolarHBondContact O-CG 3.29Å; S107-L110 PolarHBondContact O-N 2.98Å; P108-L110 PolarHBondContact O-N 2.81Å; L110-L128 HydrophobicContact CB-CD1 4.32Å; L110-L128 HydrophobicContact CD2-CD1 3.75Å; L110-K136 HydrophobicContact CD1-CB 4.06Å; L110-K136 HydrophobicContact CD2-CB 3.96Å; L110-K136 HydrophobicContact CD2-CD 3.93Å |
| 111 | L | 86.7 | Confident | 89.7 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -101.2 | 18 | 172.8 | -62.7 | -174.3 | 0 | 0 | 0 | 112.7 | W82 P108 S109 G113 L114 I116 Y119 | W82-L111 HydrophobicContact CZ2-CD1 3.86Å; W82-L111 HydrophobicContact CZ2-CD2 4.26Å; W82-L111 HydrophobicContact CZ2-CG 4.2Å; P108-L111 PolarHBondContact O-N 3.31Å; P108-L111 VanDerWaalsContact O-N 3.1Å; S109-L111 PolarHBondContact O-N 3.19Å; L111-G113 PolarHBondContact O-N 3.48Å; L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 WeakPolarHBondContact CB-O 3.39Å; L111-L114 VanDerWaalsContact O-CB 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.23Å; L111-L114 VanDerWaalsContact O-CG 3.3Å; L111-L114 WeakPolarHBondContact O-CG 3.46Å; L111-L114 PolarHBondContact O-N 3.31Å; L111-L114 VanDerWaalsContact O-N 3.1Å; L111-I116 HydrophobicContact CD1-CG1 4.49Å; L111-Y119 HydrophobicContact CD1-CG 4.35Å; L111-Y119 HydrophobicContact CD2-CD1 4.43Å; L111-Y119 HydrophobicContact CD2-CD2 3.59Å; L111-Y119 HydrophobicContact CD2-CE2 3.88Å; L111-Y119 HydrophobicContact CD2-CG 3.88Å |
| 112 | K | 84.2 | Confident | 89.8 | Confident | 130 Ų | 130 | 57.6 Ų | 57.6 | 57% | 0.565 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 33.5 | -174.9 | -54 | -178.7 | -178.3 | 177.2 | 0 | 113.3 | P108 S109 L114 P124 K126 | P108-K112 PolarHBondContact O-N 3.09Å; S109-K112 PolarHBondContact O-N 3.29Å; K112-L114 VanDerWaalsContact C-N 3.29Å; K112-L114 PolarHBondContact O-N 3.25Å; K112-P124 HydrophobicContact CD-CB 4.41Å; K112-P124 HydrophobicContact CD-CG 4.39Å; K112-K126 VanDerWaalsContact CE-O 3.25Å; K112-K126 WeakPolarHBondContact CE-O 3.49Å; K112-K126 PolarHBondContact NZ-O 3.43Å |
| 113 | G | 83.2 | Confident | 89.5 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 57% | 0.567 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | -2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | P108 L111 | P108-G113 WeakPolarHBondContact O-CA 3.33Å; P108-G113 PolarHBondContact O-N 3.22Å; L111-G113 PolarHBondContact O-N 3.48Å |
| 114 | L | 87.9 | Confident | 89.1 | Confident | 53 Ų | 53 | 60.1 Ų | 60.1 | 28% | 0.277 | 32% | 0.317 | S | S | . | . | trans | -72.7 | 145.2 | 175.7 | -58.7 | 171.9 | 0 | 0 | 0 | 111 | L111 K112 E118 P124 | L111-L114 HydrophobicContact CB-CB 4.26Å; L111-L114 WeakPolarHBondContact CB-O 3.39Å; L111-L114 VanDerWaalsContact O-CB 3.29Å; L111-L114 WeakPolarHBondContact O-CB 3.23Å; L111-L114 VanDerWaalsContact O-CG 3.3Å; L111-L114 WeakPolarHBondContact O-CG 3.46Å; L111-L114 PolarHBondContact O-N 3.31Å; L111-L114 VanDerWaalsContact O-N 3.1Å; K112-L114 VanDerWaalsContact C-N 3.29Å; K112-L114 PolarHBondContact O-N 3.25Å; L114-E118 HydrophobicContact CB-CB 4.1Å; L114-E118 HydrophobicContact CD2-CB 4.02Å; L114-P124 HydrophobicContact CD1-CG 3.73Å | ||
| 115 | T | 90 | Very high | 88.5 | Confident | 58 Ų | 58 | 69.9 Ų | 69.9 | 36% | 0.356 | 35% | 0.353 | S | S | . | . | trans | -68 | 163.7 | 163.1 | 60.6 | 0 | 0 | 0 | 0 | 110.8 | K117 E118 Y119 | T115-K117 PolarHBondContact O-N 3.23Å; T115-E118 WeakPolarHBondContact CB-OE2 3.17Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.35Å; T115-E118 PolarHBondContact N-OE2 3.21Å; T115-E118 PolarHBondContact O-N 3.44Å; T115-E118 WeakPolarHBondContact OG1-CB 3.28Å; T115-E118 VanDerWaalsContact OG1-CD 3.24Å; T115-E118 VanDerWaalsContact OG1-CG 3.22Å; T115-E118 WeakPolarHBondContact OG1-CG 3.43Å; T115-E118 PolarHBondContact OG1-N 3.45Å; T115-E118 VanDerWaalsContact OG1-N 3.15Å; T115-E118 PolarHBondContact OG1-OE2 3.48Å; T115-Y119 VanDerWaalsContact O-CB 3.31Å; T115-Y119 WeakPolarHBondContact O-CB 3.35Å; T115-Y119 PolarHBondContact O-N 3.46Å | ||
| 116 | I | 91.5 | Very high | 88 | Confident | 10 Ų | 10 | 77.7 Ų | 77.7 | 5% | 0.051 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 175 | -60.8 | 169.4 | 0 | 0 | 0 | 109.9 | V38 D43 F46 V47 W82 L111 Y119 Y120 | V38-I116 HydrophobicContact CG1-CD1 3.92Å; D43-I116 HydrophobicContact CB-CB 4.21Å; D43-I116 HydrophobicContact CB-CD1 3.91Å; D43-I116 HydrophobicContact CB-CG2 3.93Å; D43-I116 WeakPolarHBondContact OD1-CB 3.35Å; D43-I116 WeakPolarHBondContact OD1-CG2 3.32Å; F46-I116 HydrophobicContact CD1-CG2 3.8Å; F46-I116 HydrophobicContact CE1-CG2 4.38Å; V47-I116 HydrophobicContact CG2-CD1 4.24Å; V47-I116 HydrophobicContact CG2-CG2 4.18Å; W82-I116 HydrophobicContact CB-CD1 4.29Å; W82-I116 HydrophobicContact CD2-CD1 3.96Å; W82-I116 HydrophobicContact CD2-CG1 4.29Å; W82-I116 HydrophobicContact CG-CD1 3.73Å; W82-I116 HydrophobicContact CG-CG1 4.28Å; L111-I116 HydrophobicContact CD1-CG1 4.49Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.31Å; I116-Y120 HydrophobicContact CG2-CD1 3.98Å; I116-Y120 HydrophobicContact CG2-CE1 4.13Å; I116-Y120 WeakPolarHBondContact O-CD1 3.24Å; I116-Y120 PolarHBondContact O-N 3.08Å |
| 117 | K | 91.6 | Very high | 87.6 | Confident | 122 Ų | 122 | 79.4 Ų | 79.4 | 53% | 0.53 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54 | -54.6 | 173.5 | -177.4 | 173.7 | -179.2 | -178.1 | 0 | 113.8 | T115 Y119 Y120 L121 | T115-K117 PolarHBondContact O-N 3.23Å; K117-Y119 PolarHBondContact O-N 3.45Å; K117-Y120 HydrophobicContact CB-CE1 4.24Å; K117-Y120 HydrophobicContact CG-CE2 4.4Å; K117-Y120 PolarHBondContact O-N 3.15Å; K117-L121 HydrophobicContact CG-CD1 3.82Å; K117-L121 WeakPolarHBondContact O-CB 3.04Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 2.7Å; K117-L121 VanDerWaalsContact O-N 3.09Å |
| 118 | E | 91.4 | Very high | 87.5 | Confident | 94 Ų | 94 | 79.9 Ų | 79.9 | 44% | 0.439 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.1 | -35.4 | 179.5 | -68.7 | 161.4 | 145.5 | 0 | 0 | 111.7 | L114 T115 K122 | L114-E118 HydrophobicContact CB-CB 4.1Å; L114-E118 HydrophobicContact CD2-CB 4.02Å; T115-E118 WeakPolarHBondContact CB-OE2 3.17Å; T115-E118 WeakPolarHBondContact CG2-OE2 3.35Å; T115-E118 PolarHBondContact N-OE2 3.21Å; T115-E118 PolarHBondContact O-N 3.44Å; T115-E118 WeakPolarHBondContact OG1-CB 3.28Å; T115-E118 VanDerWaalsContact OG1-CD 3.24Å; T115-E118 VanDerWaalsContact OG1-CG 3.22Å; T115-E118 WeakPolarHBondContact OG1-CG 3.43Å; T115-E118 PolarHBondContact OG1-N 3.45Å; T115-E118 VanDerWaalsContact OG1-N 3.15Å; T115-E118 PolarHBondContact OG1-OE2 3.48Å; E118-K122 PolarHBondContact O-N 3.16Å |
| 119 | Y | 91.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 82 Ų | 82 | 9% | 0.09 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.3 | -49 | 178.3 | 173.4 | -97.1 | 0 | 0 | 0 | 112.7 | F46 L111 T115 I116 K117 K122 P123 S127 L128 V130 | F46-Y119 AromaticContact CE1-CD1 3.95Å; F46-Y119 HydrophobicContact CE1-CD1 3.95Å; F46-Y119 HydrophobicContact CE1-CE1 4.08Å; F46-Y119 HydrophobicContact CZ-CD1 4.13Å; F46-Y119 AromaticContact CZ-CE1 3.98Å; F46-Y119 HydrophobicContact CZ-CE1 3.98Å; L111-Y119 HydrophobicContact CD1-CG 4.35Å; L111-Y119 HydrophobicContact CD2-CD1 4.43Å; L111-Y119 HydrophobicContact CD2-CD2 3.59Å; L111-Y119 HydrophobicContact CD2-CE2 3.88Å; L111-Y119 HydrophobicContact CD2-CG 3.88Å; T115-Y119 VanDerWaalsContact O-CB 3.31Å; T115-Y119 WeakPolarHBondContact O-CB 3.35Å; T115-Y119 PolarHBondContact O-N 3.46Å; I116-Y119 WeakPolarHBondContact O-CB 3.47Å; I116-Y119 PolarHBondContact O-N 3.31Å; K117-Y119 PolarHBondContact O-N 3.45Å; Y119-K122 CarbonylContact O-C 3.42Å; Y119-P123 VanDerWaalsContact O-CA 3.24Å; Y119-P123 WeakPolarHBondContact O-CA 3.44Å; Y119-P123 WeakPolarHBondContact O-CD 3.5Å; Y119-S127 WeakPolarHBondContact CE2-OG 3.49Å; Y119-L128 PolarHBondContact OH-O 3.43Å; Y119-V130 HydrophobicContact CE1-CG2 4.25Å |
| 120 | Y | 91 | Very high | 88 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 26% | 0.263 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -77.6 | -23.7 | 179.7 | 65.5 | -115.9 | 0 | 0 | 0 | 113.5 | F46 I116 K117 | F46-Y120 HydrophobicContact CB-CD1 4.07Å; F46-Y120 HydrophobicContact CB-CE1 4.34Å; F46-Y120 AromaticContact CD1-CD1 3.73Å; F46-Y120 HydrophobicContact CD1-CD1 3.73Å; F46-Y120 HydrophobicContact CD1-CG 4.4Å; F46-Y120 HydrophobicContact CD2-CD1 4.1Å; F46-Y120 HydrophobicContact CD2-CG 4.13Å; F46-Y120 HydrophobicContact CE1-CD1 4.2Å; F46-Y120 VanDerWaalsContact CE2-CB 3.45Å; F46-Y120 HydrophobicContact CE2-CG 4.31Å; F46-Y120 AromaticContact CG-CD1 3.67Å; F46-Y120 HydrophobicContact CG-CD1 3.67Å; F46-Y120 HydrophobicContact CG-CE1 4.42Å; F46-Y120 HydrophobicContact CG-CG 4.18Å; I116-Y120 HydrophobicContact CG2-CD1 3.98Å; I116-Y120 HydrophobicContact CG2-CE1 4.13Å; I116-Y120 WeakPolarHBondContact O-CD1 3.24Å; I116-Y120 PolarHBondContact O-N 3.08Å; K117-Y120 HydrophobicContact CB-CE1 4.24Å; K117-Y120 HydrophobicContact CG-CE2 4.4Å; K117-Y120 PolarHBondContact O-N 3.15Å |
| 121 | L | 92.6 | Very high | 88.2 | Confident | 121 Ų | 121 | 81.6 Ų | 81.6 | 63% | 0.634 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -73 | -38.2 | 173.1 | -72.2 | 174.1 | 0 | 0 | 0 | 112.1 | K117 | K117-L121 HydrophobicContact CG-CD1 3.82Å; K117-L121 WeakPolarHBondContact O-CB 3.04Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 2.7Å; K117-L121 VanDerWaalsContact O-N 3.09Å |
| 122 | K | 89.3 | Confident | 88.5 | Confident | 170 Ų | 170 | 85.6 Ų | 85.6 | 74% | 0.739 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -145.6 | 78.2 | -178.4 | -165.4 | 175.8 | -177.6 | 177.3 | 0 | 111.5 | E118 Y119 P124 | E118-K122 PolarHBondContact O-N 3.16Å; Y119-K122 CarbonylContact O-C 3.42Å; K122-P124 WeakPolarHBondContact O-CD 3.38Å |
| 123 | P | 83.9 | Confident | 89 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 51% | 0.506 | 40% | 0.395 | S | S | . | . | trans | -65.3 | 128.5 | -179 | 24.5 | -32.7 | 0 | 0 | 0 | 110.8 | Y119 | Y119-P123 VanDerWaalsContact O-CA 3.24Å; Y119-P123 WeakPolarHBondContact O-CA 3.44Å; Y119-P123 WeakPolarHBondContact O-CD 3.5Å | ||
| 124 | P | 84.1 | Confident | 89.5 | Confident | 32 Ų | 32 | 77.4 Ų | 77.4 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | trans | -62.2 | 143.5 | 175.3 | -15.8 | 24.3 | 0 | 0 | 0 | 111.9 | K112 L114 K122 K126 S127 | K112-P124 HydrophobicContact CD-CB 4.41Å; K112-P124 HydrophobicContact CD-CG 4.39Å; L114-P124 HydrophobicContact CD1-CG 3.73Å; K122-P124 WeakPolarHBondContact O-CD 3.38Å; P124-K126 PolarHBondContact O-N 2.92Å; P124-S127 PolarHBondContact O-N 2.94Å; P124-S127 PolarHBondContact O-OG 3.42Å; P124-S127 VanDerWaalsContact O-OG 3.08Å | ||
| 125 | R | 81.8 | Confident | 89.7 | Confident | 262 Ų | 262 | 79.3 Ų | 79.3 | 99% | 0.989 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -19.8 | 179.2 | -73.3 | -175.4 | 177 | 148.3 | -1.1 | 115.9 | ||
| 126 | K | 82.6 | Confident | 89.9 | Confident | 187 Ų | 187 | 81.6 Ų | 81.6 | 81% | 0.813 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.4 | 63.9 | 177.2 | -65.8 | -174.6 | -179.6 | -177.6 | 0 | 109.1 | K112 P124 | K112-K126 VanDerWaalsContact CE-O 3.25Å; K112-K126 WeakPolarHBondContact CE-O 3.49Å; K112-K126 PolarHBondContact NZ-O 3.43Å; P124-K126 PolarHBondContact O-N 2.92Å |
| 127 | S | 85 | Confident | 90 | Very high | 36 Ų | 36 | 82 Ų | 82 | 25% | 0.252 | 40% | 0.398 | S | S | . | . | trans | -108.1 | 154.1 | 175.1 | 59.7 | 0 | 0 | 0 | 0 | 111.4 | Y119 P124 | Y119-S127 WeakPolarHBondContact CE2-OG 3.49Å; P124-S127 PolarHBondContact O-N 2.94Å; P124-S127 PolarHBondContact O-OG 3.42Å; P124-S127 VanDerWaalsContact O-OG 3.08Å | ||
| 128 | L | 87.8 | Confident | 89.9 | Confident | 40 Ų | 40 | 81 Ų | 81 | 21% | 0.209 | 40% | 0.397 | C | S | . | . | trans | -70.6 | 142.5 | 171.3 | -64.7 | 173.5 | 0 | 0 | 0 | 109.2 | L110 Y119 Q132 K136 | L110-L128 HydrophobicContact CB-CD1 4.32Å; L110-L128 HydrophobicContact CD2-CD1 3.75Å; Y119-L128 PolarHBondContact OH-O 3.43Å; L128-Q132 HydrophobicContact CB-CB 4.04Å; L128-Q132 HydrophobicContact CD2-CB 4.16Å; L128-K136 HydrophobicContact CD1-CD 4.02Å | ||
| 129 | T | 91.5 | Very high | 89.8 | Confident | 68 Ų | 68 | 80.2 Ų | 80.2 | 42% | 0.417 | 39% | 0.391 | S | S | . | . | trans | -68.6 | 161.6 | 169.6 | 61 | 0 | 0 | 0 | 0 | 110.6 | L131 Q132 C133 | T129-L131 VanDerWaalsContact C-N 3.27Å; T129-L131 PolarHBondContact O-N 3.03Å; T129-Q132 WeakPolarHBondContact O-CB 3.37Å; T129-Q132 PolarHBondContact O-N 3.44Å; T129-Q132 VanDerWaalsContact OG1-CG 3.25Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.42Å; T129-Q132 PolarHBondContact OG1-N 3.31Å; T129-Q132 PolarHBondContact OG1-OE1 3.13Å; T129-C133 PolarHBondContact O-N 3.4Å; T129-C133 PolarHBondContact O-SG 2.7Å | ||
| 130 | V | 92 | Very high | 89.5 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.024 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54.7 | -44.2 | 177 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | F46 V47 Q50 W82 Y119 Q132 C133 L134 | F46-V130 HydrophobicContact CE1-CG2 3.64Å; F46-V130 HydrophobicContact CZ-CG2 4.06Å; V47-V130 HydrophobicContact CG1-CG1 3.94Å; Q50-V130 HydrophobicContact CB-CB 3.73Å; Q50-V130 HydrophobicContact CB-CG1 3.96Å; Q50-V130 HydrophobicContact CB-CG2 3.75Å; Q50-V130 HydrophobicContact CG-CG2 4.02Å; W82-V130 HydrophobicContact CH2-CB 4.41Å; W82-V130 HydrophobicContact CH2-CG1 3.95Å; W82-V130 HydrophobicContact CH2-CG2 4.49Å; W82-V130 HydrophobicContact CZ3-CG1 3.8Å; Y119-V130 HydrophobicContact CE1-CG2 4.25Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 3.44Å; V130-C133 WeakPolarHBondContact O-CB 3.29Å; V130-C133 PolarHBondContact O-N 2.76Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 WeakPolarHBondContact O-CG 3.34Å; V130-L134 PolarHBondContact O-N 3.43Å |
| 131 | L | 93.5 | Very high | 88.8 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -41.1 | 175.7 | -72.5 | 173 | 0 | 0 | 0 | 112.5 | T129 L134 S135 | T129-L131 VanDerWaalsContact C-N 3.27Å; T129-L131 PolarHBondContact O-N 3.03Å; L131-L134 PolarHBondContact O-N 2.93Å; L131-S135 PolarHBondContact O-N 2.75Å; L131-S135 PolarHBondContact O-OG 2.68Å |
| 132 | Q | 93.4 | Very high | 88.1 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 41% | 0.411 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 176.6 | -73.3 | 170.3 | -24.5 | 0 | 0 | 113 | L128 T129 V130 S135 K136 | L128-Q132 HydrophobicContact CB-CB 4.04Å; L128-Q132 HydrophobicContact CD2-CB 4.16Å; T129-Q132 WeakPolarHBondContact O-CB 3.37Å; T129-Q132 PolarHBondContact O-N 3.44Å; T129-Q132 VanDerWaalsContact OG1-CG 3.25Å; T129-Q132 WeakPolarHBondContact OG1-CG 3.42Å; T129-Q132 PolarHBondContact OG1-N 3.31Å; T129-Q132 PolarHBondContact OG1-OE1 3.13Å; V130-Q132 VanDerWaalsContact C-N 3.34Å; V130-Q132 PolarHBondContact O-N 3.44Å; Q132-S135 WeakPolarHBondContact CA-OG 3.39Å; Q132-S135 PolarHBondContact O-OG 3.42Å; Q132-K136 WeakPolarHBondContact O-CB 3.26Å; Q132-K136 VanDerWaalsContact O-CG 3.31Å; Q132-K136 WeakPolarHBondContact O-CG 3.28Å; Q132-K136 PolarHBondContact O-N 3.32Å |
| 133 | C | 93.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -47.4 | 172.1 | -68.1 | 0 | 0 | 0 | 0 | 110.5 | W82 I106 T129 V130 S135 K136 C137 | W82-C133 HydrophobicContact CH2-CB 3.54Å; W82-C133 HydrophobicContact CZ2-CB 3.86Å; W82-C133 HydrophobicContact CZ3-CB 4.34Å; I106-C133 VanDerWaalsContact CD1-O 3.23Å; I106-C133 WeakPolarHBondContact CD1-O 3.34Å; I106-C133 HydrophobicContact CG2-CB 4.45Å; T129-C133 PolarHBondContact O-N 3.4Å; T129-C133 PolarHBondContact O-SG 2.7Å; V130-C133 WeakPolarHBondContact O-CB 3.29Å; V130-C133 PolarHBondContact O-N 2.76Å; C133-S135 VanDerWaalsContact C-N 3.35Å; C133-S135 PolarHBondContact O-N 2.8Å; C133-K136 CarbonylContact O-C 3.35Å; C133-K136 WeakPolarHBondContact O-CA 3.19Å; C133-K136 PolarHBondContact O-N 3.23Å; C133-C137 PolarHBondContact O-N 3.09Å; C133-C137 VanDerWaalsContact O-N 3.17Å |
| 134 | L | 94.1 | Very high | 87.3 | Confident | 12 Ų | 12 | 81.9 Ų | 81.9 | 6% | 0.063 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 178.3 | -70.1 | 168.2 | 0 | 0 | 0 | 112.3 | V36 S51 L53 I80 W82 I106 V130 L131 K136 C137 | V36-L134 HydrophobicContact CG1-CD2 4.39Å; V36-L134 HydrophobicContact CG2-CD2 3.75Å; S51-L134 VanDerWaalsContact CB-CD1 3.41Å; L53-L134 HydrophobicContact CD1-CD1 4.08Å; I80-L134 HydrophobicContact CD1-CD2 4.22Å; I80-L134 HydrophobicContact CG2-CD2 4.27Å; W82-L134 HydrophobicContact CE3-CD2 4Å; W82-L134 HydrophobicContact CZ3-CD2 3.88Å; W82-L134 HydrophobicContact CZ3-CG 3.9Å; I106-L134 HydrophobicContact CD1-CD2 4.12Å; V130-L134 HydrophobicContact CG1-CD1 4Å; V130-L134 WeakPolarHBondContact O-CG 3.34Å; V130-L134 PolarHBondContact O-N 3.43Å; L131-L134 PolarHBondContact O-N 2.93Å; L134-K136 PolarHBondContact O-N 2.85Å; L134-C137 WeakPolarHBondContact O-CB 3.29Å; L134-C137 PolarHBondContact O-N 3.44Å; L134-C137 PolarHBondContact O-SG 2.87Å |
| 135 | S | 93 | Very high | 87.2 | Confident | 93 Ų | 93 | 85.6 Ų | 85.6 | 65% | 0.65 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -65.6 | -22.4 | 174.6 | 69.2 | 0 | 0 | 0 | 0 | 113 | L131 Q132 C133 | L131-S135 PolarHBondContact O-N 2.75Å; L131-S135 PolarHBondContact O-OG 2.68Å; Q132-S135 WeakPolarHBondContact CA-OG 3.39Å; Q132-S135 PolarHBondContact O-OG 3.42Å; C133-S135 VanDerWaalsContact C-N 3.35Å; C133-S135 PolarHBondContact O-N 2.8Å |
| 136 | K | 93.6 | Very high | 87.3 | Confident | 107 Ų | 107 | 76.3 Ų | 76.3 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 15 | 178.9 | -68.8 | -178.8 | 177.8 | -175.6 | 0 | 113.2 | L110 L128 Q132 C133 L134 L138 | L110-K136 HydrophobicContact CD1-CB 4.06Å; L110-K136 HydrophobicContact CD2-CB 3.96Å; L110-K136 HydrophobicContact CD2-CD 3.93Å; L128-K136 HydrophobicContact CD1-CD 4.02Å; Q132-K136 WeakPolarHBondContact O-CB 3.26Å; Q132-K136 VanDerWaalsContact O-CG 3.31Å; Q132-K136 WeakPolarHBondContact O-CG 3.28Å; Q132-K136 PolarHBondContact O-N 3.32Å; C133-K136 CarbonylContact O-C 3.35Å; C133-K136 WeakPolarHBondContact O-CA 3.19Å; C133-K136 PolarHBondContact O-N 3.23Å; L134-K136 PolarHBondContact O-N 2.85Å; K136-L138 PolarHBondContact O-N 2.79Å |
| 137 | C | 93 | Very high | 87.4 | Confident | 18 Ų | 18 | 69.4 Ų | 69.4 | 12% | 0.122 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 135.1 | 174.2 | 67.8 | 0 | 0 | 0 | 0 | 110.3 | K78 I80 I106 C133 L134 | K78-C137 PolarHBondContact NZ-SG 3.41Å; I80-C137 HydrophobicContact CG2-CB 4.08Å; I106-C137 HydrophobicContact CD1-CB 3.62Å; I106-C137 HydrophobicContact CG1-CB 4.46Å; C133-C137 PolarHBondContact O-N 3.09Å; C133-C137 VanDerWaalsContact O-N 3.17Å; L134-C137 WeakPolarHBondContact O-CB 3.29Å; L134-C137 PolarHBondContact O-N 3.44Å; L134-C137 PolarHBondContact O-SG 2.87Å |
| 138 | L | 90.8 | Very high | 87.5 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 53% | 0.529 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 151 | 178.6 | -61.8 | 177.2 | 0 | 0 | 0 | 109.5 | Y104 Y105 K136 | Y104-L138 CarbonylContact C-O 3.51Å; Y104-L138 WeakPolarHBondContact CA-O 3.4Å; Y105-L138 PolarHBondContact N-O 2.66Å; Y105-L138 PolarHBondContact O-N 2.81Å; K136-L138 PolarHBondContact O-N 2.79Å |
| 139 | R | 88.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 29% | 0.294 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 134.8 | 167.8 | -163.5 | 173.8 | 161.5 | -173.9 | -26.2 | 108.9 | P100 E101 Y104 F141 | P100-R139 PolarHBondContact O-NE 3.14Å; E101-R139 IonicContact OE1-CZ 3.81Å; E101-R139 IonicContact OE1-NH1 3.02Å; E101-R139 IonicContact OE1-NH2 2.73Å; E101-R139 PolarHBondContact OE1-NH2 3.39Å; E101-R139 IonicContact OE2-CZ 2.8Å; E101-R139 IonicContact OE2-NH1 3.29Å; E101-R139 PolarHBondContact OE2-NH1 2.94Å; E101-R139 IonicContact OE2-NH2 3.23Å; E101-R139 PolarHBondContact OE2-NH2 2.73Å; Y104-R139 HydrophobicContact CD1-CB 4.45Å; Y104-R139 HydrophobicContact CE1-CB 4.35Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 WeakPolarHBondContact CD-O 3.45Å; R139-F141 WeakPolarHBondContact CG-O 3.47Å; R139-F141 PolarHBondContact NE-O 3.48Å; R139-F141 PolarHBondContact O-N 2.75Å |
| 140 | M | 84.1 | Confident | 86.8 | Confident | 38 Ų | 38 | 78.5 Ų | 78.5 | 19% | 0.187 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -60.9 | -40.6 | -175 | -90.5 | -68.2 | -58.1 | 0 | 0 | 112.9 | V91 K92 M95 S103 Y105 | V91-M140 HydrophobicContact CB-CE 4.5Å; V91-M140 HydrophobicContact CG1-CE 3.74Å; V91-M140 HydrophobicContact CG1-CG 4.15Å; V91-M140 HydrophobicContact CG1-SD 3.55Å; V91-M140 VanDerWaalsContact CG1-SD 3.55Å; K92-M140 HydrophobicContact CG-CE 4.29Å; M95-M140 HydrophobicContact CE-CE 4.4Å; M95-M140 HydrophobicContact CG-CB 4.45Å; M95-M140 HydrophobicContact SD-CB 3.6Å; M95-M140 HydrophobicContact SD-CE 3.73Å; M95-M140 HydrophobicContact SD-CG 4.25Å; S103-M140 WeakPolarHBondContact O-CB 3.49Å; S103-M140 PolarHBondContact O-N 3.24Å; Y105-M140 WeakPolarHBondContact CB-SD 3.22Å; Y105-M140 HydrophobicContact CD1-SD 4.49Å; Y105-M140 HydrophobicContact CD2-SD 4.32Å; Y105-M140 HydrophobicContact CG-SD 3.85Å |
| 141 | F | 76.8 | Confident | 86.7 | Confident | 66 Ų | 66 | 81.9 Ų | 81.9 | 29% | 0.289 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -117.3 | 139.6 | 170.6 | -83.3 | -65.7 | 0 | 0 | 0 | 110.6 | M95 P100 R139 | M95-F141 HydrophobicContact CE-CD2 3.6Å; M95-F141 HydrophobicContact CE-CE2 2.98Å; M95-F141 HydrophobicContact CE-CZ 3.74Å; M95-F141 HydrophobicContact CG-CD2 4.33Å; M95-F141 HydrophobicContact SD-CD2 3.19Å; M95-F141 WeakPolarHBondContact SD-CD2 3.15Å; M95-F141 HydrophobicContact SD-CE2 3.34Å; M95-F141 WeakPolarHBondContact SD-CE2 3.32Å; M95-F141 HydrophobicContact SD-CG 4.24Å; M95-F141 HydrophobicContact SD-CZ 4.37Å; P100-F141 HydrophobicContact CB-CB 4.11Å; P100-F141 HydrophobicContact CB-CD2 3.82Å; P100-F141 HydrophobicContact CB-CG 4.44Å; R139-F141 VanDerWaalsContact C-N 3.32Å; R139-F141 WeakPolarHBondContact CD-O 3.45Å; R139-F141 WeakPolarHBondContact CG-O 3.47Å; R139-F141 PolarHBondContact NE-O 3.48Å; R139-F141 PolarHBondContact O-N 2.75Å |
| 142 | H | 78.9 | Confident | 86.5 | Confident | 104 Ų | 104 | 84 Ų | 84 | 48% | 0.481 | 42% | 0.424 | S | S | . | . | trans | -83.4 | 134.3 | 166.3 | -166.9 | -101.1 | 0 | 0 | 0 | 108.8 | Y144 I145 | H142-Y144 AromaticContact CE1-CD2 3.49Å; H142-Y144 VanDerWaalsContact CE1-CD2 3.49Å; H142-Y144 WeakPolarHBondContact CE1-CD2 3.46Å; H142-Y144 AromaticContact ND1-CD2 3.89Å; H142-Y144 PolarHBondContact ND1-N 3.38Å; H142-Y144 PolarHBondContact O-N 3.32Å; H142-I145 HydrophobicContact CB-CB 4.26Å; H142-I145 HydrophobicContact CB-CD1 3.77Å; H142-I145 HydrophobicContact CB-CG1 3.91Å; H142-I145 PolarHBondContact O-N 3Å | ||
| 143 | P | 74.8 | Confident | 86.2 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -20.5 | -175.7 | 23.7 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 144 | Y | 79.8 | Confident | 85.7 | Confident | 204 Ų | 204 | 90.4 Ų | 90.4 | 80% | 0.8 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 8.2 | 177.6 | -60.3 | -72.3 | 0 | 0 | 0 | 114.4 | H142 | H142-Y144 AromaticContact CE1-CD2 3.49Å; H142-Y144 VanDerWaalsContact CE1-CD2 3.49Å; H142-Y144 WeakPolarHBondContact CE1-CD2 3.46Å; H142-Y144 AromaticContact ND1-CD2 3.89Å; H142-Y144 PolarHBondContact ND1-N 3.38Å; H142-Y144 PolarHBondContact O-N 3.32Å |
| 145 | I | 83.4 | Confident | 85.3 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | trans | -118.9 | 122 | 179.6 | -59.4 | 178.2 | 0 | 0 | 0 | 108.7 | H142 | H142-I145 HydrophobicContact CB-CB 4.26Å; H142-I145 HydrophobicContact CB-CD1 3.77Å; H142-I145 HydrophobicContact CB-CG1 3.91Å; H142-I145 PolarHBondContact O-N 3Å | ||
| 146 | S | 83.7 | Confident | 84.8 | Confident | 68 Ų | 68 | 94.3 Ų | 94.3 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | trans | -117.7 | 147.7 | 175.8 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | E150 | S146-E150 VanDerWaalsContact CA-OE2 3.27Å; S146-E150 WeakPolarHBondContact CA-OE2 3.41Å | ||
| 147 | S | 83.8 | Confident | 84 | Confident | 42 Ų | 42 | 91.9 Ų | 91.9 | 29% | 0.294 | 46% | 0.463 | S | S | . | . | trans | -82.1 | 156.5 | 173.3 | 72 | 0 | 0 | 0 | 0 | 111.9 | N149 E150 L151 | S147-N149 PolarHBondContact O-N 3.06Å; S147-N149 VanDerWaalsContact O-N 3.15Å; S147-E150 WeakPolarHBondContact CB-OE1 3.36Å; S147-E150 PolarHBondContact N-OE2 3.43Å; S147-E150 WeakPolarHBondContact O-CB 3.27Å; S147-E150 PolarHBondContact O-N 3.03Å; S147-E150 WeakPolarHBondContact OG-CG 3.47Å; S147-E150 PolarHBondContact OG-N 2.75Å; S147-E150 PolarHBondContact OG-OE1 3.25Å; S147-L151 WeakPolarHBondContact O-CG 3.46Å; S147-L151 PolarHBondContact O-N 3.45Å | ||
| 148 | V | 86.9 | Confident | 83.1 | Confident | 127 Ų | 127 | 96 Ų | 96 | 77% | 0.77 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.7 | 175.6 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | L151 R152 | V148-L151 PolarHBondContact O-N 3.18Å; V148-R152 PolarHBondContact O-N 2.95Å |
| 149 | N | 84.1 | Confident | 82.3 | Confident | 113 Ų | 113 | 93.4 Ų | 93.4 | 60% | 0.604 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -38.8 | 177.8 | -75.7 | -34.5 | 0 | 0 | 0 | 112.6 | S147 L151 R152 | S147-N149 PolarHBondContact O-N 3.06Å; S147-N149 VanDerWaalsContact O-N 3.15Å; N149-L151 VanDerWaalsContact C-N 3.33Å; N149-R152 VanDerWaalsContact O-CB 3.24Å; N149-R152 WeakPolarHBondContact O-CB 3.4Å; N149-R152 PolarHBondContact O-N 3.35Å; N149-R152 PolarHBondContact OD1-NH2 3.18Å |
| 150 | E | 82.2 | Confident | 81.7 | Confident | 94 Ų | 94 | 97.3 Ų | 97.3 | 44% | 0.439 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -38.9 | 174.1 | -73.1 | 149.9 | -136.1 | 0 | 0 | 111.4 | S146 S147 R152 | S146-E150 VanDerWaalsContact CA-OE2 3.27Å; S146-E150 WeakPolarHBondContact CA-OE2 3.41Å; S147-E150 WeakPolarHBondContact CB-OE1 3.36Å; S147-E150 PolarHBondContact N-OE2 3.43Å; S147-E150 WeakPolarHBondContact O-CB 3.27Å; S147-E150 PolarHBondContact O-N 3.03Å; S147-E150 WeakPolarHBondContact OG-CG 3.47Å; S147-E150 PolarHBondContact OG-N 2.75Å; S147-E150 PolarHBondContact OG-OE1 3.25Å; E150-R152 PolarHBondContact O-N 3.03Å |
| 151 | L | 88.5 | Confident | 80.7 | Confident | 75 Ų | 75 | 102.6 Ų | 102.6 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -6.6 | 179.1 | -64.1 | 176.6 | 0 | 0 | 0 | 113.5 | S147 V148 N149 K153 S154 V155 | S147-L151 WeakPolarHBondContact O-CG 3.46Å; S147-L151 PolarHBondContact O-N 3.45Å; V148-L151 PolarHBondContact O-N 3.18Å; N149-L151 VanDerWaalsContact C-N 3.33Å; L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.31Å; L151-S154 PolarHBondContact O-N 3.46Å; L151-S154 VanDerWaalsContact O-N 3.11Å; L151-V155 WeakPolarHBondContact O-CG2 2.98Å; L151-V155 PolarHBondContact O-N 3.47Å |
| 152 | R | 90.6 | Very high | 80 | Confident | 145 Ų | 145 | 103.5 Ų | 103.5 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -52.5 | -50.8 | -177 | -174.6 | -178.6 | -63.7 | 170.1 | 2.2 | 111.5 | V148 N149 E150 S154 V155 F156 | V148-R152 PolarHBondContact O-N 2.95Å; N149-R152 VanDerWaalsContact O-CB 3.24Å; N149-R152 WeakPolarHBondContact O-CB 3.4Å; N149-R152 PolarHBondContact O-N 3.35Å; N149-R152 PolarHBondContact OD1-NH2 3.18Å; E150-R152 PolarHBondContact O-N 3.03Å; R152-S154 PolarHBondContact O-N 3.24Å; R152-V155 PolarHBondContact O-N 2.98Å; R152-F156 HydrophobicContact CG-CD2 3.89Å; R152-F156 HydrophobicContact CG-CE2 3.71Å; R152-F156 WeakPolarHBondContact O-CD2 3.42Å; R152-F156 PolarHBondContact O-N 3.15Å |
| 153 | K | 86.3 | Confident | 78.9 | Confident | 153 Ų | 153 | 99.5 Ų | 99.5 | 67% | 0.665 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -47.7 | 179.5 | -175.3 | -178.4 | 174.8 | -176.2 | 0 | 111.2 | L151 V155 F156 D157 | L151-K153 VanDerWaalsContact C-N 3.34Å; L151-K153 PolarHBondContact O-N 3.31Å; K153-V155 VanDerWaalsContact C-N 3.29Å; K153-V155 PolarHBondContact O-N 3.14Å; K153-F156 PolarHBondContact O-N 3.13Å; K153-F156 VanDerWaalsContact O-N 3.11Å; K153-D157 PolarHBondContact O-N 2.95Å |
| 154 | S | 82.9 | Confident | 78 | Confident | 69 Ų | 69 | 99.3 Ų | 99.3 | 48% | 0.483 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 178.6 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | L151 R152 Y158 | L151-S154 PolarHBondContact O-N 3.46Å; L151-S154 VanDerWaalsContact O-N 3.11Å; R152-S154 PolarHBondContact O-N 3.24Å; S154-Y158 VanDerWaalsContact O-CB 3.22Å; S154-Y158 WeakPolarHBondContact O-CB 3.47Å; S154-Y158 PolarHBondContact O-N 3.42Å |
| 155 | V | 85.1 | Confident | 77 | Confident | 80 Ų | 80 | 94.7 Ų | 94.7 | 49% | 0.485 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 174.8 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L151 R152 K153 Y158 V159 | L151-V155 WeakPolarHBondContact O-CG2 2.98Å; L151-V155 PolarHBondContact O-N 3.47Å; R152-V155 PolarHBondContact O-N 2.98Å; K153-V155 VanDerWaalsContact C-N 3.29Å; K153-V155 PolarHBondContact O-N 3.14Å; V155-Y158 WeakPolarHBondContact O-CB 3.48Å; V155-Y158 PolarHBondContact O-N 3.15Å; V155-V159 HydrophobicContact CG1-CG2 4.39Å; V155-V159 WeakPolarHBondContact O-CB 3.29Å; V155-V159 VanDerWaalsContact O-CG2 3.23Å; V155-V159 WeakPolarHBondContact O-CG2 3.39Å; V155-V159 PolarHBondContact O-N 3.33Å |
| 156 | F | 84 | Confident | 76.6 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 175.2 | -84.9 | -112 | 0 | 0 | 0 | 111.3 | R152 K153 Y158 V159 Y160 | R152-F156 HydrophobicContact CG-CD2 3.89Å; R152-F156 HydrophobicContact CG-CE2 3.71Å; R152-F156 WeakPolarHBondContact O-CD2 3.42Å; R152-F156 PolarHBondContact O-N 3.15Å; K153-F156 PolarHBondContact O-N 3.13Å; K153-F156 VanDerWaalsContact O-N 3.11Å; F156-Y158 VanDerWaalsContact C-N 3.3Å; F156-Y158 PolarHBondContact O-N 3.06Å; F156-V159 PolarHBondContact O-N 2.92Å; F156-Y160 HydrophobicContact CB-CD2 4.28Å; F156-Y160 AromaticContact CD1-CD2 3.95Å; F156-Y160 HydrophobicContact CD1-CD2 3.95Å; F156-Y160 AromaticContact CD1-CE2 3.58Å; F156-Y160 HydrophobicContact CD1-CE2 3.58Å; F156-Y160 HydrophobicContact CE1-CE2 4.03Å; F156-Y160 HydrophobicContact CG-CD2 4.44Å; F156-Y160 HydrophobicContact CG-CE2 4.29Å; F156-Y160 WeakPolarHBondContact O-CB 3.25Å; F156-Y160 VanDerWaalsContact O-CD2 3.28Å; F156-Y160 WeakPolarHBondContact O-CD2 3.27Å; F156-Y160 PolarHBondContact O-N 2.9Å |
| 157 | D | 76.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 92.7 Ų | 92.7 | 30% | 0.299 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 173.7 | -67.2 | -21.7 | 0 | 0 | 0 | 110.9 | K153 V159 H161 Q162 | K153-D157 PolarHBondContact O-N 2.95Å; D157-V159 VanDerWaalsContact C-N 3.35Å; D157-V159 PolarHBondContact O-N 3.07Å; D157-H161 CarbonylContact O-C 3.56Å; D157-H161 WeakPolarHBondContact O-CA 3.24Å; D157-H161 WeakPolarHBondContact O-CB 3.19Å; D157-H161 PolarHBondContact O-N 2.67Å; D157-H161 IonicContact OD1-CD2 3.3Å; D157-H161 PolarHBondContact OD1-CD2 3.05Å; D157-Q162 PolarHBondContact O-N 3.13Å |
| 158 | Y | 72.9 | Confident | 76.6 | Confident | 103 Ų | 103 | 93.5 Ų | 93.5 | 40% | 0.404 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 173.8 | 179.6 | -94.2 | 0 | 0 | 0 | 112.5 | S154 V155 F156 L164 | S154-Y158 VanDerWaalsContact O-CB 3.22Å; S154-Y158 WeakPolarHBondContact O-CB 3.47Å; S154-Y158 PolarHBondContact O-N 3.42Å; V155-Y158 WeakPolarHBondContact O-CB 3.48Å; V155-Y158 PolarHBondContact O-N 3.15Å; F156-Y158 VanDerWaalsContact C-N 3.3Å; F156-Y158 PolarHBondContact O-N 3.06Å; Y158-L164 HydrophobicContact CD1-CD2 4.32Å; Y158-L164 HydrophobicContact CE1-CD2 3.95Å |
| 159 | V | 74.7 | Confident | 76.7 | Confident | 48 Ų | 48 | 87.5 Ų | 87.5 | 29% | 0.291 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.8 | -46.4 | -178.6 | 167.6 | 0 | 0 | 0 | 0 | 111.9 | V155 F156 D157 L164 | V155-V159 HydrophobicContact CG1-CG2 4.39Å; V155-V159 WeakPolarHBondContact O-CB 3.29Å; V155-V159 VanDerWaalsContact O-CG2 3.23Å; V155-V159 WeakPolarHBondContact O-CG2 3.39Å; V155-V159 PolarHBondContact O-N 3.33Å; F156-V159 PolarHBondContact O-N 2.92Å; D157-V159 VanDerWaalsContact C-N 3.35Å; D157-V159 PolarHBondContact O-N 3.07Å; V159-L164 HydrophobicContact CB-CD1 3.93Å; V159-L164 HydrophobicContact CG1-CD1 3.61Å; V159-L164 HydrophobicContact CG2-CD1 4.2Å; V159-L164 WeakPolarHBondContact O-CD1 3.48Å; V159-L164 WeakPolarHBondContact O-CG 3.29Å |
| 160 | Y | 75.2 | Confident | 76.9 | Confident | 160 Ų | 160 | 83.8 Ų | 83.8 | 63% | 0.627 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -102.8 | -28.1 | -168.6 | -62.8 | -69.6 | 0 | 0 | 0 | 114 | F156 | F156-Y160 HydrophobicContact CB-CD2 4.28Å; F156-Y160 AromaticContact CD1-CD2 3.95Å; F156-Y160 HydrophobicContact CD1-CD2 3.95Å; F156-Y160 AromaticContact CD1-CE2 3.58Å; F156-Y160 HydrophobicContact CD1-CE2 3.58Å; F156-Y160 HydrophobicContact CE1-CE2 4.03Å; F156-Y160 HydrophobicContact CG-CD2 4.44Å; F156-Y160 HydrophobicContact CG-CE2 4.29Å; F156-Y160 WeakPolarHBondContact O-CB 3.25Å; F156-Y160 VanDerWaalsContact O-CD2 3.28Å; F156-Y160 WeakPolarHBondContact O-CD2 3.27Å; F156-Y160 PolarHBondContact O-N 2.9Å |
| 161 | H | 63.7 | Low | 77.3 | Confident | 148 Ų | 148 | 79.4 Ų | 79.4 | 69% | 0.685 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | -25.1 | -168.4 | -61.3 | -54.5 | 0 | 0 | 0 | 114.4 | D157 G163 | D157-H161 CarbonylContact O-C 3.56Å; D157-H161 WeakPolarHBondContact O-CA 3.24Å; D157-H161 WeakPolarHBondContact O-CB 3.19Å; D157-H161 PolarHBondContact O-N 2.67Å; D157-H161 IonicContact OD1-CD2 3.3Å; D157-H161 PolarHBondContact OD1-CD2 3.05Å; H161-G163 PolarHBondContact O-N 3.25Å |
| 162 | Q | 61.4 | Low | 77.4 | Confident | 85 Ų | 85 | 81.2 Ų | 81.2 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 8.3 | 171.7 | -65.8 | -167.6 | 3.9 | 0 | 0 | 113.6 | D157 R400 | D157-Q162 PolarHBondContact O-N 3.13Å; Q162-R400 PolarHBondContact O-NH2 3.25Å |
| 163 | G | 55.9 | Low | 77.2 | Confident | 21 Ų | 21 | 79.2 Ų | 79.2 | 22% | 0.216 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 68.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H161 C165 Q166 | H161-G163 PolarHBondContact O-N 3.25Å; G163-C165 PolarHBondContact O-N 3.49Å; G163-Q166 VanDerWaalsContact CA-O 3.27Å; G163-Q166 WeakPolarHBondContact CA-O 3.12Å; G163-Q166 CarbonylContact O-C 3.4Å; G163-Q166 PolarHBondContact O-N 3.02Å |
| 164 | L | 56.5 | Low | 77.2 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 40% | 0.403 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -43.9 | -40.9 | 175 | -85.6 | 178.4 | 0 | 0 | 0 | 112.8 | Y158 V159 | Y158-L164 HydrophobicContact CD1-CD2 4.32Å; Y158-L164 HydrophobicContact CE1-CD2 3.95Å; V159-L164 HydrophobicContact CB-CD1 3.93Å; V159-L164 HydrophobicContact CG1-CD1 3.61Å; V159-L164 HydrophobicContact CG2-CD1 4.2Å; V159-L164 WeakPolarHBondContact O-CD1 3.48Å; V159-L164 WeakPolarHBondContact O-CG 3.29Å |
| 165 | C | 59.8 | Low | 77.3 | Confident | 108 Ų | 108 | 70.2 Ų | 70.2 | 73% | 0.73 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -90.1 | -32.8 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 113.3 | G163 | G163-C165 PolarHBondContact O-N 3.49Š|
| 166 | Q | 73.5 | Confident | 77.2 | Confident | 126 Ų | 126 | 68.2 Ų | 68.2 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | trans | -146.9 | 123.1 | -166.9 | -69.8 | -177.8 | 0.3 | 0 | 0 | 111.3 | G163 G182 | G163-Q166 VanDerWaalsContact CA-O 3.27Å; G163-Q166 WeakPolarHBondContact CA-O 3.12Å; G163-Q166 CarbonylContact O-C 3.4Å; G163-Q166 PolarHBondContact O-N 3.02Å; Q166-G182 CarbonylContact C-O 3.56Å; Q166-G182 WeakPolarHBondContact CA-O 2.99Å | ||
| 167 | G | 82.6 | Confident | 77.2 | Confident | 9 Ų | 9 | 63.1 Ų | 63.1 | 9% | 0.093 | 32% | 0.32 | C | S | . | . | trans | -59.3 | 166.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A169 Q170 G182 L184 R185 | G167-A169 PolarHBondContact O-N 2.9Å; G167-Q170 PolarHBondContact O-NE2 2.94Å; G167-G182 PolarHBondContact N-O 2.81Å; G167-L184 CarbonylContact C-O 3.44Å; G167-L184 WeakPolarHBondContact CA-O 3.2Å; G167-R185 VanDerWaalsContact CA-CG 3.48Å | ||
| 168 | F | 86 | Confident | 77.6 | Confident | 58 Ų | 58 | 62 Ų | 62 | 25% | 0.254 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -62.6 | -28.1 | -174.1 | 76.8 | -91.5 | 0 | 0 | 0 | 113.1 | L184 V219 R295 H337 | F168-L184 HydrophobicContact CD1-CB 4.27Å; F168-L184 WeakPolarHBondContact CD1-O 3.5Å; F168-L184 HydrophobicContact CE1-CB 3.67Å; F168-L184 HydrophobicContact CZ-CB 3.91Å; F168-L184 HydrophobicContact CZ-CD1 4.36Å; F168-L184 PolarHBondContact N-O 3.1Å; F168-V219 HydrophobicContact CE2-CG1 3.88Å; F168-V219 HydrophobicContact CE2-CG2 4.04Å; F168-V219 HydrophobicContact CZ-CG1 4.32Å; F168-R295 HydrophobicContact CE2-CB 3.63Å; F168-R295 HydrophobicContact CE2-CG 4.48Å; F168-R295 HydrophobicContact CZ-CB 3.77Å; F168-H337 HydrophobicContact CE1-CB 4.13Å; F168-H337 HydrophobicContact CZ-CB 4.43Å |
| 169 | A | 88.9 | Confident | 77.9 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.008 | 32% | 0.322 | C | S | . | . | B | Isolated β-bridge | trans | -125.9 | 129.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G167 G183 L184 L211 V219 | G167-A169 PolarHBondContact O-N 2.9Å; A169-G183 CarbonylContact O-C 3.59Å; A169-G183 WeakPolarHBondContact O-CA 3.22Å; A169-L184 HydrophobicContact CB-CB 4.14Å; A169-L184 PolarHBondContact N-O 2.78Å; A169-L184 PolarHBondContact O-N 3.41Å; A169-L211 HydrophobicContact CB-CD2 3.82Å; A169-V219 HydrophobicContact CB-CG2 3.38Å |
| 170 | Q | 88.9 | Confident | 78 | Confident | 35 Ų | 35 | 59.6 Ų | 59.6 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | trans | -109.9 | 151.4 | 177 | -60.3 | -59.5 | -48.5 | 0 | 0 | 108.6 | G167 N178 G182 Q214 | G167-Q170 PolarHBondContact O-NE2 2.94Å; Q170-N178 WeakPolarHBondContact CA-OD1 3.46Å; Q170-N178 VanDerWaalsContact OE1-CB 3.24Å; Q170-N178 PolarHBondContact OE1-OD1 3.22Å; Q170-N178 VanDerWaalsContact OE1-OD1 3.08Å; Q170-G182 PolarHBondContact NE2-O 3.13Å; Q170-Q214 PolarHBondContact O-NE2 2.96Å; Q170-Q214 PolarHBondContact O-OE1 2.72Å | ||
| 171 | W | 89.9 | Confident | 78.2 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | trans | -81.8 | 143.3 | 171.8 | -66 | -71 | 0 | 0 | 0 | 111.6 | L174 G175 L177 N178 L181 L184 Y207 D210 L211 | W171-L174 VanDerWaalsContact CB-C 3.46Å; W171-L174 HydrophobicContact CB-CB 3.85Å; W171-L174 WeakPolarHBondContact CB-O 3.44Å; W171-L174 HydrophobicContact CG-CB 4.06Å; W171-G175 VanDerWaalsContact O-CA 3.24Å; W171-G175 WeakPolarHBondContact O-CA 3.27Å; W171-L177 HydrophobicContact CD2-CB 3.94Å; W171-L177 HydrophobicContact CD2-CD1 4.13Å; W171-L177 HydrophobicContact CE3-CB 3.29Å; W171-L177 HydrophobicContact CE3-CD1 4.26Å; W171-L177 HydrophobicContact CE3-CG 4.42Å; W171-L177 HydrophobicContact CG-CD1 4.43Å; W171-L177 HydrophobicContact CZ3-CB 3.8Å; W171-N178 PolarHBondContact N-ND2 3.13Å; W171-N178 PolarHBondContact N-OD1 2.9Å; W171-N178 PolarHBondContact O-ND2 2.89Å; W171-L181 HydrophobicContact CH2-CD1 3.98Å; W171-L181 HydrophobicContact CZ3-CB 4.07Å; W171-L181 HydrophobicContact CZ3-CD1 3.69Å; W171-L184 HydrophobicContact CH2-CD2 3.95Å; W171-L184 HydrophobicContact CH2-CG 4.24Å; W171-L184 HydrophobicContact CZ2-CD2 3.71Å; W171-L184 HydrophobicContact CZ2-CG 3.75Å; W171-Y207 AromaticContact CD1-CD2 3.78Å; W171-Y207 HydrophobicContact CD2-CD2 4.36Å; W171-Y207 HydrophobicContact CD2-CE2 4.02Å; W171-Y207 AromaticContact CE2-CD2 3.56Å; W171-Y207 AromaticContact CE2-CE2 2.99Å; W171-Y207 AromaticContact CE2-CZ 3.51Å; W171-Y207 AromaticContact CH2-CE2 3.93Å; W171-Y207 HydrophobicContact CH2-CE2 3.93Å; W171-Y207 HydrophobicContact CZ2-CD2 4.05Å; W171-Y207 HydrophobicContact CZ2-CE1 4.31Å; W171-Y207 AromaticContact CZ2-CE2 3.01Å; W171-Y207 HydrophobicContact CZ2-CE2 3.01Å; W171-Y207 AromaticContact CZ2-CZ 3.19Å; W171-Y207 WeakPolarHBondContact CZ2-OH 3.41Å; W171-Y207 AromaticContact NE1-CD2 3.06Å; W171-Y207 AromaticContact NE1-CE1 3.97Å; W171-Y207 AromaticContact NE1-CE2 2.96Å; W171-Y207 AromaticContact NE1-CG 3.69Å; W171-Y207 AromaticContact NE1-CZ 3.44Å; W171-D210 WeakPolarHBondContact CA-OD2 3.44Å; W171-D210 WeakPolarHBondContact CB-OD2 3.38Å; W171-L211 HydrophobicContact CG-CD2 4.44Å; W171-L211 HydrophobicContact CZ2-CD2 4.44Å | ||
| 172 | N | 89.5 | Confident | 79.1 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 61% | 0.61 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -98.3 | -60 | 172.4 | -76.1 | -16.6 | 0 | 0 | 0 | 110.1 | L174 G175 D210 | N172-L174 VanDerWaalsContact C-N 3.32Å; N172-L174 PolarHBondContact O-N 3.24Å; N172-G175 PolarHBondContact O-N 2.92Å; N172-D210 WeakPolarHBondContact CB-OD1 3.14Å; N172-D210 PolarHBondContact N-OD1 3.46Å; N172-D210 PolarHBondContact N-OD2 2.8Å |
| 173 | R | 86.6 | Confident | 80.3 | Confident | 102 Ų | 102 | 41.6 Ų | 41.6 | 39% | 0.385 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -38 | 177.3 | -62.5 | 175.9 | 67.1 | 171.6 | 2.8 | 111.3 | D210 Q240 | R173-D210 HydrophobicContact CB-CB 4.35Å; R173-D210 WeakPolarHBondContact CB-OD1 3.16Å; R173-D210 WeakPolarHBondContact CG-OD1 3.45Å; R173-D210 VanDerWaalsContact N-CG 3.29Å; R173-D210 PolarHBondContact N-OD1 3.46Å; R173-D210 PolarHBondContact N-OD2 2.93Å; R173-D210 VanDerWaalsContact N-OD2 3.09Å; R173-Q240 PolarHBondContact NH1-O 3.27Å |
| 174 | L | 86.2 | Confident | 81.9 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 31.4 | 176.7 | -59.2 | 171.4 | 0 | 0 | 0 | 111.8 | W171 N172 V176 L177 F203 Y207 D210 I423 | W171-L174 VanDerWaalsContact CB-C 3.46Å; W171-L174 HydrophobicContact CB-CB 3.85Å; W171-L174 WeakPolarHBondContact CB-O 3.44Å; W171-L174 HydrophobicContact CG-CB 4.06Å; N172-L174 VanDerWaalsContact C-N 3.32Å; N172-L174 PolarHBondContact O-N 3.24Å; L174-V176 PolarHBondContact O-N 3.37Å; L174-L177 HydrophobicContact CB-CD1 3.67Å; L174-L177 HydrophobicContact CB-CG 4.06Å; L174-L177 HydrophobicContact CD1-CD1 3.93Å; L174-L177 HydrophobicContact CG-CD1 4.35Å; L174-L177 WeakPolarHBondContact O-CB 3.24Å; L174-L177 WeakPolarHBondContact O-CG 3.37Å; L174-L177 PolarHBondContact O-N 3.47Å; L174-F203 HydrophobicContact CD1-CE2 4.43Å; L174-F203 HydrophobicContact CD1-CZ 4.15Å; L174-Y207 HydrophobicContact CD1-CD2 4.22Å; L174-D210 PolarHBondContact N-OD2 3.41Å; L174-I423 HydrophobicContact CD2-CD1 4.04Å; L174-I423 HydrophobicContact CD2-CG1 4.33Å |
| 175 | G | 85.6 | Confident | 83.4 | Confident | 28 Ų | 28 | 37.1 Ų | 37.1 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | W171 N172 L177 N178 | W171-G175 VanDerWaalsContact O-CA 3.24Å; W171-G175 WeakPolarHBondContact O-CA 3.27Å; N172-G175 PolarHBondContact O-N 2.92Å; G175-L177 PolarHBondContact O-N 3.2Å; G175-N178 WeakPolarHBondContact CA-ND2 3.49Å; G175-N178 WeakPolarHBondContact O-CB 3.47Å; G175-N178 PolarHBondContact O-N 3.05Å; G175-N178 PolarHBondContact O-ND2 3.37Å |
| 176 | V | 83.7 | Confident | 84.8 | Confident | 38 Ų | 38 | 33.8 Ų | 33.8 | 23% | 0.23 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.8 | -36 | 168.4 | 172.2 | 0 | 0 | 0 | 0 | 112.2 | L174 N178 S179 Y180 L410 I423 Q426 | L174-V176 PolarHBondContact O-N 3.37Å; V176-N178 PolarHBondContact O-N 2.96Å; V176-S179 PolarHBondContact O-N 3.19Å; V176-S179 PolarHBondContact O-OG 2.84Å; V176-Y180 HydrophobicContact CG1-CD2 4.12Å; V176-Y180 HydrophobicContact CG1-CE2 3.68Å; V176-Y180 WeakPolarHBondContact O-CD2 3.48Å; V176-L410 HydrophobicContact CG1-CD1 4.28Å; V176-L410 HydrophobicContact CG1-CD2 3.7Å; V176-I423 HydrophobicContact CB-CD1 3.77Å; V176-I423 HydrophobicContact CG1-CD1 4.19Å; V176-I423 HydrophobicContact CG1-CG2 4.29Å; V176-I423 HydrophobicContact CG2-CD1 4.35Å; V176-I423 HydrophobicContact CG2-CG2 4.39Å; V176-Q426 HydrophobicContact CG1-CG 3.82Å |
| 177 | L | 83.3 | Confident | 85.7 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -29.3 | 176.5 | -67.6 | -178.1 | 0 | 0 | 0 | 112 | W171 L174 G175 S179 Y180 L181 F203 Y207 L410 I423 | W171-L177 HydrophobicContact CD2-CB 3.94Å; W171-L177 HydrophobicContact CD2-CD1 4.13Å; W171-L177 HydrophobicContact CE3-CB 3.29Å; W171-L177 HydrophobicContact CE3-CD1 4.26Å; W171-L177 HydrophobicContact CE3-CG 4.42Å; W171-L177 HydrophobicContact CG-CD1 4.43Å; W171-L177 HydrophobicContact CZ3-CB 3.8Å; L174-L177 HydrophobicContact CB-CD1 3.67Å; L174-L177 HydrophobicContact CB-CG 4.06Å; L174-L177 HydrophobicContact CD1-CD1 3.93Å; L174-L177 HydrophobicContact CG-CD1 4.35Å; L174-L177 WeakPolarHBondContact O-CB 3.24Å; L174-L177 WeakPolarHBondContact O-CG 3.37Å; L174-L177 PolarHBondContact O-N 3.47Å; G175-L177 PolarHBondContact O-N 3.2Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.18Å; L177-Y180 PolarHBondContact O-N 3.4Å; L177-L181 HydrophobicContact CB-CD1 4.07Å; L177-L181 HydrophobicContact CD2-CD1 4.42Å; L177-L181 VanDerWaalsContact O-CB 3.27Å; L177-L181 WeakPolarHBondContact O-CB 3.13Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.36Å; L177-F203 HydrophobicContact CD1-CZ 4.17Å; L177-Y207 HydrophobicContact CD1-CD2 4.06Å; L177-Y207 HydrophobicContact CD1-CE2 4.32Å; L177-L410 HydrophobicContact CD2-CD1 3.56Å; L177-I423 HydrophobicContact CG-CD1 4.38Å |
| 178 | N | 84.9 | Confident | 86.1 | Confident | 33 Ų | 33 | 28.6 Ų | 28.6 | 18% | 0.176 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -37 | 178.2 | -59.7 | -30.2 | 0 | 0 | 0 | 112.1 | Q170 W171 G175 V176 Y180 G182 | Q170-N178 WeakPolarHBondContact CA-OD1 3.46Å; Q170-N178 VanDerWaalsContact OE1-CB 3.24Å; Q170-N178 PolarHBondContact OE1-OD1 3.22Å; Q170-N178 VanDerWaalsContact OE1-OD1 3.08Å; W171-N178 PolarHBondContact N-ND2 3.13Å; W171-N178 PolarHBondContact N-OD1 2.9Å; W171-N178 PolarHBondContact O-ND2 2.89Å; G175-N178 WeakPolarHBondContact CA-ND2 3.49Å; G175-N178 WeakPolarHBondContact O-CB 3.47Å; G175-N178 PolarHBondContact O-N 3.05Å; G175-N178 PolarHBondContact O-ND2 3.37Å; V176-N178 PolarHBondContact O-N 2.96Å; N178-Y180 PolarHBondContact O-N 2.71Å; N178-G182 WeakPolarHBondContact O-CA 3.44Å; N178-G182 PolarHBondContact O-N 2.91Å |
| 179 | S | 79.4 | Confident | 86.5 | Confident | 82 Ų | 82 | 25.9 Ų | 25.9 | 57% | 0.573 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -68.2 | -27.3 | -180 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | V176 L177 | V176-S179 PolarHBondContact O-N 3.19Å; V176-S179 PolarHBondContact O-OG 2.84Å; L177-S179 VanDerWaalsContact C-N 3.33Å; L177-S179 PolarHBondContact O-N 3.18Å |
| 180 | Y | 77.1 | Confident | 86.7 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 7% | 0.071 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -92.9 | -25.7 | -179.9 | -64.4 | -75.6 | 0 | 0 | 0 | 113.8 | V176 L177 N178 I395 N398 N408 L410 D428 | V176-Y180 HydrophobicContact CG1-CD2 4.12Å; V176-Y180 HydrophobicContact CG1-CE2 3.68Å; V176-Y180 WeakPolarHBondContact O-CD2 3.48Å; L177-Y180 PolarHBondContact O-N 3.4Å; N178-Y180 PolarHBondContact O-N 2.71Å; Y180-I395 HydrophobicContact CD1-CD1 4.22Å; Y180-I395 HydrophobicContact CD2-CD1 4.3Å; Y180-I395 HydrophobicContact CG-CD1 3.67Å; Y180-N398 PolarHBondContact O-ND2 3.3Å; Y180-N408 HydrophobicContact CD1-CB 3.89Å; Y180-N408 VanDerWaalsContact CD1-ND2 3.28Å; Y180-N408 WeakPolarHBondContact CD1-ND2 3.28Å; Y180-N408 HydrophobicContact CE1-CB 3.61Å; Y180-N408 VanDerWaalsContact CE1-ND2 3.35Å; Y180-N408 WeakPolarHBondContact CE1-ND2 3.38Å; Y180-L410 HydrophobicContact CD2-CD1 4.49Å; Y180-L410 HydrophobicContact CD2-CD2 4.39Å; Y180-L410 HydrophobicContact CE2-CD2 3.7Å; Y180-D428 PolarHBondContact OH-OD1 3.46Å |
| 181 | L | 79.2 | Confident | 86.9 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -118 | -23.3 | -169.6 | -58.3 | 170.1 | 0 | 0 | 0 | 113.4 | W171 L177 G183 Y372 I395 | W171-L181 HydrophobicContact CH2-CD1 3.98Å; W171-L181 HydrophobicContact CZ3-CB 4.07Å; W171-L181 HydrophobicContact CZ3-CD1 3.69Å; L177-L181 HydrophobicContact CB-CD1 4.07Å; L177-L181 HydrophobicContact CD2-CD1 4.42Å; L177-L181 VanDerWaalsContact O-CB 3.27Å; L177-L181 WeakPolarHBondContact O-CB 3.13Å; L177-L181 WeakPolarHBondContact O-CG 3.36Å; L177-L181 PolarHBondContact O-N 3.36Å; L181-G183 PolarHBondContact O-N 3.4Å; L181-Y372 HydrophobicContact CD1-CE1 3.77Å; L181-Y372 HydrophobicContact CD1-CE2 4.48Å; L181-Y372 VanDerWaalsContact CD1-CZ 3.45Å; L181-Y372 WeakPolarHBondContact CD1-OH 3.47Å; L181-Y372 HydrophobicContact CD2-CE1 3.69Å; L181-Y372 WeakPolarHBondContact CD2-OH 3.18Å; L181-Y372 HydrophobicContact CG-CE1 4.22Å; L181-Y372 VanDerWaalsContact CG-OH 3.31Å; L181-Y372 WeakPolarHBondContact CG-OH 3.45Å; L181-I395 HydrophobicContact CD2-CD1 4.2Å; L181-I395 HydrophobicContact CD2-CG2 4.22Å; L181-I395 HydrophobicContact CG-CD1 4.46Å |
| 182 | G | 81.6 | Confident | 87 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | trans | 69.6 | 14 | -168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q166 G167 Q170 N178 | Q166-G182 CarbonylContact C-O 3.56Å; Q166-G182 WeakPolarHBondContact CA-O 2.99Å; G167-G182 PolarHBondContact N-O 2.81Å; Q170-G182 PolarHBondContact NE2-O 3.13Å; N178-G182 WeakPolarHBondContact O-CA 3.44Å; N178-G182 PolarHBondContact O-N 2.91Å | ||
| 183 | G | 87.5 | Confident | 87 | Confident | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 86.1 | -179.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A169 L181 | A169-G183 CarbonylContact O-C 3.59Å; A169-G183 WeakPolarHBondContact O-CA 3.22Å; L181-G183 PolarHBondContact O-N 3.4Å |
| 184 | L | 90.3 | Very high | 87.1 | Confident | 2 Ų | 2 | 14 Ų | 14 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | B | Isolated β-bridge | trans | -75.6 | 139.1 | 178.4 | -66.9 | -168.6 | 0 | 0 | 0 | 112.7 | G167 F168 A169 W171 Y207 L211 H296 H337 | G167-L184 CarbonylContact C-O 3.44Å; G167-L184 WeakPolarHBondContact CA-O 3.2Å; F168-L184 HydrophobicContact CD1-CB 4.27Å; F168-L184 WeakPolarHBondContact CD1-O 3.5Å; F168-L184 HydrophobicContact CE1-CB 3.67Å; F168-L184 HydrophobicContact CZ-CB 3.91Å; F168-L184 HydrophobicContact CZ-CD1 4.36Å; F168-L184 PolarHBondContact N-O 3.1Å; A169-L184 HydrophobicContact CB-CB 4.14Å; A169-L184 PolarHBondContact N-O 2.78Å; A169-L184 PolarHBondContact O-N 3.41Å; W171-L184 HydrophobicContact CH2-CD2 3.95Å; W171-L184 HydrophobicContact CH2-CG 4.24Å; W171-L184 HydrophobicContact CZ2-CD2 3.71Å; W171-L184 HydrophobicContact CZ2-CG 3.75Å; L184-Y207 WeakPolarHBondContact CD2-OH 3.25Å; L184-L211 HydrophobicContact CD1-CD1 3.44Å; L184-L211 VanDerWaalsContact CD1-CD1 3.44Å; L184-L211 HydrophobicContact CG-CD1 4.19Å; L184-H296 HydrophobicContact CD1-CB 4.13Å; L184-H337 HydrophobicContact CB-CB 4.22Å; L184-H337 HydrophobicContact CD1-CB 4.22Å; L184-H337 HydrophobicContact CD2-CB 4.42Å; L184-H337 WeakPolarHBondContact CD2-CD2 3.49Å; L184-H337 VanDerWaalsContact CD2-NE2 3.27Å; L184-H337 WeakPolarHBondContact CD2-NE2 3.37Å |
| 185 | R | 87.5 | Confident | 87 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | trans | -124.2 | 145.5 | 179.2 | -72.8 | 163.9 | 177.5 | 145 | 4.6 | 111.9 | G167 E188 H337 R400 | G167-R185 VanDerWaalsContact CA-CG 3.48Å; R185-E188 HydrophobicContact CB-CB 4.43Å; R185-E188 HydrophobicContact CB-CG 3.9Å; R185-E188 WeakPolarHBondContact CD-OE1 3.43Å; R185-E188 IonicContact NH1-OE1 3.62Å; R185-E188 PolarHBondContact NH1-OE1 3.3Å; R185-E188 PolarHBondContact O-N 3.11Å; R185-H337 WeakPolarHBondContact O-CB 3.46Å; R185-H337 PolarHBondContact O-ND1 2.66Å; R185-R400 VanDerWaalsContact NH1-CB 3.3Å; R185-R400 VanDerWaalsContact NH1-CD 3.32Å | ||
| 186 | P | 89.6 | Confident | 86.9 | Confident | 38 Ų | 38 | 20 Ų | 20 | 25% | 0.247 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 142.8 | 175 | 30.5 | -35 | 0 | 0 | 0 | 109.7 | E188 S335 | P186-E188 PolarHBondContact O-N 3.44Å; P186-S335 WeakPolarHBondContact CA-O 3.41Å; P186-S335 WeakPolarHBondContact CB-O 3.49Å |
| 187 | G | 91.1 | Very high | 86.9 | Confident | 13 Ų | 13 | 21.7 Ų | 21.7 | 13% | 0.134 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -12 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R328 A331 V336 | G187-R328 VanDerWaalsContact O-CZ 3.31Å; G187-R328 PolarHBondContact O-NH1 3.28Å; G187-R328 PolarHBondContact O-NH2 3.42Å; G187-A331 VanDerWaalsContact CA-O 3.25Å; G187-A331 WeakPolarHBondContact CA-O 3.19Å; G187-V336 PolarHBondContact N-O 2.83Å |
| 188 | E | 92.1 | Very high | 87 | Confident | 14 Ų | 14 | 21.7 Ų | 21.7 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | trans | -86.8 | 141.8 | -177.1 | -72.7 | -172 | -176.7 | 0 | 0 | 112.5 | R185 P186 L338 D369 N370 | R185-E188 HydrophobicContact CB-CB 4.43Å; R185-E188 HydrophobicContact CB-CG 3.9Å; R185-E188 WeakPolarHBondContact CD-OE1 3.43Å; R185-E188 IonicContact NH1-OE1 3.62Å; R185-E188 PolarHBondContact NH1-OE1 3.3Å; R185-E188 PolarHBondContact O-N 3.11Å; P186-E188 PolarHBondContact O-N 3.44Å; E188-L338 PolarHBondContact O-N 3.06Å; E188-D369 VanDerWaalsContact CA-OD2 3.25Å; E188-D369 WeakPolarHBondContact CA-OD2 3.49Å; E188-D369 HydrophobicContact CB-CB 4.18Å; E188-D369 HydrophobicContact CG-CB 4.08Å; E188-N370 PolarHBondContact OE2-ND2 3.24Å | ||
| 189 | L | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.5 | 171.7 | -170.1 | 156.9 | 0 | 0 | 0 | 109.6 | V191 F324 F327 R328 A331 L338 A368 D369 N370 | L189-V191 HydrophobicContact CD2-CG2 3.72Å; L189-F324 HydrophobicContact CD1-CE1 4.45Å; L189-F324 HydrophobicContact CD1-CE2 4.41Å; L189-F324 HydrophobicContact CD1-CZ 4.09Å; L189-F324 HydrophobicContact CD2-CE2 3.8Å; L189-F324 HydrophobicContact CD2-CZ 3.64Å; L189-F327 HydrophobicContact CD1-CB 4.21Å; L189-R328 HydrophobicContact CD1-CB 4.17Å; L189-A331 HydrophobicContact CB-CB 4.49Å; L189-L338 CarbonylContact C-O 3.59Å; L189-L338 WeakPolarHBondContact CA-O 3.3Å; L189-L338 HydrophobicContact CD1-CD2 4.14Å; L189-L338 HydrophobicContact CG-CD2 4.09Å; L189-A368 HydrophobicContact CD2-CB 4.03Å; L189-D369 PolarHBondContact N-OD2 3.44Å; L189-D369 PolarHBondContact O-N 3.04Å; L189-N370 PolarHBondContact O-N 3.27Å |
| 190 | T | 93.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.9 | 175.2 | -73.1 | 0 | 0 | 0 | 0 | 109.9 | H337 L338 T339 L340 N370 Y372 | T190-H337 WeakPolarHBondContact CB-NE2 3.47Å; T190-H337 PolarHBondContact OG1-CE1 3.02Å; T190-H337 PolarHBondContact OG1-NE2 3.25Å; T190-L338 PolarHBondContact N-O 3.43Å; T190-T339 HydrophobicContact CG2-CG2 4.23Å; T190-T339 CarbonylContact O-C 3.38Å; T190-T339 WeakPolarHBondContact O-CA 3.27Å; T190-L340 PolarHBondContact O-N 2.91Å; T190-N370 CarbonylContact C-O 3.53Å; T190-N370 WeakPolarHBondContact CA-O 3.45Å; T190-N370 HydrophobicContact CG2-CB 4.44Å; T190-N370 PolarHBondContact OG1-ND2 3.42Å; T190-Y372 HydrophobicContact CG2-CD2 3.46Å; T190-Y372 VanDerWaalsContact CG2-CD2 3.46Å; T190-Y372 HydrophobicContact CG2-CE2 3.18Å |
| 191 | V | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 128.9 | 168.6 | 169.9 | 0 | 0 | 0 | 0 | 109.5 | L189 F324 L340 V342 L358 A368 N370 V371 Y372 | L189-V191 HydrophobicContact CD2-CG2 3.72Å; V191-F324 HydrophobicContact CG2-CE2 3.77Å; V191-F324 HydrophobicContact CG2-CZ 4.34Å; V191-L340 WeakPolarHBondContact CA-O 3.35Å; V191-V342 HydrophobicContact CG1-CB 4.04Å; V191-V342 HydrophobicContact CG1-CG2 3.88Å; V191-L358 HydrophobicContact CG1-CD2 4.47Å; V191-A368 HydrophobicContact CB-CB 4.27Å; V191-A368 HydrophobicContact CG2-CB 3.61Å; V191-N370 PolarHBondContact N-O 3.17Å; V191-V371 HydrophobicContact CB-CG2 4.41Å; V191-V371 WeakPolarHBondContact O-CA 3.15Å; V191-Y372 PolarHBondContact O-N 2.7Å |
| 192 | F | 91.8 | Very high | 89.2 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.022 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112.4 | 172 | -153.7 | -72.3 | 0 | 0 | 0 | 109.9 | K200 F203 I204 T339 L340 V341 V342 Y372 L374 | F192-K200 HydrophobicContact CD1-CB 4.02Å; F192-K200 HydrophobicContact CD1-CD 4.24Å; F192-K200 HydrophobicContact CD1-CG 3.96Å; F192-K200 HydrophobicContact CE1-CB 4.16Å; F192-K200 HydrophobicContact CE1-CG 4.04Å; F192-F203 HydrophobicContact CE1-CD1 4.44Å; F192-F203 AromaticContact CE2-CD1 3.44Å; F192-F203 HydrophobicContact CE2-CD1 3.44Å; F192-F203 VanDerWaalsContact CE2-CD1 3.44Å; F192-F203 AromaticContact CE2-CE1 3.59Å; F192-F203 HydrophobicContact CE2-CE1 3.59Å; F192-F203 HydrophobicContact CZ-CB 4.41Å; F192-F203 AromaticContact CZ-CD1 3.36Å; F192-F203 HydrophobicContact CZ-CD1 3.36Å; F192-F203 AromaticContact CZ-CE1 3.85Å; F192-F203 HydrophobicContact CZ-CE1 3.85Å; F192-F203 HydrophobicContact CZ-CG 4.04Å; F192-I204 HydrophobicContact CB-CD1 3.88Å; F192-I204 HydrophobicContact CD1-CD1 4.19Å; F192-I204 HydrophobicContact CD2-CD1 4.23Å; F192-I204 HydrophobicContact CD2-CG1 4.06Å; F192-I204 HydrophobicContact CE2-CG1 4.41Å; F192-I204 HydrophobicContact CG-CD1 3.84Å; F192-I204 HydrophobicContact CG-CG1 4.15Å; F192-T339 HydrophobicContact CB-CG2 4.46Å; F192-L340 PolarHBondContact N-O 2.97Å; F192-V341 WeakPolarHBondContact O-CA 3.27Å; F192-V342 PolarHBondContact O-N 2.73Å; F192-Y372 AromaticContact CD2-CD2 3.58Å; F192-Y372 HydrophobicContact CD2-CD2 3.58Å; F192-Y372 AromaticContact CD2-CG 3.98Å; F192-Y372 HydrophobicContact CD2-CG 3.98Å; F192-Y372 HydrophobicContact CE2-CD2 4.01Å; F192-Y372 HydrophobicContact CE2-CG 4.09Å; F192-Y372 HydrophobicContact CG-CD2 4.49Å; F192-L374 HydrophobicContact CE1-CB 3.63Å; F192-L374 HydrophobicContact CE1-CD2 4.01Å; F192-L374 HydrophobicContact CE1-CG 4.43Å; F192-L374 HydrophobicContact CZ-CB 4.15Å; F192-L374 HydrophobicContact CZ-CD2 4.42Å |
| 193 | S | 89.9 | Confident | 89.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 164 | -177.1 | -163.8 | 0 | 0 | 0 | 0 | 113.6 | V342 L358 Y372 M373 L374 | S193-V342 WeakPolarHBondContact CA-O 3.43Å; S193-V342 WeakPolarHBondContact CB-O 3.46Å; S193-V342 PolarHBondContact OG-O 3.3Å; S193-L358 WeakPolarHBondContact OG-CD2 3.23Å; S193-Y372 PolarHBondContact N-O 2.74Å; S193-M373 CarbonylContact O-C 3.53Å; S193-M373 WeakPolarHBondContact O-CA 3.37Å; S193-L374 PolarHBondContact O-N 2.86Å |
| 194 | G | 87.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 152.8 | 156.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K200 P344 L374 | G194-K200 WeakPolarHBondContact O-CE 3.39Å; G194-K200 PolarHBondContact O-NZ 3.37Å; G194-P344 VanDerWaalsContact C-CD 3.42Å; G194-P344 WeakPolarHBondContact O-CD 3.18Å; G194-L374 VanDerWaalsContact CA-O 3.27Å; G194-L374 WeakPolarHBondContact CA-O 3.39Å | ||
| 195 | P | 84.1 | Confident | 90.5 | Very high | 52 Ų | 52 | 18.2 Ų | 18.2 | 34% | 0.338 | 13% | 0.131 | S | C | . | . | trans | -62.6 | 163.8 | -176.8 | 23.5 | -27 | 0 | 0 | 0 | 111.9 | S198 K200 L374 | P195-S198 VanDerWaalsContact O-CB 3.28Å; P195-S198 WeakPolarHBondContact O-CB 3.36Å; P195-S198 PolarHBondContact O-N 2.75Å; P195-S198 PolarHBondContact O-OG 2.85Å; P195-K200 PolarHBondContact O-NZ 3.24Å; P195-L374 WeakPolarHBondContact CD-O 3.46Å | ||
| 196 | T | 83.6 | Confident | 90.8 | Very high | 108 Ų | 108 | 18.3 Ų | 18.3 | 66% | 0.663 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 140.3 | 173.7 | -54 | 0 | 0 | 0 | 0 | 110.1 | S198 H343 | T196-S198 PolarHBondContact O-N 2.95Å; T196-H343 PolarHBondContact OG1-CE1 3.45Å; T196-H343 VanDerWaalsContact OG1-CE1 3.23Å; T196-H343 PolarHBondContact OG1-ND1 3.4Å |
| 197 | G | 83.6 | Confident | 91 | Very high | 72 Ų | 72 | 16.9 Ų | 16.9 | 74% | 0.742 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | 5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G199 | G197-G199 PolarHBondContact O-N 3.01Š|
| 198 | S | 85.7 | Confident | 91.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -73.3 | -2.9 | 176.9 | 72 | 0 | 0 | 0 | 0 | 114.7 | P195 T196 K200 L374 Y391 | P195-S198 VanDerWaalsContact O-CB 3.28Å; P195-S198 WeakPolarHBondContact O-CB 3.36Å; P195-S198 PolarHBondContact O-N 2.75Å; P195-S198 PolarHBondContact O-OG 2.85Å; T196-S198 PolarHBondContact O-N 2.95Å; S198-K200 WeakPolarHBondContact OG-CG 3.35Å; S198-L374 WeakPolarHBondContact O-CD2 3.43Å; S198-Y391 WeakPolarHBondContact O-CD1 3.38Å; S198-Y391 WeakPolarHBondContact O-CE1 3.41Å |
| 199 | G | 88.9 | Confident | 91.4 | Very high | 14 Ų | 14 | 15.6 Ų | 15.6 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | S | Bend | trans | 87.1 | 20.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | G197 T202 F203 | G197-G199 PolarHBondContact O-N 3.01Å; G199-T202 PolarHBondContact O-N 2.77Å; G199-F203 WeakPolarHBondContact O-CB 3.49Å; G199-F203 PolarHBondContact O-N 2.8Å |
| 200 | K | 91.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 4% | 0.035 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.2 | -58.7 | 179 | -59.6 | -175.1 | -62.6 | -69.2 | 0 | 112.5 | F192 G194 P195 S198 T202 F203 I204 V341 H343 L374 | F192-K200 HydrophobicContact CD1-CB 4.02Å; F192-K200 HydrophobicContact CD1-CD 4.24Å; F192-K200 HydrophobicContact CD1-CG 3.96Å; F192-K200 HydrophobicContact CE1-CB 4.16Å; F192-K200 HydrophobicContact CE1-CG 4.04Å; G194-K200 WeakPolarHBondContact O-CE 3.39Å; G194-K200 PolarHBondContact O-NZ 3.37Å; P195-K200 PolarHBondContact O-NZ 3.24Å; S198-K200 WeakPolarHBondContact OG-CG 3.35Å; K200-T202 VanDerWaalsContact C-N 3.27Å; K200-T202 PolarHBondContact O-N 3.49Å; K200-F203 PolarHBondContact O-N 3.39Å; K200-F203 VanDerWaalsContact O-N 3.09Å; K200-I204 VanDerWaalsContact O-CG1 3.31Å; K200-I204 WeakPolarHBondContact O-CG1 3.48Å; K200-I204 PolarHBondContact O-N 3.03Å; K200-V341 HydrophobicContact CB-CG1 4.33Å; K200-V341 HydrophobicContact CD-CG1 3.85Å; K200-H343 PolarHBondContact NZ-CE1 3.22Å; K200-H343 PolarHBondContact NZ-ND1 2.96Å; K200-L374 HydrophobicContact CG-CD2 4.34Å |
| 201 | T | 93.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 15.7 Ų | 15.7 | 14% | 0.135 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.3 | -44.9 | 177.8 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | F203 I204 S205 W223 V228 L233 D300 | T201-F203 PolarHBondContact O-N 3.44Å; T201-I204 PolarHBondContact O-N 3.11Å; T201-S205 WeakPolarHBondContact O-CB 3.38Å; T201-S205 PolarHBondContact O-N 3.34Å; T201-S205 PolarHBondContact O-OG 3.09Å; T201-W223 HydrophobicContact CG2-CZ3 4.23Å; T201-V228 HydrophobicContact CG2-CG2 4.15Å; T201-L233 HydrophobicContact CG2-CD1 4.09Å; T201-D300 WeakPolarHBondContact CB-OD2 3.48Å; T201-D300 WeakPolarHBondContact CG2-OD2 3.42Å; T201-D300 PolarHBondContact OG1-OD2 2.8Å |
| 202 | T | 93.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 15.7 Ų | 15.7 | 18% | 0.184 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65.8 | -36.3 | 178.9 | -49.7 | 0 | 0 | 0 | 0 | 112.8 | G199 K200 S205 L206 V236 Q240 F414 L419 | G199-T202 PolarHBondContact O-N 2.77Å; K200-T202 VanDerWaalsContact C-N 3.27Å; K200-T202 PolarHBondContact O-N 3.49Å; T202-S205 WeakPolarHBondContact CA-OG 3.31Å; T202-S205 PolarHBondContact O-OG 3.25Å; T202-L206 PolarHBondContact O-N 3.05Å; T202-V236 HydrophobicContact CG2-CG1 4.21Å; T202-Q240 PolarHBondContact O-NE2 3.39Å; T202-F414 HydrophobicContact CG2-CE2 3.88Å; T202-F414 HydrophobicContact CG2-CZ 4.33Å; T202-L419 HydrophobicContact CG2-CB 4.17Å; T202-L419 VanDerWaalsContact CG2-O 3.27Å; T202-L419 WeakPolarHBondContact CG2-O 3.5Å |
| 203 | F | 93.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.7 | -46.2 | 175.2 | -178.9 | -91.5 | 0 | 0 | 0 | 110.9 | L174 L177 F192 G199 K200 T201 S205 L206 Y207 L374 L412 H421 | L174-F203 HydrophobicContact CD1-CE2 4.43Å; L174-F203 HydrophobicContact CD1-CZ 4.15Å; L177-F203 HydrophobicContact CD1-CZ 4.17Å; F192-F203 HydrophobicContact CE1-CD1 4.44Å; F192-F203 AromaticContact CE2-CD1 3.44Å; F192-F203 HydrophobicContact CE2-CD1 3.44Å; F192-F203 VanDerWaalsContact CE2-CD1 3.44Å; F192-F203 AromaticContact CE2-CE1 3.59Å; F192-F203 HydrophobicContact CE2-CE1 3.59Å; F192-F203 HydrophobicContact CZ-CB 4.41Å; F192-F203 AromaticContact CZ-CD1 3.36Å; F192-F203 HydrophobicContact CZ-CD1 3.36Å; F192-F203 AromaticContact CZ-CE1 3.85Å; F192-F203 HydrophobicContact CZ-CE1 3.85Å; F192-F203 HydrophobicContact CZ-CG 4.04Å; G199-F203 WeakPolarHBondContact O-CB 3.49Å; G199-F203 PolarHBondContact O-N 2.8Å; K200-F203 PolarHBondContact O-N 3.39Å; K200-F203 VanDerWaalsContact O-N 3.09Å; T201-F203 PolarHBondContact O-N 3.44Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.24Å; F203-L206 PolarHBondContact O-N 2.98Å; F203-Y207 VanDerWaalsContact O-CB 3.27Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 PolarHBondContact O-N 2.76Å; F203-L374 HydrophobicContact CB-CD2 4.46Å; F203-L412 HydrophobicContact CD2-CD1 3.9Å; F203-L412 HydrophobicContact CE2-CD1 3.71Å; F203-L412 HydrophobicContact CE2-CD2 4.2Å; F203-H421 HydrophobicContact CD2-CB 4.02Å; F203-H421 AromaticContact CD2-CG 3.93Å; F203-H421 HydrophobicContact CE2-CB 4.42Å |
| 204 | I | 95.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 179.7 | -60.5 | 165.1 | 0 | 0 | 0 | 110.4 | F192 K200 T201 Y207 S208 W223 V298 T339 V341 | F192-I204 HydrophobicContact CB-CD1 3.88Å; F192-I204 HydrophobicContact CD1-CD1 4.19Å; F192-I204 HydrophobicContact CD2-CD1 4.23Å; F192-I204 HydrophobicContact CD2-CG1 4.06Å; F192-I204 HydrophobicContact CE2-CG1 4.41Å; F192-I204 HydrophobicContact CG-CD1 3.84Å; F192-I204 HydrophobicContact CG-CG1 4.15Å; K200-I204 VanDerWaalsContact O-CG1 3.31Å; K200-I204 WeakPolarHBondContact O-CG1 3.48Å; K200-I204 PolarHBondContact O-N 3.03Å; T201-I204 PolarHBondContact O-N 3.11Å; I204-Y207 WeakPolarHBondContact O-CB 3.32Å; I204-Y207 PolarHBondContact O-N 3.3Å; I204-S208 WeakPolarHBondContact O-CB 3.31Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.33Å; I204-W223 HydrophobicContact CB-CH2 3.87Å; I204-W223 HydrophobicContact CB-CZ2 4.27Å; I204-W223 HydrophobicContact CG2-CH2 3.63Å; I204-W223 HydrophobicContact CG2-CZ2 3.67Å; I204-V298 HydrophobicContact CG2-CB 4.49Å; I204-V298 HydrophobicContact CG2-CG1 3.66Å; I204-V298 HydrophobicContact CG2-CG2 3.95Å; I204-T339 HydrophobicContact CD1-CG2 4.22Å; I204-T339 HydrophobicContact CG2-CG2 4.36Å; I204-V341 HydrophobicContact CD1-CG2 3.34Å |
| 205 | S | 96.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 175.2 | 70.3 | 0 | 0 | 0 | 0 | 112.1 | T201 T202 F203 Y207 S208 L209 W223 Q240 | T201-S205 WeakPolarHBondContact O-CB 3.38Å; T201-S205 PolarHBondContact O-N 3.34Å; T201-S205 PolarHBondContact O-OG 3.09Å; T202-S205 WeakPolarHBondContact CA-OG 3.31Å; T202-S205 PolarHBondContact O-OG 3.25Å; F203-S205 VanDerWaalsContact C-N 3.3Å; F203-S205 PolarHBondContact O-N 3.24Å; S205-Y207 VanDerWaalsContact C-N 3.33Å; S205-Y207 PolarHBondContact O-N 3.27Å; S205-S208 PolarHBondContact O-N 3.19Å; S205-L209 WeakPolarHBondContact O-CG 3.49Å; S205-L209 PolarHBondContact O-N 3.28Å; S205-W223 VanDerWaalsContact CA-CZ2 3.47Å; S205-Q240 VanDerWaalsContact OG-CD 3.3Å; S205-Q240 PolarHBondContact OG-NE2 3.45Å; S205-Q240 VanDerWaalsContact OG-NE2 3.14Å; S205-Q240 PolarHBondContact OG-OE1 3.25Å |
| 206 | L | 95 | Very high | 91.2 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 175.8 | 176.7 | 61.5 | 0 | 0 | 0 | 111.6 | T202 F203 L209 D210 Q240 T420 H421 | T202-L206 PolarHBondContact O-N 3.05Å; F203-L206 PolarHBondContact O-N 2.98Å; L206-L209 PolarHBondContact O-N 3.21Å; L206-D210 PolarHBondContact O-N 3.48Å; L206-Q240 HydrophobicContact CD1-CB 4.27Å; L206-T420 HydrophobicContact CD1-CG2 4.25Å; L206-H421 HydrophobicContact CD2-CB 4.18Å; L206-H421 VanDerWaalsContact CD2-N 3.33Å; L206-H421 WeakPolarHBondContact CD2-O 3.3Å |
| 207 | Y | 93.7 | Very high | 91.1 | Very high | 8 Ų | 8 | 34.6 Ų | 34.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 177 | 163.5 | -78.3 | 0 | 0 | 0 | 112.3 | W171 L174 L177 L184 F203 I204 S205 D210 L211 H296 | W171-Y207 AromaticContact CD1-CD2 3.78Å; W171-Y207 HydrophobicContact CD2-CD2 4.36Å; W171-Y207 HydrophobicContact CD2-CE2 4.02Å; W171-Y207 AromaticContact CE2-CD2 3.56Å; W171-Y207 AromaticContact CE2-CE2 2.99Å; W171-Y207 AromaticContact CE2-CZ 3.51Å; W171-Y207 AromaticContact CH2-CE2 3.93Å; W171-Y207 HydrophobicContact CH2-CE2 3.93Å; W171-Y207 HydrophobicContact CZ2-CD2 4.05Å; W171-Y207 HydrophobicContact CZ2-CE1 4.31Å; W171-Y207 AromaticContact CZ2-CE2 3.01Å; W171-Y207 HydrophobicContact CZ2-CE2 3.01Å; W171-Y207 AromaticContact CZ2-CZ 3.19Å; W171-Y207 WeakPolarHBondContact CZ2-OH 3.41Å; W171-Y207 AromaticContact NE1-CD2 3.06Å; W171-Y207 AromaticContact NE1-CE1 3.97Å; W171-Y207 AromaticContact NE1-CE2 2.96Å; W171-Y207 AromaticContact NE1-CG 3.69Å; W171-Y207 AromaticContact NE1-CZ 3.44Å; L174-Y207 HydrophobicContact CD1-CD2 4.22Å; L177-Y207 HydrophobicContact CD1-CD2 4.06Å; L177-Y207 HydrophobicContact CD1-CE2 4.32Å; L184-Y207 WeakPolarHBondContact CD2-OH 3.25Å; F203-Y207 VanDerWaalsContact O-CB 3.27Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 PolarHBondContact O-N 2.76Å; I204-Y207 WeakPolarHBondContact O-CB 3.32Å; I204-Y207 PolarHBondContact O-N 3.3Å; S205-Y207 VanDerWaalsContact C-N 3.33Å; S205-Y207 PolarHBondContact O-N 3.27Å; Y207-D210 PolarHBondContact O-N 2.94Å; Y207-L211 HydrophobicContact CD1-CD1 4Å; Y207-L211 HydrophobicContact CE1-CD1 3.53Å; Y207-L211 WeakPolarHBondContact O-CG 3.25Å; Y207-L211 PolarHBondContact O-N 3.28Å; Y207-H296 AromaticContact CE1-CE1 3.64Å |
| 208 | S | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -40 | 175.9 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | I204 S205 D210 L211 C212 W223 | I204-S208 WeakPolarHBondContact O-CB 3.31Å; I204-S208 PolarHBondContact O-N 3.44Å; I204-S208 PolarHBondContact O-OG 3.33Å; S205-S208 PolarHBondContact O-N 3.19Å; S208-D210 VanDerWaalsContact C-N 3.34Å; S208-D210 PolarHBondContact O-N 2.64Å; S208-L211 PolarHBondContact O-N 2.98Å; S208-C212 PolarHBondContact O-N 3.03Å; S208-C212 PolarHBondContact O-SG 2.92Å; S208-W223 WeakPolarHBondContact OG-CZ2 3.14Å; S208-W223 PolarHBondContact OG-NE1 3.33Å; S208-W223 VanDerWaalsContact OG-NE1 3.16Å |
| 209 | L | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.2 | -72.4 | 170.5 | 0 | 0 | 0 | 111.6 | S205 L206 L211 C212 E213 M237 Q240 L241 L262 L265 L267 | S205-L209 WeakPolarHBondContact O-CG 3.49Å; S205-L209 PolarHBondContact O-N 3.28Å; L206-L209 PolarHBondContact O-N 3.21Å; L209-L211 PolarHBondContact O-N 2.93Å; L209-C212 PolarHBondContact O-N 3.39Å; L209-C212 VanDerWaalsContact O-N 3.12Å; L209-E213 WeakPolarHBondContact O-CB 3.32Å; L209-E213 PolarHBondContact O-N 3.34Å; L209-M237 HydrophobicContact CD1-CB 4.02Å; L209-M237 HydrophobicContact CD1-CG 4.14Å; L209-M237 HydrophobicContact CD2-CB 4.31Å; L209-M237 HydrophobicContact CD2-CG 4.46Å; L209-M237 HydrophobicContact CG-CB 4.48Å; L209-M237 HydrophobicContact CG-CG 4.33Å; L209-Q240 HydrophobicContact CD1-CB 3.68Å; L209-L241 HydrophobicContact CD1-CB 4.29Å; L209-L262 HydrophobicContact CD2-CD1 3.65Å; L209-L265 HydrophobicContact CD2-CD1 3.68Å; L209-L267 HydrophobicContact CD2-CD1 4.01Å |
| 210 | D | 94.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -32.8 | 177.6 | -171.2 | 32.1 | 0 | 0 | 0 | 112.6 | W171 N172 R173 L174 L206 Y207 S208 Q214 | W171-D210 WeakPolarHBondContact CA-OD2 3.44Å; W171-D210 WeakPolarHBondContact CB-OD2 3.38Å; N172-D210 WeakPolarHBondContact CB-OD1 3.14Å; N172-D210 PolarHBondContact N-OD1 3.46Å; N172-D210 PolarHBondContact N-OD2 2.8Å; R173-D210 HydrophobicContact CB-CB 4.35Å; R173-D210 WeakPolarHBondContact CB-OD1 3.16Å; R173-D210 WeakPolarHBondContact CG-OD1 3.45Å; R173-D210 VanDerWaalsContact N-CG 3.29Å; R173-D210 PolarHBondContact N-OD1 3.46Å; R173-D210 PolarHBondContact N-OD2 2.93Å; R173-D210 VanDerWaalsContact N-OD2 3.09Å; L174-D210 PolarHBondContact N-OD2 3.41Å; L206-D210 PolarHBondContact O-N 3.48Å; Y207-D210 PolarHBondContact O-N 2.94Å; S208-D210 VanDerWaalsContact C-N 3.34Å; S208-D210 PolarHBondContact O-N 2.64Å; D210-Q214 WeakPolarHBondContact O-CG 3.43Å; D210-Q214 PolarHBondContact O-NE2 3.34Å |
| 211 | L | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -77 | -33.5 | 175.4 | -66.3 | 174.6 | 0 | 0 | 0 | 113 | A169 W171 L184 Y207 S208 L209 V219 | A169-L211 HydrophobicContact CB-CD2 3.82Å; W171-L211 HydrophobicContact CG-CD2 4.44Å; W171-L211 HydrophobicContact CZ2-CD2 4.44Å; L184-L211 HydrophobicContact CD1-CD1 3.44Å; L184-L211 VanDerWaalsContact CD1-CD1 3.44Å; L184-L211 HydrophobicContact CG-CD1 4.19Å; Y207-L211 HydrophobicContact CD1-CD1 4Å; Y207-L211 HydrophobicContact CE1-CD1 3.53Å; Y207-L211 WeakPolarHBondContact O-CG 3.25Å; Y207-L211 PolarHBondContact O-N 3.28Å; S208-L211 PolarHBondContact O-N 2.98Å; L209-L211 PolarHBondContact O-N 2.93Å; L211-V219 HydrophobicContact CB-CB 4.08Å; L211-V219 HydrophobicContact CB-CG2 4.14Å; L211-V219 PolarHBondContact O-N 3.3Å |
| 212 | C | 95.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -82.8 | -28.7 | -177.1 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | S208 L209 Q214 Q218 V219 T221 L265 P266 L267 | S208-C212 PolarHBondContact O-N 3.03Å; S208-C212 PolarHBondContact O-SG 2.92Å; L209-C212 PolarHBondContact O-N 3.39Å; L209-C212 VanDerWaalsContact O-N 3.12Å; C212-Q214 PolarHBondContact O-N 3.18Å; C212-Q218 WeakPolarHBondContact O-CG 3.41Å; C212-Q218 PolarHBondContact O-NE2 2.65Å; C212-Q218 VanDerWaalsContact O-NE2 3.17Å; C212-V219 PolarHBondContact SG-O 3.29Å; C212-T221 PolarHBondContact SG-OG1 3.11Å; C212-L265 HydrophobicContact CB-CB 4.02Å; C212-L265 HydrophobicContact CB-CD1 4.27Å; C212-L265 HydrophobicContact CB-CD2 4.45Å; C212-L265 HydrophobicContact CB-CG 4.49Å; C212-P266 HydrophobicContact CB-CG 4.49Å; C212-L267 VanDerWaalsContact SG-CD2 3.55Å |
| 213 | E | 92.5 | Very high | 92.9 | Very high | 76 Ų | 76 | 34 Ų | 34 | 36% | 0.355 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -72.5 | -9.2 | -176 | -169.2 | 171.2 | -153.4 | 0 | 0 | 113.5 | L209 L215 L265 | L209-E213 WeakPolarHBondContact O-CB 3.32Å; L209-E213 PolarHBondContact O-N 3.34Å; E213-L215 PolarHBondContact O-N 2.93Å; E213-L265 HydrophobicContact CB-CD2 4.41Å |
| 214 | Q | 89 | Confident | 92.9 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 10% | 0.098 | 17% | 0.167 | C | C | . | . | trans | -78.7 | 103.4 | -172.4 | -61 | -179.1 | 33.4 | 0 | 0 | 112.7 | Q170 D210 C212 D216 K217 Q218 | Q170-Q214 PolarHBondContact O-NE2 2.96Å; Q170-Q214 PolarHBondContact O-OE1 2.72Å; D210-Q214 WeakPolarHBondContact O-CG 3.43Å; D210-Q214 PolarHBondContact O-NE2 3.34Å; C212-Q214 PolarHBondContact O-N 3.18Å; Q214-D216 VanDerWaalsContact C-N 3.33Å; Q214-D216 PolarHBondContact O-N 3.4Å; Q214-K217 CarbonylContact O-C 3.55Å; Q214-K217 VanDerWaalsContact O-C 3.27Å; Q214-K217 PolarHBondContact O-N 3.36Å; Q214-K217 VanDerWaalsContact O-N 3.15Å; Q214-Q218 WeakPolarHBondContact O-CA 2.97Å; Q214-Q218 WeakPolarHBondContact O-CG 3.22Å; Q214-Q218 PolarHBondContact O-N 2.84Å | ||
| 215 | L | 80.6 | Confident | 92.7 | Very high | 158 Ų | 158 | 34.4 Ų | 34.4 | 83% | 0.827 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -41.5 | -176.1 | -63.3 | 176 | 0 | 0 | 0 | 114.6 | E213 | E213-L215 PolarHBondContact O-N 2.93Š|
| 216 | D | 81.3 | Confident | 92.4 | Very high | 165 Ų | 165 | 35.8 Ų | 35.8 | 88% | 0.882 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -21 | -176.5 | -62.1 | -42.6 | 0 | 0 | 0 | 113.5 | Q214 | Q214-D216 VanDerWaalsContact C-N 3.33Å; Q214-D216 PolarHBondContact O-N 3.4Å |
| 217 | K | 82.5 | Confident | 91.9 | Very high | 141 Ų | 141 | 39 Ų | 39 | 61% | 0.613 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -151.1 | 58.9 | -172.5 | -67.3 | -172 | -178.7 | 178.1 | 0 | 111.5 | Q214 V219 | Q214-K217 CarbonylContact O-C 3.55Å; Q214-K217 VanDerWaalsContact O-C 3.27Å; Q214-K217 PolarHBondContact O-N 3.36Å; Q214-K217 VanDerWaalsContact O-N 3.15Å; K217-V219 PolarHBondContact O-N 3.42Å |
| 218 | Q | 89.8 | Confident | 91.6 | Very high | 88 Ų | 88 | 40.3 Ų | 40.3 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | trans | -63.2 | 136.9 | 177.6 | -65.1 | -169.8 | -61 | 0 | 0 | 110.6 | C212 Q214 P266 | C212-Q218 WeakPolarHBondContact O-CG 3.41Å; C212-Q218 PolarHBondContact O-NE2 2.65Å; C212-Q218 VanDerWaalsContact O-NE2 3.17Å; Q214-Q218 WeakPolarHBondContact O-CA 2.97Å; Q214-Q218 WeakPolarHBondContact O-CG 3.22Å; Q214-Q218 PolarHBondContact O-N 2.84Å; Q218-P266 HydrophobicContact CB-CG 4.01Å | ||
| 219 | V | 94.3 | Very high | 91.3 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | trans | -103.9 | 109.6 | 178.7 | -178.9 | 0 | 0 | 0 | 0 | 110 | F168 A169 L211 C212 K217 T221 R295 H296 | F168-V219 HydrophobicContact CE2-CG1 3.88Å; F168-V219 HydrophobicContact CE2-CG2 4.04Å; F168-V219 HydrophobicContact CZ-CG1 4.32Å; A169-V219 HydrophobicContact CB-CG2 3.38Å; L211-V219 HydrophobicContact CB-CB 4.08Å; L211-V219 HydrophobicContact CB-CG2 4.14Å; L211-V219 PolarHBondContact O-N 3.3Å; C212-V219 PolarHBondContact SG-O 3.29Å; K217-V219 PolarHBondContact O-N 3.42Å; V219-T221 PolarHBondContact O-N 2.8Å; V219-T221 VanDerWaalsContact O-N 3.11Å; V219-T221 PolarHBondContact O-OG1 3.41Å; V219-R295 HydrophobicContact CG1-CB 4.27Å; V219-H296 HydrophobicContact CG1-CB 3.69Å | ||
| 220 | N | 96.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 45 Ų | 45 | 22% | 0.219 | 24% | 0.24 | C | C | . | . | trans | -63 | 115.9 | 172.9 | -63.6 | 4.8 | 0 | 0 | 0 | 109.4 | P266 C292 D293 I294 R295 H296 | N220-P266 HydrophobicContact CB-CB 4.32Å; N220-P266 WeakPolarHBondContact OD1-CB 3.49Å; N220-P266 WeakPolarHBondContact OD1-CG 3.28Å; N220-C292 PolarHBondContact ND2-O 3.35Å; N220-D293 WeakPolarHBondContact CB-O 3.28Å; N220-I294 HydrophobicContact CB-CD1 4.15Å; N220-R295 PolarHBondContact O-N 3.49Å; N220-H296 PolarHBondContact O-N 3.36Å | ||
| 221 | T | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 123.6 | -168.8 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | C212 V219 P266 H268 H296 V298 | C212-T221 PolarHBondContact SG-OG1 3.11Å; V219-T221 PolarHBondContact O-N 2.8Å; V219-T221 VanDerWaalsContact O-N 3.11Å; V219-T221 PolarHBondContact O-OG1 3.41Å; T221-P266 PolarHBondContact N-O 3.25Å; T221-H268 PolarHBondContact O-N 3.19Å; T221-H296 CarbonylContact C-O 3.42Å; T221-H296 VanDerWaalsContact CA-O 3.28Å; T221-H296 WeakPolarHBondContact CA-O 3.27Å; T221-H296 HydrophobicContact CG2-CB 4.27Å; T221-H296 WeakPolarHBondContact CG2-ND1 3.42Å; T221-V298 HydrophobicContact CG2-CG2 4.31Å |
| 222 | L | 97.8 | Very high | 91 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 123.8 | 175.9 | 177.5 | 63.2 | 0 | 0 | 0 | 111 | H268 T270 I285 H288 I294 H296 V297 V298 | L222-H268 CarbonylContact C-O 3.59Å; L222-H268 WeakPolarHBondContact CA-O 3.33Å; L222-H268 HydrophobicContact CD1-CB 3.72Å; L222-T270 HydrophobicContact CD1-CG2 4.01Å; L222-T270 HydrophobicContact CG-CG2 4.43Å; L222-I285 HydrophobicContact CD2-CB 4.49Å; L222-I285 HydrophobicContact CD2-CG1 4.21Å; L222-I285 HydrophobicContact CD2-CG2 4.46Å; L222-H288 HydrophobicContact CD2-CB 4.22Å; L222-I294 HydrophobicContact CB-CD1 4.09Å; L222-I294 HydrophobicContact CB-CG1 4.12Å; L222-I294 HydrophobicContact CB-CG2 3.71Å; L222-H296 PolarHBondContact N-O 2.92Å; L222-V297 CarbonylContact O-C 3.27Å; L222-V297 WeakPolarHBondContact O-CA 3.23Å; L222-V298 PolarHBondContact O-N 3.27Å |
| 223 | W | 97.3 | Very high | 91 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 0% | 0.004 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 120.3 | 174.1 | -86.4 | 77.8 | 0 | 0 | 0 | 112 | T201 I204 S205 S208 L233 M237 H268 F269 T270 V298 | T201-W223 HydrophobicContact CG2-CZ3 4.23Å; I204-W223 HydrophobicContact CB-CH2 3.87Å; I204-W223 HydrophobicContact CB-CZ2 4.27Å; I204-W223 HydrophobicContact CG2-CH2 3.63Å; I204-W223 HydrophobicContact CG2-CZ2 3.67Å; S205-W223 VanDerWaalsContact CA-CZ2 3.47Å; S208-W223 WeakPolarHBondContact OG-CZ2 3.14Å; S208-W223 PolarHBondContact OG-NE1 3.33Å; S208-W223 VanDerWaalsContact OG-NE1 3.16Å; W223-L233 HydrophobicContact CB-CD2 4.39Å; W223-L233 HydrophobicContact CD2-CD2 3.82Å; W223-L233 HydrophobicContact CE3-CD1 4.28Å; W223-L233 HydrophobicContact CE3-CD2 3.39Å; W223-L233 HydrophobicContact CE3-CG 4.45Å; W223-L233 HydrophobicContact CG-CD2 4.26Å; W223-L233 HydrophobicContact CH2-CD1 4.25Å; W223-L233 HydrophobicContact CZ3-CD1 3.94Å; W223-L233 HydrophobicContact CZ3-CD2 3.91Å; W223-M237 HydrophobicContact CD2-CE 4.13Å; W223-M237 HydrophobicContact CG-CE 4.44Å; W223-M237 HydrophobicContact CZ2-CE 3.84Å; W223-H268 PolarHBondContact N-O 2.94Å; W223-F269 HydrophobicContact CB-CD1 3.52Å; W223-F269 HydrophobicContact CB-CE1 3.82Å; W223-F269 HydrophobicContact CB-CG 4.42Å; W223-F269 HydrophobicContact CG-CD1 4.2Å; W223-F269 AromaticContact CG-CE1 3.98Å; W223-F269 HydrophobicContact CG-CE1 3.98Å; W223-F269 WeakPolarHBondContact O-CA 3.42Å; W223-T270 PolarHBondContact O-N 3.01Å; W223-T270 PolarHBondContact O-OG1 2.92Å; W223-V298 HydrophobicContact CD2-CB 3.93Å; W223-V298 HydrophobicContact CD2-CG1 3.93Å; W223-V298 HydrophobicContact CD2-CG2 4.38Å; W223-V298 HydrophobicContact CE3-CB 4.21Å; W223-V298 HydrophobicContact CE3-CG1 3.73Å; W223-V298 HydrophobicContact CG-CB 4.27Å; W223-V298 HydrophobicContact CH2-CG1 3.88Å; W223-V298 HydrophobicContact CZ2-CB 4.4Å; W223-V298 HydrophobicContact CZ2-CG1 4.01Å; W223-V298 HydrophobicContact CZ2-CG2 4.21Å; W223-V298 HydrophobicContact CZ3-CG1 3.72Å |
| 224 | C | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 82 | 172.5 | -49.7 | 0 | 0 | 0 | 0 | 108.7 | F226 T270 V298 V299 D300 | C224-F226 HydrophobicContact CB-CE2 3.61Å; C224-F226 HydrophobicContact CB-CZ 3.9Å; C224-F226 WeakPolarHBondContact O-CD2 3.23Å; C224-F226 WeakPolarHBondContact O-CE2 3.48Å; C224-T270 WeakPolarHBondContact CA-OG1 3.27Å; C224-T270 HydrophobicContact CB-CG2 4.14Å; C224-T270 WeakPolarHBondContact SG-CG2 3.34Å; C224-V298 WeakPolarHBondContact CA-O 3.32Å; C224-V298 WeakPolarHBondContact CB-O 3.04Å; C224-V298 PolarHBondContact N-O 3.28Å; C224-V299 HydrophobicContact CB-CG2 4.24Å; C224-D300 PolarHBondContact O-N 3.5Å |
| 225 | S | 91.5 | Very high | 91.5 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 113.4 | -177.2 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | V228 D300 | S225-V228 WeakPolarHBondContact CB-O 3.27Å; S225-V228 PolarHBondContact OG-N 2.83Å; S225-V228 PolarHBondContact OG-O 2.64Å; S225-D300 CarbonylContact C-O 3.55Å |
| 226 | F | 89 | Confident | 92.3 | Very high | 28 Ų | 28 | 48.7 Ų | 48.7 | 12% | 0.123 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -108 | -24.8 | 179.3 | -54.7 | -76.5 | 0 | 0 | 0 | 112.4 | C224 F272 F276 V281 V299 D300 F304 L305 | C224-F226 HydrophobicContact CB-CE2 3.61Å; C224-F226 HydrophobicContact CB-CZ 3.9Å; C224-F226 WeakPolarHBondContact O-CD2 3.23Å; C224-F226 WeakPolarHBondContact O-CE2 3.48Å; F226-F272 HydrophobicContact CD1-CD2 4.37Å; F226-F272 HydrophobicContact CE1-CB 4.31Å; F226-F272 AromaticContact CE1-CD2 3.41Å; F226-F272 HydrophobicContact CE1-CD2 3.41Å; F226-F272 VanDerWaalsContact CE1-CD2 3.41Å; F226-F272 AromaticContact CE1-CE2 3.97Å; F226-F272 HydrophobicContact CE1-CE2 3.97Å; F226-F272 HydrophobicContact CE1-CG 4.04Å; F226-F272 AromaticContact CZ-CD2 3.94Å; F226-F272 HydrophobicContact CZ-CD2 3.94Å; F226-F272 HydrophobicContact CZ-CE2 4.08Å; F226-F276 HydrophobicContact CB-CZ 4.44Å; F226-F276 HydrophobicContact CD1-CD1 4.39Å; F226-F276 AromaticContact CD1-CE1 3.55Å; F226-F276 HydrophobicContact CD1-CE1 3.55Å; F226-F276 AromaticContact CD1-CE2 3.91Å; F226-F276 HydrophobicContact CD1-CE2 3.91Å; F226-F276 AromaticContact CD1-CZ 3.26Å; F226-F276 HydrophobicContact CD1-CZ 3.26Å; F226-F276 HydrophobicContact CE1-CD2 4.38Å; F226-F276 HydrophobicContact CE1-CE1 4.09Å; F226-F276 AromaticContact CE1-CE2 3.89Å; F226-F276 HydrophobicContact CE1-CE2 3.89Å; F226-F276 AromaticContact CE1-CZ 3.72Å; F226-F276 HydrophobicContact CE1-CZ 3.72Å; F226-F276 HydrophobicContact CG-CZ 4.06Å; F226-V281 HydrophobicContact CE1-CG1 4.38Å; F226-V281 HydrophobicContact CE1-CG2 3.9Å; F226-V281 HydrophobicContact CE2-CG1 4.43Å; F226-V281 HydrophobicContact CZ-CB 4.48Å; F226-V281 HydrophobicContact CZ-CG1 3.62Å; F226-V281 HydrophobicContact CZ-CG2 3.98Å; F226-V299 HydrophobicContact CE2-CG1 4.23Å; F226-D300 PolarHBondContact N-O 2.64Å; F226-F304 HydrophobicContact CB-CB 3.79Å; F226-F304 HydrophobicContact CB-CG 4.38Å; F226-L305 HydrophobicContact CD1-CD2 4.02Å; F226-L305 HydrophobicContact CD2-CD1 4.1Å; F226-L305 HydrophobicContact CD2-CD2 3.69Å; F226-L305 HydrophobicContact CD2-CG 3.72Å; F226-L305 HydrophobicContact CE1-CD2 3.75Å; F226-L305 HydrophobicContact CE2-CD1 3.76Å; F226-L305 HydrophobicContact CE2-CD2 3.44Å; F226-L305 VanDerWaalsContact CE2-CD2 3.44Å; F226-L305 HydrophobicContact CE2-CG 3.74Å; F226-L305 HydrophobicContact CG-CD2 3.99Å; F226-L305 HydrophobicContact CG-CG 4.3Å; F226-L305 HydrophobicContact CZ-CD1 4.47Å; F226-L305 HydrophobicContact CZ-CD2 3.49Å; F226-L305 VanDerWaalsContact CZ-CD2 3.49Å; F226-L305 HydrophobicContact CZ-CG 4.3Å |
| 227 | E | 84.8 | Confident | 93 | Very high | 69 Ų | 69 | 40.9 Ų | 40.9 | 32% | 0.322 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -84.5 | -40.3 | 176.4 | -177.3 | 165.8 | -179.4 | 0 | 0 | 112.3 | D300 N301 F304 H343 | E227-D300 PolarHBondContact N-O 2.76Å; E227-N301 PolarHBondContact OE2-ND2 2.88Å; E227-F304 HydrophobicContact CB-CD2 3.65Å; E227-F304 HydrophobicContact CB-CE2 3.39Å; E227-F304 HydrophobicContact CB-CZ 4.16Å; E227-F304 HydrophobicContact CG-CD2 4.17Å; E227-F304 HydrophobicContact CG-CE2 3.39Å; E227-F304 HydrophobicContact CG-CZ 3.97Å; E227-H343 IonicContact OE2-NE2 3.67Å; E227-H343 PolarHBondContact OE2-NE2 3.05Å |
| 228 | V | 87.6 | Confident | 93.7 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 22% | 0.218 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -114 | 129 | -174.5 | -178.6 | 0 | 0 | 0 | 0 | 110.1 | T201 S225 R232 L233 | T201-V228 HydrophobicContact CG2-CG2 4.15Å; S225-V228 WeakPolarHBondContact CB-O 3.27Å; S225-V228 PolarHBondContact OG-N 2.83Å; S225-V228 PolarHBondContact OG-O 2.64Å; V228-R232 HydrophobicContact CG1-CB 3.93Å; V228-R232 HydrophobicContact CG1-CG 3.9Å; V228-L233 HydrophobicContact CG1-CB 4.46Å |
| 229 | G | 90 | Very high | 94 | Very high | 52 Ų | 52 | 31 Ų | 31 | 54% | 0.536 | 18% | 0.176 | S | C | . | . | trans | -61.1 | 140.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A231 R232 L233 | G229-A231 VanDerWaalsContact C-N 3.29Å; G229-A231 PolarHBondContact O-N 3.49Å; G229-R232 WeakPolarHBondContact O-CA 3.36Å; G229-R232 WeakPolarHBondContact O-CB 3.32Å; G229-R232 PolarHBondContact O-N 2.89Å; G229-L233 PolarHBondContact O-N 3.32Å | ||
| 230 | T | 92.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 30.8 Ų | 30.8 | 28% | 0.282 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -54.1 | -41 | -174.3 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | R232 L233 I234 F269 | T230-R232 VanDerWaalsContact C-N 3.32Å; T230-R232 PolarHBondContact O-N 3.18Å; T230-L233 PolarHBondContact O-N 3.47Å; T230-I234 HydrophobicContact CG2-CD1 3.94Å; T230-I234 HydrophobicContact CG2-CG1 4.44Å; T230-I234 WeakPolarHBondContact O-CG1 3.27Å; T230-I234 PolarHBondContact O-N 2.92Å; T230-F269 HydrophobicContact CG2-CB 3.74Å; T230-F269 HydrophobicContact CG2-CD1 3.99Å; T230-F269 HydrophobicContact CG2-CG 3.86Å |
| 231 | A | 93 | Very high | 94.1 | Very high | 81 Ų | 81 | 29.3 Ų | 29.3 | 67% | 0.669 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -61.7 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G229 H235 | G229-A231 VanDerWaalsContact C-N 3.29Å; G229-A231 PolarHBondContact O-N 3.49Å; A231-H235 WeakPolarHBondContact O-CB 3.17Å; A231-H235 PolarHBondContact O-N 2.8Å |
| 232 | R | 93.8 | Very high | 93.9 | Very high | 158 Ų | 158 | 30.9 Ų | 30.9 | 60% | 0.596 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -69 | -39.7 | 176.4 | -178.2 | 63.1 | 175.2 | -167 | 0.3 | 111.1 | V228 G229 T230 H235 V236 | V228-R232 HydrophobicContact CG1-CB 3.93Å; V228-R232 HydrophobicContact CG1-CG 3.9Å; G229-R232 WeakPolarHBondContact O-CA 3.36Å; G229-R232 WeakPolarHBondContact O-CB 3.32Å; G229-R232 PolarHBondContact O-N 2.89Å; T230-R232 VanDerWaalsContact C-N 3.32Å; T230-R232 PolarHBondContact O-N 3.18Å; R232-H235 PolarHBondContact O-N 2.9Å; R232-V236 WeakPolarHBondContact O-CG2 3.47Å; R232-V236 PolarHBondContact O-N 2.87Å |
| 233 | L | 94.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -46.5 | 176.1 | 179.8 | 61.8 | 0 | 0 | 0 | 111.5 | T201 W223 V228 G229 T230 H235 V236 M237 F269 | T201-L233 HydrophobicContact CG2-CD1 4.09Å; W223-L233 HydrophobicContact CB-CD2 4.39Å; W223-L233 HydrophobicContact CD2-CD2 3.82Å; W223-L233 HydrophobicContact CE3-CD1 4.28Å; W223-L233 HydrophobicContact CE3-CD2 3.39Å; W223-L233 HydrophobicContact CE3-CG 4.45Å; W223-L233 HydrophobicContact CG-CD2 4.26Å; W223-L233 HydrophobicContact CH2-CD1 4.25Å; W223-L233 HydrophobicContact CZ3-CD1 3.94Å; W223-L233 HydrophobicContact CZ3-CD2 3.91Å; V228-L233 HydrophobicContact CG1-CB 4.46Å; G229-L233 PolarHBondContact O-N 3.32Å; T230-L233 PolarHBondContact O-N 3.47Å; L233-H235 VanDerWaalsContact C-N 3.33Å; L233-H235 PolarHBondContact O-N 3.05Å; L233-V236 WeakPolarHBondContact O-CB 3.37Å; L233-V236 PolarHBondContact O-N 2.77Å; L233-M237 HydrophobicContact CD1-CE 4.11Å; L233-M237 HydrophobicContact CD2-CE 4.36Å; L233-M237 HydrophobicContact CG-CE 4.1Å; L233-M237 HydrophobicContact CG-SD 4.49Å; L233-M237 WeakPolarHBondContact O-CG 3.27Å; L233-M237 PolarHBondContact O-N 3.13Å; L233-F269 HydrophobicContact CD2-CD1 4.03Å; L233-F269 HydrophobicContact CD2-CE1 3.72Å; L233-F269 HydrophobicContact CG-CE1 4.28Å |
| 234 | I | 96.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.5 | -71.2 | 171.4 | 0 | 0 | 0 | 110.7 | T230 V236 M237 L238 Y259 L262 F269 | T230-I234 HydrophobicContact CG2-CD1 3.94Å; T230-I234 HydrophobicContact CG2-CG1 4.44Å; T230-I234 WeakPolarHBondContact O-CG1 3.27Å; T230-I234 PolarHBondContact O-N 2.92Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.44Å; I234-M237 PolarHBondContact O-N 3.3Å; I234-M237 VanDerWaalsContact O-N 3.11Å; I234-L238 HydrophobicContact CG2-CD1 4.21Å; I234-L238 HydrophobicContact CG2-CG 4.36Å; I234-L238 WeakPolarHBondContact O-CG 3.36Å; I234-L238 PolarHBondContact O-N 2.84Å; I234-Y259 HydrophobicContact CG2-CE2 4.21Å; I234-L262 HydrophobicContact CG2-CD2 3.86Å; I234-F269 HydrophobicContact CD1-CE2 4.38Å; I234-F269 HydrophobicContact CG1-CE1 4.47Å; I234-F269 HydrophobicContact CG1-CE2 4.24Å; I234-F269 HydrophobicContact CG1-CZ 4.1Å |
| 235 | H | 95.9 | Very high | 93.3 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 24% | 0.241 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.7 | -42.6 | 174.5 | 174.5 | -113.1 | 0 | 0 | 0 | 112.7 | A231 R232 L233 L238 Q239 V246 | A231-H235 WeakPolarHBondContact O-CB 3.17Å; A231-H235 PolarHBondContact O-N 2.8Å; R232-H235 PolarHBondContact O-N 2.9Å; L233-H235 VanDerWaalsContact C-N 3.33Å; L233-H235 PolarHBondContact O-N 3.05Å; H235-L238 PolarHBondContact O-N 2.94Å; H235-Q239 PolarHBondContact O-N 3.11Å; H235-V246 PolarHBondContact NE2-O 3.24Å |
| 236 | V | 96.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62 | -46.1 | 173.3 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | T202 R232 L233 I234 L238 Q239 Q240 L419 | T202-V236 HydrophobicContact CG2-CG1 4.21Å; R232-V236 WeakPolarHBondContact O-CG2 3.47Å; R232-V236 PolarHBondContact O-N 2.87Å; L233-V236 WeakPolarHBondContact O-CB 3.37Å; L233-V236 PolarHBondContact O-N 2.77Å; I234-V236 VanDerWaalsContact C-N 3.32Å; I234-V236 PolarHBondContact O-N 3.44Å; V236-L238 PolarHBondContact O-N 3.37Å; V236-Q239 PolarHBondContact O-N 2.94Å; V236-Q240 HydrophobicContact CG1-CG 4.3Å; V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.28Å; V236-Q240 PolarHBondContact O-N 3.44Å; V236-L419 HydrophobicContact CB-CD1 4.32Å; V236-L419 HydrophobicContact CG1-CB 4.4Å; V236-L419 HydrophobicContact CG1-CD1 4.12Å; V236-L419 HydrophobicContact CG2-CD1 3.81Å |
| 237 | M | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -38.8 | 179.5 | -72.5 | 178.8 | 172.7 | 0 | 0 | 112.8 | L209 W223 L233 I234 Q239 Q240 L241 L262 L267 F269 | L209-M237 HydrophobicContact CD1-CB 4.02Å; L209-M237 HydrophobicContact CD1-CG 4.14Å; L209-M237 HydrophobicContact CD2-CB 4.31Å; L209-M237 HydrophobicContact CD2-CG 4.46Å; L209-M237 HydrophobicContact CG-CB 4.48Å; L209-M237 HydrophobicContact CG-CG 4.33Å; W223-M237 HydrophobicContact CD2-CE 4.13Å; W223-M237 HydrophobicContact CG-CE 4.44Å; W223-M237 HydrophobicContact CZ2-CE 3.84Å; L233-M237 HydrophobicContact CD1-CE 4.11Å; L233-M237 HydrophobicContact CD2-CE 4.36Å; L233-M237 HydrophobicContact CG-CE 4.1Å; L233-M237 HydrophobicContact CG-SD 4.49Å; L233-M237 WeakPolarHBondContact O-CG 3.27Å; L233-M237 PolarHBondContact O-N 3.13Å; I234-M237 PolarHBondContact O-N 3.3Å; I234-M237 VanDerWaalsContact O-N 3.11Å; M237-Q239 VanDerWaalsContact C-N 3.33Å; M237-Q239 PolarHBondContact O-N 3.12Å; M237-Q240 PolarHBondContact O-N 3.28Å; M237-L241 VanDerWaalsContact O-CB 3.28Å; M237-L241 WeakPolarHBondContact O-CB 3.25Å; M237-L241 PolarHBondContact O-N 3.28Å; M237-L262 HydrophobicContact CB-CD1 4.16Å; M237-L262 HydrophobicContact CB-CD2 4.39Å; M237-L267 HydrophobicContact SD-CD1 4.18Å; M237-F269 HydrophobicContact CE-CE1 4.12Å; M237-F269 HydrophobicContact CE-CZ 4.24Å; M237-F269 HydrophobicContact SD-CE1 4.09Å; M237-F269 HydrophobicContact SD-CZ 3.74Å |
| 238 | L | 96.8 | Very high | 94.1 | Very high | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59 | -43.9 | 175.2 | -73.5 | 170.6 | 0 | 0 | 0 | 111.7 | I234 H235 V236 N242 V246 L255 M258 L262 | I234-L238 HydrophobicContact CG2-CD1 4.21Å; I234-L238 HydrophobicContact CG2-CG 4.36Å; I234-L238 WeakPolarHBondContact O-CG 3.36Å; I234-L238 PolarHBondContact O-N 2.84Å; H235-L238 PolarHBondContact O-N 2.94Å; V236-L238 PolarHBondContact O-N 3.37Å; L238-N242 WeakPolarHBondContact O-CB 3.22Å; L238-N242 PolarHBondContact O-N 3.39Å; L238-N242 PolarHBondContact O-ND2 3.4Å; L238-V246 HydrophobicContact CB-CG2 4.43Å; L238-L255 HydrophobicContact CD1-CD1 4.25Å; L238-M258 HydrophobicContact CD2-CB 4.17Å; L238-M258 WeakPolarHBondContact CD2-O 3.4Å; L238-L262 HydrophobicContact CD2-CB 4.02Å; L238-L262 HydrophobicContact CD2-CD2 3.81Å; L238-L262 HydrophobicContact CG-CD2 4.02Å |
| 239 | Q | 96.5 | Very high | 94.4 | Very high | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.051 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 177.1 | -66.6 | -176.7 | 119.7 | 0 | 0 | 112.2 | H235 V236 M237 C243 R244 V246 T418 | H235-Q239 PolarHBondContact O-N 3.11Å; V236-Q239 PolarHBondContact O-N 2.94Å; M237-Q239 VanDerWaalsContact C-N 3.33Å; M237-Q239 PolarHBondContact O-N 3.12Å; Q239-C243 WeakPolarHBondContact O-CA 3.02Å; Q239-C243 PolarHBondContact O-N 2.97Å; Q239-R244 VanDerWaalsContact CA-O 3.25Å; Q239-R244 WeakPolarHBondContact CA-O 3.41Å; Q239-R244 WeakPolarHBondContact CB-O 3.18Å; Q239-R244 PolarHBondContact O-N 2.67Å; Q239-V246 HydrophobicContact CG-CB 3.62Å; Q239-V246 HydrophobicContact CG-CG2 3.66Å; Q239-T418 CarbonylContact C-O 3.45Å |
| 240 | Q | 96.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.6 | -38.5 | -178.8 | -72.7 | 176.9 | -25 | 0 | 0 | 113.7 | R173 T202 S205 L206 L209 V236 M237 L419 T420 | R173-Q240 PolarHBondContact NH1-O 3.27Å; T202-Q240 PolarHBondContact O-NE2 3.39Å; S205-Q240 VanDerWaalsContact OG-CD 3.3Å; S205-Q240 PolarHBondContact OG-NE2 3.45Å; S205-Q240 VanDerWaalsContact OG-NE2 3.14Å; S205-Q240 PolarHBondContact OG-OE1 3.25Å; L206-Q240 HydrophobicContact CD1-CB 4.27Å; L209-Q240 HydrophobicContact CD1-CB 3.68Å; V236-Q240 HydrophobicContact CG1-CG 4.3Å; V236-Q240 VanDerWaalsContact O-CG 3.31Å; V236-Q240 WeakPolarHBondContact O-CG 3.28Å; V236-Q240 PolarHBondContact O-N 3.44Å; M237-Q240 PolarHBondContact O-N 3.28Å; Q240-L419 HydrophobicContact CG-CB 4.45Å; Q240-L419 WeakPolarHBondContact CG-O 3.41Å; Q240-L419 PolarHBondContact NE2-O 3.03Å; Q240-T420 HydrophobicContact CB-CG2 4.15Å; Q240-T420 HydrophobicContact CG-CG2 4Å |
| 241 | L | 95 | Very high | 94.8 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 178.9 | -177.8 | 62.2 | 0 | 0 | 0 | 111 | L209 M237 R261 L262 L265 | L209-L241 HydrophobicContact CD1-CB 4.29Å; M237-L241 VanDerWaalsContact O-CB 3.28Å; M237-L241 WeakPolarHBondContact O-CB 3.25Å; M237-L241 PolarHBondContact O-N 3.28Å; L241-R261 HydrophobicContact CD2-CB 4.3Å; L241-L262 HydrophobicContact CD2-CB 4Å; L241-L262 HydrophobicContact CD2-CD1 3.88Å; L241-L265 HydrophobicContact CD1-CD1 4.25Å; L241-L265 HydrophobicContact CD2-CD1 4.22Å |
| 242 | N | 93.8 | Very high | 94.9 | Very high | 33 Ų | 33 | 58.5 Ų | 58.5 | 18% | 0.176 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -92.9 | -2.1 | -176.4 | -65.5 | -81.4 | 0 | 0 | 0 | 113.7 | L238 R244 M258 R261 | L238-N242 WeakPolarHBondContact O-CB 3.22Å; L238-N242 PolarHBondContact O-N 3.39Å; L238-N242 PolarHBondContact O-ND2 3.4Å; N242-R244 PolarHBondContact O-N 3.32Å; N242-R244 VanDerWaalsContact O-N 3.14Å; N242-M258 HydrophobicContact CB-CE 3.28Å; N242-M258 VanDerWaalsContact CG-CE 3.41Å; N242-M258 WeakPolarHBondContact ND2-CE 3.49Å; N242-R261 PolarHBondContact OD1-NH1 2.81Å |
| 243 | C | 92.3 | Very high | 95 | Very high | 76 Ų | 76 | 57.4 Ų | 57.4 | 51% | 0.514 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.7 | 37.1 | -176.4 | -60.3 | 0 | 0 | 0 | 0 | 113 | Q239 T418 | Q239-C243 WeakPolarHBondContact O-CA 3.02Å; Q239-C243 PolarHBondContact O-N 2.97Å; C243-T418 WeakPolarHBondContact O-CG2 3.48Å |
| 244 | R | 92.6 | Very high | 95.1 | Very high | 102 Ų | 102 | 60.1 Ų | 60.1 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -141.3 | 144.5 | -176.2 | -176.5 | -179.2 | 164.6 | 166 | -9.6 | 109.7 | Q239 N242 E254 | Q239-R244 VanDerWaalsContact CA-O 3.25Å; Q239-R244 WeakPolarHBondContact CA-O 3.41Å; Q239-R244 WeakPolarHBondContact CB-O 3.18Å; Q239-R244 PolarHBondContact O-N 2.67Å; N242-R244 PolarHBondContact O-N 3.32Å; N242-R244 VanDerWaalsContact O-N 3.14Å; R244-E254 IonicContact CZ-OE1 3.63Å; R244-E254 IonicContact CZ-OE2 3.15Å; R244-E254 IonicContact NE-OE1 3.75Å; R244-E254 IonicContact NH1-OE1 2.65Å; R244-E254 PolarHBondContact NH1-OE1 3.09Å; R244-E254 IonicContact NH1-OE2 2.54Å; R244-E254 PolarHBondContact NH1-OE2 3.46Å; R244-E254 IonicContact NH2-OE1 2.64Å; R244-E254 IonicContact NH2-OE2 3.74Å; R244-E254 PolarHBondContact NH2-OE2 2.94Å |
| 245 | K | 93.7 | Very high | 95.1 | Very high | 107 Ų | 107 | 62.1 Ų | 62.1 | 47% | 0.465 | 31% | 0.305 | S | S | . | . | trans | -65.8 | 133.1 | 170.8 | -169.9 | -174.8 | 177.7 | -146.6 | 0 | 110.1 | D247 E417 | K245-D247 WeakPolarHBondContact CD-OD2 3.4Å; K245-D247 WeakPolarHBondContact CE-OD2 3.36Å; K245-D247 IonicContact NZ-OD2 2.98Å; K245-D247 PolarHBondContact NZ-OD2 3.04Å; K245-E417 WeakPolarHBondContact CA-O 3.42Å; K245-E417 WeakPolarHBondContact CB-O 3.47Å | ||
| 246 | V | 93.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 64.6 Ų | 64.6 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | trans | -112 | 104.8 | 176.7 | 177 | 0 | 0 | 0 | 0 | 107.7 | H235 L238 Q239 L255 M258 | H235-V246 PolarHBondContact NE2-O 3.24Å; L238-V246 HydrophobicContact CB-CG2 4.43Å; Q239-V246 HydrophobicContact CG-CB 3.62Å; Q239-V246 HydrophobicContact CG-CG2 3.66Å; V246-L255 HydrophobicContact CG1-CD1 3.86Å; V246-M258 HydrophobicContact CG2-CE 3.32Å; V246-M258 HydrophobicContact CG2-SD 3.96Å | ||
| 247 | D | 93.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 68 Ų | 68 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -138.3 | -170.1 | 177.3 | 62.3 | 19.1 | 0 | 0 | 0 | 109.6 | K245 T249 V250 | K245-D247 WeakPolarHBondContact CD-OD2 3.4Å; K245-D247 WeakPolarHBondContact CE-OD2 3.36Å; K245-D247 IonicContact NZ-OD2 2.98Å; K245-D247 PolarHBondContact NZ-OD2 3.04Å; D247-T249 PolarHBondContact O-N 3.35Å; D247-T249 VanDerWaalsContact OD1-CB 3.3Å; D247-T249 WeakPolarHBondContact OD1-CB 3.4Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.49Å; D247-T249 PolarHBondContact OD1-N 3.32Å; D247-T249 PolarHBondContact OD1-OG1 3.05Å; D247-V250 PolarHBondContact O-N 3.26Å; D247-V250 VanDerWaalsContact O-N 3.12Å |
| 248 | E | 93.6 | Very high | 95.1 | Very high | 185 Ų | 185 | 68.3 Ų | 68.3 | 86% | 0.864 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -8.9 | -176.4 | -56.5 | 84.4 | 176.3 | 0 | 0 | 113.7 | ||
| 249 | T | 94 | Very high | 95.1 | Very high | 111 Ų | 111 | 73.1 Ų | 73.1 | 68% | 0.681 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.9 | 176.6 | 72.7 | 0 | 0 | 0 | 0 | 113.6 | D247 | D247-T249 PolarHBondContact O-N 3.35Å; D247-T249 VanDerWaalsContact OD1-CB 3.3Å; D247-T249 WeakPolarHBondContact OD1-CB 3.4Å; D247-T249 WeakPolarHBondContact OD1-CG2 3.49Å; D247-T249 PolarHBondContact OD1-N 3.32Å; D247-T249 PolarHBondContact OD1-OG1 3.05Å |
| 250 | V | 94.5 | Very high | 95.1 | Very high | 18 Ų | 18 | 76.9 Ų | 76.9 | 11% | 0.109 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -78 | 127.5 | 177.7 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | D247 E254 L255 M258 | D247-V250 PolarHBondContact O-N 3.26Å; D247-V250 VanDerWaalsContact O-N 3.12Å; V250-E254 HydrophobicContact CG1-CB 3.88Å; V250-E254 HydrophobicContact CG1-CG 3.8Å; V250-L255 HydrophobicContact CG1-CB 4.21Å; V250-M258 HydrophobicContact CG1-SD 4.19Å |
| 251 | S | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 82.3 Ų | 82.3 | 38% | 0.378 | 40% | 0.398 | S | S | . | . | trans | -67.2 | 158.6 | 178.5 | 92.3 | 0 | 0 | 0 | 0 | 111.2 | E253 E254 L255 | S251-E253 VanDerWaalsContact C-N 3.3Å; S251-E253 WeakPolarHBondContact CB-OE2 3.37Å; S251-E253 PolarHBondContact O-N 3.36Å; S251-E253 PolarHBondContact OG-N 2.83Å; S251-E253 PolarHBondContact OG-OE2 3.46Å; S251-E254 PolarHBondContact O-N 3.48Å; S251-E254 PolarHBondContact OG-N 3.34Å; S251-L255 WeakPolarHBondContact O-CB 3.41Å; S251-L255 PolarHBondContact O-N 2.92Å | ||
| 252 | R | 95.7 | Very high | 95.1 | Very high | 203 Ų | 203 | 82.4 Ų | 82.4 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -61.7 | -40.2 | 179.7 | -173.4 | 178.5 | -175 | 178.7 | 1.4 | 111.9 | E254 L255 E256 | R252-E254 VanDerWaalsContact C-N 3.34Å; R252-L255 PolarHBondContact O-N 3.38Å; R252-E256 PolarHBondContact O-N 2.93Å |
| 253 | E | 96.8 | Very high | 95.2 | Very high | 135 Ų | 135 | 84.1 Ų | 84.1 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 179.1 | -54.8 | 74.2 | -158.5 | 0 | 0 | 111.1 | S251 T257 | S251-E253 VanDerWaalsContact C-N 3.3Å; S251-E253 WeakPolarHBondContact CB-OE2 3.37Å; S251-E253 PolarHBondContact O-N 3.36Å; S251-E253 PolarHBondContact OG-N 2.83Å; S251-E253 PolarHBondContact OG-OE2 3.46Å; E253-T257 PolarHBondContact O-N 2.85Å; E253-T257 VanDerWaalsContact O-N 3.1Å; E253-T257 PolarHBondContact O-OG1 3.11Å |
| 254 | E | 96.1 | Very high | 95.3 | Very high | 59 Ų | 59 | 87 Ų | 87 | 28% | 0.276 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.5 | -45.8 | 174.5 | -178.1 | 172 | -167 | 0 | 0 | 110.9 | R244 V250 S251 R252 E256 T257 M258 | R244-E254 IonicContact CZ-OE1 3.63Å; R244-E254 IonicContact CZ-OE2 3.15Å; R244-E254 IonicContact NE-OE1 3.75Å; R244-E254 IonicContact NH1-OE1 2.65Å; R244-E254 PolarHBondContact NH1-OE1 3.09Å; R244-E254 IonicContact NH1-OE2 2.54Å; R244-E254 PolarHBondContact NH1-OE2 3.46Å; R244-E254 IonicContact NH2-OE1 2.64Å; R244-E254 IonicContact NH2-OE2 3.74Å; R244-E254 PolarHBondContact NH2-OE2 2.94Å; V250-E254 HydrophobicContact CG1-CB 3.88Å; V250-E254 HydrophobicContact CG1-CG 3.8Å; S251-E254 PolarHBondContact O-N 3.48Å; S251-E254 PolarHBondContact OG-N 3.34Å; R252-E254 VanDerWaalsContact C-N 3.34Å; E254-E256 VanDerWaalsContact C-N 3.32Å; E254-E256 PolarHBondContact O-N 3.38Å; E254-T257 WeakPolarHBondContact O-CB 3.41Å; E254-T257 PolarHBondContact O-N 3.26Å; E254-M258 HydrophobicContact CG-CG 4.47Å; E254-M258 HydrophobicContact CG-SD 4.25Å; E254-M258 VanDerWaalsContact O-CG 3.28Å; E254-M258 WeakPolarHBondContact O-CG 3.37Å; E254-M258 PolarHBondContact O-N 3.11Å |
| 255 | L | 96.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 83 Ų | 83 | 38% | 0.377 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -41 | 178.2 | -176.7 | 62.5 | 0 | 0 | 0 | 112.1 | L238 V246 V250 S251 R252 M258 Y259 | L238-L255 HydrophobicContact CD1-CD1 4.25Å; V246-L255 HydrophobicContact CG1-CD1 3.86Å; V250-L255 HydrophobicContact CG1-CB 4.21Å; S251-L255 WeakPolarHBondContact O-CB 3.41Å; S251-L255 PolarHBondContact O-N 2.92Å; R252-L255 PolarHBondContact O-N 3.38Å; L255-M258 WeakPolarHBondContact O-CB 3.28Å; L255-M258 PolarHBondContact O-N 3.44Å; L255-Y259 WeakPolarHBondContact O-CB 3.13Å; L255-Y259 PolarHBondContact O-N 3.36Å |
| 256 | E | 96.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 78.9 Ų | 78.9 | 49% | 0.486 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 175.4 | -162 | 70.2 | -164.1 | 0 | 0 | 110.8 | R252 E254 M258 Y259 D260 | R252-E256 PolarHBondContact O-N 2.93Å; E254-E256 VanDerWaalsContact C-N 3.32Å; E254-E256 PolarHBondContact O-N 3.38Å; E256-M258 VanDerWaalsContact C-N 3.31Å; E256-M258 PolarHBondContact O-N 3.22Å; E256-Y259 CarbonylContact O-C 3.55Å; E256-Y259 WeakPolarHBondContact O-CA 3.37Å; E256-Y259 WeakPolarHBondContact O-CB 3.46Å; E256-Y259 PolarHBondContact O-N 2.73Å; E256-D260 PolarHBondContact O-N 2.89Å |
| 257 | T | 97 | Very high | 95.7 | Very high | 85 Ų | 85 | 79.5 Ų | 79.5 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 177 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | E253 E254 Y259 R261 | E253-T257 PolarHBondContact O-N 2.85Å; E253-T257 VanDerWaalsContact O-N 3.1Å; E253-T257 PolarHBondContact O-OG1 3.11Å; E254-T257 WeakPolarHBondContact O-CB 3.41Å; E254-T257 PolarHBondContact O-N 3.26Å; T257-Y259 VanDerWaalsContact C-N 3.3Å; T257-R261 WeakPolarHBondContact O-CG 3.4Å; T257-R261 PolarHBondContact O-N 2.7Å |
| 258 | M | 96.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 80.2 Ų | 80.2 | 3% | 0.03 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 175.5 | -65.6 | 173.6 | 88.9 | 0 | 0 | 111.8 | L238 N242 V246 V250 E254 L255 E256 L262 | L238-M258 HydrophobicContact CD2-CB 4.17Å; L238-M258 WeakPolarHBondContact CD2-O 3.4Å; N242-M258 HydrophobicContact CB-CE 3.28Å; N242-M258 VanDerWaalsContact CG-CE 3.41Å; N242-M258 WeakPolarHBondContact ND2-CE 3.49Å; V246-M258 HydrophobicContact CG2-CE 3.32Å; V246-M258 HydrophobicContact CG2-SD 3.96Å; V250-M258 HydrophobicContact CG1-SD 4.19Å; E254-M258 HydrophobicContact CG-CG 4.47Å; E254-M258 HydrophobicContact CG-SD 4.25Å; E254-M258 VanDerWaalsContact O-CG 3.28Å; E254-M258 WeakPolarHBondContact O-CG 3.37Å; E254-M258 PolarHBondContact O-N 3.11Å; L255-M258 WeakPolarHBondContact O-CB 3.28Å; L255-M258 PolarHBondContact O-N 3.44Å; E256-M258 VanDerWaalsContact C-N 3.31Å; E256-M258 PolarHBondContact O-N 3.22Å; M258-L262 PolarHBondContact O-N 2.78Å |
| 259 | Y | 96.1 | Very high | 96 | Very high | 111 Ų | 111 | 74.2 Ų | 74.2 | 44% | 0.435 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.4 | -43.9 | 178.7 | -167.2 | -86.6 | 0 | 0 | 0 | 111.9 | I234 L255 E256 T257 R261 L262 A263 | I234-Y259 HydrophobicContact CG2-CE2 4.21Å; L255-Y259 WeakPolarHBondContact O-CB 3.13Å; L255-Y259 PolarHBondContact O-N 3.36Å; E256-Y259 CarbonylContact O-C 3.55Å; E256-Y259 WeakPolarHBondContact O-CA 3.37Å; E256-Y259 WeakPolarHBondContact O-CB 3.46Å; E256-Y259 PolarHBondContact O-N 2.73Å; T257-Y259 VanDerWaalsContact C-N 3.3Å; Y259-R261 PolarHBondContact O-N 2.89Å; Y259-L262 CarbonylContact O-C 3.58Å; Y259-L262 WeakPolarHBondContact O-CA 3.4Å; Y259-L262 WeakPolarHBondContact O-CB 3.27Å; Y259-L262 PolarHBondContact O-N 2.78Å; Y259-A263 HydrophobicContact CD1-CB 4.45Å; Y259-A263 HydrophobicContact CE1-CB 4.37Å; Y259-A263 WeakPolarHBondContact O-CB 3.43Å; Y259-A263 PolarHBondContact O-N 3.06Å |
| 260 | D | 96.6 | Very high | 95.9 | Very high | 91 Ų | 91 | 69.6 Ų | 69.6 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -54.5 | -43 | 175 | -74.7 | -24.4 | 0 | 0 | 0 | 111.1 | E256 L262 A263 L264 | E256-D260 PolarHBondContact O-N 2.89Å; D260-L262 PolarHBondContact O-N 2.96Å; D260-A263 PolarHBondContact O-N 3.04Å; D260-L264 WeakPolarHBondContact O-CG 3.39Å; D260-L264 PolarHBondContact O-N 3.2Å |
| 261 | R | 95 | Very high | 95.4 | Very high | 114 Ų | 114 | 78.8 Ų | 78.8 | 43% | 0.43 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 174.5 | -71.4 | -178.4 | 64.9 | -165 | 0.3 | 113 | L241 N242 T257 Y259 | L241-R261 HydrophobicContact CD2-CB 4.3Å; N242-R261 PolarHBondContact OD1-NH1 2.81Å; T257-R261 WeakPolarHBondContact O-CG 3.4Å; T257-R261 PolarHBondContact O-N 2.7Å; Y259-R261 PolarHBondContact O-N 2.89Å |
| 262 | L | 96.3 | Very high | 94.7 | Very high | 11 Ų | 11 | 78.8 Ų | 78.8 | 6% | 0.058 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -69.9 | -37 | 178.1 | -174.4 | 70.2 | 0 | 0 | 0 | 111.2 | L209 I234 M237 L238 L241 M258 Y259 D260 L264 L265 L267 | L209-L262 HydrophobicContact CD2-CD1 3.65Å; I234-L262 HydrophobicContact CG2-CD2 3.86Å; M237-L262 HydrophobicContact CB-CD1 4.16Å; M237-L262 HydrophobicContact CB-CD2 4.39Å; L238-L262 HydrophobicContact CD2-CB 4.02Å; L238-L262 HydrophobicContact CD2-CD2 3.81Å; L238-L262 HydrophobicContact CG-CD2 4.02Å; L241-L262 HydrophobicContact CD2-CB 4Å; L241-L262 HydrophobicContact CD2-CD1 3.88Å; M258-L262 PolarHBondContact O-N 2.78Å; Y259-L262 CarbonylContact O-C 3.58Å; Y259-L262 WeakPolarHBondContact O-CA 3.4Å; Y259-L262 WeakPolarHBondContact O-CB 3.27Å; Y259-L262 PolarHBondContact O-N 2.78Å; D260-L262 PolarHBondContact O-N 2.96Å; L262-L264 PolarHBondContact O-N 3.43Å; L262-L265 HydrophobicContact CD1-CD1 4.19Å; L262-L265 WeakPolarHBondContact O-CB 3.24Å; L262-L265 PolarHBondContact O-N 2.94Å; L262-L265 VanDerWaalsContact O-N 3.07Å; L262-L267 HydrophobicContact CD1-CD1 3.83Å |
| 263 | A | 95.7 | Very high | 93.4 | Very high | 69 Ų | 69 | 75 Ų | 75 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68 | -21 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y259 D260 L265 | Y259-A263 HydrophobicContact CD1-CB 4.45Å; Y259-A263 HydrophobicContact CE1-CB 4.37Å; Y259-A263 WeakPolarHBondContact O-CB 3.43Å; Y259-A263 PolarHBondContact O-N 3.06Å; D260-A263 PolarHBondContact O-N 3.04Å; A263-L265 PolarHBondContact O-N 3.23Å |
| 264 | L | 94.5 | Very high | 92.1 | Very high | 137 Ų | 137 | 72 Ų | 72 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -15.2 | 171.2 | -67.9 | 173.1 | 0 | 0 | 0 | 113.4 | D260 L262 | D260-L264 WeakPolarHBondContact O-CG 3.39Å; D260-L264 PolarHBondContact O-N 3.2Å; L262-L264 PolarHBondContact O-N 3.43Å |
| 265 | L | 96.4 | Very high | 91 | Very high | 19 Ų | 19 | 75.1 Ų | 75.1 | 10% | 0.099 | 40% | 0.399 | C | S | . | . | S | Bend | trans | -84.9 | 141.8 | 179.1 | -56.8 | -173.5 | 0 | 0 | 0 | 110.2 | L209 C212 E213 L241 L262 A263 L267 | L209-L265 HydrophobicContact CD2-CD1 3.68Å; C212-L265 HydrophobicContact CB-CB 4.02Å; C212-L265 HydrophobicContact CB-CD1 4.27Å; C212-L265 HydrophobicContact CB-CD2 4.45Å; C212-L265 HydrophobicContact CB-CG 4.49Å; E213-L265 HydrophobicContact CB-CD2 4.41Å; L241-L265 HydrophobicContact CD1-CD1 4.25Å; L241-L265 HydrophobicContact CD2-CD1 4.22Å; L262-L265 HydrophobicContact CD1-CD1 4.19Å; L262-L265 WeakPolarHBondContact O-CB 3.24Å; L262-L265 PolarHBondContact O-N 2.94Å; L262-L265 VanDerWaalsContact O-N 3.07Å; A263-L265 PolarHBondContact O-N 3.23Å; L265-L267 HydrophobicContact CB-CD1 4.05Å; L265-L267 HydrophobicContact CB-CG 4.16Å; L265-L267 HydrophobicContact CD1-CD1 4.28Å; L265-L267 PolarHBondContact O-N 3.41Å |
| 266 | P | 95.6 | Very high | 90.4 | Very high | 20 Ų | 20 | 73.6 Ų | 73.6 | 13% | 0.13 | 39% | 0.389 | C | S | . | . | trans | -77.8 | 63.3 | 179.6 | 34.6 | -39.3 | 0 | 0 | 0 | 112.1 | C212 Q218 N220 T221 | C212-P266 HydrophobicContact CB-CG 4.49Å; Q218-P266 HydrophobicContact CB-CG 4.01Å; N220-P266 HydrophobicContact CB-CB 4.32Å; N220-P266 WeakPolarHBondContact OD1-CB 3.49Å; N220-P266 WeakPolarHBondContact OD1-CG 3.28Å; T221-P266 PolarHBondContact N-O 3.25Å | ||
| 267 | L | 96.6 | Very high | 90 | Very high | 23 Ų | 23 | 73.8 Ų | 73.8 | 12% | 0.12 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.2 | 177.8 | -71.2 | 168.3 | 0 | 0 | 0 | 109.8 | L209 C212 M237 L262 L265 F269 | L209-L267 HydrophobicContact CD2-CD1 4.01Å; C212-L267 VanDerWaalsContact SG-CD2 3.55Å; M237-L267 HydrophobicContact SD-CD1 4.18Å; L262-L267 HydrophobicContact CD1-CD1 3.83Å; L265-L267 HydrophobicContact CB-CD1 4.05Å; L265-L267 HydrophobicContact CB-CG 4.16Å; L265-L267 HydrophobicContact CD1-CD1 4.28Å; L265-L267 PolarHBondContact O-N 3.41Å; L267-F269 HydrophobicContact CB-CE2 3.84Å; L267-F269 HydrophobicContact CB-CZ 4.11Å |
| 268 | H | 96.5 | Very high | 89.7 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 27% | 0.269 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142.6 | 175.8 | -59 | -95.6 | 0 | 0 | 0 | 109 | T221 L222 W223 I294 | T221-H268 PolarHBondContact O-N 3.19Å; L222-H268 CarbonylContact C-O 3.59Å; L222-H268 WeakPolarHBondContact CA-O 3.33Å; L222-H268 HydrophobicContact CD1-CB 3.72Å; W223-H268 PolarHBondContact N-O 2.94Å; H268-I294 HydrophobicContact CB-CD1 4.26Å; H268-I294 VanDerWaalsContact CD2-CD1 3.41Å; H268-I294 WeakPolarHBondContact CD2-CD1 3.31Å |
| 269 | F | 95.6 | Very high | 89.4 | Confident | 59 Ų | 59 | 79 Ų | 79 | 26% | 0.259 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 131.9 | 179.9 | -59.8 | -89.6 | 0 | 0 | 0 | 109.4 | W223 T230 L233 I234 M237 L267 | W223-F269 HydrophobicContact CB-CD1 3.52Å; W223-F269 HydrophobicContact CB-CE1 3.82Å; W223-F269 HydrophobicContact CB-CG 4.42Å; W223-F269 HydrophobicContact CG-CD1 4.2Å; W223-F269 AromaticContact CG-CE1 3.98Å; W223-F269 HydrophobicContact CG-CE1 3.98Å; W223-F269 WeakPolarHBondContact O-CA 3.42Å; T230-F269 HydrophobicContact CG2-CB 3.74Å; T230-F269 HydrophobicContact CG2-CD1 3.99Å; T230-F269 HydrophobicContact CG2-CG 3.86Å; L233-F269 HydrophobicContact CD2-CD1 4.03Å; L233-F269 HydrophobicContact CD2-CE1 3.72Å; L233-F269 HydrophobicContact CG-CE1 4.28Å; I234-F269 HydrophobicContact CD1-CE2 4.38Å; I234-F269 HydrophobicContact CG1-CE1 4.47Å; I234-F269 HydrophobicContact CG1-CE2 4.24Å; I234-F269 HydrophobicContact CG1-CZ 4.1Å; M237-F269 HydrophobicContact CE-CE1 4.12Å; M237-F269 HydrophobicContact CE-CZ 4.24Å; M237-F269 HydrophobicContact SD-CE1 4.09Å; M237-F269 HydrophobicContact SD-CZ 3.74Å; L267-F269 HydrophobicContact CB-CE2 3.84Å; L267-F269 HydrophobicContact CB-CZ 4.11Å |
| 270 | T | 91.9 | Very high | 89.2 | Confident | 14 Ų | 14 | 77.6 Ų | 77.6 | 9% | 0.086 | 40% | 0.4 | C | S | . | . | trans | -68.8 | 146.5 | 170.8 | 62 | 0 | 0 | 0 | 0 | 110.5 | L222 W223 C224 F272 | L222-T270 HydrophobicContact CD1-CG2 4.01Å; L222-T270 HydrophobicContact CG-CG2 4.43Å; W223-T270 PolarHBondContact O-N 3.01Å; W223-T270 PolarHBondContact O-OG1 2.92Å; C224-T270 WeakPolarHBondContact CA-OG1 3.27Å; C224-T270 HydrophobicContact CB-CG2 4.14Å; C224-T270 WeakPolarHBondContact SG-CG2 3.34Å; T270-F272 HydrophobicContact CG2-CD2 4.41Å; T270-F272 HydrophobicContact CG2-CE2 3.75Å; T270-F272 WeakPolarHBondContact OG1-CD2 3.4Å | ||
| 271 | R | 85.2 | Confident | 89 | Confident | 211 Ų | 211 | 73.2 Ų | 73.2 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | trans | -113.4 | 82.6 | 176.2 | -171.3 | -178.5 | -177.5 | 177.6 | 1.9 | 110.1 | ||||
| 272 | F | 81.1 | Confident | 89 | Confident | 54 Ų | 54 | 68.4 Ų | 68.4 | 24% | 0.237 | 36% | 0.359 | C | S | . | . | trans | -103.9 | 108.2 | 170.6 | -61.8 | -68.9 | 0 | 0 | 0 | 108.7 | F226 T270 F276 V281 A284 | F226-F272 HydrophobicContact CD1-CD2 4.37Å; F226-F272 HydrophobicContact CE1-CB 4.31Å; F226-F272 AromaticContact CE1-CD2 3.41Å; F226-F272 HydrophobicContact CE1-CD2 3.41Å; F226-F272 VanDerWaalsContact CE1-CD2 3.41Å; F226-F272 AromaticContact CE1-CE2 3.97Å; F226-F272 HydrophobicContact CE1-CE2 3.97Å; F226-F272 HydrophobicContact CE1-CG 4.04Å; F226-F272 AromaticContact CZ-CD2 3.94Å; F226-F272 HydrophobicContact CZ-CD2 3.94Å; F226-F272 HydrophobicContact CZ-CE2 4.08Å; T270-F272 HydrophobicContact CG2-CD2 4.41Å; T270-F272 HydrophobicContact CG2-CE2 3.75Å; T270-F272 WeakPolarHBondContact OG1-CD2 3.4Å; F272-F276 HydrophobicContact CB-CB 4.4Å; F272-F276 HydrophobicContact CB-CD1 3.81Å; F272-F276 HydrophobicContact CB-CE1 4.44Å; F272-F276 HydrophobicContact CB-CG 4.22Å; F272-F276 HydrophobicContact CD1-CB 3.87Å; F272-F276 HydrophobicContact CD1-CG 4.29Å; F272-F276 HydrophobicContact CG-CB 4.38Å; F272-F276 HydrophobicContact CG-CD1 4.41Å; F272-F276 HydrophobicContact CG-CG 4.35Å; F272-V281 HydrophobicContact CD1-CG2 4.42Å; F272-V281 HydrophobicContact CD2-CG2 4.36Å; F272-V281 HydrophobicContact CE1-CG2 4.04Å; F272-V281 HydrophobicContact CE2-CB 4.41Å; F272-V281 HydrophobicContact CE2-CG1 4.31Å; F272-V281 HydrophobicContact CE2-CG2 3.93Å; F272-V281 HydrophobicContact CZ-CB 4.18Å; F272-V281 HydrophobicContact CZ-CG1 4.49Å; F272-V281 HydrophobicContact CZ-CG2 3.8Å; F272-A284 HydrophobicContact CZ-CB 3.9Å | ||
| 273 | N | 69 | Low | 88.9 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 66% | 0.663 | 38% | 0.377 | S | S | * | . | trans | -105.7 | 121.7 | 176 | -71.3 | 5 | 0 | 0 | 0 | 108.6 | ||||
| 274 | G | 69.4 | Low | 88.9 | Confident | 70 Ų | 70 | 70.3 Ų | 70.3 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 80.6 | -138.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 275 | S | 74 | Confident | 89 | Confident | 126 Ų | 126 | 63.8 Ų | 63.8 | 88% | 0.881 | 33% | 0.327 | S | S | * | . | trans | -78.5 | 134 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 276 | F | 83.6 | Confident | 89 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 18% | 0.175 | 33% | 0.33 | C | S | . | . | trans | -133.6 | 151.1 | 174.1 | 53.6 | -94.1 | 0 | 0 | 0 | 108.7 | F226 F272 V281 L305 A308 | F226-F276 HydrophobicContact CB-CZ 4.44Å; F226-F276 HydrophobicContact CD1-CD1 4.39Å; F226-F276 AromaticContact CD1-CE1 3.55Å; F226-F276 HydrophobicContact CD1-CE1 3.55Å; F226-F276 AromaticContact CD1-CE2 3.91Å; F226-F276 HydrophobicContact CD1-CE2 3.91Å; F226-F276 AromaticContact CD1-CZ 3.26Å; F226-F276 HydrophobicContact CD1-CZ 3.26Å; F226-F276 HydrophobicContact CE1-CD2 4.38Å; F226-F276 HydrophobicContact CE1-CE1 4.09Å; F226-F276 AromaticContact CE1-CE2 3.89Å; F226-F276 HydrophobicContact CE1-CE2 3.89Å; F226-F276 AromaticContact CE1-CZ 3.72Å; F226-F276 HydrophobicContact CE1-CZ 3.72Å; F226-F276 HydrophobicContact CG-CZ 4.06Å; F272-F276 HydrophobicContact CB-CB 4.4Å; F272-F276 HydrophobicContact CB-CD1 3.81Å; F272-F276 HydrophobicContact CB-CE1 4.44Å; F272-F276 HydrophobicContact CB-CG 4.22Å; F272-F276 HydrophobicContact CD1-CB 3.87Å; F272-F276 HydrophobicContact CD1-CG 4.29Å; F272-F276 HydrophobicContact CG-CB 4.38Å; F272-F276 HydrophobicContact CG-CD1 4.41Å; F272-F276 HydrophobicContact CG-CG 4.35Å; F276-V281 HydrophobicContact CD2-CG2 3.44Å; F276-V281 VanDerWaalsContact CD2-CG2 3.44Å; F276-V281 HydrophobicContact CE2-CG2 3.88Å; F276-V281 HydrophobicContact CG-CG2 4.23Å; F276-L305 HydrophobicContact CE2-CD2 3.63Å; F276-L305 HydrophobicContact CZ-CD2 4.11Å; F276-A308 HydrophobicContact CD2-CB 4.02Å; F276-A308 HydrophobicContact CE2-CB 3.51Å; F276-A308 HydrophobicContact CZ-CB 4.12Å | ||
| 277 | E | 87.5 | Confident | 89 | Confident | 108 Ų | 108 | 68.6 Ų | 68.6 | 51% | 0.505 | 35% | 0.347 | S | S | . | . | trans | -85.3 | 140.5 | 171.3 | -67.5 | -63.1 | 148.6 | 0 | 0 | 109.7 | R279 D280 V281 | E277-R279 PolarHBondContact O-N 3.12Å; E277-D280 HydrophobicContact CB-CB 4.47Å; E277-D280 PolarHBondContact O-N 2.94Å; E277-V281 PolarHBondContact O-N 2.83Å | ||
| 278 | F | 90.1 | Very high | 88.9 | Confident | 18 Ų | 18 | 71 Ų | 71 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.9 | -35 | 177.3 | 175.6 | -117.9 | 0 | 0 | 0 | 112.2 | D280 V281 I282 V309 M322 V323 E326 F327 | F278-D280 VanDerWaalsContact C-N 3.34Å; F278-D280 PolarHBondContact O-N 2.78Å; F278-V281 WeakPolarHBondContact O-CB 3.45Å; F278-V281 PolarHBondContact O-N 2.81Å; F278-I282 HydrophobicContact CD2-CD1 4.47Å; F278-I282 HydrophobicContact CD2-CG1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 4.38Å; F278-I282 HydrophobicContact CE1-CG1 4.03Å; F278-I282 HydrophobicContact CE2-CD1 3.61Å; F278-I282 HydrophobicContact CE2-CG1 3.95Å; F278-I282 HydrophobicContact CZ-CD1 3.57Å; F278-I282 HydrophobicContact CZ-CG1 3.72Å; F278-I282 WeakPolarHBondContact O-CG1 2.9Å; F278-I282 PolarHBondContact O-N 2.77Å; F278-I282 VanDerWaalsContact O-N 3.09Å; F278-V309 HydrophobicContact CB-CG2 3.74Å; F278-V309 HydrophobicContact CD1-CG2 4.04Å; F278-V309 HydrophobicContact CG-CG2 3.89Å; F278-M322 HydrophobicContact CD1-CE 4.31Å; F278-M322 HydrophobicContact CD1-SD 4.35Å; F278-M322 HydrophobicContact CE1-CE 4.38Å; F278-M322 HydrophobicContact CE1-SD 3.87Å; F278-V323 HydrophobicContact CD1-CG2 4.36Å; F278-V323 HydrophobicContact CD2-CG1 4.38Å; F278-V323 HydrophobicContact CD2-CG2 4.31Å; F278-V323 HydrophobicContact CE1-CG2 4.08Å; F278-V323 HydrophobicContact CE2-CB 4.28Å; F278-V323 HydrophobicContact CE2-CG1 3.6Å; F278-V323 HydrophobicContact CE2-CG2 4.06Å; F278-V323 HydrophobicContact CG-CG2 4.46Å; F278-V323 HydrophobicContact CZ-CB 4.05Å; F278-V323 HydrophobicContact CZ-CG1 3.77Å; F278-V323 HydrophobicContact CZ-CG2 3.93Å; F278-E326 HydrophobicContact CE1-CB 4.15Å; F278-E326 HydrophobicContact CE1-CG 3.98Å; F278-E326 HydrophobicContact CZ-CB 3.89Å; F278-E326 HydrophobicContact CZ-CG 4.25Å; F278-F327 HydrophobicContact CE2-CE2 4.11Å; F278-F327 HydrophobicContact CE2-CZ 4.02Å |
| 279 | R | 90.6 | Very high | 88.9 | Confident | 183 Ų | 183 | 68.9 Ų | 68.9 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 176.8 | -172 | 179.5 | -177.7 | -170.1 | -2.4 | 112.7 | E277 V281 I282 Q283 | E277-R279 PolarHBondContact O-N 3.12Å; R279-V281 VanDerWaalsContact C-N 3.3Å; R279-I282 PolarHBondContact O-N 3.37Å; R279-Q283 WeakPolarHBondContact O-CG 3.31Å; R279-Q283 PolarHBondContact O-N 2.85Å |
| 280 | D | 92 | Very high | 88.8 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.9 | -35.6 | 178.5 | -63.2 | -19.5 | 0 | 0 | 0 | 110.7 | E277 F278 Q283 A284 | E277-D280 HydrophobicContact CB-CB 4.47Å; E277-D280 PolarHBondContact O-N 2.94Å; F278-D280 VanDerWaalsContact C-N 3.34Å; F278-D280 PolarHBondContact O-N 2.78Å; D280-Q283 PolarHBondContact O-N 2.86Å; D280-A284 VanDerWaalsContact O-CB 3.27Å; D280-A284 WeakPolarHBondContact O-CB 3.05Å; D280-A284 PolarHBondContact O-N 2.89Å |
| 281 | V | 92.8 | Very high | 89 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.9 | -49.4 | 172.3 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | F226 F272 F276 E277 F278 R279 A284 I285 L305 | F226-V281 HydrophobicContact CE1-CG1 4.38Å; F226-V281 HydrophobicContact CE1-CG2 3.9Å; F226-V281 HydrophobicContact CE2-CG1 4.43Å; F226-V281 HydrophobicContact CZ-CB 4.48Å; F226-V281 HydrophobicContact CZ-CG1 3.62Å; F226-V281 HydrophobicContact CZ-CG2 3.98Å; F272-V281 HydrophobicContact CD1-CG2 4.42Å; F272-V281 HydrophobicContact CD2-CG2 4.36Å; F272-V281 HydrophobicContact CE1-CG2 4.04Å; F272-V281 HydrophobicContact CE2-CB 4.41Å; F272-V281 HydrophobicContact CE2-CG1 4.31Å; F272-V281 HydrophobicContact CE2-CG2 3.93Å; F272-V281 HydrophobicContact CZ-CB 4.18Å; F272-V281 HydrophobicContact CZ-CG1 4.49Å; F272-V281 HydrophobicContact CZ-CG2 3.8Å; F276-V281 HydrophobicContact CD2-CG2 3.44Å; F276-V281 VanDerWaalsContact CD2-CG2 3.44Å; F276-V281 HydrophobicContact CE2-CG2 3.88Å; F276-V281 HydrophobicContact CG-CG2 4.23Å; E277-V281 PolarHBondContact O-N 2.83Å; F278-V281 WeakPolarHBondContact O-CB 3.45Å; F278-V281 PolarHBondContact O-N 2.81Å; R279-V281 VanDerWaalsContact C-N 3.3Å; V281-A284 PolarHBondContact O-N 3.45Å; V281-I285 HydrophobicContact CG1-CD1 3.79Å; V281-I285 VanDerWaalsContact O-CG1 3.28Å; V281-I285 WeakPolarHBondContact O-CG1 3.27Å; V281-I285 PolarHBondContact O-N 2.84Å; V281-L305 HydrophobicContact CG1-CD2 4.22Å; V281-L305 HydrophobicContact CG2-CD2 4.21Å |
| 282 | I | 95 | Very high | 89.4 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.062 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 179.1 | -64.2 | -42.4 | 0 | 0 | 0 | 111.4 | F278 R279 A284 I285 E286 F327 I330 | F278-I282 HydrophobicContact CD2-CD1 4.47Å; F278-I282 HydrophobicContact CD2-CG1 4.48Å; F278-I282 HydrophobicContact CE1-CD1 4.38Å; F278-I282 HydrophobicContact CE1-CG1 4.03Å; F278-I282 HydrophobicContact CE2-CD1 3.61Å; F278-I282 HydrophobicContact CE2-CG1 3.95Å; F278-I282 HydrophobicContact CZ-CD1 3.57Å; F278-I282 HydrophobicContact CZ-CG1 3.72Å; F278-I282 WeakPolarHBondContact O-CG1 2.9Å; F278-I282 PolarHBondContact O-N 2.77Å; F278-I282 VanDerWaalsContact O-N 3.09Å; R279-I282 PolarHBondContact O-N 3.37Å; I282-A284 PolarHBondContact O-N 3Å; I282-I285 PolarHBondContact O-N 3.29Å; I282-E286 HydrophobicContact CG2-CG 4.36Å; I282-E286 WeakPolarHBondContact O-CG 2.84Å; I282-E286 PolarHBondContact O-N 3.35Å; I282-F327 HydrophobicContact CD1-CD1 4.24Å; I282-F327 HydrophobicContact CD1-CE1 3.67Å; I282-F327 HydrophobicContact CD1-CZ 4.06Å; I282-I330 HydrophobicContact CB-CD1 4.46Å; I282-I330 HydrophobicContact CD1-CD1 3.61Å; I282-I330 HydrophobicContact CG1-CD1 4.37Å; I282-I330 HydrophobicContact CG2-CD1 3.76Å |
| 283 | Q | 94.7 | Very high | 90.1 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 44% | 0.435 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.9 | -73.2 | 178.3 | 7.2 | 0 | 0 | 112.2 | R279 D280 I285 E286 H287 | R279-Q283 WeakPolarHBondContact O-CG 3.31Å; R279-Q283 PolarHBondContact O-N 2.85Å; D280-Q283 PolarHBondContact O-N 2.86Å; Q283-I285 VanDerWaalsContact C-N 3.34Å; Q283-I285 PolarHBondContact O-N 2.84Å; Q283-E286 PolarHBondContact O-N 2.77Å; Q283-H287 WeakPolarHBondContact O-CB 3.42Å; Q283-H287 PolarHBondContact O-N 3.16Å |
| 284 | A | 94.2 | Very high | 91.4 | Very high | 27 Ų | 27 | 64.8 Ų | 64.8 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F272 D280 V281 I282 H288 | F272-A284 HydrophobicContact CZ-CB 3.9Å; D280-A284 VanDerWaalsContact O-CB 3.27Å; D280-A284 WeakPolarHBondContact O-CB 3.05Å; D280-A284 PolarHBondContact O-N 2.89Å; V281-A284 PolarHBondContact O-N 3.45Å; I282-A284 PolarHBondContact O-N 3Å; A284-H288 PolarHBondContact O-N 3.04Å; A284-H288 VanDerWaalsContact O-N 3.11Å; A284-H288 PolarHBondContact O-ND1 3.04Å |
| 285 | I | 96.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -53.3 | 176.5 | -69.3 | 168.1 | 0 | 0 | 0 | 110.3 | L222 V281 I282 Q283 H287 H288 I289 V297 F327 I330 | L222-I285 HydrophobicContact CD2-CB 4.49Å; L222-I285 HydrophobicContact CD2-CG1 4.21Å; L222-I285 HydrophobicContact CD2-CG2 4.46Å; V281-I285 HydrophobicContact CG1-CD1 3.79Å; V281-I285 VanDerWaalsContact O-CG1 3.28Å; V281-I285 WeakPolarHBondContact O-CG1 3.27Å; V281-I285 PolarHBondContact O-N 2.84Å; I282-I285 PolarHBondContact O-N 3.29Å; Q283-I285 VanDerWaalsContact C-N 3.34Å; Q283-I285 PolarHBondContact O-N 2.84Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 2.89Å; I285-H288 PolarHBondContact O-N 3.39Å; I285-I289 HydrophobicContact CG2-CD1 3.64Å; I285-I289 HydrophobicContact CG2-CG1 4.32Å; I285-I289 VanDerWaalsContact O-CG1 3.25Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 3.47Å; I285-V297 HydrophobicContact CG2-CG1 4.26Å; I285-V297 HydrophobicContact CG2-CG2 4.41Å; I285-F327 HydrophobicContact CD1-CE1 3.85Å; I285-I330 HydrophobicContact CG2-CG2 4.33Å |
| 286 | E | 96.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 59.4 Ų | 59.4 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -41.7 | -178.7 | -72 | -179.1 | 155.2 | 0 | 0 | 111.9 | I282 Q283 I289 E290 R329 I330 | I282-E286 HydrophobicContact CG2-CG 4.36Å; I282-E286 WeakPolarHBondContact O-CG 2.84Å; I282-E286 PolarHBondContact O-N 3.35Å; Q283-E286 PolarHBondContact O-N 2.77Å; E286-I289 PolarHBondContact O-N 2.75Å; E286-E290 PolarHBondContact O-N 3.26Å; E286-R329 IonicContact OE1-CZ 2.75Å; E286-R329 IonicContact OE1-NH1 3.37Å; E286-R329 PolarHBondContact OE1-NH1 3.32Å; E286-R329 IonicContact OE1-NH2 2.68Å; E286-R329 PolarHBondContact OE1-NH2 3.4Å; E286-I330 HydrophobicContact CG-CG1 4.28Å |
| 287 | H | 95.7 | Very high | 94.4 | Very high | 103 Ų | 103 | 57.5 Ų | 57.5 | 48% | 0.477 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 177.1 | -178.5 | 75.8 | 0 | 0 | 0 | 112.8 | Q283 I285 E290 I291 | Q283-H287 WeakPolarHBondContact O-CB 3.42Å; Q283-H287 PolarHBondContact O-N 3.16Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 2.89Å; H287-E290 PolarHBondContact O-N 3.05Å; H287-I291 WeakPolarHBondContact CE1-CD1 3.34Å; H287-I291 VanDerWaalsContact NE2-CD1 3.27Å; H287-I291 WeakPolarHBondContact NE2-CD1 3.44Å; H287-I291 PolarHBondContact O-N 3.49Å; H287-I291 VanDerWaalsContact O-N 3.12Å |
| 288 | H | 94.9 | Very high | 94.9 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 34% | 0.343 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.7 | -30.9 | -179.4 | -75.9 | 79.5 | 0 | 0 | 0 | 112.5 | L222 A284 I285 E290 I291 C292 I294 | L222-H288 HydrophobicContact CD2-CB 4.22Å; A284-H288 PolarHBondContact O-N 3.04Å; A284-H288 VanDerWaalsContact O-N 3.11Å; A284-H288 PolarHBondContact O-ND1 3.04Å; I285-H288 PolarHBondContact O-N 3.39Å; H288-E290 PolarHBondContact O-N 2.98Å; H288-I291 PolarHBondContact O-N 3.29Å; H288-C292 WeakPolarHBondContact O-CB 3.04Å; H288-C292 PolarHBondContact O-N 3.16Å; H288-I294 WeakPolarHBondContact O-CG1 3.28Å |
| 289 | I | 96.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.062 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.6 | -44.6 | 171.7 | -70.3 | 164.3 | 0 | 0 | 0 | 110.6 | I285 E286 D293 I294 V297 I330 K334 V336 | I285-I289 HydrophobicContact CG2-CD1 3.64Å; I285-I289 HydrophobicContact CG2-CG1 4.32Å; I285-I289 VanDerWaalsContact O-CG1 3.25Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 3.47Å; E286-I289 PolarHBondContact O-N 2.75Å; I289-D293 WeakPolarHBondContact O-CA 3.35Å; I289-D293 PolarHBondContact O-N 3.27Å; I289-I294 HydrophobicContact CB-CB 4.47Å; I289-I294 HydrophobicContact CG1-CB 4.09Å; I289-I294 HydrophobicContact CG1-CG2 4.47Å; I289-I294 PolarHBondContact O-N 2.92Å; I289-V297 HydrophobicContact CD1-CG2 4.1Å; I289-V297 HydrophobicContact CG1-CG2 4.17Å; I289-I330 HydrophobicContact CD1-CG2 3.93Å; I289-K334 HydrophobicContact CD1-CB 4.22Å; I289-K334 HydrophobicContact CD1-CG 4.27Å; I289-K334 HydrophobicContact CG2-CB 4.05Å; I289-V336 HydrophobicContact CD1-CG1 4.13Å; I289-V336 HydrophobicContact CD1-CG2 4.03Å; I289-V336 HydrophobicContact CG1-CG1 4.17Å; I289-V336 HydrophobicContact CG2-CG1 3.61Å |
| 290 | E | 94.1 | Very high | 95.3 | Very high | 128 Ų | 128 | 42.8 Ų | 42.8 | 60% | 0.598 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -73.1 | -43.6 | -178.2 | -68.5 | 176.4 | -175.2 | 0 | 0 | 113 | E286 H287 H288 K334 | E286-E290 PolarHBondContact O-N 3.26Å; H287-E290 PolarHBondContact O-N 3.05Å; H288-E290 PolarHBondContact O-N 2.98Å; E290-K334 IonicContact OE1-NZ 2.92Å; E290-K334 PolarHBondContact OE1-NZ 3.23Å |
| 291 | I | 95.7 | Very high | 95.1 | Very high | 115 Ų | 115 | 39.1 Ų | 39.1 | 59% | 0.59 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -80.4 | -39.9 | -173.3 | -67.8 | -179.4 | 0 | 0 | 0 | 112.7 | H287 H288 | H287-I291 WeakPolarHBondContact CE1-CD1 3.34Å; H287-I291 VanDerWaalsContact NE2-CD1 3.27Å; H287-I291 WeakPolarHBondContact NE2-CD1 3.44Å; H287-I291 PolarHBondContact O-N 3.49Å; H287-I291 VanDerWaalsContact O-N 3.12Å; H288-I291 PolarHBondContact O-N 3.29Å |
| 292 | C | 94.1 | Very high | 94.9 | Very high | 33 Ų | 33 | 39.3 Ų | 39.3 | 22% | 0.223 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 7 | -175.6 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | N220 H288 I294 | N220-C292 PolarHBondContact ND2-O 3.35Å; H288-C292 WeakPolarHBondContact O-CB 3.04Å; H288-C292 PolarHBondContact O-N 3.16Å; C292-I294 HydrophobicContact CB-CD1 3.82Å; C292-I294 HydrophobicContact CB-CG1 4.04Å; C292-I294 PolarHBondContact O-N 3.12Å |
| 293 | D | 94 | Very high | 94.4 | Very high | 99 Ų | 99 | 40.3 Ų | 40.3 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 47.7 | -173.7 | -171.4 | 32.8 | 0 | 0 | 0 | 111.9 | N220 I289 R295 | N220-D293 WeakPolarHBondContact CB-O 3.28Å; I289-D293 WeakPolarHBondContact O-CA 3.35Å; I289-D293 PolarHBondContact O-N 3.27Å; D293-R295 PolarHBondContact O-N 3.36Å |
| 294 | I | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | trans | -65.9 | 126.7 | 179.9 | -56.9 | -63.7 | 0 | 0 | 0 | 108.7 | N220 L222 H268 H288 I289 C292 H296 V297 V336 | N220-I294 HydrophobicContact CB-CD1 4.15Å; L222-I294 HydrophobicContact CB-CD1 4.09Å; L222-I294 HydrophobicContact CB-CG1 4.12Å; L222-I294 HydrophobicContact CB-CG2 3.71Å; H268-I294 HydrophobicContact CB-CD1 4.26Å; H268-I294 VanDerWaalsContact CD2-CD1 3.41Å; H268-I294 WeakPolarHBondContact CD2-CD1 3.31Å; H288-I294 WeakPolarHBondContact O-CG1 3.28Å; I289-I294 HydrophobicContact CB-CB 4.47Å; I289-I294 HydrophobicContact CG1-CB 4.09Å; I289-I294 HydrophobicContact CG1-CG2 4.47Å; I289-I294 PolarHBondContact O-N 2.92Å; C292-I294 HydrophobicContact CB-CD1 3.82Å; C292-I294 HydrophobicContact CB-CG1 4.04Å; C292-I294 PolarHBondContact O-N 3.12Å; I294-H296 WeakPolarHBondContact CG2-O 3.19Å; I294-V297 HydrophobicContact CG2-CG2 3.85Å; I294-V336 WeakPolarHBondContact O-CG1 3.39Å | ||
| 295 | R | 95.1 | Very high | 93.5 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 32% | 0.317 | 19% | 0.188 | S | C | . | . | trans | -106.1 | -21 | 178.6 | -56.3 | -62.2 | -65.9 | -177.3 | -1.4 | 112.5 | F168 V219 N220 D293 H337 | F168-R295 HydrophobicContact CE2-CB 3.63Å; F168-R295 HydrophobicContact CE2-CG 4.48Å; F168-R295 HydrophobicContact CZ-CB 3.77Å; V219-R295 HydrophobicContact CG1-CB 4.27Å; N220-R295 PolarHBondContact O-N 3.49Å; D293-R295 PolarHBondContact O-N 3.36Å; R295-H337 PolarHBondContact O-N 3.23Å | ||
| 296 | H | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.1 | 177.8 | -179.1 | -139.7 | 0 | 0 | 0 | 111.1 | L184 Y207 V219 N220 T221 L222 I294 V298 H337 T339 | L184-H296 HydrophobicContact CD1-CB 4.13Å; Y207-H296 AromaticContact CE1-CE1 3.64Å; V219-H296 HydrophobicContact CG1-CB 3.69Å; N220-H296 PolarHBondContact O-N 3.36Å; T221-H296 CarbonylContact C-O 3.42Å; T221-H296 VanDerWaalsContact CA-O 3.28Å; T221-H296 WeakPolarHBondContact CA-O 3.27Å; T221-H296 HydrophobicContact CG2-CB 4.27Å; T221-H296 WeakPolarHBondContact CG2-ND1 3.42Å; L222-H296 PolarHBondContact N-O 2.92Å; I294-H296 WeakPolarHBondContact CG2-O 3.19Å; H296-V298 WeakPolarHBondContact CE1-CG2 3.49Å; H296-H337 CarbonylContact C-O 3.58Å; H296-H337 WeakPolarHBondContact CA-O 3.11Å; H296-H337 AromaticContact CD2-CD2 3.86Å; H296-H337 PolarHBondContact CD2-O 2.93Å; H296-T339 PolarHBondContact NE2-OG1 2.81Å |
| 297 | V | 98.1 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.2 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | L222 I285 I289 I294 V299 V336 H337 L338 T339 | L222-V297 CarbonylContact O-C 3.27Å; L222-V297 WeakPolarHBondContact O-CA 3.23Å; I285-V297 HydrophobicContact CG2-CG1 4.26Å; I285-V297 HydrophobicContact CG2-CG2 4.41Å; I289-V297 HydrophobicContact CD1-CG2 4.1Å; I289-V297 HydrophobicContact CG1-CG2 4.17Å; I294-V297 HydrophobicContact CG2-CG2 3.85Å; V297-V299 HydrophobicContact CG1-CG2 4.1Å; V297-V336 HydrophobicContact CG2-CG2 4.2Å; V297-H337 PolarHBondContact N-O 3.24Å; V297-L338 HydrophobicContact CB-CG 4.37Å; V297-L338 HydrophobicContact CG1-CD1 4.49Å; V297-L338 CarbonylContact O-C 3.44Å; V297-L338 WeakPolarHBondContact O-CA 3.45Å; V297-T339 PolarHBondContact O-N 2.85Å |
| 298 | V | 97.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 126.8 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | I204 T221 L222 W223 C224 H296 T339 | I204-V298 HydrophobicContact CG2-CB 4.49Å; I204-V298 HydrophobicContact CG2-CG1 3.66Å; I204-V298 HydrophobicContact CG2-CG2 3.95Å; T221-V298 HydrophobicContact CG2-CG2 4.31Å; L222-V298 PolarHBondContact O-N 3.27Å; W223-V298 HydrophobicContact CD2-CB 3.93Å; W223-V298 HydrophobicContact CD2-CG1 3.93Å; W223-V298 HydrophobicContact CD2-CG2 4.38Å; W223-V298 HydrophobicContact CE3-CB 4.21Å; W223-V298 HydrophobicContact CE3-CG1 3.73Å; W223-V298 HydrophobicContact CG-CB 4.27Å; W223-V298 HydrophobicContact CH2-CG1 3.88Å; W223-V298 HydrophobicContact CZ2-CB 4.4Å; W223-V298 HydrophobicContact CZ2-CG1 4.01Å; W223-V298 HydrophobicContact CZ2-CG2 4.21Å; W223-V298 HydrophobicContact CZ3-CG1 3.72Å; C224-V298 WeakPolarHBondContact CA-O 3.32Å; C224-V298 WeakPolarHBondContact CB-O 3.04Å; C224-V298 PolarHBondContact N-O 3.28Å; H296-V298 WeakPolarHBondContact CE1-CG2 3.49Å; V298-T339 CarbonylContact C-O 3.59Å; V298-T339 WeakPolarHBondContact CA-O 3.4Å |
| 299 | V | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.8 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | C224 F226 V297 L305 F327 L338 T339 L340 V341 | C224-V299 HydrophobicContact CB-CG2 4.24Å; F226-V299 HydrophobicContact CE2-CG1 4.23Å; V297-V299 HydrophobicContact CG1-CG2 4.1Å; V299-L305 HydrophobicContact CG1-CD1 3.38Å; V299-F327 HydrophobicContact CG1-CE2 4.05Å; V299-F327 HydrophobicContact CG1-CZ 3.93Å; V299-F327 HydrophobicContact CG2-CD1 4.35Å; V299-F327 HydrophobicContact CG2-CE1 3.93Å; V299-F327 HydrophobicContact CG2-CZ 4.1Å; V299-L338 HydrophobicContact CG2-CD2 4.48Å; V299-T339 PolarHBondContact N-O 3.38Å; V299-L340 HydrophobicContact CB-CD1 3.69Å; V299-L340 HydrophobicContact CG1-CD1 3.58Å; V299-V341 PolarHBondContact O-N 2.82Å |
| 300 | D | 93.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 97.1 | -176.2 | -166.1 | 8.3 | 0 | 0 | 0 | 111.7 | T201 C224 S225 F226 E227 V341 | T201-D300 WeakPolarHBondContact CB-OD2 3.48Å; T201-D300 WeakPolarHBondContact CG2-OD2 3.42Å; T201-D300 PolarHBondContact OG1-OD2 2.8Å; C224-D300 PolarHBondContact O-N 3.5Å; S225-D300 CarbonylContact C-O 3.55Å; F226-D300 PolarHBondContact N-O 2.64Å; E227-D300 PolarHBondContact N-O 2.76Å; D300-V341 HydrophobicContact CB-CB 4.37Å; D300-V341 HydrophobicContact CB-CG2 3.96Å; D300-V341 WeakPolarHBondContact OD1-CB 3.45Å; D300-V341 WeakPolarHBondContact OD1-CG1 3.38Å; D300-V341 WeakPolarHBondContact OD1-CG2 3.41Å |
| 301 | N | 88.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | cis | -132.5 | 169.7 | 6.4 | 75.4 | 30.7 | 0 | 0 | 0 | 112.3 | E227 Q303 F304 L305 V341 H343 | E227-N301 PolarHBondContact OE2-ND2 2.88Å; N301-Q303 VanDerWaalsContact C-N 3.31Å; N301-Q303 PolarHBondContact O-N 2.86Å; N301-Q303 WeakPolarHBondContact OD1-CA 3.36Å; N301-Q303 VanDerWaalsContact OD1-CB 3.32Å; N301-Q303 WeakPolarHBondContact OD1-CB 3.47Å; N301-Q303 PolarHBondContact OD1-N 3.29Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.49Å; N301-F304 PolarHBondContact O-N 2.89Å; N301-F304 WeakPolarHBondContact OD1-CD2 3.47Å; N301-F304 PolarHBondContact OD1-N 3.26Å; N301-L305 PolarHBondContact O-N 3.09Å; N301-V341 HydrophobicContact CB-CB 3.93Å; N301-V341 HydrophobicContact CB-CG1 3.94Å; N301-H343 PolarHBondContact ND2-CD2 3.19Å; N301-H343 PolarHBondContact ND2-NE2 3.39Å; N301-H343 VanDerWaalsContact ND2-NE2 3.11Å | ||
| 302 | L | 88.2 | Confident | 85.3 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.1 | -38.5 | 177.5 | -177.7 | 66.2 | 0 | 0 | 0 | 113 | L305 A306 V323 L340 V341 V342 | L302-L305 PolarHBondContact O-N 3.31Å; L302-A306 WeakPolarHBondContact O-CB 3.11Å; L302-A306 PolarHBondContact O-N 2.75Å; L302-V323 HydrophobicContact CD1-CB 4.02Å; L302-V323 HydrophobicContact CD1-CG1 3.42Å; L302-V323 VanDerWaalsContact CD1-CG1 3.42Å; L302-L340 HydrophobicContact CB-CD1 4.02Å; L302-L340 HydrophobicContact CB-CD2 4.44Å; L302-L340 HydrophobicContact CB-CG 4.3Å; L302-L340 HydrophobicContact CD1-CD1 4.3Å; L302-L340 HydrophobicContact CD1-CD2 4.1Å; L302-L340 HydrophobicContact CD2-CD2 4.33Å; L302-V341 WeakPolarHBondContact CB-O 3.35Å; L302-V341 PolarHBondContact N-O 3.2Å; L302-V342 HydrophobicContact CB-CG2 4.06Å; L302-V342 HydrophobicContact CD2-CG1 4.14Å; L302-V342 HydrophobicContact CD2-CG2 3.86Å |
| 303 | Q | 84.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 49.5 Ų | 49.5 | 16% | 0.159 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -38.9 | -177.1 | -72.5 | 77.3 | 8.1 | 0 | 0 | 112.9 | N301 G307 H343 | N301-Q303 VanDerWaalsContact C-N 3.31Å; N301-Q303 PolarHBondContact O-N 2.86Å; N301-Q303 WeakPolarHBondContact OD1-CA 3.36Å; N301-Q303 VanDerWaalsContact OD1-CB 3.32Å; N301-Q303 WeakPolarHBondContact OD1-CB 3.47Å; N301-Q303 PolarHBondContact OD1-N 3.29Å; Q303-G307 PolarHBondContact O-N 2.78Å; Q303-H343 PolarHBondContact NE2-O 2.99Å; Q303-H343 PolarHBondContact OE1-CD2 2.57Å |
| 304 | F | 84.7 | Confident | 82.2 | Confident | 100 Ų | 100 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.5 | -82.3 | -82.6 | 0 | 0 | 0 | 111.1 | F226 E227 N301 G307 A308 | F226-F304 HydrophobicContact CB-CB 3.79Å; F226-F304 HydrophobicContact CB-CG 4.38Å; E227-F304 HydrophobicContact CB-CD2 3.65Å; E227-F304 HydrophobicContact CB-CE2 3.39Å; E227-F304 HydrophobicContact CB-CZ 4.16Å; E227-F304 HydrophobicContact CG-CD2 4.17Å; E227-F304 HydrophobicContact CG-CE2 3.39Å; E227-F304 HydrophobicContact CG-CZ 3.97Å; N301-F304 WeakPolarHBondContact ND2-CD2 3.49Å; N301-F304 PolarHBondContact O-N 2.89Å; N301-F304 WeakPolarHBondContact OD1-CD2 3.47Å; N301-F304 PolarHBondContact OD1-N 3.26Å; F304-G307 PolarHBondContact O-N 2.88Å; F304-A308 PolarHBondContact O-N 3.25Å |
| 305 | L | 85.4 | Confident | 81.3 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | 178.2 | -72.8 | 179 | 0 | 0 | 0 | 113.2 | F226 F276 V281 V299 N301 L302 G307 A308 V309 V323 F327 | F226-L305 HydrophobicContact CD1-CD2 4.02Å; F226-L305 HydrophobicContact CD2-CD1 4.1Å; F226-L305 HydrophobicContact CD2-CD2 3.69Å; F226-L305 HydrophobicContact CD2-CG 3.72Å; F226-L305 HydrophobicContact CE1-CD2 3.75Å; F226-L305 HydrophobicContact CE2-CD1 3.76Å; F226-L305 HydrophobicContact CE2-CD2 3.44Å; F226-L305 VanDerWaalsContact CE2-CD2 3.44Å; F226-L305 HydrophobicContact CE2-CG 3.74Å; F226-L305 HydrophobicContact CG-CD2 3.99Å; F226-L305 HydrophobicContact CG-CG 4.3Å; F226-L305 HydrophobicContact CZ-CD1 4.47Å; F226-L305 HydrophobicContact CZ-CD2 3.49Å; F226-L305 VanDerWaalsContact CZ-CD2 3.49Å; F226-L305 HydrophobicContact CZ-CG 4.3Å; F276-L305 HydrophobicContact CE2-CD2 3.63Å; F276-L305 HydrophobicContact CZ-CD2 4.11Å; V281-L305 HydrophobicContact CG1-CD2 4.22Å; V281-L305 HydrophobicContact CG2-CD2 4.21Å; V299-L305 HydrophobicContact CG1-CD1 3.38Å; N301-L305 PolarHBondContact O-N 3.09Å; L302-L305 PolarHBondContact O-N 3.31Å; L305-G307 PolarHBondContact O-N 3.49Å; L305-A308 WeakPolarHBondContact O-CB 3.44Å; L305-A308 PolarHBondContact O-N 3Å; L305-V309 PolarHBondContact O-N 3.22Å; L305-V323 HydrophobicContact CB-CG1 4.15Å; L305-F327 HydrophobicContact CD1-CE2 3.43Å; L305-F327 VanDerWaalsContact CD1-CE2 3.43Å; L305-F327 HydrophobicContact CD1-CZ 3.39Å |
| 306 | A | 81.4 | Confident | 80.4 | Confident | 13 Ų | 13 | 61.8 Ų | 61.8 | 11% | 0.107 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -29.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L302 A308 V319 Q320 | L302-A306 WeakPolarHBondContact O-CB 3.11Å; L302-A306 PolarHBondContact O-N 2.75Å; A306-A308 VanDerWaalsContact C-N 3.3Å; A306-V319 HydrophobicContact CB-CG1 4.07Å; A306-V319 VanDerWaalsContact O-CG1 3.29Å; A306-V319 WeakPolarHBondContact O-CG1 3.28Å; A306-Q320 HydrophobicContact CB-CG 3.57Å |
| 307 | G | 79 | Confident | 79.4 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.4 | -20.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q303 F304 L305 | Q303-G307 PolarHBondContact O-N 2.78Å; F304-G307 PolarHBondContact O-N 2.88Å; L305-G307 PolarHBondContact O-N 3.49Å |
| 308 | A | 77.6 | Confident | 78.6 | Confident | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -84.4 | -10.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F276 F304 L305 A306 | F276-A308 HydrophobicContact CD2-CB 4.02Å; F276-A308 HydrophobicContact CE2-CB 3.51Å; F276-A308 HydrophobicContact CZ-CB 4.12Å; F304-A308 PolarHBondContact O-N 3.25Å; L305-A308 WeakPolarHBondContact O-CB 3.44Å; L305-A308 PolarHBondContact O-N 3Å; A306-A308 VanDerWaalsContact C-N 3.3Å |
| 309 | V | 77.9 | Confident | 78 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 13% | 0.133 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -83.8 | 129.8 | 172 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | F278 L305 L313 V319 M322 V323 | F278-V309 HydrophobicContact CB-CG2 3.74Å; F278-V309 HydrophobicContact CD1-CG2 4.04Å; F278-V309 HydrophobicContact CG-CG2 3.89Å; L305-V309 PolarHBondContact O-N 3.22Å; V309-L313 HydrophobicContact CG1-CD1 4.17Å; V309-V319 HydrophobicContact CB-CG1 3.59Å; V309-V319 HydrophobicContact CG1-CG1 3.93Å; V309-V319 HydrophobicContact CG2-CG1 3.98Å; V309-M322 HydrophobicContact CB-CE 4.28Å; V309-M322 HydrophobicContact CG1-CE 3.54Å; V309-M322 HydrophobicContact CG2-CE 3.77Å; V309-V323 HydrophobicContact CG2-CG2 3.7Å |
| 310 | E | 64.2 | Low | 77.5 | Confident | 135 Ų | 135 | 69.3 Ų | 69.3 | 63% | 0.631 | 36% | 0.361 | S | S | * | . | trans | -29.5 | 129.4 | -173.5 | -69.1 | -176.3 | 163.8 | 0 | 0 | 116.2 | H312 L313 | E310-H312 PolarHBondContact O-N 2.78Å; E310-L313 PolarHBondContact O-N 2.67Å | ||
| 311 | Q | 60.1 | Low | 77.1 | Confident | 189 Ų | 189 | 71 Ų | 71 | 88% | 0.883 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -8.2 | -177.9 | -63.6 | -179 | -6 | 0 | 0 | 114.8 | L313 | Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 3.39Å |
| 312 | H | 56.6 | Low | 77 | Confident | 173 Ų | 173 | 74.3 Ų | 74.3 | 80% | 0.801 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.3 | -178.4 | -66.6 | -36 | 0 | 0 | 0 | 113.8 | E310 T314 | E310-H312 PolarHBondContact O-N 2.78Å; H312-T314 PolarHBondContact O-N 2.79Å |
| 313 | L | 59.4 | Low | 77.1 | Confident | 100 Ų | 100 | 74.1 Ų | 74.1 | 52% | 0.524 | 39% | 0.386 | S | S | . | . | trans | -80.6 | 116.5 | 174.1 | -68.7 | 166.4 | 0 | 0 | 0 | 110.3 | V309 E310 Q311 D315 V319 | V309-L313 HydrophobicContact CG1-CD1 4.17Å; E310-L313 PolarHBondContact O-N 2.67Å; Q311-L313 VanDerWaalsContact C-N 3.27Å; Q311-L313 PolarHBondContact O-N 3.39Å; L313-D315 VanDerWaalsContact C-N 3.26Å; L313-D315 PolarHBondContact O-N 2.81Å; L313-V319 HydrophobicContact CB-CG2 3.76Å; L313-V319 HydrophobicContact CD1-CG2 3.77Å; L313-V319 HydrophobicContact CG-CG2 4.42Å | ||
| 314 | T | 64.7 | Low | 77.5 | Confident | 153 Ų | 153 | 72.6 Ų | 72.6 | 94% | 0.939 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -66.8 | -19.1 | -175.2 | 35.9 | 0 | 0 | 0 | 0 | 114.9 | H312 | H312-T314 PolarHBondContact O-N 2.79Š|
| 315 | D | 77.6 | Confident | 77.8 | Confident | 79 Ų | 79 | 69.9 Ų | 69.9 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | trans | -114.6 | 101.5 | -177 | -167.4 | -4.9 | 0 | 0 | 0 | 112.2 | L313 F317 A318 V319 | L313-D315 VanDerWaalsContact C-N 3.26Å; L313-D315 PolarHBondContact O-N 2.81Å; D315-F317 PolarHBondContact O-N 2.89Å; D315-F317 VanDerWaalsContact O-N 3.13Å; D315-F317 WeakPolarHBondContact OD1-CB 3.17Å; D315-F317 WeakPolarHBondContact OD1-CD2 3.08Å; D315-F317 PolarHBondContact OD1-N 2.92Å; D315-A318 HydrophobicContact CB-CB 3.92Å; D315-A318 PolarHBondContact O-N 3.24Å; D315-A318 VanDerWaalsContact O-N 3.14Å; D315-V319 PolarHBondContact O-N 2.79Å | ||
| 316 | R | 76.4 | Confident | 78.1 | Confident | 211 Ų | 211 | 72.6 Ų | 72.6 | 80% | 0.796 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -54.5 | -29.4 | 175.1 | -68.5 | -178.1 | 176.9 | 178.7 | -1.4 | 112.7 | Q320 | R316-Q320 WeakPolarHBondContact O-CG 3.28Å; R316-Q320 PolarHBondContact O-N 2.89Å |
| 317 | F | 76.1 | Confident | 78.8 | Confident | 80 Ų | 80 | 72 Ų | 72 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -75.6 | -42.2 | 179.6 | -60.3 | -59.1 | 0 | 0 | 0 | 111.5 | D315 V319 Q320 D321 Y359 | D315-F317 PolarHBondContact O-N 2.89Å; D315-F317 VanDerWaalsContact O-N 3.13Å; D315-F317 WeakPolarHBondContact OD1-CB 3.17Å; D315-F317 WeakPolarHBondContact OD1-CD2 3.08Å; D315-F317 PolarHBondContact OD1-N 2.92Å; F317-V319 PolarHBondContact O-N 3.35Å; F317-Q320 PolarHBondContact O-N 2.9Å; F317-Q320 VanDerWaalsContact O-N 3.15Å; F317-D321 PolarHBondContact O-N 2.96Å; F317-Y359 HydrophobicContact CE1-CD1 4.28Å; F317-Y359 HydrophobicContact CE1-CE1 4.47Å |
| 318 | A | 81.8 | Confident | 79.5 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 43% | 0.43 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D315 D321 M322 | D315-A318 HydrophobicContact CB-CB 3.92Å; D315-A318 PolarHBondContact O-N 3.24Å; D315-A318 VanDerWaalsContact O-N 3.14Å; A318-D321 PolarHBondContact O-N 3.42Å; A318-M322 WeakPolarHBondContact O-CB 3.42Å; A318-M322 PolarHBondContact O-N 2.87Å |
| 319 | V | 85 | Confident | 80.4 | Confident | 10 Ų | 10 | 73.6 Ų | 73.6 | 6% | 0.061 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65 | -45.9 | 174.9 | 176 | 0 | 0 | 0 | 0 | 111.7 | A306 V309 L313 D315 F317 D321 M322 V323 | A306-V319 HydrophobicContact CB-CG1 4.07Å; A306-V319 VanDerWaalsContact O-CG1 3.29Å; A306-V319 WeakPolarHBondContact O-CG1 3.28Å; V309-V319 HydrophobicContact CB-CG1 3.59Å; V309-V319 HydrophobicContact CG1-CG1 3.93Å; V309-V319 HydrophobicContact CG2-CG1 3.98Å; L313-V319 HydrophobicContact CB-CG2 3.76Å; L313-V319 HydrophobicContact CD1-CG2 3.77Å; L313-V319 HydrophobicContact CG-CG2 4.42Å; D315-V319 PolarHBondContact O-N 2.79Å; F317-V319 PolarHBondContact O-N 3.35Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 3.2Å; V319-M322 PolarHBondContact O-N 2.82Å; V319-V323 WeakPolarHBondContact O-CG2 2.91Å; V319-V323 PolarHBondContact O-N 2.94Å |
| 320 | Q | 84.6 | Confident | 81.3 | Confident | 15 Ų | 15 | 72.5 Ų | 72.5 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.6 | -42.1 | 176 | -75.3 | 179.7 | -0.6 | 0 | 0 | 112.2 | A306 R316 F317 M322 V323 F324 | A306-Q320 HydrophobicContact CB-CG 3.57Å; R316-Q320 WeakPolarHBondContact O-CG 3.28Å; R316-Q320 PolarHBondContact O-N 2.89Å; F317-Q320 PolarHBondContact O-N 2.9Å; F317-Q320 VanDerWaalsContact O-N 3.15Å; Q320-M322 VanDerWaalsContact C-N 3.3Å; Q320-M322 PolarHBondContact O-N 3.07Å; Q320-V323 PolarHBondContact O-N 2.96Å; Q320-F324 VanDerWaalsContact O-CB 3.27Å; Q320-F324 WeakPolarHBondContact O-CB 3.36Å; Q320-F324 PolarHBondContact O-N 2.74Å |
| 321 | D | 85.4 | Confident | 82.8 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 20% | 0.198 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.4 | -36.2 | 176.4 | -85.9 | -12.9 | 0 | 0 | 0 | 112.3 | F317 A318 V319 S325 G361 K363 | F317-D321 PolarHBondContact O-N 2.96Å; A318-D321 PolarHBondContact O-N 3.42Å; V319-D321 VanDerWaalsContact C-N 3.33Å; V319-D321 PolarHBondContact O-N 3.2Å; D321-S325 VanDerWaalsContact O-CB 3.29Å; D321-S325 WeakPolarHBondContact O-CB 3.07Å; D321-S325 PolarHBondContact O-N 2.78Å; D321-G361 WeakPolarHBondContact OD1-CA 3Å; D321-K363 HydrophobicContact CB-CD 4Å |
| 322 | M | 87.3 | Confident | 84.3 | Confident | 71 Ų | 71 | 59.6 Ų | 59.6 | 35% | 0.35 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.2 | -50.6 | 174.1 | -178.5 | -82.4 | -72.4 | 0 | 0 | 111.1 | F278 V309 A318 V319 Q320 F324 S325 E326 | F278-M322 HydrophobicContact CD1-CE 4.31Å; F278-M322 HydrophobicContact CD1-SD 4.35Å; F278-M322 HydrophobicContact CE1-CE 4.38Å; F278-M322 HydrophobicContact CE1-SD 3.87Å; V309-M322 HydrophobicContact CB-CE 4.28Å; V309-M322 HydrophobicContact CG1-CE 3.54Å; V309-M322 HydrophobicContact CG2-CE 3.77Å; A318-M322 WeakPolarHBondContact O-CB 3.42Å; A318-M322 PolarHBondContact O-N 2.87Å; V319-M322 PolarHBondContact O-N 2.82Å; Q320-M322 VanDerWaalsContact C-N 3.3Å; Q320-M322 PolarHBondContact O-N 3.07Å; M322-F324 VanDerWaalsContact C-N 3.3Å; M322-F324 PolarHBondContact O-N 3.11Å; M322-S325 WeakPolarHBondContact O-CB 3.11Å; M322-S325 PolarHBondContact O-N 2.91Å; M322-S325 VanDerWaalsContact O-N 3.13Å; M322-E326 PolarHBondContact O-N 2.67Å; M322-E326 HydrophobicContact SD-CG 4.36Å |
| 323 | V | 90.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | F278 L302 L305 V309 V319 Q320 E326 F327 | F278-V323 HydrophobicContact CD1-CG2 4.36Å; F278-V323 HydrophobicContact CD2-CG1 4.38Å; F278-V323 HydrophobicContact CD2-CG2 4.31Å; F278-V323 HydrophobicContact CE1-CG2 4.08Å; F278-V323 HydrophobicContact CE2-CB 4.28Å; F278-V323 HydrophobicContact CE2-CG1 3.6Å; F278-V323 HydrophobicContact CE2-CG2 4.06Å; F278-V323 HydrophobicContact CG-CG2 4.46Å; F278-V323 HydrophobicContact CZ-CB 4.05Å; F278-V323 HydrophobicContact CZ-CG1 3.77Å; F278-V323 HydrophobicContact CZ-CG2 3.93Å; L302-V323 HydrophobicContact CD1-CB 4.02Å; L302-V323 HydrophobicContact CD1-CG1 3.42Å; L302-V323 VanDerWaalsContact CD1-CG1 3.42Å; L305-V323 HydrophobicContact CB-CG1 4.15Å; V309-V323 HydrophobicContact CG2-CG2 3.7Å; V319-V323 WeakPolarHBondContact O-CG2 2.91Å; V319-V323 PolarHBondContact O-N 2.94Å; Q320-V323 PolarHBondContact O-N 2.96Å; V323-E326 PolarHBondContact O-N 3.14Å; V323-F327 HydrophobicContact CG1-CD2 3.91Å; V323-F327 HydrophobicContact CG1-CE2 3.53Å; V323-F327 VanDerWaalsContact O-CD2 3.24Å; V323-F327 WeakPolarHBondContact O-CD2 3.31Å; V323-F327 PolarHBondContact O-N 3.16Å |
| 324 | F | 90.9 | Very high | 87.8 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 175.7 | -173.4 | -80.7 | 0 | 0 | 0 | 111.6 | L189 V191 Q320 M322 E326 F327 R328 L340 K363 A364 E367 A368 | L189-F324 HydrophobicContact CD1-CE1 4.45Å; L189-F324 HydrophobicContact CD1-CE2 4.41Å; L189-F324 HydrophobicContact CD1-CZ 4.09Å; L189-F324 HydrophobicContact CD2-CE2 3.8Å; L189-F324 HydrophobicContact CD2-CZ 3.64Å; V191-F324 HydrophobicContact CG2-CE2 3.77Å; V191-F324 HydrophobicContact CG2-CZ 4.34Å; Q320-F324 VanDerWaalsContact O-CB 3.27Å; Q320-F324 WeakPolarHBondContact O-CB 3.36Å; Q320-F324 PolarHBondContact O-N 2.74Å; M322-F324 VanDerWaalsContact C-N 3.3Å; M322-F324 PolarHBondContact O-N 3.11Å; F324-E326 VanDerWaalsContact C-N 3.3Å; F324-E326 PolarHBondContact O-N 2.89Å; F324-F327 PolarHBondContact O-N 3.19Å; F324-R328 HydrophobicContact CE1-CB 4.35Å; F324-R328 WeakPolarHBondContact O-CB 3.03Å; F324-R328 PolarHBondContact O-N 3.28Å; F324-L340 HydrophobicContact CD2-CD2 3.59Å; F324-L340 HydrophobicContact CE2-CD2 3.84Å; F324-K363 HydrophobicContact CD1-CB 4.37Å; F324-A364 HydrophobicContact CD2-CB 3.86Å; F324-A364 HydrophobicContact CE2-CB 3.69Å; F324-A364 HydrophobicContact CZ-CB 4.26Å; F324-E367 HydrophobicContact CE1-CB 3.78Å; F324-E367 HydrophobicContact CZ-CB 4.5Å; F324-A368 HydrophobicContact CZ-CB 4.23Å |
| 325 | S | 91 | Very high | 89.1 | Confident | 44 Ų | 44 | 50.7 Ų | 50.7 | 31% | 0.308 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -39.1 | 178.6 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | D321 M322 R328 R329 | D321-S325 VanDerWaalsContact O-CB 3.29Å; D321-S325 WeakPolarHBondContact O-CB 3.07Å; D321-S325 PolarHBondContact O-N 2.78Å; M322-S325 WeakPolarHBondContact O-CB 3.11Å; M322-S325 PolarHBondContact O-N 2.91Å; M322-S325 VanDerWaalsContact O-N 3.13Å; S325-R328 PolarHBondContact O-N 3.44Å; S325-R329 WeakPolarHBondContact O-CB 3.33Å; S325-R329 PolarHBondContact O-N 2.84Å |
| 326 | E | 93.6 | Very high | 89.9 | Confident | 57 Ų | 57 | 47 Ų | 47 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | 175.2 | -77.5 | -55.5 | 128.2 | 0 | 0 | 112 | F278 M322 V323 F324 R328 R329 I330 | F278-E326 HydrophobicContact CE1-CB 4.15Å; F278-E326 HydrophobicContact CE1-CG 3.98Å; F278-E326 HydrophobicContact CZ-CB 3.89Å; F278-E326 HydrophobicContact CZ-CG 4.25Å; M322-E326 PolarHBondContact O-N 2.67Å; M322-E326 HydrophobicContact SD-CG 4.36Å; V323-E326 PolarHBondContact O-N 3.14Å; F324-E326 VanDerWaalsContact C-N 3.3Å; F324-E326 PolarHBondContact O-N 2.89Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 3.46Å; E326-R329 WeakPolarHBondContact O-CB 3.32Å; E326-R329 PolarHBondContact O-N 3.38Å; E326-R329 IonicContact OE1-NE 2.94Å; E326-R329 IonicContact OE2-CZ 3.67Å; E326-R329 IonicContact OE2-NE 3.76Å; E326-R329 PolarHBondContact OE2-NE 2.8Å; E326-R329 IonicContact OE2-NH2 2.8Å; E326-R329 PolarHBondContact OE2-NH2 3.36Å; E326-I330 VanDerWaalsContact O-CG1 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.22Å; E326-I330 PolarHBondContact O-N 3.38Å |
| 327 | F | 95.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.4 | -35.8 | 175.1 | -72.1 | -52.4 | 0 | 0 | 0 | 113.1 | L189 F278 I282 I285 V299 L305 V323 F324 R329 I330 A331 L338 L340 | L189-F327 HydrophobicContact CD1-CB 4.21Å; F278-F327 HydrophobicContact CE2-CE2 4.11Å; F278-F327 HydrophobicContact CE2-CZ 4.02Å; I282-F327 HydrophobicContact CD1-CD1 4.24Å; I282-F327 HydrophobicContact CD1-CE1 3.67Å; I282-F327 HydrophobicContact CD1-CZ 4.06Å; I285-F327 HydrophobicContact CD1-CE1 3.85Å; V299-F327 HydrophobicContact CG1-CE2 4.05Å; V299-F327 HydrophobicContact CG1-CZ 3.93Å; V299-F327 HydrophobicContact CG2-CD1 4.35Å; V299-F327 HydrophobicContact CG2-CE1 3.93Å; V299-F327 HydrophobicContact CG2-CZ 4.1Å; L305-F327 HydrophobicContact CD1-CE2 3.43Å; L305-F327 VanDerWaalsContact CD1-CE2 3.43Å; L305-F327 HydrophobicContact CD1-CZ 3.39Å; V323-F327 HydrophobicContact CG1-CD2 3.91Å; V323-F327 HydrophobicContact CG1-CE2 3.53Å; V323-F327 VanDerWaalsContact O-CD2 3.24Å; V323-F327 WeakPolarHBondContact O-CD2 3.31Å; V323-F327 PolarHBondContact O-N 3.16Å; F324-F327 PolarHBondContact O-N 3.19Å; F327-R329 VanDerWaalsContact C-N 3.34Å; F327-I330 HydrophobicContact CD1-CD1 4.2Å; F327-I330 PolarHBondContact O-N 2.68Å; F327-A331 WeakPolarHBondContact O-CB 3.08Å; F327-A331 PolarHBondContact O-N 2.79Å; F327-L338 HydrophobicContact CB-CD1 3.87Å; F327-L338 HydrophobicContact CB-CD2 4.15Å; F327-L338 HydrophobicContact CD1-CD1 3.7Å; F327-L338 HydrophobicContact CG-CD1 4.12Å; F327-L338 HydrophobicContact CG-CD2 4.5Å; F327-L340 HydrophobicContact CD2-CD1 4.23Å; F327-L340 HydrophobicContact CE2-CD1 4.42Å |
| 328 | R | 94.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 18% | 0.177 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -40.5 | 172.2 | -179.5 | 60.8 | -114.1 | 171.5 | -7.5 | 111.6 | G187 L189 F324 S325 E326 S332 D369 | G187-R328 VanDerWaalsContact O-CZ 3.31Å; G187-R328 PolarHBondContact O-NH1 3.28Å; G187-R328 PolarHBondContact O-NH2 3.42Å; L189-R328 HydrophobicContact CD1-CB 4.17Å; F324-R328 HydrophobicContact CE1-CB 4.35Å; F324-R328 WeakPolarHBondContact O-CB 3.03Å; F324-R328 PolarHBondContact O-N 3.28Å; S325-R328 PolarHBondContact O-N 3.44Å; E326-R328 VanDerWaalsContact C-N 3.34Å; E326-R328 PolarHBondContact O-N 3.46Å; R328-S332 VanDerWaalsContact CZ-OG 3.28Å; R328-S332 PolarHBondContact NE-OG 2.81Å; R328-S332 VanDerWaalsContact NE-OG 3.1Å; R328-S332 PolarHBondContact NH2-OG 2.77Å; R328-S332 WeakPolarHBondContact O-CB 3.17Å; R328-S332 PolarHBondContact O-N 3.31Å; R328-S332 PolarHBondContact O-OG 3.3Å; R328-D369 IonicContact CZ-OD2 2.9Å; R328-D369 IonicContact NH1-OD2 3.93Å; R328-D369 PolarHBondContact NH1-OD2 3.32Å; R328-D369 IonicContact NH2-OD2 2.96Å |
| 329 | R | 95.4 | Very high | 92.5 | Very high | 69 Ų | 69 | 30.9 Ų | 30.9 | 26% | 0.26 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.8 | -54.3 | 172.7 | -177.2 | -173.3 | 65.7 | 77.2 | 1.1 | 110.4 | E286 S325 E326 F327 A331 S332 E333 | E286-R329 IonicContact OE1-CZ 2.75Å; E286-R329 IonicContact OE1-NH1 3.37Å; E286-R329 PolarHBondContact OE1-NH1 3.32Å; E286-R329 IonicContact OE1-NH2 2.68Å; E286-R329 PolarHBondContact OE1-NH2 3.4Å; S325-R329 WeakPolarHBondContact O-CB 3.33Å; S325-R329 PolarHBondContact O-N 2.84Å; E326-R329 WeakPolarHBondContact O-CB 3.32Å; E326-R329 PolarHBondContact O-N 3.38Å; E326-R329 IonicContact OE1-NE 2.94Å; E326-R329 IonicContact OE2-CZ 3.67Å; E326-R329 IonicContact OE2-NE 3.76Å; E326-R329 PolarHBondContact OE2-NE 2.8Å; E326-R329 IonicContact OE2-NH2 2.8Å; E326-R329 PolarHBondContact OE2-NH2 3.36Å; F327-R329 VanDerWaalsContact C-N 3.34Å; R329-A331 PolarHBondContact O-N 2.95Å; R329-S332 PolarHBondContact O-N 3.48Å; R329-S332 VanDerWaalsContact O-N 3.13Å; R329-E333 WeakPolarHBondContact CD-OE1 3.27Å; R329-E333 HydrophobicContact CG-CG 4.01Å; R329-E333 VanDerWaalsContact CG-OE1 3.22Å; R329-E333 WeakPolarHBondContact CG-OE1 3.49Å; R329-E333 WeakPolarHBondContact CG-OE2 3.44Å; R329-E333 IonicContact CZ-OE2 3.88Å; R329-E333 IonicContact NH1-OE2 3.4Å; R329-E333 PolarHBondContact NH1-OE2 3.23Å; R329-E333 WeakPolarHBondContact O-CB 3.34Å; R329-E333 PolarHBondContact O-N 2.82Å |
| 330 | I | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.4 | -47.5 | -178.3 | -67.2 | 163.2 | 0 | 0 | 0 | 111.6 | I282 I285 E286 I289 E326 F327 S332 K334 | I282-I330 HydrophobicContact CB-CD1 4.46Å; I282-I330 HydrophobicContact CD1-CD1 3.61Å; I282-I330 HydrophobicContact CG1-CD1 4.37Å; I282-I330 HydrophobicContact CG2-CD1 3.76Å; I285-I330 HydrophobicContact CG2-CG2 4.33Å; E286-I330 HydrophobicContact CG-CG1 4.28Å; I289-I330 HydrophobicContact CD1-CG2 3.93Å; E326-I330 VanDerWaalsContact O-CG1 3.31Å; E326-I330 WeakPolarHBondContact O-CG1 3.22Å; E326-I330 PolarHBondContact O-N 3.38Å; F327-I330 HydrophobicContact CD1-CD1 4.2Å; F327-I330 PolarHBondContact O-N 2.68Å; I330-S332 VanDerWaalsContact C-N 3.28Å; I330-S332 PolarHBondContact O-N 3.39Å; I330-K334 HydrophobicContact CG2-CG 4.22Å; I330-K334 VanDerWaalsContact O-CB 3.27Å; I330-K334 WeakPolarHBondContact O-CB 3.42Å; I330-K334 PolarHBondContact O-N 3.34Å |
| 331 | A | 95.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.6 | -49.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | G187 L189 F327 R329 S335 V336 L338 | G187-A331 VanDerWaalsContact CA-O 3.25Å; G187-A331 WeakPolarHBondContact CA-O 3.19Å; L189-A331 HydrophobicContact CB-CB 4.49Å; F327-A331 WeakPolarHBondContact O-CB 3.08Å; F327-A331 PolarHBondContact O-N 2.79Å; R329-A331 PolarHBondContact O-N 2.95Å; A331-S335 VanDerWaalsContact O-CA 3.31Å; A331-S335 WeakPolarHBondContact O-CA 3.33Å; A331-S335 PolarHBondContact O-N 2.79Å; A331-V336 PolarHBondContact O-N 3.08Å; A331-L338 HydrophobicContact CB-CB 3.98Å |
| 332 | S | 92.5 | Very high | 93.6 | Very high | 53 Ų | 53 | 27.9 Ų | 27.9 | 37% | 0.371 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -67.6 | -53.4 | -177.7 | -47.7 | 0 | 0 | 0 | 0 | 112.9 | R328 R329 I330 S335 | R328-S332 VanDerWaalsContact CZ-OG 3.28Å; R328-S332 PolarHBondContact NE-OG 2.81Å; R328-S332 VanDerWaalsContact NE-OG 3.1Å; R328-S332 PolarHBondContact NH2-OG 2.77Å; R328-S332 WeakPolarHBondContact O-CB 3.17Å; R328-S332 PolarHBondContact O-N 3.31Å; R328-S332 PolarHBondContact O-OG 3.3Å; R329-S332 PolarHBondContact O-N 3.48Å; R329-S332 VanDerWaalsContact O-N 3.13Å; I330-S332 VanDerWaalsContact C-N 3.28Å; I330-S332 PolarHBondContact O-N 3.39Å; S332-S335 PolarHBondContact O-N 2.79Å |
| 333 | E | 93.9 | Very high | 93.6 | Very high | 122 Ų | 122 | 25.3 Ų | 25.3 | 57% | 0.57 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -70.5 | -41.5 | -173.3 | -71.8 | -178.2 | 178 | 0 | 0 | 112 | R329 S335 | R329-E333 WeakPolarHBondContact CD-OE1 3.27Å; R329-E333 HydrophobicContact CG-CG 4.01Å; R329-E333 VanDerWaalsContact CG-OE1 3.22Å; R329-E333 WeakPolarHBondContact CG-OE1 3.49Å; R329-E333 WeakPolarHBondContact CG-OE2 3.44Å; R329-E333 IonicContact CZ-OE2 3.88Å; R329-E333 IonicContact NH1-OE2 3.4Å; R329-E333 PolarHBondContact NH1-OE2 3.23Å; R329-E333 WeakPolarHBondContact O-CB 3.34Å; R329-E333 PolarHBondContact O-N 2.82Å; E333-S335 VanDerWaalsContact C-N 3.31Å |
| 334 | K | 94.6 | Very high | 93.1 | Very high | 59 Ų | 59 | 26 Ų | 26 | 26% | 0.257 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -86.1 | -3.9 | 178.1 | -55.9 | -61.1 | -174.6 | 178.9 | 0 | 113 | I289 E290 I330 V336 | I289-K334 HydrophobicContact CD1-CB 4.22Å; I289-K334 HydrophobicContact CD1-CG 4.27Å; I289-K334 HydrophobicContact CG2-CB 4.05Å; E290-K334 IonicContact OE1-NZ 2.92Å; E290-K334 PolarHBondContact OE1-NZ 3.23Å; I330-K334 HydrophobicContact CG2-CG 4.22Å; I330-K334 VanDerWaalsContact O-CB 3.27Å; I330-K334 WeakPolarHBondContact O-CB 3.42Å; I330-K334 PolarHBondContact O-N 3.34Å; K334-V336 HydrophobicContact CB-CG1 4.24Å; K334-V336 HydrophobicContact CB-CG2 4.44Å; K334-V336 PolarHBondContact O-N 3.3Å |
| 335 | S | 91.7 | Very high | 92.1 | Very high | 58 Ų | 58 | 31.8 Ų | 31.8 | 41% | 0.406 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 39.9 | 180 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | P186 A331 S332 E333 | P186-S335 WeakPolarHBondContact CA-O 3.41Å; P186-S335 WeakPolarHBondContact CB-O 3.49Å; A331-S335 VanDerWaalsContact O-CA 3.31Å; A331-S335 WeakPolarHBondContact O-CA 3.33Å; A331-S335 PolarHBondContact O-N 2.79Å; S332-S335 PolarHBondContact O-N 2.79Å; E333-S335 VanDerWaalsContact C-N 3.31Å |
| 336 | V | 95.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | trans | -104.2 | 155.1 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 110.5 | G187 I289 I294 V297 A331 K334 | G187-V336 PolarHBondContact N-O 2.83Å; I289-V336 HydrophobicContact CD1-CG1 4.13Å; I289-V336 HydrophobicContact CD1-CG2 4.03Å; I289-V336 HydrophobicContact CG1-CG1 4.17Å; I289-V336 HydrophobicContact CG2-CG1 3.61Å; I294-V336 WeakPolarHBondContact O-CG1 3.39Å; V297-V336 HydrophobicContact CG2-CG2 4.2Å; A331-V336 PolarHBondContact O-N 3.08Å; K334-V336 HydrophobicContact CB-CG1 4.24Å; K334-V336 HydrophobicContact CB-CG2 4.44Å; K334-V336 PolarHBondContact O-N 3.3Å | ||
| 337 | H | 95.5 | Very high | 89 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.1 | 166.7 | -166 | 84.3 | 0 | 0 | 0 | 109.6 | F168 L184 R185 T190 R295 H296 V297 | F168-H337 HydrophobicContact CE1-CB 4.13Å; F168-H337 HydrophobicContact CZ-CB 4.43Å; L184-H337 HydrophobicContact CB-CB 4.22Å; L184-H337 HydrophobicContact CD1-CB 4.22Å; L184-H337 HydrophobicContact CD2-CB 4.42Å; L184-H337 WeakPolarHBondContact CD2-CD2 3.49Å; L184-H337 VanDerWaalsContact CD2-NE2 3.27Å; L184-H337 WeakPolarHBondContact CD2-NE2 3.37Å; R185-H337 WeakPolarHBondContact O-CB 3.46Å; R185-H337 PolarHBondContact O-ND1 2.66Å; T190-H337 WeakPolarHBondContact CB-NE2 3.47Å; T190-H337 PolarHBondContact OG1-CE1 3.02Å; T190-H337 PolarHBondContact OG1-NE2 3.25Å; R295-H337 PolarHBondContact O-N 3.23Å; H296-H337 CarbonylContact C-O 3.58Å; H296-H337 WeakPolarHBondContact CA-O 3.11Å; H296-H337 AromaticContact CD2-CD2 3.86Å; H296-H337 PolarHBondContact CD2-O 2.93Å; V297-H337 PolarHBondContact N-O 3.24Å |
| 338 | L | 97.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.1 | 178.7 | -166.1 | 149.5 | 0 | 0 | 0 | 110.7 | E188 L189 T190 V297 V299 F327 A331 L340 | E188-L338 PolarHBondContact O-N 3.06Å; L189-L338 CarbonylContact C-O 3.59Å; L189-L338 WeakPolarHBondContact CA-O 3.3Å; L189-L338 HydrophobicContact CD1-CD2 4.14Å; L189-L338 HydrophobicContact CG-CD2 4.09Å; T190-L338 PolarHBondContact N-O 3.43Å; V297-L338 HydrophobicContact CB-CG 4.37Å; V297-L338 HydrophobicContact CG1-CD1 4.49Å; V297-L338 CarbonylContact O-C 3.44Å; V297-L338 WeakPolarHBondContact O-CA 3.45Å; V299-L338 HydrophobicContact CG2-CD2 4.48Å; F327-L338 HydrophobicContact CB-CD1 3.87Å; F327-L338 HydrophobicContact CB-CD2 4.15Å; F327-L338 HydrophobicContact CD1-CD1 3.7Å; F327-L338 HydrophobicContact CG-CD1 4.12Å; F327-L338 HydrophobicContact CG-CD2 4.5Å; A331-L338 HydrophobicContact CB-CB 3.98Å; L338-L340 HydrophobicContact CD2-CB 3.82Å |
| 339 | T | 96.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 115.3 | 172.6 | -58.2 | 0 | 0 | 0 | 0 | 109.7 | T190 F192 I204 H296 V297 V298 V299 | T190-T339 HydrophobicContact CG2-CG2 4.23Å; T190-T339 CarbonylContact O-C 3.38Å; T190-T339 WeakPolarHBondContact O-CA 3.27Å; F192-T339 HydrophobicContact CB-CG2 4.46Å; I204-T339 HydrophobicContact CD1-CG2 4.22Å; I204-T339 HydrophobicContact CG2-CG2 4.36Å; H296-T339 PolarHBondContact NE2-OG1 2.81Å; V297-T339 PolarHBondContact O-N 2.85Å; V298-T339 CarbonylContact C-O 3.59Å; V298-T339 WeakPolarHBondContact CA-O 3.4Å; V299-T339 PolarHBondContact N-O 3.38Å |
| 340 | L | 95.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.4 | -176.1 | -178.1 | 63.2 | 0 | 0 | 0 | 110.7 | T190 V191 F192 V299 L302 F324 F327 L338 V342 | T190-L340 PolarHBondContact O-N 2.91Å; V191-L340 WeakPolarHBondContact CA-O 3.35Å; F192-L340 PolarHBondContact N-O 2.97Å; V299-L340 HydrophobicContact CB-CD1 3.69Å; V299-L340 HydrophobicContact CG1-CD1 3.58Å; L302-L340 HydrophobicContact CB-CD1 4.02Å; L302-L340 HydrophobicContact CB-CD2 4.44Å; L302-L340 HydrophobicContact CB-CG 4.3Å; L302-L340 HydrophobicContact CD1-CD1 4.3Å; L302-L340 HydrophobicContact CD1-CD2 4.1Å; L302-L340 HydrophobicContact CD2-CD2 4.33Å; F324-L340 HydrophobicContact CD2-CD2 3.59Å; F324-L340 HydrophobicContact CE2-CD2 3.84Å; F327-L340 HydrophobicContact CD2-CD1 4.23Å; F327-L340 HydrophobicContact CE2-CD1 4.42Å; L338-L340 HydrophobicContact CD2-CB 3.82Å; L340-V342 HydrophobicContact CD2-CG2 4.04Å; L340-V342 HydrophobicContact CG-CG2 3.86Å |
| 341 | V | 93.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 126.6 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | F192 K200 I204 V299 D300 N301 L302 | F192-V341 WeakPolarHBondContact O-CA 3.27Å; K200-V341 HydrophobicContact CB-CG1 4.33Å; K200-V341 HydrophobicContact CD-CG1 3.85Å; I204-V341 HydrophobicContact CD1-CG2 3.34Å; V299-V341 PolarHBondContact O-N 2.82Å; D300-V341 HydrophobicContact CB-CB 4.37Å; D300-V341 HydrophobicContact CB-CG2 3.96Å; D300-V341 WeakPolarHBondContact OD1-CB 3.45Å; D300-V341 WeakPolarHBondContact OD1-CG1 3.38Å; D300-V341 WeakPolarHBondContact OD1-CG2 3.41Å; N301-V341 HydrophobicContact CB-CB 3.93Å; N301-V341 HydrophobicContact CB-CG1 3.94Å; L302-V341 WeakPolarHBondContact CB-O 3.35Å; L302-V341 PolarHBondContact N-O 3.2Å |
| 342 | V | 89.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 118 | -179.4 | -173.9 | 0 | 0 | 0 | 0 | 109.4 | V191 F192 S193 L302 L340 | V191-V342 HydrophobicContact CG1-CB 4.04Å; V191-V342 HydrophobicContact CG1-CG2 3.88Å; F192-V342 PolarHBondContact O-N 2.73Å; S193-V342 WeakPolarHBondContact CA-O 3.43Å; S193-V342 WeakPolarHBondContact CB-O 3.46Å; S193-V342 PolarHBondContact OG-O 3.3Å; L302-V342 HydrophobicContact CB-CG2 4.06Å; L302-V342 HydrophobicContact CD2-CG1 4.14Å; L302-V342 HydrophobicContact CD2-CG2 3.86Å; L340-V342 HydrophobicContact CD2-CG2 4.04Å; L340-V342 HydrophobicContact CG-CG2 3.86Å |
| 343 | H | 85.7 | Confident | 78.2 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 152.2 | 170.3 | -67.6 | -96.1 | 0 | 0 | 0 | 112.3 | T196 K200 E227 N301 Q303 Y359 | T196-H343 PolarHBondContact OG1-CE1 3.45Å; T196-H343 VanDerWaalsContact OG1-CE1 3.23Å; T196-H343 PolarHBondContact OG1-ND1 3.4Å; K200-H343 PolarHBondContact NZ-CE1 3.22Å; K200-H343 PolarHBondContact NZ-ND1 2.96Å; E227-H343 IonicContact OE2-NE2 3.67Å; E227-H343 PolarHBondContact OE2-NE2 3.05Å; N301-H343 PolarHBondContact ND2-CD2 3.19Å; N301-H343 PolarHBondContact ND2-NE2 3.39Å; N301-H343 VanDerWaalsContact ND2-NE2 3.11Å; Q303-H343 PolarHBondContact NE2-O 2.99Å; Q303-H343 PolarHBondContact OE1-CD2 2.57Å; H343-Y359 HydrophobicContact CB-CD2 4.41Å; H343-Y359 HydrophobicContact CB-CE2 4.41Å; H343-Y359 WeakPolarHBondContact O-CB 3.36Å; H343-Y359 WeakPolarHBondContact O-CD2 3.22Å |
| 344 | P | 80.4 | Confident | 76.9 | Confident | 14 Ų | 14 | 61.2 Ų | 61.2 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 165 | 168.8 | 33.7 | -36.4 | 0 | 0 | 0 | 111.9 | G194 L353 S357 Y359 | G194-P344 VanDerWaalsContact C-CD 3.42Å; G194-P344 WeakPolarHBondContact O-CD 3.18Å; P344-L353 HydrophobicContact CB-CD1 4.25Å; P344-L353 HydrophobicContact CB-CD2 3.99Å; P344-L353 HydrophobicContact CG-CD1 3.84Å; P344-L353 HydrophobicContact CG-CD2 4.17Å; P344-S357 CarbonylContact C-O 3.15Å; P344-S357 WeakPolarHBondContact CA-O 3.5Å; P344-S357 VanDerWaalsContact CB-O 3.23Å; P344-S357 WeakPolarHBondContact CB-O 3.43Å; P344-Y359 WeakPolarHBondContact O-CD2 3.21Å; P344-Y359 WeakPolarHBondContact O-CE2 3.41Å |
| 345 | R | 70.8 | Confident | 75.4 | Confident | 124 Ų | 124 | 60.5 Ų | 60.5 | 47% | 0.468 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 149.9 | 166.7 | -75.4 | -169.7 | 173.7 | -179.6 | 0.6 | 109.8 | E347 S357 | R345-E347 VanDerWaalsContact C-N 3.32Å; R345-E347 PolarHBondContact O-N 2.77Å; R345-S357 PolarHBondContact N-O 2.89Å |
| 346 | K | 64 | Low | 74.2 | Confident | 218 Ų | 218 | 64.6 Ų | 64.6 | 95% | 0.948 | 35% | 0.345 | S | S | * | . | trans | -68.6 | 94.7 | 160.7 | -71.5 | -175.9 | 179.4 | -179.1 | 0 | 107.2 | ||||
| 347 | E | 55.4 | Low | 73 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -76.3 | 147.7 | 160.8 | -72.5 | -171.8 | -153.8 | 0 | 0 | 109.2 | R345 D349 S357 | R345-E347 VanDerWaalsContact C-N 3.32Å; R345-E347 PolarHBondContact O-N 2.77Å; E347-D349 PolarHBondContact O-N 3.17Å; E347-S357 WeakPolarHBondContact OE1-CA 3.22Å; E347-S357 WeakPolarHBondContact OE1-CB 3.46Å; E347-S357 PolarHBondContact OE1-OG 2.95Å | ||
| 348 | L | 49.2 | Very low | 71.5 | Confident | 179 Ų | 179 | 65 Ų | 65 | 94% | 0.937 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -67 | -22.4 | 178.7 | -88.5 | 129.5 | 0 | 0 | 0 | 112.4 | ||
| 349 | D | 49.5 | Very low | 69.5 | Low | 129 Ų | 129 | 68.8 Ų | 68.8 | 69% | 0.69 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -99.9 | 130.8 | -173.4 | -67.5 | -29.6 | 0 | 0 | 0 | 111.2 | E347 G351 | E347-D349 PolarHBondContact O-N 3.17Å; D349-G351 PolarHBondContact O-N 2.95Å |
| 350 | S | 53.5 | Low | 67.3 | Low | 139 Ų | 139 | 69.3 Ų | 69.3 | 97% | 0.972 | 37% | 0.367 | S | S | * | . | trans | -65.3 | 26.4 | 171.2 | 58 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 351 | G | 62.3 | Low | 65.4 | Low | 55 Ų | 55 | 69.7 Ų | 69.7 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -76.7 | 176.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | D349 L353 | D349-G351 PolarHBondContact O-N 2.95Å; G351-L353 PolarHBondContact O-N 3.25Å |
| 352 | Q | 61.8 | Low | 63.8 | Low | 96 Ų | 96 | 74.4 Ų | 74.4 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | trans | -67.8 | 126.2 | 175 | -173.7 | -175.6 | -22.7 | 0 | 0 | 109.5 | T354 Q394 | Q352-T354 PolarHBondContact O-N 3.05Å; Q352-Q394 VanDerWaalsContact NE2-NE2 3.18Å | ||
| 353 | L | 65.5 | Low | 62.7 | Low | 30 Ų | 30 | 77.7 Ų | 77.7 | 16% | 0.157 | 41% | 0.414 | C | S | . | . | trans | -61.6 | 130.5 | 172.8 | -61.3 | 169.3 | 0 | 0 | 0 | 109.7 | P344 G351 M373 Q375 | P344-L353 HydrophobicContact CB-CD1 4.25Å; P344-L353 HydrophobicContact CB-CD2 3.99Å; P344-L353 HydrophobicContact CG-CD1 3.84Å; P344-L353 HydrophobicContact CG-CD2 4.17Å; G351-L353 PolarHBondContact O-N 3.25Å; L353-M373 HydrophobicContact CB-CE 4.02Å; L353-M373 HydrophobicContact CB-CG 3.98Å; L353-M373 HydrophobicContact CB-SD 3.83Å; L353-M373 HydrophobicContact CD1-CG 4.33Å; L353-M373 HydrophobicContact CD1-SD 3.65Å; L353-M373 HydrophobicContact CG-SD 4.4Å; L353-Q375 HydrophobicContact CD1-CG 4.4Å; L353-Q375 PolarHBondContact O-NE2 3.45Å | ||
| 354 | T | 67.8 | Low | 62 | Low | 61 Ų | 61 | 77.1 Ų | 77.1 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | trans | -111 | 177.9 | 178.5 | 65.6 | 0 | 0 | 0 | 0 | 110.6 | Q352 N356 S357 | Q352-T354 PolarHBondContact O-N 3.05Å; T354-N356 PolarHBondContact O-N 3.38Å; T354-N356 PolarHBondContact OG1-N 3.02Å; T354-S357 PolarHBondContact N-OG 3.15Å; T354-S357 VanDerWaalsContact N-OG 3.11Å; T354-S357 WeakPolarHBondContact O-CB 3.39Å; T354-S357 PolarHBondContact O-N 3.33Å; T354-S357 PolarHBondContact OG1-OG 3.12Å | ||
| 355 | L | 63.4 | Low | 61.7 | Low | 44 Ų | 44 | 77.9 Ų | 77.9 | 23% | 0.23 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -55.6 | -32.4 | 170.6 | -76.5 | 174.2 | 0 | 0 | 0 | 112.2 | S357 L358 V371 L396 | L355-S357 PolarHBondContact O-N 3.48Å; L355-L358 HydrophobicContact CD2-CD1 4.17Å; L355-L358 PolarHBondContact O-N 3.01Å; L355-V371 HydrophobicContact CD2-CB 4.12Å; L355-V371 HydrophobicContact CD2-CG1 3.82Å; L355-V371 HydrophobicContact CD2-CG2 4.29Å; L355-L396 HydrophobicContact CD1-CB 4.43Å; L355-L396 HydrophobicContact CD2-CB 3.43Å; L355-L396 VanDerWaalsContact CD2-CB 3.43Å; L355-L396 HydrophobicContact CD2-CD1 3.85Å; L355-L396 HydrophobicContact CD2-CG 4.29Å; L355-L396 HydrophobicContact CG-CB 3.77Å; L355-L396 HydrophobicContact CG-CD1 4.08Å; L355-L396 HydrophobicContact CG-CG 4.46Å |
| 356 | N | 66.1 | Low | 62 | Low | 144 Ų | 144 | 78 Ų | 78 | 77% | 0.77 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -70.9 | -20.2 | 179.1 | -62.5 | -17.4 | 0 | 0 | 0 | 112.7 | T354 L358 | T354-N356 PolarHBondContact O-N 3.38Å; T354-N356 PolarHBondContact OG1-N 3.02Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.28Å |
| 357 | S | 68.8 | Low | 63 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -81 | -8.6 | -179.9 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | P344 R345 E347 T354 L355 | P344-S357 CarbonylContact C-O 3.15Å; P344-S357 WeakPolarHBondContact CA-O 3.5Å; P344-S357 VanDerWaalsContact CB-O 3.23Å; P344-S357 WeakPolarHBondContact CB-O 3.43Å; R345-S357 PolarHBondContact N-O 2.89Å; E347-S357 WeakPolarHBondContact OE1-CA 3.22Å; E347-S357 WeakPolarHBondContact OE1-CB 3.46Å; E347-S357 PolarHBondContact OE1-OG 2.95Å; T354-S357 PolarHBondContact N-OG 3.15Å; T354-S357 VanDerWaalsContact N-OG 3.11Å; T354-S357 WeakPolarHBondContact O-CB 3.39Å; T354-S357 PolarHBondContact O-N 3.33Å; T354-S357 PolarHBondContact OG1-OG 3.12Å; L355-S357 PolarHBondContact O-N 3.48Å |
| 358 | L | 64.9 | Low | 64.6 | Low | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -64.3 | 135.6 | 174.7 | -66.7 | 171.4 | 0 | 0 | 0 | 110.3 | V191 S193 L355 N356 G360 V371 M373 | V191-L358 HydrophobicContact CG1-CD2 4.47Å; S193-L358 WeakPolarHBondContact OG-CD2 3.23Å; L355-L358 HydrophobicContact CD2-CD1 4.17Å; L355-L358 PolarHBondContact O-N 3.01Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 3.28Å; L358-G360 PolarHBondContact O-N 3.21Å; L358-V371 HydrophobicContact CD1-CG1 3.72Å; L358-M373 HydrophobicContact CD2-CE 3.63Å; L358-M373 HydrophobicContact CG-CE 4.15Å |
| 359 | Y | 55.2 | Low | 66.4 | Low | 78 Ų | 78 | 57.6 Ų | 57.6 | 31% | 0.306 | 33% | 0.328 | S | S | . | . | trans | -47 | 137.2 | 177.2 | -118.5 | -94.2 | 0 | 0 | 0 | 111.6 | F317 H343 P344 G361 | F317-Y359 HydrophobicContact CE1-CD1 4.28Å; F317-Y359 HydrophobicContact CE1-CE1 4.47Å; H343-Y359 HydrophobicContact CB-CD2 4.41Å; H343-Y359 HydrophobicContact CB-CE2 4.41Å; H343-Y359 WeakPolarHBondContact O-CB 3.36Å; H343-Y359 WeakPolarHBondContact O-CD2 3.22Å; P344-Y359 WeakPolarHBondContact O-CD2 3.21Å; P344-Y359 WeakPolarHBondContact O-CE2 3.41Å; Y359-G361 PolarHBondContact O-N 3.48Å | ||
| 360 | G | 51.1 | Low | 68.2 | Low | 14 Ų | 14 | 51.7 Ų | 51.7 | 14% | 0.144 | 30% | 0.296 | C | S | . | . | S | Bend | 62 | -10.6 | 129.2 | 0 | 0 | 0 | 0 | 0 | 120.9 | L358 | L358-G360 PolarHBondContact O-N 3.21Š| |
| 361 | G | 54.9 | Low | 69.8 | Low | 8 Ų | 8 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | trans | -139.2 | 103.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | D321 Y359 K363 A364 | D321-G361 WeakPolarHBondContact OD1-CA 3Å; Y359-G361 PolarHBondContact O-N 3.48Å; G361-K363 PolarHBondContact O-N 3.23Å; G361-K363 VanDerWaalsContact O-N 3.07Å; G361-A364 PolarHBondContact O-N 2.94Å | ||
| 362 | V | 59 | Low | 71 | Confident | 99 Ų | 99 | 42.8 Ų | 42.8 | 60% | 0.6 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -46.4 | -31 | 155.1 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | S365 Q366 | V362-S365 PolarHBondContact O-OG 3.15Å; V362-Q366 VanDerWaalsContact CG1-CD 3.42Å; V362-Q366 HydrophobicContact CG1-CG 4.29Å; V362-Q366 WeakPolarHBondContact O-CB 3.38Å; V362-Q366 WeakPolarHBondContact O-CG 3.14Å; V362-Q366 PolarHBondContact O-N 3.27Å; V362-Q366 VanDerWaalsContact O-N 3.13Å |
| 363 | K | 67 | Low | 72.2 | Confident | 69 Ų | 69 | 38.2 Ų | 38.2 | 30% | 0.3 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 170.8 | -64.5 | -166.8 | 171.8 | -171.8 | 0 | 114.7 | D321 F324 G361 S365 Q366 E367 | D321-K363 HydrophobicContact CB-CD 4Å; F324-K363 HydrophobicContact CD1-CB 4.37Å; G361-K363 PolarHBondContact O-N 3.23Å; G361-K363 VanDerWaalsContact O-N 3.07Å; K363-S365 VanDerWaalsContact C-N 3.3Å; K363-S365 PolarHBondContact O-N 3.36Å; K363-Q366 PolarHBondContact O-N 2.81Å; K363-Q366 VanDerWaalsContact O-N 3.17Å; K363-E367 HydrophobicContact CB-CG 4.28Å; K363-E367 VanDerWaalsContact CD-OE1 3.25Å; K363-E367 WeakPolarHBondContact CD-OE1 3.44Å; K363-E367 VanDerWaalsContact CG-OE1 3.27Å; K363-E367 WeakPolarHBondContact CG-OE1 3.38Å; K363-E367 WeakPolarHBondContact O-CA 3.38Å; K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 PolarHBondContact O-N 3.05Å |
| 364 | A | 71.2 | Confident | 73.3 | Confident | 4 Ų | 4 | 36.8 Ų | 36.8 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.8 | -39.8 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | F324 G361 A368 | F324-A364 HydrophobicContact CD2-CB 3.86Å; F324-A364 HydrophobicContact CE2-CB 3.69Å; F324-A364 HydrophobicContact CZ-CB 4.26Å; G361-A364 PolarHBondContact O-N 2.94Å; A364-A368 WeakPolarHBondContact O-CB 3.47Å; A364-A368 PolarHBondContact O-N 2.83Å |
| 365 | S | 73.8 | Confident | 74.1 | Confident | 31 Ų | 31 | 35 Ų | 35 | 22% | 0.217 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -77.3 | -32.9 | 176.1 | 60.8 | 0 | 0 | 0 | 0 | 113.1 | V362 K363 K397 | V362-S365 PolarHBondContact O-OG 3.15Å; K363-S365 VanDerWaalsContact C-N 3.3Å; K363-S365 PolarHBondContact O-N 3.36Å; S365-K397 WeakPolarHBondContact O-CD 3.31Å; S365-K397 PolarHBondContact O-NZ 2.82Å |
| 366 | Q | 78.3 | Confident | 74.9 | Confident | 126 Ų | 126 | 35.3 Ų | 35.3 | 59% | 0.589 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -85.2 | -42.7 | -177.8 | -70.7 | -179.8 | -0.2 | 0 | 0 | 114.2 | V362 K363 K397 | V362-Q366 VanDerWaalsContact CG1-CD 3.42Å; V362-Q366 HydrophobicContact CG1-CG 4.29Å; V362-Q366 WeakPolarHBondContact O-CB 3.38Å; V362-Q366 WeakPolarHBondContact O-CG 3.14Å; V362-Q366 PolarHBondContact O-N 3.27Å; V362-Q366 VanDerWaalsContact O-N 3.13Å; K363-Q366 PolarHBondContact O-N 2.81Å; K363-Q366 VanDerWaalsContact O-N 3.17Å; Q366-K397 VanDerWaalsContact C-NZ 3.3Å; Q366-K397 PolarHBondContact O-NZ 3Å |
| 367 | E | 84 | Confident | 75.4 | Confident | 56 Ų | 56 | 36 Ų | 36 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -89 | -22.6 | -174.6 | -62.5 | -177.6 | -163 | 0 | 0 | 113.2 | F324 K363 | F324-E367 HydrophobicContact CE1-CB 3.78Å; F324-E367 HydrophobicContact CZ-CB 4.5Å; K363-E367 HydrophobicContact CB-CG 4.28Å; K363-E367 VanDerWaalsContact CD-OE1 3.25Å; K363-E367 WeakPolarHBondContact CD-OE1 3.44Å; K363-E367 VanDerWaalsContact CG-OE1 3.27Å; K363-E367 WeakPolarHBondContact CG-OE1 3.38Å; K363-E367 WeakPolarHBondContact O-CA 3.38Å; K363-E367 WeakPolarHBondContact O-CB 3.38Å; K363-E367 PolarHBondContact O-N 3.05Å |
| 368 | A | 88.6 | Confident | 75.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -64.9 | 140.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L189 V191 F324 A364 V371 K397 | L189-A368 HydrophobicContact CD2-CB 4.03Å; V191-A368 HydrophobicContact CB-CB 4.27Å; V191-A368 HydrophobicContact CG2-CB 3.61Å; F324-A368 HydrophobicContact CZ-CB 4.23Å; A364-A368 WeakPolarHBondContact O-CB 3.47Å; A364-A368 PolarHBondContact O-N 2.83Å; A368-V371 HydrophobicContact CB-CG2 4.05Å; A368-K397 VanDerWaalsContact O-CE 3.3Å; A368-K397 WeakPolarHBondContact O-CE 3.37Å; A368-K397 PolarHBondContact O-NZ 3.09Å | ||
| 369 | D | 88 | Confident | 75.7 | Confident | 16 Ų | 16 | 44 Ų | 44 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -80.3 | -39 | 176.8 | -59.8 | -61.8 | 0 | 0 | 0 | 110.8 | E188 L189 R328 R399 | E188-D369 VanDerWaalsContact CA-OD2 3.25Å; E188-D369 WeakPolarHBondContact CA-OD2 3.49Å; E188-D369 HydrophobicContact CB-CB 4.18Å; E188-D369 HydrophobicContact CG-CB 4.08Å; L189-D369 PolarHBondContact N-OD2 3.44Å; L189-D369 PolarHBondContact O-N 3.04Å; R328-D369 IonicContact CZ-OD2 2.9Å; R328-D369 IonicContact NH1-OD2 3.93Å; R328-D369 PolarHBondContact NH1-OD2 3.32Å; R328-D369 IonicContact NH2-OD2 2.96Å; D369-R399 HydrophobicContact CB-CB 4.43Å; D369-R399 WeakPolarHBondContact O-CB 3.38Å; D369-R399 PolarHBondContact O-N 2.79Å; D369-R399 WeakPolarHBondContact OD1-CD 2.99Å; D369-R399 IonicContact OD1-NH1 2.72Å |
| 370 | N | 87.6 | Confident | 76.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.027 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.9 | 179.4 | -51.9 | -59.6 | 0 | 0 | 0 | 110.4 | E188 L189 T190 V191 K397 | E188-N370 PolarHBondContact OE2-ND2 3.24Å; L189-N370 PolarHBondContact O-N 3.27Å; T190-N370 CarbonylContact C-O 3.53Å; T190-N370 WeakPolarHBondContact CA-O 3.45Å; T190-N370 HydrophobicContact CG2-CB 4.44Å; T190-N370 PolarHBondContact OG1-ND2 3.42Å; V191-N370 PolarHBondContact N-O 3.17Å; N370-K397 WeakPolarHBondContact CA-O 3.44Å |
| 371 | V | 87.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 117.9 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 110.1 | V191 L355 L358 A368 L396 K397 | V191-V371 HydrophobicContact CB-CG2 4.41Å; V191-V371 WeakPolarHBondContact O-CA 3.15Å; L355-V371 HydrophobicContact CD2-CB 4.12Å; L355-V371 HydrophobicContact CD2-CG1 3.82Å; L355-V371 HydrophobicContact CD2-CG2 4.29Å; L358-V371 HydrophobicContact CD1-CG1 3.72Å; A368-V371 HydrophobicContact CB-CG2 4.05Å; V371-L396 HydrophobicContact CB-CB 4.32Å; V371-L396 HydrophobicContact CG1-CB 4.15Å; V371-L396 HydrophobicContact CG1-CD1 4.3Å; V371-L396 PolarHBondContact O-N 3.47Å; V371-K397 HydrophobicContact CB-CB 3.94Å; V371-K397 HydrophobicContact CG2-CB 3.92Å; V371-K397 HydrophobicContact CG2-CD 4.17Å; V371-K397 PolarHBondContact N-O 3.18Å |
| 372 | Y | 87.3 | Confident | 77.7 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 141.2 | 170.5 | -57.2 | -57.9 | 0 | 0 | 0 | 111.2 | L181 T190 V191 F192 S193 Q394 I395 | L181-Y372 HydrophobicContact CD1-CE1 3.77Å; L181-Y372 HydrophobicContact CD1-CE2 4.48Å; L181-Y372 VanDerWaalsContact CD1-CZ 3.45Å; L181-Y372 WeakPolarHBondContact CD1-OH 3.47Å; L181-Y372 HydrophobicContact CD2-CE1 3.69Å; L181-Y372 WeakPolarHBondContact CD2-OH 3.18Å; L181-Y372 HydrophobicContact CG-CE1 4.22Å; L181-Y372 VanDerWaalsContact CG-OH 3.31Å; L181-Y372 WeakPolarHBondContact CG-OH 3.45Å; T190-Y372 HydrophobicContact CG2-CD2 3.46Å; T190-Y372 VanDerWaalsContact CG2-CD2 3.46Å; T190-Y372 HydrophobicContact CG2-CE2 3.18Å; V191-Y372 PolarHBondContact O-N 2.7Å; F192-Y372 AromaticContact CD2-CD2 3.58Å; F192-Y372 HydrophobicContact CD2-CD2 3.58Å; F192-Y372 AromaticContact CD2-CG 3.98Å; F192-Y372 HydrophobicContact CD2-CG 3.98Å; F192-Y372 HydrophobicContact CE2-CD2 4.01Å; F192-Y372 HydrophobicContact CE2-CG 4.09Å; F192-Y372 HydrophobicContact CG-CD2 4.49Å; S193-Y372 PolarHBondContact N-O 2.74Å; Y372-Q394 WeakPolarHBondContact CA-O 3.39Å; Y372-I395 HydrophobicContact CD1-CG1 4.01Å; Y372-I395 HydrophobicContact CE1-CD1 4.39Å; Y372-I395 HydrophobicContact CE1-CG1 3.93Å; Y372-I395 HydrophobicContact CE1-CG2 4.31Å |
| 373 | M | 86.5 | Confident | 78.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.1 | 170 | -171.3 | 68.5 | 68.9 | 0 | 0 | 109.5 | S193 L353 L358 Q375 Q393 Q394 L396 | S193-M373 CarbonylContact O-C 3.53Å; S193-M373 WeakPolarHBondContact O-CA 3.37Å; L353-M373 HydrophobicContact CB-CE 4.02Å; L353-M373 HydrophobicContact CB-CG 3.98Å; L353-M373 HydrophobicContact CB-SD 3.83Å; L353-M373 HydrophobicContact CD1-CG 4.33Å; L353-M373 HydrophobicContact CD1-SD 3.65Å; L353-M373 HydrophobicContact CG-SD 4.4Å; L358-M373 HydrophobicContact CD2-CE 3.63Å; L358-M373 HydrophobicContact CG-CE 4.15Å; M373-Q375 HydrophobicContact CG-CG 3.9Å; M373-Q393 WeakPolarHBondContact O-CA 3.33Å; M373-Q394 HydrophobicContact CB-CB 4.33Å; M373-Q394 PolarHBondContact N-O 3.25Å; M373-Q394 PolarHBondContact O-N 3.17Å; M373-L396 HydrophobicContact CB-CD1 3.72Å; M373-L396 HydrophobicContact CB-CG 4.13Å; M373-L396 HydrophobicContact CE-CD1 3.94Å; M373-L396 HydrophobicContact CG-CD1 4.39Å |
| 374 | L | 88.3 | Confident | 78.2 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 110.8 | 173.1 | -175.5 | 63.8 | 0 | 0 | 0 | 109.4 | F192 S193 G194 P195 S198 K200 F203 Y391 L412 | F192-L374 HydrophobicContact CE1-CB 3.63Å; F192-L374 HydrophobicContact CE1-CD2 4.01Å; F192-L374 HydrophobicContact CE1-CG 4.43Å; F192-L374 HydrophobicContact CZ-CB 4.15Å; F192-L374 HydrophobicContact CZ-CD2 4.42Å; S193-L374 PolarHBondContact O-N 2.86Å; G194-L374 VanDerWaalsContact CA-O 3.27Å; G194-L374 WeakPolarHBondContact CA-O 3.39Å; P195-L374 WeakPolarHBondContact CD-O 3.46Å; S198-L374 WeakPolarHBondContact O-CD2 3.43Å; K200-L374 HydrophobicContact CG-CD2 4.34Å; F203-L374 HydrophobicContact CB-CD2 4.46Å; L374-Y391 HydrophobicContact CD1-CD1 4.39Å; L374-L412 HydrophobicContact CD1-CD1 3.85Å |
| 375 | Q | 84.4 | Confident | 77.9 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 145.2 | 179 | -62.4 | 179.4 | -6.3 | 0 | 0 | 110.2 | L353 M373 Y391 F392 | L353-Q375 HydrophobicContact CD1-CG 4.4Å; L353-Q375 PolarHBondContact O-NE2 3.45Å; M373-Q375 HydrophobicContact CG-CG 3.9Å; Q375-Y391 CarbonylContact O-C 3.57Å; Q375-Y391 WeakPolarHBondContact O-CA 3.45Å; Q375-F392 HydrophobicContact CB-CB 4.42Å; Q375-F392 PolarHBondContact N-O 3.4Å; Q375-F392 PolarHBondContact O-N 3.31Å |
| 376 | V | 81.1 | Confident | 77.3 | Confident | 51 Ų | 51 | 58.2 Ų | 58.2 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.3 | 173.6 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | H389 Y391 | V376-H389 HydrophobicContact CG1-CB 3.91Å; V376-Y391 HydrophobicContact CG1-CE1 4.4Å; V376-Y391 HydrophobicContact CG2-CD1 3.66Å; V376-Y391 HydrophobicContact CG2-CE1 3.58Å |
| 377 | R | 76.7 | Confident | 76.5 | Confident | 157 Ų | 157 | 61.3 Ų | 61.3 | 59% | 0.592 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 125.5 | 170.5 | -170.1 | 176.9 | 177.8 | 175.6 | 0.4 | 109 | I379 R390 F392 | R377-I379 HydrophobicContact CG-CG1 4.44Å; R377-R390 PolarHBondContact N-O 2.87Å; R377-R390 PolarHBondContact O-N 3.22Å; R377-F392 HydrophobicContact CB-CD2 3.99Å; R377-F392 HydrophobicContact CB-CE2 3.63Å; R377-F392 HydrophobicContact CG-CE2 4.43Å |
| 378 | Q | 70.8 | Confident | 75.2 | Confident | 132 Ų | 132 | 61.8 Ų | 61.8 | 62% | 0.617 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 125.8 | 167.8 | -65.4 | -176.5 | -0.3 | 0 | 0 | 108.8 | H389 | Q378-H389 PolarHBondContact NE2-NE2 3.47Å |
| 379 | I | 69.1 | Low | 74.1 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 25% | 0.246 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128.9 | 170.1 | -60.6 | 176.6 | 0 | 0 | 0 | 107.6 | R377 I388 R390 | R377-I379 HydrophobicContact CG-CG1 4.44Å; I379-I388 HydrophobicContact CB-CB 4.17Å; I379-I388 PolarHBondContact N-O 2.84Å; I379-I388 PolarHBondContact O-N 3.34Å; I379-R390 VanDerWaalsContact CD1-CD 3.44Å; I379-R390 HydrophobicContact CD1-CG 3.9Å |
| 380 | L | 68.9 | Low | 73.1 | Confident | 120 Ų | 120 | 68.9 Ų | 68.9 | 63% | 0.628 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 129.5 | 172.8 | -66 | 164 | 0 | 0 | 0 | 108.8 | P386 | L380-P386 HydrophobicContact CD2-CB 4.24Å |
| 381 | E | 66.6 | Low | 72.5 | Confident | 74 Ų | 74 | 69.6 Ų | 69.6 | 35% | 0.346 | 38% | 0.376 | S | S | . | . | trans | -67.6 | 161.5 | 168.3 | -75.3 | -177.4 | 175.4 | 0 | 0 | 110.5 | G383 G384 A385 R387 I388 | E381-G383 PolarHBondContact O-N 3.11Å; E381-G384 PolarHBondContact O-N 3.39Å; E381-A385 PolarHBondContact N-O 3.29Å; E381-R387 HydrophobicContact CG-CB 4.39Å; E381-I388 HydrophobicContact CG-CD1 4.01Å; E381-I388 HydrophobicContact CG-CG1 4.14Å | ||
| 382 | P | 67.8 | Low | 71.8 | Confident | 150 Ų | 150 | 70.7 Ų | 70.7 | 97% | 0.974 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -6.3 | 177.2 | -25 | 33.8 | 0 | 0 | 0 | 115.9 | ||
| 383 | G | 70 | Confident | 71.2 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 76% | 0.763 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 13.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | E381 A385 | E381-G383 PolarHBondContact O-N 3.11Å; G383-A385 PolarHBondContact O-N 2.82Å |
| 384 | G | 65.8 | Low | 70.8 | Confident | 53 Ų | 53 | 70.7 Ų | 70.7 | 55% | 0.546 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 77.8 | -3.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | E381 P386 | E381-G384 PolarHBondContact O-N 3.39Å; G384-P386 WeakPolarHBondContact O-CD 3.42Å |
| 385 | A | 64.3 | Low | 70.2 | Confident | 44 Ų | 44 | 71.1 Ų | 71.1 | 36% | 0.364 | 38% | 0.383 | S | S | . | . | trans | -73.9 | 122.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E381 G383 R387 | E381-A385 PolarHBondContact N-O 3.29Å; G383-A385 PolarHBondContact O-N 2.82Å; A385-R387 PolarHBondContact O-N 3.07Å | ||
| 386 | P | 60.8 | Low | 69.5 | Low | 86 Ų | 86 | 71 Ų | 71 | 56% | 0.558 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 98.2 | 172.7 | 29.3 | -31.6 | 0 | 0 | 0 | 108.6 | L380 G384 | L380-P386 HydrophobicContact CD2-CB 4.24Å; G384-P386 WeakPolarHBondContact O-CD 3.42Å |
| 387 | R | 61.5 | Low | 69.3 | Low | 192 Ų | 192 | 69.4 Ų | 69.4 | 73% | 0.725 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.9 | -20.1 | -178.2 | -113.7 | -176 | 169.5 | -174.8 | -3 | 115.9 | E381 A385 | E381-R387 HydrophobicContact CG-CB 4.39Å; A385-R387 PolarHBondContact O-N 3.07Å |
| 388 | I | 57.7 | Low | 69.2 | Low | 66 Ų | 66 | 62 Ų | 62 | 34% | 0.338 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 100.5 | -173.8 | -54.2 | 175.6 | 0 | 0 | 0 | 110.2 | I379 E381 R390 | I379-I388 HydrophobicContact CB-CB 4.17Å; I379-I388 PolarHBondContact N-O 2.84Å; I379-I388 PolarHBondContact O-N 3.34Å; E381-I388 HydrophobicContact CG-CD1 4.01Å; E381-I388 HydrophobicContact CG-CG1 4.14Å; I388-R390 HydrophobicContact CG2-CG 3.88Å |
| 389 | H | 66.1 | Low | 69 | Low | 72 Ų | 72 | 62.9 Ų | 62.9 | 33% | 0.333 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 107.1 | 164 | -61.9 | 96.8 | 0 | 0 | 0 | 109.3 | V376 Q378 Y391 | V376-H389 HydrophobicContact CG1-CB 3.91Å; Q378-H389 PolarHBondContact NE2-NE2 3.47Å; H389-Y391 HydrophobicContact CB-CE2 4.02Å |
| 390 | R | 66.2 | Low | 68.9 | Low | 92 Ų | 92 | 63.2 Ų | 63.2 | 35% | 0.347 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 129.7 | 166.8 | -65.8 | -165.8 | -178.7 | -174.2 | 11.2 | 109.1 | R377 I379 I388 F392 E411 | R377-R390 PolarHBondContact N-O 2.87Å; R377-R390 PolarHBondContact O-N 3.22Å; I379-R390 VanDerWaalsContact CD1-CD 3.44Å; I379-R390 HydrophobicContact CD1-CG 3.9Å; I388-R390 HydrophobicContact CG2-CG 3.88Å; R390-F392 HydrophobicContact CB-CD2 4.46Å; R390-F392 HydrophobicContact CB-CE2 3.74Å; R390-F392 HydrophobicContact CB-CZ 4.17Å; R390-E411 WeakPolarHBondContact CD-OE1 3.39Å; R390-E411 IonicContact CZ-OE1 2.69Å; R390-E411 VanDerWaalsContact CZ-OE1 3.23Å; R390-E411 IonicContact NE-OE1 2.95Å; R390-E411 PolarHBondContact NE-OE1 3.3Å; R390-E411 IonicContact NH1-OE1 3.21Å; R390-E411 PolarHBondContact NH1-OE1 2.82Å; R390-E411 IonicContact NH1-OE2 3.96Å |
| 391 | Y | 75.2 | Confident | 68.5 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 8% | 0.078 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 131.3 | 176.4 | -63.6 | -100 | 0 | 0 | 0 | 107.6 | S198 L374 Q375 V376 H389 L412 F414 | S198-Y391 WeakPolarHBondContact O-CD1 3.38Å; S198-Y391 WeakPolarHBondContact O-CE1 3.41Å; L374-Y391 HydrophobicContact CD1-CD1 4.39Å; Q375-Y391 CarbonylContact O-C 3.57Å; Q375-Y391 WeakPolarHBondContact O-CA 3.45Å; V376-Y391 HydrophobicContact CG1-CE1 4.4Å; V376-Y391 HydrophobicContact CG2-CD1 3.66Å; V376-Y391 HydrophobicContact CG2-CE1 3.58Å; H389-Y391 HydrophobicContact CB-CE2 4.02Å; Y391-L412 PolarHBondContact N-O 3.03Å; Y391-L412 PolarHBondContact O-N 2.97Å; Y391-F414 HydrophobicContact CD2-CB 3.81Å; Y391-F414 HydrophobicContact CE2-CB 3.39Å; Y391-F414 HydrophobicContact CE2-CD1 4.5Å; Y391-F414 HydrophobicContact CE2-CG 4.09Å |
| 392 | F | 72.5 | Confident | 68 | Low | 24 Ų | 24 | 61.7 Ų | 61.7 | 11% | 0.105 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 115.6 | 175.5 | -68.8 | -84.6 | 0 | 0 | 0 | 107.7 | Q375 R377 R390 L410 E411 | Q375-F392 HydrophobicContact CB-CB 4.42Å; Q375-F392 PolarHBondContact N-O 3.4Å; Q375-F392 PolarHBondContact O-N 3.31Å; R377-F392 HydrophobicContact CB-CD2 3.99Å; R377-F392 HydrophobicContact CB-CE2 3.63Å; R377-F392 HydrophobicContact CG-CE2 4.43Å; R390-F392 HydrophobicContact CB-CD2 4.46Å; R390-F392 HydrophobicContact CB-CE2 3.74Å; R390-F392 HydrophobicContact CB-CZ 4.17Å; F392-L410 WeakPolarHBondContact CA-O 3.24Å; F392-E411 HydrophobicContact CE1-CB 4.39Å; F392-E411 HydrophobicContact CE1-CG 4.26Å |
| 393 | Q | 75 | Confident | 67.3 | Low | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 122.3 | 168 | -177.2 | -179 | 7.5 | 0 | 0 | 108 | M373 R409 L410 L412 | M373-Q393 WeakPolarHBondContact O-CA 3.33Å; Q393-R409 WeakPolarHBondContact O-CA 3.44Å; Q393-L410 HydrophobicContact CB-CB 4.26Å; Q393-L410 PolarHBondContact N-O 3.45Å; Q393-L410 PolarHBondContact O-N 3.22Å; Q393-L412 HydrophobicContact CB-CD1 3.93Å; Q393-L412 HydrophobicContact CB-CG 4.43Å |
| 394 | Q | 77.4 | Confident | 66.4 | Low | 3 Ų | 3 | 59.1 Ų | 59.1 | 1% | 0.014 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 131.2 | 176 | -62.3 | -179.3 | 3.8 | 0 | 0 | 108.5 | Q352 Y372 M373 L396 R409 | Q352-Q394 VanDerWaalsContact NE2-NE2 3.18Å; Y372-Q394 WeakPolarHBondContact CA-O 3.39Å; M373-Q394 HydrophobicContact CB-CB 4.33Å; M373-Q394 PolarHBondContact N-O 3.25Å; M373-Q394 PolarHBondContact O-N 3.17Å; Q394-L396 HydrophobicContact CB-CD2 4.1Å; Q394-L396 HydrophobicContact CB-CG 4.44Å; Q394-R409 HydrophobicContact CG-CG 4.21Å |
| 395 | I | 76.6 | Confident | 65.6 | Low | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 104.7 | 170.7 | -55.2 | 177 | 0 | 0 | 0 | 105.2 | Y180 L181 Y372 I406 N408 | Y180-I395 HydrophobicContact CD1-CD1 4.22Å; Y180-I395 HydrophobicContact CD2-CD1 4.3Å; Y180-I395 HydrophobicContact CG-CD1 3.67Å; L181-I395 HydrophobicContact CD2-CD1 4.2Å; L181-I395 HydrophobicContact CD2-CG2 4.22Å; L181-I395 HydrophobicContact CG-CD1 4.46Å; Y372-I395 HydrophobicContact CD1-CG1 4.01Å; Y372-I395 HydrophobicContact CE1-CD1 4.39Å; Y372-I395 HydrophobicContact CE1-CG1 3.93Å; Y372-I395 HydrophobicContact CE1-CG2 4.31Å; I395-I406 VanDerWaalsContact O-O 3.07Å; I395-N408 PolarHBondContact N-O 2.8Å |
| 396 | L | 70.1 | Confident | 64.9 | Low | 23 Ų | 23 | 65.3 Ų | 65.3 | 12% | 0.12 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -23.1 | -175.2 | -64.7 | -179.4 | 0 | 0 | 0 | 112.1 | L355 V371 M373 Q394 | L355-L396 HydrophobicContact CD1-CB 4.43Å; L355-L396 HydrophobicContact CD2-CB 3.43Å; L355-L396 VanDerWaalsContact CD2-CB 3.43Å; L355-L396 HydrophobicContact CD2-CD1 3.85Å; L355-L396 HydrophobicContact CD2-CG 4.29Å; L355-L396 HydrophobicContact CG-CB 3.77Å; L355-L396 HydrophobicContact CG-CD1 4.08Å; L355-L396 HydrophobicContact CG-CG 4.46Å; V371-L396 HydrophobicContact CB-CB 4.32Å; V371-L396 HydrophobicContact CG1-CB 4.15Å; V371-L396 HydrophobicContact CG1-CD1 4.3Å; V371-L396 PolarHBondContact O-N 3.47Å; M373-L396 HydrophobicContact CB-CD1 3.72Å; M373-L396 HydrophobicContact CB-CG 4.13Å; M373-L396 HydrophobicContact CE-CD1 3.94Å; M373-L396 HydrophobicContact CG-CD1 4.39Å; Q394-L396 HydrophobicContact CB-CD2 4.1Å; Q394-L396 HydrophobicContact CB-CG 4.44Å |
| 397 | K | 75.2 | Confident | 64.7 | Low | 16 Ų | 16 | 62.5 Ų | 62.5 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 130.7 | 180 | -176 | 179 | -176 | -168.1 | 0 | 109.6 | S365 Q366 A368 N370 V371 L404 | S365-K397 WeakPolarHBondContact O-CD 3.31Å; S365-K397 PolarHBondContact O-NZ 2.82Å; Q366-K397 VanDerWaalsContact C-NZ 3.3Å; Q366-K397 PolarHBondContact O-NZ 3Å; A368-K397 VanDerWaalsContact O-CE 3.3Å; A368-K397 WeakPolarHBondContact O-CE 3.37Å; A368-K397 PolarHBondContact O-NZ 3.09Å; N370-K397 WeakPolarHBondContact CA-O 3.44Å; V371-K397 HydrophobicContact CB-CB 3.94Å; V371-K397 HydrophobicContact CG2-CB 3.92Å; V371-K397 HydrophobicContact CG2-CD 4.17Å; V371-K397 PolarHBondContact N-O 3.18Å; K397-L404 HydrophobicContact CD-CD2 4.47Å; K397-L404 HydrophobicContact CG-CD2 4.11Å |
| 398 | N | 74.8 | Confident | 65 | Low | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 100.8 | 162.7 | 178.5 | -20.9 | 0 | 0 | 0 | 108.2 | Y180 R400 M401 G402 E403 | Y180-N398 PolarHBondContact O-ND2 3.3Å; N398-R400 PolarHBondContact O-N 3.47Å; N398-R400 PolarHBondContact OD1-N 3.42Å; N398-R400 VanDerWaalsContact OD1-N 3.11Å; N398-M401 VanDerWaalsContact ND2-CG 3.34Å; N398-M401 WeakPolarHBondContact ND2-CG 3.33Å; N398-M401 PolarHBondContact OD1-N 2.86Å; N398-M401 VanDerWaalsContact OD1-N 3.12Å; N398-G402 PolarHBondContact O-N 3.18Å; N398-E403 PolarHBondContact N-O 2.89Å; N398-E403 VanDerWaalsContact N-O 3.13Å; N398-E403 PolarHBondContact O-N 3.23Å |
| 399 | R | 68.2 | Low | 65.9 | Low | 152 Ų | 152 | 54 Ų | 54 | 57% | 0.574 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.4 | -174.2 | -167.1 | 175.2 | -167.6 | 172.1 | 4.1 | 113.1 | D369 | D369-R399 HydrophobicContact CB-CB 4.43Å; D369-R399 WeakPolarHBondContact O-CB 3.38Å; D369-R399 PolarHBondContact O-N 2.79Å; D369-R399 WeakPolarHBondContact OD1-CD 2.99Å; D369-R399 IonicContact OD1-NH1 2.72Å |
| 400 | R | 66.4 | Low | 66.7 | Low | 55 Ų | 55 | 50.6 Ų | 50.6 | 21% | 0.208 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -33.3 | -171.4 | -169.3 | 144.4 | 169.2 | 178.6 | 4.1 | 113.7 | Q162 R185 N398 G402 | Q162-R400 PolarHBondContact O-NH2 3.25Å; R185-R400 VanDerWaalsContact NH1-CB 3.3Å; R185-R400 VanDerWaalsContact NH1-CD 3.32Å; N398-R400 PolarHBondContact O-N 3.47Å; N398-R400 PolarHBondContact OD1-N 3.42Å; N398-R400 VanDerWaalsContact OD1-N 3.11Å; R400-G402 PolarHBondContact O-N 2.85Å |
| 401 | M | 61 | Low | 67.6 | Low | 104 Ų | 104 | 47.3 Ų | 47.3 | 51% | 0.512 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -7.1 | 168.4 | -64.2 | -61.5 | -74.5 | 0 | 0 | 112.3 | N398 E403 | N398-M401 VanDerWaalsContact ND2-CG 3.34Å; N398-M401 WeakPolarHBondContact ND2-CG 3.33Å; N398-M401 PolarHBondContact OD1-N 2.86Å; N398-M401 VanDerWaalsContact OD1-N 3.12Å; M401-E403 HydrophobicContact CB-CB 4.21Å; M401-E403 HydrophobicContact CB-CG 3.91Å; M401-E403 PolarHBondContact O-N 3.2Å |
| 402 | G | 54.3 | Low | 68.1 | Low | 58 Ų | 58 | 46.4 Ų | 46.4 | 60% | 0.598 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 13.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N398 R400 L404 | N398-G402 PolarHBondContact O-N 3.18Å; R400-G402 PolarHBondContact O-N 2.85Å; G402-L404 PolarHBondContact O-N 3.23Å |
| 403 | E | 54.6 | Low | 68.7 | Low | 64 Ų | 64 | 52.2 Ų | 52.2 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -92.5 | 86.1 | -175.1 | -72 | -170.9 | 174.8 | 0 | 0 | 109.1 | N398 M401 I406 | N398-E403 PolarHBondContact N-O 2.89Å; N398-E403 VanDerWaalsContact N-O 3.13Å; N398-E403 PolarHBondContact O-N 3.23Å; M401-E403 HydrophobicContact CB-CB 4.21Å; M401-E403 HydrophobicContact CB-CG 3.91Å; M401-E403 PolarHBondContact O-N 3.2Å; E403-I406 HydrophobicContact CB-CD1 4.1Å; E403-I406 HydrophobicContact CB-CG1 3.88Å; E403-I406 HydrophobicContact CG-CD1 3.54Å; E403-I406 HydrophobicContact CG-CG1 3.91Å; E403-I406 VanDerWaalsContact OE1-CD1 3.23Å; E403-I406 WeakPolarHBondContact OE1-CD1 3.25Å; E403-I406 VanDerWaalsContact OE2-CD1 3.27Å; E403-I406 WeakPolarHBondContact OE2-CD1 3.42Å |
| 404 | L | 50.3 | Low | 69.3 | Low | 106 Ų | 106 | 53.6 Ų | 53.6 | 56% | 0.555 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -80.5 | -17 | -178.1 | -85.2 | 159.9 | 0 | 0 | 0 | 114 | K397 G402 | K397-L404 HydrophobicContact CD-CD2 4.47Å; K397-L404 HydrophobicContact CG-CD2 4.11Å; G402-L404 PolarHBondContact O-N 3.23Å |
| 405 | E | 48.6 | Very low | 69.8 | Low | 180 Ų | 180 | 56.5 Ų | 56.5 | 84% | 0.841 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -151.4 | 29.3 | -173.1 | -69.8 | -166 | 150.6 | 0 | 0 | 113.4 | G407 | E405-G407 PolarHBondContact O-N 3.27Š|
| 406 | I | 50 | Low | 70.3 | Confident | 46 Ų | 46 | 62.1 Ų | 62.1 | 24% | 0.236 | 31% | 0.306 | C | S | . | . | trans | -78 | 100.4 | 170.5 | -46.8 | -161 | 0 | 0 | 0 | 107 | I395 E403 N408 S429 | I395-I406 VanDerWaalsContact O-O 3.07Å; E403-I406 HydrophobicContact CB-CD1 4.1Å; E403-I406 HydrophobicContact CB-CG1 3.88Å; E403-I406 HydrophobicContact CG-CD1 3.54Å; E403-I406 HydrophobicContact CG-CG1 3.91Å; E403-I406 VanDerWaalsContact OE1-CD1 3.23Å; E403-I406 WeakPolarHBondContact OE1-CD1 3.25Å; E403-I406 VanDerWaalsContact OE2-CD1 3.27Å; E403-I406 WeakPolarHBondContact OE2-CD1 3.42Å; I406-N408 WeakPolarHBondContact CB-ND2 3.45Å; I406-N408 HydrophobicContact CG2-CB 4.43Å; I406-N408 WeakPolarHBondContact CG2-ND2 3.43Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.4Å; I406-N408 PolarHBondContact O-N 3.25Å; I406-S429 VanDerWaalsContact CG2-OG 3.28Å; I406-S429 WeakPolarHBondContact CG2-OG 3.47Å | ||
| 407 | G | 56.4 | Low | 71.1 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 28% | 0.278 | 33% | 0.33 | S | S | . | . | trans | -61.9 | 49.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E405 R409 | E405-G407 PolarHBondContact O-N 3.27Å; G407-R409 WeakPolarHBondContact O-CG 3.37Å; G407-R409 PolarHBondContact O-N 2.96Å | ||
| 408 | N | 68.4 | Low | 71.8 | Confident | 9 Ų | 9 | 67 Ų | 67 | 5% | 0.048 | 33% | 0.329 | C | S | . | . | trans | -63.9 | 115.1 | 169.4 | -70.3 | -31.9 | 0 | 0 | 0 | 106.6 | Y180 I395 I406 | Y180-N408 HydrophobicContact CD1-CB 3.89Å; Y180-N408 VanDerWaalsContact CD1-ND2 3.28Å; Y180-N408 WeakPolarHBondContact CD1-ND2 3.28Å; Y180-N408 HydrophobicContact CE1-CB 3.61Å; Y180-N408 VanDerWaalsContact CE1-ND2 3.35Å; Y180-N408 WeakPolarHBondContact CE1-ND2 3.38Å; I395-N408 PolarHBondContact N-O 2.8Å; I406-N408 WeakPolarHBondContact CB-ND2 3.45Å; I406-N408 HydrophobicContact CG2-CB 4.43Å; I406-N408 WeakPolarHBondContact CG2-ND2 3.43Å; I406-N408 WeakPolarHBondContact CG2-OD1 3.4Å; I406-N408 PolarHBondContact O-N 3.25Å | ||
| 409 | R | 75.5 | Confident | 72.6 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.1 | 178.5 | -53.8 | -174.7 | 170.8 | 165.1 | -4.2 | 108.1 | Q393 Q394 G407 I427 | Q393-R409 WeakPolarHBondContact O-CA 3.44Å; Q394-R409 HydrophobicContact CG-CG 4.21Å; G407-R409 WeakPolarHBondContact O-CG 3.37Å; G407-R409 PolarHBondContact O-N 2.96Å; R409-I427 HydrophobicContact CB-CB 4.2Å; R409-I427 HydrophobicContact CB-CD1 4.41Å; R409-I427 PolarHBondContact N-O 2.91Å; R409-I427 VanDerWaalsContact N-O 3.16Å; R409-I427 PolarHBondContact O-N 3.44Å |
| 410 | L | 83 | Confident | 73.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.6 | 166.9 | -58.5 | 177.1 | 0 | 0 | 0 | 107.7 | V176 L177 Y180 F392 Q393 I423 Q426 | V176-L410 HydrophobicContact CG1-CD1 4.28Å; V176-L410 HydrophobicContact CG1-CD2 3.7Å; L177-L410 HydrophobicContact CD2-CD1 3.56Å; Y180-L410 HydrophobicContact CD2-CD1 4.49Å; Y180-L410 HydrophobicContact CD2-CD2 4.39Å; Y180-L410 HydrophobicContact CE2-CD2 3.7Å; F392-L410 WeakPolarHBondContact CA-O 3.24Å; Q393-L410 HydrophobicContact CB-CB 4.26Å; Q393-L410 PolarHBondContact N-O 3.45Å; Q393-L410 PolarHBondContact O-N 3.22Å; L410-I423 HydrophobicContact CB-CG2 4.4Å; L410-I423 HydrophobicContact CD1-CD1 4.27Å; L410-I423 HydrophobicContact CD2-CG2 4.2Å; L410-Q426 HydrophobicContact CD2-CB 4.44Å; L410-Q426 HydrophobicContact CD2-CG 3.84Å |
| 411 | E | 85.1 | Confident | 74.6 | Confident | 22 Ų | 22 | 60 Ų | 60 | 10% | 0.103 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 119.3 | 169.6 | -170.3 | 176.4 | 164.3 | 0 | 0 | 108.4 | R390 F392 V424 R425 | R390-E411 WeakPolarHBondContact CD-OE1 3.39Å; R390-E411 IonicContact CZ-OE1 2.69Å; R390-E411 VanDerWaalsContact CZ-OE1 3.23Å; R390-E411 IonicContact NE-OE1 2.95Å; R390-E411 PolarHBondContact NE-OE1 3.3Å; R390-E411 IonicContact NH1-OE1 3.21Å; R390-E411 PolarHBondContact NH1-OE1 2.82Å; R390-E411 IonicContact NH1-OE2 3.96Å; F392-E411 HydrophobicContact CE1-CB 4.39Å; F392-E411 HydrophobicContact CE1-CG 4.26Å; E411-V424 PolarHBondContact O-N 2.76Å; E411-R425 HydrophobicContact CB-CB 3.85Å; E411-R425 PolarHBondContact N-O 3.25Å |
| 412 | L | 86.1 | Confident | 75.7 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.8 | 178.5 | -62.8 | 176 | 0 | 0 | 0 | 109.1 | F203 L374 Y391 Q393 R422 I423 | F203-L412 HydrophobicContact CD2-CD1 3.9Å; F203-L412 HydrophobicContact CE2-CD1 3.71Å; F203-L412 HydrophobicContact CE2-CD2 4.2Å; L374-L412 HydrophobicContact CD1-CD1 3.85Å; Y391-L412 PolarHBondContact N-O 3.03Å; Y391-L412 PolarHBondContact O-N 2.97Å; Q393-L412 HydrophobicContact CB-CD1 3.93Å; Q393-L412 HydrophobicContact CB-CG 4.43Å; L412-R422 CarbonylContact C-O 3.56Å; L412-R422 WeakPolarHBondContact CA-O 3.43Å; L412-I423 HydrophobicContact CD2-CB 4.24Å; L412-I423 HydrophobicContact CD2-CG1 3.39Å |
| 413 | K | 85.5 | Confident | 77 | Confident | 147 Ų | 147 | 62.8 Ų | 62.8 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.5 | 166.3 | -178.1 | 177.4 | -177.4 | -178.7 | 0 | 108.6 | H421 R422 V424 | K413-H421 WeakPolarHBondContact O-CA 3.45Å; K413-R422 PolarHBondContact N-O 2.84Å; K413-R422 PolarHBondContact O-N 3.01Å; K413-V424 HydrophobicContact CB-CG2 3.41Å; K413-V424 VanDerWaalsContact CB-CG2 3.41Å |
| 414 | F | 87.1 | Confident | 78.1 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.2 | 176.4 | -174.4 | -113.3 | 0 | 0 | 0 | 110.6 | T202 Y391 H416 L419 T420 H421 | T202-F414 HydrophobicContact CG2-CE2 3.88Å; T202-F414 HydrophobicContact CG2-CZ 4.33Å; Y391-F414 HydrophobicContact CD2-CB 3.81Å; Y391-F414 HydrophobicContact CE2-CB 3.39Å; Y391-F414 HydrophobicContact CE2-CD1 4.5Å; Y391-F414 HydrophobicContact CE2-CG 4.09Å; F414-H416 AromaticContact CD1-CE1 3.66Å; F414-H416 AromaticContact CD1-CG 3.94Å; F414-H416 AromaticContact CD1-ND1 3.7Å; F414-H416 AromaticContact CD1-NE2 3.86Å; F414-H416 AromaticContact CE1-CE1 3.94Å; F414-H416 AromaticContact CE1-CG 4Å; F414-H416 AromaticContact CE1-ND1 3.58Å; F414-L419 HydrophobicContact CE1-CD2 4.33Å; F414-L419 HydrophobicContact CE2-CB 4.45Å; F414-L419 HydrophobicContact CZ-CB 4.19Å; F414-L419 HydrophobicContact CZ-CD2 3.79Å; F414-T420 CarbonylContact C-O 3.59Å; F414-T420 WeakPolarHBondContact CA-O 3.4Å; F414-T420 WeakPolarHBondContact CD2-O 3.49Å; F414-H421 AromaticContact CD2-CD2 3.75Å; F414-H421 AromaticContact CD2-CE1 3.43Å; F414-H421 VanDerWaalsContact CD2-CE1 3.43Å; F414-H421 WeakPolarHBondContact CD2-CE1 3.45Å; F414-H421 AromaticContact CD2-CG 3.97Å; F414-H421 AromaticContact CD2-ND1 3.77Å; F414-H421 AromaticContact CD2-NE2 3.41Å; F414-H421 WeakPolarHBondContact CD2-NE2 3.19Å; F414-H421 AromaticContact CE2-CE1 3.66Å |
| 415 | N | 88.5 | Confident | 79 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 114.3 | 170.3 | -178.5 | -25 | 0 | 0 | 0 | 108.6 | E417 T418 L419 T420 | N415-E417 VanDerWaalsContact C-N 3.32Å; N415-E417 PolarHBondContact O-N 2.96Å; N415-E417 WeakPolarHBondContact OD1-CB 3.46Å; N415-E417 PolarHBondContact OD1-N 3.31Å; N415-T418 WeakPolarHBondContact CB-OG1 3.5Å; N415-T418 PolarHBondContact ND2-OG1 3.27Å; N415-T418 PolarHBondContact OD1-N 2.95Å; N415-L419 WeakPolarHBondContact O-CA 3.44Å; N415-L419 PolarHBondContact O-N 2.56Å; N415-T420 PolarHBondContact N-O 3.34Å; N415-T420 PolarHBondContact O-N 3.12Å |
| 416 | H | 87.3 | Confident | 79.9 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.8 | -177.2 | -70.4 | -86.2 | 0 | 0 | 0 | 114.3 | F414 L419 | F414-H416 AromaticContact CD1-CE1 3.66Å; F414-H416 AromaticContact CD1-CG 3.94Å; F414-H416 AromaticContact CD1-ND1 3.7Å; F414-H416 AromaticContact CD1-NE2 3.86Å; F414-H416 AromaticContact CE1-CE1 3.94Å; F414-H416 AromaticContact CE1-CG 4Å; F414-H416 AromaticContact CE1-ND1 3.58Å; H416-L419 WeakPolarHBondContact O-CD2 3.17Å |
| 417 | E | 86.8 | Confident | 80.5 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 62% | 0.617 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -41.8 | 180 | -65.1 | 177.6 | 171.7 | 0 | 0 | 111.4 | K245 N415 | K245-E417 WeakPolarHBondContact CA-O 3.42Å; K245-E417 WeakPolarHBondContact CB-O 3.47Å; N415-E417 VanDerWaalsContact C-N 3.32Å; N415-E417 PolarHBondContact O-N 2.96Å; N415-E417 WeakPolarHBondContact OD1-CB 3.46Å; N415-E417 PolarHBondContact OD1-N 3.31Å |
| 418 | T | 90.7 | Very high | 80.5 | Confident | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -4.7 | -176.6 | 61.8 | 0 | 0 | 0 | 0 | 113 | Q239 C243 N415 T420 | Q239-T418 CarbonylContact C-O 3.45Å; C243-T418 WeakPolarHBondContact O-CG2 3.48Å; N415-T418 WeakPolarHBondContact CB-OG1 3.5Å; N415-T418 PolarHBondContact ND2-OG1 3.27Å; N415-T418 PolarHBondContact OD1-N 2.95Å; T418-T420 PolarHBondContact O-N 3.28Å; T418-T420 PolarHBondContact OG1-OG1 2.69Å |
| 419 | L | 91 | Very high | 79.7 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 18% | 0.178 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 33.2 | -173.2 | -53.5 | -176.3 | 0 | 0 | 0 | 113.4 | T202 V236 Q240 F414 N415 H416 | T202-L419 HydrophobicContact CG2-CB 4.17Å; T202-L419 VanDerWaalsContact CG2-O 3.27Å; T202-L419 WeakPolarHBondContact CG2-O 3.5Å; V236-L419 HydrophobicContact CB-CD1 4.32Å; V236-L419 HydrophobicContact CG1-CB 4.4Å; V236-L419 HydrophobicContact CG1-CD1 4.12Å; V236-L419 HydrophobicContact CG2-CD1 3.81Å; Q240-L419 HydrophobicContact CG-CB 4.45Å; Q240-L419 WeakPolarHBondContact CG-O 3.41Å; Q240-L419 PolarHBondContact NE2-O 3.03Å; F414-L419 HydrophobicContact CE1-CD2 4.33Å; F414-L419 HydrophobicContact CE2-CB 4.45Å; F414-L419 HydrophobicContact CZ-CB 4.19Å; F414-L419 HydrophobicContact CZ-CD2 3.79Å; N415-L419 WeakPolarHBondContact O-CA 3.44Å; N415-L419 PolarHBondContact O-N 2.56Å; H416-L419 WeakPolarHBondContact O-CD2 3.17Å |
| 420 | T | 89.5 | Confident | 78.4 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 10% | 0.104 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 150.8 | -177.7 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | L206 Q240 F414 N415 T418 | L206-T420 HydrophobicContact CD1-CG2 4.25Å; Q240-T420 HydrophobicContact CB-CG2 4.15Å; Q240-T420 HydrophobicContact CG-CG2 4Å; F414-T420 CarbonylContact C-O 3.59Å; F414-T420 WeakPolarHBondContact CA-O 3.4Å; F414-T420 WeakPolarHBondContact CD2-O 3.49Å; N415-T420 PolarHBondContact N-O 3.34Å; N415-T420 PolarHBondContact O-N 3.12Å; T418-T420 PolarHBondContact O-N 3.28Å; T418-T420 PolarHBondContact OG1-OG1 2.69Å |
| 421 | H | 86.9 | Confident | 76 | Confident | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 138.6 | 168.2 | -66.3 | 86.1 | 0 | 0 | 0 | 109.4 | F203 L206 K413 F414 | F203-H421 HydrophobicContact CD2-CB 4.02Å; F203-H421 AromaticContact CD2-CG 3.93Å; F203-H421 HydrophobicContact CE2-CB 4.42Å; L206-H421 HydrophobicContact CD2-CB 4.18Å; L206-H421 VanDerWaalsContact CD2-N 3.33Å; L206-H421 WeakPolarHBondContact CD2-O 3.3Å; K413-H421 WeakPolarHBondContact O-CA 3.45Å; F414-H421 AromaticContact CD2-CD2 3.75Å; F414-H421 AromaticContact CD2-CE1 3.43Å; F414-H421 VanDerWaalsContact CD2-CE1 3.43Å; F414-H421 WeakPolarHBondContact CD2-CE1 3.45Å; F414-H421 AromaticContact CD2-CG 3.97Å; F414-H421 AromaticContact CD2-ND1 3.77Å; F414-H421 AromaticContact CD2-NE2 3.41Å; F414-H421 WeakPolarHBondContact CD2-NE2 3.19Å; F414-H421 AromaticContact CE2-CE1 3.66Å |
| 422 | R | 84.3 | Confident | 73.8 | Confident | 191 Ų | 191 | 71.8 Ų | 71.8 | 72% | 0.721 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 133.4 | 168.9 | -177.4 | 176 | 177.6 | 167.2 | 1.4 | 109.4 | L412 K413 V424 | L412-R422 CarbonylContact C-O 3.56Å; L412-R422 WeakPolarHBondContact CA-O 3.43Å; K413-R422 PolarHBondContact N-O 2.84Å; K413-R422 PolarHBondContact O-N 3.01Å; R422-V424 PolarHBondContact O-N 3.14Å |
| 423 | I | 80.6 | Confident | 71.5 | Confident | 30 Ų | 30 | 80.3 Ų | 80.3 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 119.5 | 170.9 | -59.7 | 165.8 | 0 | 0 | 0 | 108 | L174 V176 L177 L410 L412 | L174-I423 HydrophobicContact CD2-CD1 4.04Å; L174-I423 HydrophobicContact CD2-CG1 4.33Å; V176-I423 HydrophobicContact CB-CD1 3.77Å; V176-I423 HydrophobicContact CG1-CD1 4.19Å; V176-I423 HydrophobicContact CG1-CG2 4.29Å; V176-I423 HydrophobicContact CG2-CD1 4.35Å; V176-I423 HydrophobicContact CG2-CG2 4.39Å; L177-I423 HydrophobicContact CG-CD1 4.38Å; L410-I423 HydrophobicContact CB-CG2 4.4Å; L410-I423 HydrophobicContact CD1-CD1 4.27Å; L410-I423 HydrophobicContact CD2-CG2 4.2Å; L412-I423 HydrophobicContact CD2-CB 4.24Å; L412-I423 HydrophobicContact CD2-CG1 3.39Å |
| 424 | V | 78.3 | Confident | 69 | Low | 83 Ų | 83 | 81.6 Ų | 81.6 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -33.2 | -175.1 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | E411 K413 R422 | E411-V424 PolarHBondContact O-N 2.76Å; K413-V424 HydrophobicContact CB-CG2 3.41Å; K413-V424 VanDerWaalsContact CB-CG2 3.41Å; R422-V424 PolarHBondContact O-N 3.14Å |
| 425 | R | 70.4 | Confident | 66.7 | Low | 122 Ų | 122 | 84.6 Ų | 84.6 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.4 | -179 | -168.5 | 178.7 | 178.8 | 173.5 | 1.5 | 111.2 | E411 I427 | E411-R425 HydrophobicContact CB-CB 3.85Å; E411-R425 PolarHBondContact N-O 3.25Å; R425-I427 HydrophobicContact CG-CG1 4.13Å |
| 426 | Q | 66.4 | Low | 64.1 | Low | 95 Ų | 95 | 85 Ų | 85 | 44% | 0.444 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 120.9 | 165.8 | -67.3 | 167.2 | -4.1 | 0 | 0 | 107.6 | V176 L410 | V176-Q426 HydrophobicContact CG1-CG 3.82Å; L410-Q426 HydrophobicContact CD2-CB 4.44Å; L410-Q426 HydrophobicContact CD2-CG 3.84Å |
| 427 | I | 62.5 | Low | 61.6 | Low | 28 Ų | 28 | 82.4 Ų | 82.4 | 14% | 0.144 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 95.4 | 171.2 | -52.5 | 175 | 0 | 0 | 0 | 106.2 | R409 R425 F431 I432 | R409-I427 HydrophobicContact CB-CB 4.2Å; R409-I427 HydrophobicContact CB-CD1 4.41Å; R409-I427 PolarHBondContact N-O 2.91Å; R409-I427 VanDerWaalsContact N-O 3.16Å; R409-I427 PolarHBondContact O-N 3.44Å; R425-I427 HydrophobicContact CG-CG1 4.13Å; I427-F431 HydrophobicContact CG2-CB 4.29Å; I427-I432 HydrophobicContact CG2-CG1 4.41Å |
| 428 | D | 56.1 | Low | 59.2 | Low | 78 Ų | 78 | 81.7 Ų | 81.7 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | trans | -71 | 146.2 | 170.1 | -69.1 | -22.9 | 0 | 0 | 0 | 110 | Y180 A430 F431 | Y180-D428 PolarHBondContact OH-OD1 3.46Å; D428-A430 PolarHBondContact O-N 3.5Å; D428-F431 VanDerWaalsContact O-CB 3.31Å; D428-F431 WeakPolarHBondContact O-CB 3.28Å; D428-F431 PolarHBondContact O-N 3.39Å | ||
| 429 | S | 51.5 | Low | 56.8 | Low | 47 Ų | 47 | 91.1 Ų | 91.1 | 33% | 0.329 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -54.6 | -25 | -180 | 58 | 0 | 0 | 0 | 0 | 114.3 | I406 F431 I432 K433 | I406-S429 VanDerWaalsContact CG2-OG 3.28Å; I406-S429 WeakPolarHBondContact CG2-OG 3.47Å; S429-F431 PolarHBondContact O-N 2.95Å; S429-F431 VanDerWaalsContact O-N 3.16Å; S429-I432 PolarHBondContact O-N 3.27Å; S429-K433 PolarHBondContact O-N 2.88Å |
| 430 | A | 48.6 | Very low | 54.1 | Low | 71 Ų | 71 | 98.5 Ų | 98.5 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -57.3 | -27.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D428 | D428-A430 PolarHBondContact O-N 3.5Å |
| 431 | F | 33.9 | Very low | 52.3 | Low | 130 Ų | 130 | 102.6 Ų | 102.6 | 57% | 0.57 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.7 | -28.3 | 176.1 | -133.1 | -89.3 | 0 | 0 | 0 | 112.8 | I427 D428 S429 K434 S435 | I427-F431 HydrophobicContact CG2-CB 4.29Å; D428-F431 VanDerWaalsContact O-CB 3.31Å; D428-F431 WeakPolarHBondContact O-CB 3.28Å; D428-F431 PolarHBondContact O-N 3.39Å; S429-F431 PolarHBondContact O-N 2.95Å; S429-F431 VanDerWaalsContact O-N 3.16Å; F431-K434 PolarHBondContact O-N 3.36Å; F431-S435 PolarHBondContact O-N 2.9Å; F431-S435 PolarHBondContact O-OG 2.98Å |
| 432 | I | 37.6 | Very low | 50.5 | Low | 62 Ų | 62 | 107.6 Ų | 107.6 | 32% | 0.318 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -76.2 | -36 | 179.9 | -58.7 | 176.7 | 0 | 0 | 0 | 110.7 | I427 S429 K434 S435 A436 | I427-I432 HydrophobicContact CG2-CG1 4.41Å; S429-I432 PolarHBondContact O-N 3.27Å; I432-K434 VanDerWaalsContact C-N 3.26Å; I432-K434 PolarHBondContact O-N 3.19Å; I432-S435 PolarHBondContact O-N 3.1Å; I432-S435 PolarHBondContact O-OG 3.4Å; I432-A436 WeakPolarHBondContact O-CB 3.45Å; I432-A436 PolarHBondContact O-N 3.22Å; I432-A436 VanDerWaalsContact O-N 3.09Å |
| 433 | K | 37.4 | Very low | 48.6 | Very low | 180 Ų | 180 | 102.9 Ų | 102.9 | 78% | 0.783 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.4 | -28.9 | 173.6 | -76.1 | -172.6 | 177.9 | 179.5 | 0 | 113.1 | S429 | S429-K433 PolarHBondContact O-N 2.88Å |
| 434 | K | 34.1 | Very low | 46.7 | Very low | 174 Ų | 174 | 107.2 Ų | 107.2 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -82 | -25.1 | 176.4 | -79.3 | -173.4 | 176.6 | -179.6 | 0 | 114.2 | F431 I432 S437 | F431-K434 PolarHBondContact O-N 3.36Å; I432-K434 VanDerWaalsContact C-N 3.26Å; I432-K434 PolarHBondContact O-N 3.19Å; K434-S437 PolarHBondContact O-OG 2.95Å |
| 435 | S | 37.9 | Very low | 44.7 | Very low | 93 Ų | 93 | 108.8 Ų | 108.8 | 65% | 0.65 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -89.6 | -17.2 | 176.6 | 59.8 | 0 | 0 | 0 | 0 | 113.5 | F431 I432 | F431-S435 PolarHBondContact O-N 2.9Å; F431-S435 PolarHBondContact O-OG 2.98Å; I432-S435 PolarHBondContact O-N 3.1Å; I432-S435 PolarHBondContact O-OG 3.4Å |
| 436 | A | 34.8 | Very low | 43 | Very low | 73 Ų | 73 | 107.9 Ų | 107.9 | 60% | 0.603 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -92.4 | -2.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | I432 P438 | I432-A436 WeakPolarHBondContact O-CB 3.45Å; I432-A436 PolarHBondContact O-N 3.22Å; I432-A436 VanDerWaalsContact O-N 3.09Å; A436-P438 VanDerWaalsContact O-CD 3.32Å; A436-P438 WeakPolarHBondContact O-CD 3.37Å |
| 437 | S | 33.7 | Very low | 41.4 | Very low | 73 Ų | 73 | 108.8 Ų | 108.8 | 51% | 0.51 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -76.3 | 114.3 | 166.9 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | K434 K439 | K434-S437 PolarHBondContact O-OG 2.95Å; S437-K439 PolarHBondContact O-N 2.82Å |
| 438 | P | 37.9 | Very low | 39.7 | Very low | 117 Ų | 117 | 115 Ų | 115 | 76% | 0.76 | 66% | 0.655 | S | S | * | * | trans | -60.3 | 132.8 | 170.7 | 4.7 | 6 | 0 | 0 | 0 | 107.2 | A436 S440 | A436-P438 VanDerWaalsContact O-CD 3.32Å; A436-P438 WeakPolarHBondContact O-CD 3.37Å; P438-S440 PolarHBondContact O-N 2.54Å | ||
| 439 | K | 38.7 | Very low | 38.4 | Very low | 208 Ų | 208 | 118.1 Ų | 118.1 | 90% | 0.904 | 67% | 0.674 | S | S | * | * | trans | -54.7 | 117.7 | 165.8 | -74.6 | -178.5 | 174.5 | -178.6 | 0 | 106.7 | S437 | S437-K439 PolarHBondContact O-N 2.82Š| ||
| 440 | S | 34.7 | Very low | 37.2 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 100% | 1.322 | 71% | 0.706 | S | S | * | * | trans | -52.8 | 0 | 169.6 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | P438 | P438-S440 PolarHBondContact O-N 2.54Š|
Retrieved 440 of 440 residues in 234.7 ms
(Link to these results)