| 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 | 84.5 | Confident | 89.7 | Confident | 77 Ų | 77 | 37.1 Ų | 37.1 | 38% | 0.379 | 18% | 0.184 | S | C | . | . | 0 | 153.4 | 0 | 69.1 | -179.8 | 179.3 | 0 | 0 | 111.4 | V85 D86 D89 E136 | M1-V85 WeakPolarHBondContact O-CA 3.44Å; M1-D86 WeakPolarHBondContact CG-OD2 3.09Å; M1-D86 PolarHBondContact N-OD2 3.36Å; M1-D86 PolarHBondContact O-N 3.49Å; M1-D89 PolarHBondContact N-OD2 3.08Å; M1-E136 VanDerWaalsContact CA-OE1 3.22Å; M1-E136 WeakPolarHBondContact CA-OE1 3.48Å; M1-E136 WeakPolarHBondContact CB-OE1 3.36Å | |||
| 2 | I | 88.7 | Confident | 89.1 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 126.1 | 171 | -52.6 | 165.2 | 0 | 0 | 0 | 109.4 | I5 Y20 I83 C84 V85 Y94 F132 G135 | I2-I5 HydrophobicContact CG2-CG1 3.93Å; I2-Y20 HydrophobicContact CB-CD2 4.15Å; I2-Y20 HydrophobicContact CB-CE2 4.41Å; I2-Y20 HydrophobicContact CG2-CD2 3.75Å; I2-Y20 HydrophobicContact CG2-CE2 3.89Å; I2-Y20 WeakPolarHBondContact O-CB 3.17Å; I2-I83 HydrophobicContact CB-CG2 4.37Å; I2-I83 HydrophobicContact CD1-CG2 4.38Å; I2-I83 HydrophobicContact CG1-CG2 3.99Å; I2-I83 HydrophobicContact CG2-CG2 3.58Å; I2-C84 CarbonylContact C-O 3.58Å; I2-C84 WeakPolarHBondContact CA-O 3.26Å; I2-V85 HydrophobicContact CB-CG1 4.5Å; I2-V85 HydrophobicContact CG1-CG1 4.05Å; I2-Y94 HydrophobicContact CD1-CD1 4.31Å; I2-Y94 HydrophobicContact CD1-CE1 3.73Å; I2-Y94 HydrophobicContact CG1-CD1 4.13Å; I2-Y94 HydrophobicContact CG1-CE1 3.4Å; I2-Y94 VanDerWaalsContact CG1-CE1 3.4Å; I2-F132 HydrophobicContact CD1-CD1 3.68Å; I2-F132 HydrophobicContact CD1-CE1 4.26Å; I2-F132 HydrophobicContact CD1-CG 4.5Å; I2-G135 VanDerWaalsContact CB-O 3.3Å; I2-G135 WeakPolarHBondContact CB-O 3Å; I2-G135 WeakPolarHBondContact CG1-O 3.37Å; I2-G135 PolarHBondContact N-O 3.44Å; I2-G135 WeakPolarHBondContact O-CA 3.26Å |
| 3 | R | 88.6 | Confident | 89.2 | Confident | 37 Ų | 37 | 43.1 Ų | 43.1 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -46.9 | 175.6 | -58.9 | -62.8 | -179.7 | 158.1 | -6.8 | 111.4 | Y20 M21 F69 C84 D86 | R3-Y20 PolarHBondContact O-N 3.32Å; R3-M21 PolarHBondContact NH1-SD 3.44Å; R3-M21 PolarHBondContact O-N 3.05Å; R3-F69 HydrophobicContact CG-CD1 4.22Å; R3-F69 HydrophobicContact CG-CE1 4.27Å; R3-C84 HydrophobicContact CB-CB 4.43Å; R3-C84 PolarHBondContact N-O 2.68Å; R3-D86 IonicContact CZ-OD1 3.22Å; R3-D86 VanDerWaalsContact CZ-OD1 3.22Å; R3-D86 IonicContact NE-OD1 3.92Å; R3-D86 PolarHBondContact NE-OD1 2.99Å; R3-D86 IonicContact NE-OD2 2.84Å; R3-D86 IonicContact NH2-OD1 2.72Å; R3-D86 PolarHBondContact NH2-OD1 3.22Å; R3-D86 IonicContact NH2-OD2 3.52Å |
| 4 | F | 91.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 43.6 Ų | 43.6 | 2% | 0.022 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 158.2 | 177.6 | 60.6 | -101.3 | 0 | 0 | 0 | 111.9 | L6 K18 W19 F23 L31 V35 C84 | F4-L6 HydrophobicContact CD2-CD1 3.88Å; F4-L6 HydrophobicContact CD2-CG 3.77Å; F4-L6 HydrophobicContact CE2-CD1 3.6Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; F4-K18 CarbonylContact C-O 3.57Å; F4-K18 WeakPolarHBondContact CA-O 3.39Å; F4-K18 WeakPolarHBondContact CB-O 3.34Å; F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.44Å; F4-W19 VanDerWaalsContact CB-CE3 3.44Å; F4-W19 HydrophobicContact CB-CZ3 3.77Å; F4-W19 AromaticContact CD1-CE3 3.92Å; F4-W19 HydrophobicContact CD1-CE3 3.92Å; F4-W19 HydrophobicContact CD1-CH2 4.46Å; F4-W19 AromaticContact CD1-CZ3 3.49Å; F4-W19 HydrophobicContact CD1-CZ3 3.49Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.49Å; F4-W19 HydrophobicContact CD2-CZ3 4.35Å; F4-W19 HydrophobicContact CE1-CZ3 4.11Å; F4-W19 AromaticContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CH2 4.39Å; F4-W19 AromaticContact CG-CZ3 3.62Å; F4-W19 HydrophobicContact CG-CZ3 3.62Å; F4-F23 HydrophobicContact CD1-CE2 4.35Å; F4-L31 HydrophobicContact CE1-CD1 4.29Å; F4-V35 HydrophobicContact CE2-CG2 4.22Å; F4-V35 HydrophobicContact CZ-CG2 4.16Å; F4-C84 HydrophobicContact CD1-CB 3.75Å; F4-C84 HydrophobicContact CD2-CB 3.77Å; F4-C84 HydrophobicContact CE1-CB 3.43Å; F4-C84 VanDerWaalsContact CE1-CB 3.43Å; F4-C84 VanDerWaalsContact CE1-SG 3.58Å; F4-C84 HydrophobicContact CE2-CB 3.45Å; F4-C84 VanDerWaalsContact CE2-CB 3.45Å; F4-C84 HydrophobicContact CG-CB 3.93Å; F4-C84 HydrophobicContact CZ-CB 3.29Å; F4-C84 PolarHBondContact O-N 2.95Å |
| 5 | I | 93.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.036 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 129.3 | 171.8 | -59 | 172.3 | 0 | 0 | 0 | 107.7 | I2 L16 A17 K18 Y20 C82 I83 V128 F132 | I2-I5 HydrophobicContact CG2-CG1 3.93Å; I5-L16 HydrophobicContact CG2-CD2 4.25Å; I5-A17 WeakPolarHBondContact O-CA 3.25Å; I5-K18 HydrophobicContact CB-CB 4.4Å; I5-K18 PolarHBondContact N-O 3.41Å; I5-K18 PolarHBondContact O-N 2.91Å; I5-Y20 HydrophobicContact CD1-CE2 3.72Å; I5-Y20 HydrophobicContact CG1-CE2 3.94Å; I5-C82 WeakPolarHBondContact CA-O 3.47Å; I5-I83 HydrophobicContact CG1-CG1 4.25Å; I5-I83 HydrophobicContact CG1-CG2 4.38Å; I5-I83 HydrophobicContact CG2-CG1 4.46Å; I5-V128 HydrophobicContact CD1-CG1 4.3Å; I5-F132 HydrophobicContact CD1-CB 4.14Å; I5-F132 HydrophobicContact CD1-CD1 4.36Å; I5-F132 HydrophobicContact CD1-CD2 3.85Å; I5-F132 HydrophobicContact CD1-CE2 4.33Å; I5-F132 HydrophobicContact CD1-CG 3.86Å |
| 6 | L | 92.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.1 | 176.6 | -71.7 | 174.3 | 0 | 0 | 0 | 110.4 | F4 T14 L16 A17 W19 I32 V35 C82 | F4-L6 HydrophobicContact CD2-CD1 3.88Å; F4-L6 HydrophobicContact CD2-CG 3.77Å; F4-L6 HydrophobicContact CE2-CD1 3.6Å; F4-L6 HydrophobicContact CE2-CG 4.01Å; L6-T14 HydrophobicContact CD2-CG2 4.16Å; L6-L16 WeakPolarHBondContact CA-O 3.44Å; L6-A17 HydrophobicContact CD2-CB 3.51Å; L6-W19 HydrophobicContact CD2-CZ2 4.43Å; L6-I32 HydrophobicContact CD1-CG1 4.16Å; L6-I32 HydrophobicContact CD2-CG1 3.96Å; L6-V35 HydrophobicContact CD1-CB 4.24Å; L6-V35 HydrophobicContact CD1-CG1 4.21Å; L6-V35 HydrophobicContact CD1-CG2 4.18Å; L6-C82 HydrophobicContact CB-CB 4.29Å; L6-C82 PolarHBondContact N-O 3.22Å; L6-C82 PolarHBondContact O-N 3.15Å |
| 7 | I | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.9 | 166.4 | -54 | 175.7 | 0 | 0 | 0 | 107.2 | T14 R15 L16 L79 Y80 F81 F101 L117 | I7-T14 CarbonylContact O-C 3.6Å; I7-T14 WeakPolarHBondContact O-CA 3.4Å; I7-R15 HydrophobicContact CB-CB 4.35Å; I7-R15 HydrophobicContact CG2-CB 4.14Å; I7-R15 PolarHBondContact O-N 3.48Å; I7-L16 HydrophobicContact CB-CB 4.02Å; I7-L16 HydrophobicContact CD1-CB 3.75Å; I7-L16 HydrophobicContact CD1-CD1 4.33Å; I7-L16 HydrophobicContact CD1-CD2 4.3Å; I7-L16 HydrophobicContact CD1-CG 4.36Å; I7-L16 HydrophobicContact CG1-CB 3.94Å; I7-L16 HydrophobicContact CG1-CD2 4.35Å; I7-L16 PolarHBondContact N-O 2.93Å; I7-L16 PolarHBondContact O-N 3.19Å; I7-L79 HydrophobicContact CG2-CB 4.47Å; I7-L79 HydrophobicContact CG2-CD1 4.47Å; I7-L79 HydrophobicContact CG2-CD2 4.44Å; I7-Y80 CarbonylContact C-O 3.51Å; I7-Y80 WeakPolarHBondContact CA-O 3.45Å; I7-F81 HydrophobicContact CD1-CD1 3.83Å; I7-F81 HydrophobicContact CD1-CE1 3.57Å; I7-F81 HydrophobicContact CD1-CZ 4.42Å; I7-F81 HydrophobicContact CG1-CD1 3.8Å; I7-F81 HydrophobicContact CG1-CE1 4Å; I7-F81 HydrophobicContact CG1-CG 4.48Å; I7-F81 HydrophobicContact CG2-CD1 4.42Å; I7-F81 HydrophobicContact CG2-CE1 4.24Å; I7-F81 HydrophobicContact CG2-CE2 4.47Å; I7-F81 HydrophobicContact CG2-CZ 4.25Å; I7-F101 HydrophobicContact CD1-CE1 3.98Å; I7-F101 HydrophobicContact CD1-CZ 4.43Å; I7-L117 HydrophobicContact CD1-CD2 4.47Å |
| 8 | Q | 90.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.7 | -178.4 | -68.6 | 179.2 | -20.7 | 0 | 0 | 111 | K13 I32 L79 Y80 | Q8-K13 WeakPolarHBondContact CA-O 3.43Å; Q8-I32 PolarHBondContact NE2-O 3.19Å; Q8-L79 CarbonylContact O-C 3.57Å; Q8-L79 WeakPolarHBondContact O-CA 3.28Å; Q8-Y80 PolarHBondContact N-O 3.45Å; Q8-Y80 PolarHBondContact O-N 2.99Å |
| 9 | N | 90.6 | Very high | 90.4 | Very high | 29 Ų | 29 | 42.6 Ų | 42.6 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 164 | 167.1 | -169 | -7.4 | 0 | 0 | 0 | 110.3 | A11 G12 K13 H36 G78 L79 E114 | N9-A11 PolarHBondContact O-N 3.41Å; N9-A11 VanDerWaalsContact O-N 3.08Å; N9-G12 PolarHBondContact O-N 3.32Å; N9-K13 PolarHBondContact N-O 3.49Å; N9-H36 PolarHBondContact O-CE1 2.79Å; N9-G78 PolarHBondContact OD1-O 3.07Å; N9-L79 HydrophobicContact CB-CD2 4.01Å; N9-E114 PolarHBondContact ND2-OE1 2.84Å; N9-E114 PolarHBondContact ND2-OE2 2.95Å |
| 10 | R | 86.5 | Confident | 90.4 | Very high | 177 Ų | 177 | 43.1 Ų | 43.1 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -26.3 | 168.9 | -167.4 | 178.3 | -175.9 | -175.1 | 1.7 | 114.8 | G12 H36 G78 Y80 | R10-G12 VanDerWaalsContact C-N 3.32Å; R10-H36 PolarHBondContact O-CE1 2.71Å; R10-G78 PolarHBondContact N-O 2.89Å; R10-G78 VanDerWaalsContact N-O 3.12Å; R10-Y80 HydrophobicContact CB-CE2 4.29Å |
| 11 | A | 86.1 | Confident | 90.3 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 114.5 | N9 K13 | N9-A11 PolarHBondContact O-N 3.41Å; N9-A11 VanDerWaalsContact O-N 3.08Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.27Å |
| 12 | G | 82.3 | Confident | 90.2 | Very high | 24 Ų | 24 | 49.8 Ų | 49.8 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 84.7 | 1.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | N9 R10 T14 H36 | N9-G12 PolarHBondContact O-N 3.32Å; R10-G12 VanDerWaalsContact C-N 3.32Å; G12-T14 PolarHBondContact O-N 3.35Å; G12-H36 WeakPolarHBondContact CA-CE1 3.17Å; G12-H36 WeakPolarHBondContact CA-ND1 3.4Å; G12-H36 VanDerWaalsContact CA-NE2 3.3Å; G12-H36 WeakPolarHBondContact CA-NE2 3.47Å; G12-H36 PolarHBondContact N-CE1 3.35Å; G12-H36 PolarHBondContact N-NE2 2.92Å |
| 13 | K | 90.4 | Very high | 89.9 | Confident | 128 Ų | 128 | 50.4 Ų | 50.4 | 56% | 0.557 | 25% | 0.245 | S | C | * | . | trans | -73.1 | 117.2 | 174.6 | -64.6 | -173.7 | 179.8 | -178.1 | 0 | 110.1 | Q8 N9 A11 | Q8-K13 WeakPolarHBondContact CA-O 3.43Å; N9-K13 PolarHBondContact N-O 3.49Å; A11-K13 VanDerWaalsContact C-N 3.31Å; A11-K13 PolarHBondContact O-N 3.27Å | ||
| 14 | T | 92.4 | Very high | 89.8 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 31% | 0.307 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 124.4 | 172.5 | -53.7 | 0 | 0 | 0 | 0 | 110 | L6 I7 G12 L16 A17 I32 | L6-T14 HydrophobicContact CD2-CG2 4.16Å; I7-T14 CarbonylContact O-C 3.6Å; I7-T14 WeakPolarHBondContact O-CA 3.4Å; G12-T14 PolarHBondContact O-N 3.35Å; T14-L16 WeakPolarHBondContact CG2-O 3.43Å; T14-A17 HydrophobicContact CG2-CB 3.97Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.47Å |
| 15 | R | 92.9 | Very high | 89.6 | Confident | 69 Ų | 69 | 59.7 Ų | 59.7 | 26% | 0.26 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -32.6 | 177.1 | -59 | -49.6 | -173.6 | -171.6 | 5.7 | 112.3 | I7 L79 E114 | I7-R15 HydrophobicContact CB-CB 4.35Å; I7-R15 HydrophobicContact CG2-CB 4.14Å; I7-R15 PolarHBondContact O-N 3.48Å; R15-L79 HydrophobicContact CG-CD2 4.09Å; R15-E114 IonicContact CZ-OE1 3.2Å; R15-E114 IonicContact NE-OE1 3.76Å; R15-E114 PolarHBondContact NE-OE1 3.02Å; R15-E114 IonicContact NH2-OE1 2.75Å; R15-E114 PolarHBondContact NH2-OE1 2.93Å |
| 16 | L | 93.9 | Very high | 89.3 | Confident | 3 Ų | 3 | 66.1 Ų | 66.1 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 138.7 | 174.9 | -177.5 | 142.6 | 0 | 0 | 0 | 109.2 | I5 L6 I7 T14 K18 V124 Y125 V128 | I5-L16 HydrophobicContact CG2-CD2 4.25Å; L6-L16 WeakPolarHBondContact CA-O 3.44Å; I7-L16 HydrophobicContact CB-CB 4.02Å; I7-L16 HydrophobicContact CD1-CB 3.75Å; I7-L16 HydrophobicContact CD1-CD1 4.33Å; I7-L16 HydrophobicContact CD1-CD2 4.3Å; I7-L16 HydrophobicContact CD1-CG 4.36Å; I7-L16 HydrophobicContact CG1-CB 3.94Å; I7-L16 HydrophobicContact CG1-CD2 4.35Å; I7-L16 PolarHBondContact N-O 2.93Å; I7-L16 PolarHBondContact O-N 3.19Å; T14-L16 WeakPolarHBondContact CG2-O 3.43Å; L16-K18 HydrophobicContact CD2-CB 4.27Å; L16-V124 HydrophobicContact CD1-CB 4.22Å; L16-V124 HydrophobicContact CD1-CG1 3.45Å; L16-V124 VanDerWaalsContact CD1-CG1 3.45Å; L16-Y125 HydrophobicContact CD1-CD1 4.36Å; L16-Y125 HydrophobicContact CD1-CE1 4.3Å; L16-Y125 HydrophobicContact CD1-CE2 4.49Å; L16-Y125 HydrophobicContact CD1-CG 4.48Å; L16-Y125 HydrophobicContact CG-CE1 4.07Å; L16-V128 HydrophobicContact CD1-CG2 3.8Å; L16-V128 HydrophobicContact CD2-CG2 4.37Å |
| 17 | A | 93.9 | Very high | 88.9 | Confident | 23 Ų | 23 | 68.3 Ų | 68.3 | 19% | 0.19 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 109.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | I5 L6 T14 Y125 | I5-A17 WeakPolarHBondContact O-CA 3.25Å; L6-A17 HydrophobicContact CD2-CB 3.51Å; T14-A17 HydrophobicContact CG2-CB 3.97Å; A17-Y125 PolarHBondContact N-OH 2.73Å; A17-Y125 PolarHBondContact O-OH 3.43Å |
| 18 | K | 93.8 | Very high | 88.6 | Confident | 49 Ų | 49 | 70.8 Ų | 70.8 | 21% | 0.213 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 122.1 | 174.1 | -168.1 | 80.7 | -176.5 | -159.3 | 0 | 108.8 | F4 I5 L16 Y20 Y125 V128 D129 | F4-K18 CarbonylContact C-O 3.57Å; F4-K18 WeakPolarHBondContact CA-O 3.39Å; F4-K18 WeakPolarHBondContact CB-O 3.34Å; I5-K18 HydrophobicContact CB-CB 4.4Å; I5-K18 PolarHBondContact N-O 3.41Å; I5-K18 PolarHBondContact O-N 2.91Å; L16-K18 HydrophobicContact CD2-CB 4.27Å; K18-Y20 HydrophobicContact CG-CE1 4.1Å; K18-Y20 HydrophobicContact CG-CE2 4.17Å; K18-Y125 HydrophobicContact CD-CD1 4.12Å; K18-Y125 HydrophobicContact CD-CE1 4.23Å; K18-V128 HydrophobicContact CB-CG1 4.46Å; K18-V128 HydrophobicContact CG-CG1 4.33Å; K18-D129 WeakPolarHBondContact CE-OD1 3.26Å; K18-D129 VanDerWaalsContact NZ-CG 3.26Å; K18-D129 IonicContact NZ-OD1 2.66Å; K18-D129 PolarHBondContact NZ-OD1 3.23Å; K18-D129 IonicContact NZ-OD2 3Å; K18-D129 PolarHBondContact NZ-OD2 3.12Å |
| 19 | W | 92.4 | Very high | 88.4 | Confident | 56 Ų | 56 | 75.6 Ų | 75.6 | 21% | 0.212 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 120.4 | 179.1 | -55.5 | 94.6 | 0 | 0 | 0 | 109 | F4 L6 F23 K28 L31 I32 | F4-W19 HydrophobicContact CB-CD2 4.1Å; F4-W19 HydrophobicContact CB-CE3 3.44Å; F4-W19 VanDerWaalsContact CB-CE3 3.44Å; F4-W19 HydrophobicContact CB-CZ3 3.77Å; F4-W19 AromaticContact CD1-CE3 3.92Å; F4-W19 HydrophobicContact CD1-CE3 3.92Å; F4-W19 HydrophobicContact CD1-CH2 4.46Å; F4-W19 AromaticContact CD1-CZ3 3.49Å; F4-W19 HydrophobicContact CD1-CZ3 3.49Å; F4-W19 VanDerWaalsContact CD1-CZ3 3.49Å; F4-W19 HydrophobicContact CD2-CZ3 4.35Å; F4-W19 HydrophobicContact CE1-CZ3 4.11Å; F4-W19 AromaticContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CE3 3.85Å; F4-W19 HydrophobicContact CG-CH2 4.39Å; F4-W19 AromaticContact CG-CZ3 3.62Å; F4-W19 HydrophobicContact CG-CZ3 3.62Å; L6-W19 HydrophobicContact CD2-CZ2 4.43Å; W19-F23 HydrophobicContact CD2-CD2 4.3Å; W19-F23 AromaticContact CE3-CD2 3.4Å; W19-F23 HydrophobicContact CE3-CD2 3.4Å; W19-F23 VanDerWaalsContact CE3-CD2 3.4Å; W19-F23 AromaticContact CE3-CE2 3.69Å; W19-F23 HydrophobicContact CE3-CE2 3.69Å; W19-F23 HydrophobicContact CE3-CG 4.38Å; W19-F23 AromaticContact CZ3-CD2 3.86Å; W19-F23 HydrophobicContact CZ3-CD2 3.86Å; W19-F23 HydrophobicContact CZ3-CE2 4.06Å; W19-K28 HydrophobicContact CD2-CD 4.29Å; W19-K28 HydrophobicContact CD2-CG 4.04Å; W19-K28 HydrophobicContact CE3-CG 4.34Å; W19-K28 HydrophobicContact CG-CD 4.45Å; W19-K28 HydrophobicContact CH2-CB 4.01Å; W19-K28 HydrophobicContact CH2-CG 4.04Å; W19-K28 HydrophobicContact CZ2-CB 3.62Å; W19-K28 HydrophobicContact CZ2-CD 4.32Å; W19-K28 HydrophobicContact CZ2-CG 3.7Å; W19-K28 HydrophobicContact CZ3-CG 4.34Å; W19-L31 HydrophobicContact CH2-CB 4.05Å; W19-L31 HydrophobicContact CH2-CD1 4.12Å; W19-L31 HydrophobicContact CZ3-CB 4.49Å; W19-L31 HydrophobicContact CZ3-CD1 3.8Å; W19-I32 HydrophobicContact CH2-CG1 4.45Å; W19-I32 HydrophobicContact CZ2-CD1 4.11Å; W19-I32 HydrophobicContact CZ2-CG1 4.11Å |
| 20 | Y | 90 | Very high | 88.2 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 20% | 0.2 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -96.6 | -16.3 | 175.1 | -63.6 | -70.7 | 0 | 0 | 0 | 112.3 | I2 R3 I5 K18 F132 | I2-Y20 HydrophobicContact CB-CD2 4.15Å; I2-Y20 HydrophobicContact CB-CE2 4.41Å; I2-Y20 HydrophobicContact CG2-CD2 3.75Å; I2-Y20 HydrophobicContact CG2-CE2 3.89Å; I2-Y20 WeakPolarHBondContact O-CB 3.17Å; R3-Y20 PolarHBondContact O-N 3.32Å; I5-Y20 HydrophobicContact CD1-CE2 3.72Å; I5-Y20 HydrophobicContact CG1-CE2 3.94Å; K18-Y20 HydrophobicContact CG-CE1 4.1Å; K18-Y20 HydrophobicContact CG-CE2 4.17Å; Y20-F132 WeakPolarHBondContact OH-CB 3.22Å; Y20-F132 PolarHBondContact OH-O 3.35Å |
| 21 | M | 87.2 | Confident | 88.1 | Confident | 70 Ų | 70 | 70.6 Ų | 70.6 | 35% | 0.345 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -109.5 | 148.1 | 170.2 | -178.2 | 174.3 | -175.4 | 0 | 0 | 109.8 | R3 F23 | R3-M21 PolarHBondContact NH1-SD 3.44Å; R3-M21 PolarHBondContact O-N 3.05Å; M21-F23 HydrophobicContact CB-CD2 4.36Å; M21-F23 HydrophobicContact CB-CE2 3.64Å; M21-F23 HydrophobicContact CB-CZ 3.92Å; M21-F23 HydrophobicContact CG-CE1 4.45Å; M21-F23 HydrophobicContact CG-CE2 4.07Å; M21-F23 HydrophobicContact CG-CZ 3.96Å; M21-F23 VanDerWaalsContact O-CD2 3.22Å; M21-F23 WeakPolarHBondContact O-CD2 3.35Å; M21-F23 HydrophobicContact SD-CE1 4.15Å; M21-F23 HydrophobicContact SD-CE2 4.48Å; M21-F23 HydrophobicContact SD-CZ 3.8Å |
| 22 | Q | 83.6 | Confident | 88.2 | Confident | 191 Ų | 191 | 68.1 Ų | 68.1 | 89% | 0.893 | 33% | 0.334 | S | S | * | . | trans | -73.1 | 128.9 | 173.9 | -64.1 | -175.1 | 7.3 | 0 | 0 | 109.6 | ||||
| 23 | F | 81.7 | Confident | 88.4 | Confident | 15 Ų | 15 | 72.4 Ų | 72.4 | 7% | 0.066 | 35% | 0.348 | C | S | . | . | trans | -136.2 | 151 | 174.5 | -64 | -76.1 | 0 | 0 | 0 | 107.8 | F4 W19 M21 E27 K28 L31 | F4-F23 HydrophobicContact CD1-CE2 4.35Å; W19-F23 HydrophobicContact CD2-CD2 4.3Å; W19-F23 AromaticContact CE3-CD2 3.4Å; W19-F23 HydrophobicContact CE3-CD2 3.4Å; W19-F23 VanDerWaalsContact CE3-CD2 3.4Å; W19-F23 AromaticContact CE3-CE2 3.69Å; W19-F23 HydrophobicContact CE3-CE2 3.69Å; W19-F23 HydrophobicContact CE3-CG 4.38Å; W19-F23 AromaticContact CZ3-CD2 3.86Å; W19-F23 HydrophobicContact CZ3-CD2 3.86Å; W19-F23 HydrophobicContact CZ3-CE2 4.06Å; M21-F23 HydrophobicContact CB-CD2 4.36Å; M21-F23 HydrophobicContact CB-CE2 3.64Å; M21-F23 HydrophobicContact CB-CZ 3.92Å; M21-F23 HydrophobicContact CG-CE1 4.45Å; M21-F23 HydrophobicContact CG-CE2 4.07Å; M21-F23 HydrophobicContact CG-CZ 3.96Å; M21-F23 VanDerWaalsContact O-CD2 3.22Å; M21-F23 WeakPolarHBondContact O-CD2 3.35Å; M21-F23 HydrophobicContact SD-CE1 4.15Å; M21-F23 HydrophobicContact SD-CE2 4.48Å; M21-F23 HydrophobicContact SD-CZ 3.8Å; F23-E27 HydrophobicContact CB-CB 4.35Å; F23-K28 HydrophobicContact CB-CG 3.81Å; F23-K28 WeakPolarHBondContact O-CE 3.3Å; F23-K28 PolarHBondContact O-NZ 3.16Å; F23-L31 HydrophobicContact CD1-CD1 4.22Å; F23-L31 HydrophobicContact CE1-CD1 4.26Å; F23-L31 HydrophobicContact CG-CD1 4.46Å | ||
| 24 | D | 87.2 | Confident | 88.1 | Confident | 117 Ų | 117 | 69.2 Ų | 69.2 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | trans | -71.5 | 155.4 | 171.3 | -65.5 | -36 | 0 | 0 | 0 | 110.4 | D26 E27 K28 | D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.13Å; D24-E27 HydrophobicContact CB-CB 4.49Å; D24-E27 HydrophobicContact CB-CG 4.27Å; D24-E27 PolarHBondContact N-OE2 3.31Å; D24-E27 WeakPolarHBondContact O-CB 3.39Å; D24-E27 PolarHBondContact O-N 3.18Å; D24-E27 VanDerWaalsContact O-N 3.09Å; D24-K28 WeakPolarHBondContact O-CG 3.35Å; D24-K28 PolarHBondContact O-N 3.29Å | ||
| 25 | D | 86.8 | Confident | 87.6 | Confident | 119 Ų | 119 | 67 Ų | 67 | 64% | 0.636 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -65.4 | -33.8 | -175.7 | -68.5 | -31.5 | 0 | 0 | 0 | 112.4 | K28 Q29 | D25-K28 PolarHBondContact O-N 2.66Å; D25-K28 IonicContact OD1-NZ 3.98Å; D25-K28 PolarHBondContact OD1-NZ 2.94Å; D25-Q29 PolarHBondContact O-N 3Å |
| 26 | D | 86.3 | Confident | 87.2 | Confident | 143 Ų | 143 | 65.6 Ų | 65.6 | 77% | 0.765 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.1 | -41.2 | 171.1 | -65.8 | -67.3 | 0 | 0 | 0 | 112 | D24 K30 | D24-D26 VanDerWaalsContact C-N 3.28Å; D24-D26 PolarHBondContact O-N 3.13Å; D26-K30 WeakPolarHBondContact O-CB 3.21Å; D26-K30 PolarHBondContact O-N 3.18Å; D26-K30 VanDerWaalsContact O-N 3.1Å |
| 27 | E | 84.8 | Confident | 86.6 | Confident | 45 Ų | 45 | 68 Ų | 68 | 21% | 0.21 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 175.6 | -71.4 | -169.2 | 117.6 | 0 | 0 | 111.6 | F23 D24 Q29 K30 L31 R67 | F23-E27 HydrophobicContact CB-CB 4.35Å; D24-E27 HydrophobicContact CB-CB 4.49Å; D24-E27 HydrophobicContact CB-CG 4.27Å; D24-E27 PolarHBondContact N-OE2 3.31Å; D24-E27 WeakPolarHBondContact O-CB 3.39Å; D24-E27 PolarHBondContact O-N 3.18Å; D24-E27 VanDerWaalsContact O-N 3.09Å; E27-Q29 VanDerWaalsContact C-N 3.32Å; E27-Q29 PolarHBondContact O-N 3.47Å; E27-K30 PolarHBondContact O-N 3.46Å; E27-L31 WeakPolarHBondContact O-CB 3.42Å; E27-L31 VanDerWaalsContact O-CG 3.27Å; E27-L31 WeakPolarHBondContact O-CG 3.03Å; E27-L31 PolarHBondContact O-N 3.13Å; E27-R67 IonicContact OE1-CZ 2.8Å; E27-R67 IonicContact OE1-NH1 2.69Å; E27-R67 PolarHBondContact OE1-NH1 3.07Å; E27-R67 IonicContact OE1-NH2 2.88Å; E27-R67 PolarHBondContact OE1-NH2 3.43Å; E27-R67 IonicContact OE2-NH2 3.88Å |
| 28 | K | 86.4 | Confident | 85.8 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 23% | 0.226 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 178.1 | -70.7 | 174.9 | -165.4 | 144.2 | 0 | 111 | W19 F23 D24 D25 L31 I32 | W19-K28 HydrophobicContact CD2-CD 4.29Å; W19-K28 HydrophobicContact CD2-CG 4.04Å; W19-K28 HydrophobicContact CE3-CG 4.34Å; W19-K28 HydrophobicContact CG-CD 4.45Å; W19-K28 HydrophobicContact CH2-CB 4.01Å; W19-K28 HydrophobicContact CH2-CG 4.04Å; W19-K28 HydrophobicContact CZ2-CB 3.62Å; W19-K28 HydrophobicContact CZ2-CD 4.32Å; W19-K28 HydrophobicContact CZ2-CG 3.7Å; W19-K28 HydrophobicContact CZ3-CG 4.34Å; F23-K28 HydrophobicContact CB-CG 3.81Å; F23-K28 WeakPolarHBondContact O-CE 3.3Å; F23-K28 PolarHBondContact O-NZ 3.16Å; D24-K28 WeakPolarHBondContact O-CG 3.35Å; D24-K28 PolarHBondContact O-N 3.29Å; D25-K28 PolarHBondContact O-N 2.66Å; D25-K28 IonicContact OD1-NZ 3.98Å; D25-K28 PolarHBondContact OD1-NZ 2.94Å; K28-L31 PolarHBondContact O-N 2.94Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.35Å; K28-I32 PolarHBondContact O-N 3.48Å |
| 29 | Q | 87.6 | Confident | 84.9 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 179.7 | -174.5 | 61.2 | 25.7 | 0 | 0 | 111 | D25 E27 L31 I32 E33 | D25-Q29 PolarHBondContact O-N 3Å; E27-Q29 VanDerWaalsContact C-N 3.32Å; E27-Q29 PolarHBondContact O-N 3.47Å; Q29-L31 PolarHBondContact O-N 3.09Å; Q29-I32 PolarHBondContact O-N 3.32Å; Q29-E33 PolarHBondContact NE2-OE1 3.49Å; Q29-E33 WeakPolarHBondContact O-CG 3.19Å; Q29-E33 PolarHBondContact O-N 2.75Å; Q29-E33 VanDerWaalsContact O-N 3.12Å |
| 30 | K | 85.9 | Confident | 84 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 39% | 0.387 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.5 | -174.2 | 175.5 | 173.6 | -177.3 | 0 | 112.1 | D26 E27 I32 E33 E34 S56 | D26-K30 WeakPolarHBondContact O-CB 3.21Å; D26-K30 PolarHBondContact O-N 3.18Å; D26-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 PolarHBondContact O-N 3.46Å; K30-I32 PolarHBondContact O-N 2.91Å; K30-E33 PolarHBondContact O-N 3.26Å; K30-E34 WeakPolarHBondContact CE-OE1 3.19Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 WeakPolarHBondContact O-CB 3.22Å; K30-E34 WeakPolarHBondContact O-CG 3.2Å; K30-E34 PolarHBondContact O-N 3.39Å; K30-S56 PolarHBondContact NZ-O 3.36Å |
| 31 | L | 85.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.063 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 177 | -73.9 | 169.9 | 0 | 0 | 0 | 112 | F4 W19 F23 E27 K28 Q29 E33 E34 V35 | F4-L31 HydrophobicContact CE1-CD1 4.29Å; W19-L31 HydrophobicContact CH2-CB 4.05Å; W19-L31 HydrophobicContact CH2-CD1 4.12Å; W19-L31 HydrophobicContact CZ3-CB 4.49Å; W19-L31 HydrophobicContact CZ3-CD1 3.8Å; F23-L31 HydrophobicContact CD1-CD1 4.22Å; F23-L31 HydrophobicContact CE1-CD1 4.26Å; F23-L31 HydrophobicContact CG-CD1 4.46Å; E27-L31 WeakPolarHBondContact O-CB 3.42Å; E27-L31 VanDerWaalsContact O-CG 3.27Å; E27-L31 WeakPolarHBondContact O-CG 3.03Å; E27-L31 PolarHBondContact O-N 3.13Å; K28-L31 PolarHBondContact O-N 2.94Å; Q29-L31 PolarHBondContact O-N 3.09Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 2.91Å; L31-E34 PolarHBondContact O-N 2.92Å; L31-V35 WeakPolarHBondContact O-CB 3.41Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.46Å |
| 32 | I | 88 | Confident | 81.6 | Confident | 23 Ų | 23 | 70.3 Ų | 70.3 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.4 | -45.6 | 177.4 | -75.6 | 169.1 | 0 | 0 | 0 | 111 | L6 Q8 T14 W19 K28 Q29 K30 H36 | L6-I32 HydrophobicContact CD1-CG1 4.16Å; L6-I32 HydrophobicContact CD2-CG1 3.96Å; Q8-I32 PolarHBondContact NE2-O 3.19Å; T14-I32 WeakPolarHBondContact OG1-CG2 3.47Å; W19-I32 HydrophobicContact CH2-CG1 4.45Å; W19-I32 HydrophobicContact CZ2-CD1 4.11Å; W19-I32 HydrophobicContact CZ2-CG1 4.11Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.35Å; K28-I32 PolarHBondContact O-N 3.48Å; Q29-I32 PolarHBondContact O-N 3.32Å; K30-I32 PolarHBondContact O-N 2.91Å; I32-H36 WeakPolarHBondContact O-CB 3.49Å; I32-H36 PolarHBondContact O-N 3.44Å; I32-H36 VanDerWaalsContact O-N 3.1Å |
| 33 | E | 86.3 | Confident | 80.2 | Confident | 114 Ų | 114 | 66.9 Ų | 66.9 | 53% | 0.533 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.5 | -44.5 | -179.4 | -70.3 | 174.5 | -169.3 | 0 | 0 | 112.2 | Q29 K30 L31 H36 A37 | Q29-E33 PolarHBondContact NE2-OE1 3.49Å; Q29-E33 WeakPolarHBondContact O-CG 3.19Å; Q29-E33 PolarHBondContact O-N 2.75Å; Q29-E33 VanDerWaalsContact O-N 3.12Å; K30-E33 PolarHBondContact O-N 3.26Å; L31-E33 VanDerWaalsContact C-N 3.34Å; L31-E33 PolarHBondContact O-N 2.91Å; E33-H36 WeakPolarHBondContact O-CB 3.3Å; E33-H36 PolarHBondContact O-N 2.9Å; E33-A37 PolarHBondContact O-N 3.15Å |
| 34 | E | 82.8 | Confident | 78.9 | Confident | 60 Ų | 60 | 71 Ų | 71 | 28% | 0.28 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.4 | -45 | 177 | -75.2 | 179.4 | -175.6 | 0 | 0 | 111.8 | K30 L31 H36 A37 V38 | K30-E34 WeakPolarHBondContact CE-OE1 3.19Å; K30-E34 HydrophobicContact CG-CG 4.48Å; K30-E34 WeakPolarHBondContact O-CB 3.22Å; K30-E34 WeakPolarHBondContact O-CG 3.2Å; K30-E34 PolarHBondContact O-N 3.39Å; L31-E34 PolarHBondContact O-N 2.92Å; E34-H36 VanDerWaalsContact C-N 3.29Å; E34-H36 PolarHBondContact O-N 3.25Å; E34-A37 PolarHBondContact O-N 2.82Å; E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 2.74Å |
| 35 | V | 83.2 | Confident | 77.2 | Confident | 5 Ų | 5 | 75.2 Ų | 75.2 | 3% | 0.03 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.9 | 171 | 0 | 0 | 0 | 0 | 110.7 | F4 L6 L31 A37 V38 V39 I71 C82 | F4-V35 HydrophobicContact CE2-CG2 4.22Å; F4-V35 HydrophobicContact CZ-CG2 4.16Å; L6-V35 HydrophobicContact CD1-CB 4.24Å; L6-V35 HydrophobicContact CD1-CG1 4.21Å; L6-V35 HydrophobicContact CD1-CG2 4.18Å; L31-V35 WeakPolarHBondContact O-CB 3.41Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.46Å; V35-A37 PolarHBondContact O-N 3.03Å; V35-V38 PolarHBondContact O-N 2.85Å; V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.33Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.3Å; V35-V39 PolarHBondContact O-N 3.46Å; V35-I71 HydrophobicContact CG2-CD1 3.61Å; V35-C82 HydrophobicContact CG1-CB 4.22Å |
| 36 | H | 83.3 | Confident | 75.7 | Confident | 38 Ų | 38 | 74.4 Ų | 74.4 | 18% | 0.176 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62 | -46 | 179.1 | -173.6 | 60 | 0 | 0 | 0 | 111.9 | N9 R10 G12 I32 E33 E34 V38 V39 T40 | N9-H36 PolarHBondContact O-CE1 2.79Å; R10-H36 PolarHBondContact O-CE1 2.71Å; G12-H36 WeakPolarHBondContact CA-CE1 3.17Å; G12-H36 WeakPolarHBondContact CA-ND1 3.4Å; G12-H36 VanDerWaalsContact CA-NE2 3.3Å; G12-H36 WeakPolarHBondContact CA-NE2 3.47Å; G12-H36 PolarHBondContact N-CE1 3.35Å; G12-H36 PolarHBondContact N-NE2 2.92Å; I32-H36 WeakPolarHBondContact O-CB 3.49Å; I32-H36 PolarHBondContact O-N 3.44Å; I32-H36 VanDerWaalsContact O-N 3.1Å; E33-H36 WeakPolarHBondContact O-CB 3.3Å; E33-H36 PolarHBondContact O-N 2.9Å; E34-H36 VanDerWaalsContact C-N 3.29Å; E34-H36 PolarHBondContact O-N 3.25Å; H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 3.35Å; H36-V39 PolarHBondContact O-N 3.4Å; H36-T40 WeakPolarHBondContact CE1-CG2 3.38Å; H36-T40 WeakPolarHBondContact O-CB 3.46Å; H36-T40 WeakPolarHBondContact O-CG2 3.46Å; H36-T40 PolarHBondContact O-N 2.89Å; H36-T40 PolarHBondContact O-OG1 3.34Å |
| 37 | A | 81.3 | Confident | 73.9 | Confident | 54 Ų | 54 | 72 Ų | 72 | 45% | 0.446 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E33 E34 V35 V41 | E33-A37 PolarHBondContact O-N 3.15Å; E34-A37 PolarHBondContact O-N 2.82Å; V35-A37 PolarHBondContact O-N 3.03Å; A37-V41 VanDerWaalsContact O-CG2 3.26Å; A37-V41 WeakPolarHBondContact O-CG2 3.43Å |
| 38 | V | 77.6 | Confident | 72.5 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 29% | 0.291 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -71.8 | -38.5 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | E34 V35 H36 R42 V50 | E34-V38 WeakPolarHBondContact O-CG2 3.45Å; E34-V38 PolarHBondContact O-N 2.74Å; V35-V38 PolarHBondContact O-N 2.85Å; H36-V38 VanDerWaalsContact C-N 3.34Å; H36-V38 PolarHBondContact O-N 3.35Å; V38-R42 WeakPolarHBondContact O-CD 3.48Å; V38-R42 WeakPolarHBondContact O-CG 3.39Å; V38-V50 HydrophobicContact CG1-CG1 3.44Å; V38-V50 VanDerWaalsContact CG1-CG1 3.44Å; V38-V50 HydrophobicContact CG1-CG2 4.28Å |
| 39 | V | 74.9 | Confident | 70.7 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -79.7 | -34 | -174.6 | 172 | 0 | 0 | 0 | 0 | 112.5 | V35 H36 Y73 Y80 | V35-V39 HydrophobicContact CG1-CG2 4.29Å; V35-V39 WeakPolarHBondContact O-CB 3.33Å; V35-V39 VanDerWaalsContact O-CG2 3.32Å; V35-V39 WeakPolarHBondContact O-CG2 3.3Å; V35-V39 PolarHBondContact O-N 3.46Å; H36-V39 PolarHBondContact O-N 3.4Å; V39-Y73 HydrophobicContact CB-CD2 4.41Å; V39-Y73 HydrophobicContact CG1-CD2 3.48Å; V39-Y73 VanDerWaalsContact CG1-CD2 3.48Å; V39-Y73 HydrophobicContact CG1-CE2 3.77Å; V39-Y73 HydrophobicContact CG1-CG 4.16Å; V39-Y73 HydrophobicContact CG2-CD1 4.41Å; V39-Y73 HydrophobicContact CG2-CD2 4.16Å; V39-Y73 HydrophobicContact CG2-CG 4Å; V39-Y80 HydrophobicContact CG1-CD1 3.14Å; V39-Y80 HydrophobicContact CG1-CD2 4.31Å; V39-Y80 HydrophobicContact CG1-CE1 3.64Å; V39-Y80 HydrophobicContact CG1-CG 3.52Å |
| 40 | T | 73.4 | Confident | 68.9 | Low | 47 Ų | 47 | 69.1 Ų | 69.1 | 29% | 0.288 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -76.4 | -28.9 | -177.2 | 48.8 | 0 | 0 | 0 | 0 | 115.2 | H36 R42 Y80 | H36-T40 WeakPolarHBondContact CE1-CG2 3.38Å; H36-T40 WeakPolarHBondContact O-CB 3.46Å; H36-T40 WeakPolarHBondContact O-CG2 3.46Å; H36-T40 PolarHBondContact O-N 2.89Å; H36-T40 PolarHBondContact O-OG1 3.34Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 2.99Å; T40-Y80 HydrophobicContact CG2-CE2 4.16Å |
| 41 | V | 67.3 | Low | 66.9 | Low | 122 Ų | 122 | 71.5 Ų | 71.5 | 74% | 0.739 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -77.3 | -15.5 | -179.5 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | A37 D43 | A37-V41 VanDerWaalsContact O-CG2 3.26Å; A37-V41 WeakPolarHBondContact O-CG2 3.43Å; V41-D43 PolarHBondContact O-N 3.14Å |
| 42 | R | 60.8 | Low | 65.1 | Low | 78 Ų | 78 | 72.1 Ų | 72.1 | 29% | 0.294 | 39% | 0.385 | S | S | . | . | trans | -86 | 113.9 | -175.1 | -73.3 | -179.2 | 175.4 | -146.4 | -1.4 | 112.3 | V38 T40 H46 F49 V50 Y73 | V38-R42 WeakPolarHBondContact O-CD 3.48Å; V38-R42 WeakPolarHBondContact O-CG 3.39Å; T40-R42 VanDerWaalsContact C-N 3.25Å; T40-R42 PolarHBondContact O-N 2.99Å; R42-H46 HydrophobicContact CB-CB 4.35Å; R42-F49 PolarHBondContact NH1-O 3.14Å; R42-V50 VanDerWaalsContact CZ-CG2 3.45Å; R42-Y73 WeakPolarHBondContact CB-OH 3.36Å | ||
| 43 | D | 54.1 | Low | 62.9 | Low | 120 Ų | 120 | 77.5 Ų | 77.5 | 64% | 0.642 | 41% | 0.414 | S | S | * | . | trans | -71.8 | 161.2 | 174.2 | -132.6 | -33.1 | 0 | 0 | 0 | 113 | V41 K45 H46 | V41-D43 PolarHBondContact O-N 3.14Å; D43-K45 PolarHBondContact O-N 3.19Å; D43-H46 PolarHBondContact N-ND1 3.44Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.41Å; D43-H46 PolarHBondContact O-ND1 3.05Å | ||
| 44 | A | 53.4 | Low | 60.5 | Low | 101 Ų | 101 | 75.4 Ų | 75.4 | 84% | 0.835 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -8.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 45 | K | 51.6 | Low | 58.6 | Low | 206 Ų | 206 | 73.5 Ų | 73.5 | 90% | 0.896 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -12.7 | 174.6 | -65.6 | -178 | 179.1 | 178.3 | 0 | 113.4 | D43 | D43-K45 PolarHBondContact O-N 3.19Š|
| 46 | H | 55.8 | Low | 56.2 | Low | 102 Ų | 102 | 77.5 Ų | 77.5 | 47% | 0.472 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -82.9 | 152.4 | 176.8 | -59.3 | 98.3 | 0 | 0 | 0 | 110.5 | R42 D43 | R42-H46 HydrophobicContact CB-CB 4.35Å; D43-H46 PolarHBondContact N-ND1 3.44Å; D43-H46 WeakPolarHBondContact O-CB 3.44Å; D43-H46 PolarHBondContact O-N 3.41Å; D43-H46 PolarHBondContact O-ND1 3.05Å |
| 47 | T | 48.6 | Very low | 54 | Low | 91 Ų | 91 | 79 Ų | 79 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | trans | -63.8 | 148.3 | 179.3 | 54.2 | 0 | 0 | 0 | 0 | 111 | F49 | T47-F49 PolarHBondContact O-N 3.31Å; T47-F49 PolarHBondContact OG1-O 2.89Å | ||
| 48 | N | 55.2 | Low | 51.7 | Low | 71 Ų | 71 | 81 Ų | 81 | 38% | 0.38 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -66.8 | 7.2 | 172.5 | -65.2 | -29 | 0 | 0 | 0 | 113.3 | L95 | N48-L95 HydrophobicContact CB-CD1 4.07Å; N48-L95 HydrophobicContact CB-CD2 4.33Å |
| 49 | F | 47.9 | Very low | 49.5 | Very low | 65 Ų | 65 | 85.9 Ų | 85.9 | 29% | 0.285 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 122.2 | -177.1 | -54 | -62.9 | 0 | 0 | 0 | 109 | R42 T47 N91 L92 L95 | R42-F49 PolarHBondContact NH1-O 3.14Å; T47-F49 PolarHBondContact O-N 3.31Å; T47-F49 PolarHBondContact OG1-O 2.89Å; F49-N91 HydrophobicContact CD1-CB 3.79Å; F49-N91 HydrophobicContact CE1-CB 3.49Å; F49-N91 VanDerWaalsContact CE1-CB 3.49Å; F49-N91 HydrophobicContact CZ-CB 4.25Å; F49-L92 HydrophobicContact CZ-CD2 3.82Å; F49-L92 HydrophobicContact CZ-CG 4.5Å; F49-L95 HydrophobicContact CZ-CD2 4.34Å |
| 50 | V | 49.7 | Very low | 47.7 | Very low | 3 Ų | 3 | 90.9 Ų | 90.9 | 2% | 0.018 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 102.2 | 169.8 | -174.7 | 0 | 0 | 0 | 0 | 106.6 | V38 R42 V52 I71 Y73 | V38-V50 HydrophobicContact CG1-CG1 3.44Å; V38-V50 VanDerWaalsContact CG1-CG1 3.44Å; V38-V50 HydrophobicContact CG1-CG2 4.28Å; R42-V50 VanDerWaalsContact CZ-CG2 3.45Å; V50-V52 HydrophobicContact CB-CG2 4.25Å; V50-V52 HydrophobicContact CG1-CB 4.41Å; V50-V52 HydrophobicContact CG1-CG2 3.27Å; V50-V52 PolarHBondContact O-N 2.72Å; V50-I71 HydrophobicContact CB-CB 4.39Å; V50-I71 PolarHBondContact N-O 2.89Å; V50-I71 VanDerWaalsContact N-O 3.09Å; V50-I71 PolarHBondContact O-N 3.08Å; V50-Y73 HydrophobicContact CG2-CD1 3.49Å; V50-Y73 VanDerWaalsContact CG2-CD1 3.49Å; V50-Y73 HydrophobicContact CG2-CE1 3.32Å |
| 51 | E | 45.3 | Very low | 45.6 | Very low | 140 Ų | 140 | 95.8 Ų | 95.8 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 102.4 | 154.2 | -71.3 | -173.5 | 168.5 | 0 | 0 | 106.7 | L53 | E51-L53 PolarHBondContact O-N 2.88Å |
| 52 | V | 47.4 | Very low | 43.7 | Very low | 24 Ų | 24 | 95.5 Ų | 95.5 | 15% | 0.145 | 55% | 0.551 | C | S | . | * | trans | -83.6 | 90.3 | 171.8 | -177.3 | 0 | 0 | 0 | 0 | 106.4 | V50 A54 I55 I71 | V50-V52 HydrophobicContact CB-CG2 4.25Å; V50-V52 HydrophobicContact CG1-CB 4.41Å; V50-V52 HydrophobicContact CG1-CG2 3.27Å; V50-V52 PolarHBondContact O-N 2.72Å; V52-A54 PolarHBondContact O-N 2.85Å; V52-I55 HydrophobicContact CG1-CG1 4.47Å; V52-I71 HydrophobicContact CG2-CB 4.32Å; V52-I71 HydrophobicContact CG2-CD1 3.79Å; V52-I71 HydrophobicContact CG2-CG1 3.91Å | ||
| 53 | L | 40.5 | Very low | 41.9 | Very low | 137 Ų | 137 | 96.6 Ų | 96.6 | 72% | 0.717 | 57% | 0.566 | S | S | * | * | trans | -79.6 | 15.7 | 179.8 | -145.6 | 123.7 | 0 | 0 | 0 | 113.5 | E51 | E51-L53 PolarHBondContact O-N 2.88Š| ||
| 54 | A | 36.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 98.8 Ų | 98.8 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | trans | -146.1 | 90 | -177 | 0 | 0 | 0 | 0 | 0 | 110.8 | V52 | V52-A54 PolarHBondContact O-N 2.85Š| ||
| 55 | I | 42.8 | Very low | 39.5 | Very low | 19 Ų | 19 | 100.1 Ų | 100.1 | 10% | 0.097 | 57% | 0.566 | C | S | . | * | trans | -111 | 88.3 | 154.3 | -60.2 | 164.7 | 0 | 0 | 0 | 104.4 | V52 V57 R67 F69 | V52-I55 HydrophobicContact CG1-CG1 4.47Å; I55-V57 HydrophobicContact CG2-CG2 4.32Å; I55-V57 PolarHBondContact O-N 3.33Å; I55-R67 HydrophobicContact CB-CB 3.91Å; I55-R67 HydrophobicContact CD1-CB 3.7Å; I55-R67 HydrophobicContact CG1-CB 4.37Å; I55-R67 HydrophobicContact CG2-CB 4.16Å; I55-R67 HydrophobicContact CG2-CG 4.46Å; I55-F69 HydrophobicContact CD1-CD2 3.96Å | ||
| 56 | S | 33.3 | Very low | 38.8 | Very low | 89 Ų | 89 | 96.4 Ų | 96.4 | 62% | 0.622 | 55% | 0.55 | S | S | * | . | trans | -84.8 | 95.8 | 169.5 | 71.5 | 0 | 0 | 0 | 0 | 108.6 | K30 A58 | K30-S56 PolarHBondContact NZ-O 3.36Å; S56-A58 PolarHBondContact O-N 2.72Å | ||
| 57 | V | 36.9 | Very low | 38.7 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 42% | 0.424 | 54% | 0.535 | S | S | . | . | trans | -85 | 96.5 | 151 | -108.8 | 0 | 0 | 0 | 0 | 105.5 | I55 D59 | I55-V57 HydrophobicContact CG2-CG2 4.32Å; I55-V57 PolarHBondContact O-N 3.33Å; V57-D59 PolarHBondContact O-N 2.8Å | ||
| 58 | A | 32.9 | Very low | 39.5 | Very low | 97 Ų | 97 | 94.9 Ų | 94.9 | 80% | 0.802 | 54% | 0.538 | S | S | * | . | trans | -77.4 | 96.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | S56 | S56-A58 PolarHBondContact O-N 2.72Š| ||
| 59 | D | 32.1 | Very low | 40.3 | Very low | 150 Ų | 150 | 92.9 Ų | 92.9 | 80% | 0.802 | 53% | 0.526 | S | S | * | . | trans | -128.9 | 137.4 | 155.4 | -144.4 | -5.9 | 0 | 0 | 0 | 110.9 | V57 L61 | V57-D59 PolarHBondContact O-N 2.8Å; D59-L61 PolarHBondContact O-N 3.01Å; D59-L61 VanDerWaalsContact O-N 3.15Å | ||
| 60 | S | 35.4 | Very low | 41.7 | Very low | 107 Ų | 107 | 90.3 Ų | 90.3 | 75% | 0.748 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -86.5 | 88.1 | -155.3 | -61.9 | 0 | 0 | 0 | 0 | 111 | ||
| 61 | L | 29.6 | Very low | 43.2 | Very low | 150 Ų | 150 | 90.9 Ų | 90.9 | 79% | 0.785 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -178.1 | 111.9 | 140.9 | -124.2 | 71.8 | 0 | 0 | 0 | 109.5 | D59 V63 | D59-L61 PolarHBondContact O-N 3.01Å; D59-L61 VanDerWaalsContact O-N 3.15Å; L61-V63 PolarHBondContact O-N 3.4Å |
| 62 | S | 26.7 | Very low | 45.2 | Very low | 116 Ų | 116 | 84.3 Ų | 84.3 | 81% | 0.811 | 49% | 0.487 | S | S | * | . | S | Bend | trans | 55.6 | 38.3 | 154 | 55 | 0 | 0 | 0 | 0 | 118.7 | ||
| 63 | V | 24.6 | Very low | 47.1 | Very low | 101 Ų | 101 | 83.8 Ų | 83.8 | 61% | 0.612 | 48% | 0.482 | S | S | * | . | trans | -149.6 | 104.3 | 150.8 | -161.3 | 0 | 0 | 0 | 0 | 110.5 | L61 Q65 | L61-V63 PolarHBondContact O-N 3.4Å; V63-Q65 HydrophobicContact CG1-CB 3.99Å; V63-Q65 HydrophobicContact CG1-CG 3.53Å; V63-Q65 PolarHBondContact O-N 3.4Å | ||
| 64 | L | 26.6 | Very low | 49.2 | Very low | 165 Ų | 165 | 80.2 Ų | 80.2 | 86% | 0.864 | 46% | 0.46 | S | S | * | . | trans | -66.5 | 81.8 | 158.3 | -86.8 | 157.7 | 0 | 0 | 0 | 108 | F66 | L64-F66 HydrophobicContact CD2-CE2 4.44Š| ||
| 65 | Q | 29.7 | Very low | 51.6 | Low | 130 Ų | 130 | 83.6 Ų | 83.6 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | trans | -98.6 | 89.9 | 170 | -102.5 | 177.7 | 42.4 | 0 | 0 | 108.6 | V63 R67 | V63-Q65 HydrophobicContact CG1-CB 3.99Å; V63-Q65 HydrophobicContact CG1-CG 3.53Å; V63-Q65 PolarHBondContact O-N 3.4Å; Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 3.45Å | ||
| 66 | F | 37.9 | Very low | 53.7 | Low | 127 Ų | 127 | 85.1 Ų | 85.1 | 56% | 0.557 | 46% | 0.462 | S | S | * | . | trans | -54.3 | 105.3 | 148.8 | -69.4 | -91.8 | 0 | 0 | 0 | 105.6 | L64 N68 | L64-F66 HydrophobicContact CD2-CE2 4.44Å; F66-N68 PolarHBondContact O-N 2.9Å; F66-N68 PolarHBondContact O-OD1 3.28Å; F66-N68 VanDerWaalsContact O-OD1 3.07Å | ||
| 67 | R | 52.2 | Low | 56.2 | Low | 46 Ų | 46 | 85.3 Ų | 85.3 | 17% | 0.174 | 47% | 0.469 | C | S | . | . | trans | -67 | 101.5 | 178.5 | -91 | 174.6 | 169.9 | 177.5 | 9.1 | 107.4 | E27 I55 Q65 F69 | E27-R67 IonicContact OE1-CZ 2.8Å; E27-R67 IonicContact OE1-NH1 2.69Å; E27-R67 PolarHBondContact OE1-NH1 3.07Å; E27-R67 IonicContact OE1-NH2 2.88Å; E27-R67 PolarHBondContact OE1-NH2 3.43Å; E27-R67 IonicContact OE2-NH2 3.88Å; I55-R67 HydrophobicContact CB-CB 3.91Å; I55-R67 HydrophobicContact CD1-CB 3.7Å; I55-R67 HydrophobicContact CG1-CB 4.37Å; I55-R67 HydrophobicContact CG2-CB 4.16Å; I55-R67 HydrophobicContact CG2-CG 4.46Å; Q65-R67 VanDerWaalsContact C-N 3.33Å; Q65-R67 PolarHBondContact O-N 3.45Å; R67-F69 HydrophobicContact CB-CD2 3.75Å; R67-F69 HydrophobicContact CB-CE2 3.65Å; R67-F69 HydrophobicContact CG-CD2 4.26Å; R67-F69 HydrophobicContact CG-CE2 3.66Å; R67-F69 HydrophobicContact CG-CZ 4.4Å; R67-F69 PolarHBondContact O-N 2.95Å | ||
| 68 | N | 65.1 | Low | 58.5 | Low | 115 Ų | 115 | 83.2 Ų | 83.2 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | trans | -69.4 | 68.8 | -179.6 | -70 | -7.4 | 0 | 0 | 0 | 111.3 | F66 V87 | F66-N68 PolarHBondContact O-N 2.9Å; F66-N68 PolarHBondContact O-OD1 3.28Å; F66-N68 VanDerWaalsContact O-OD1 3.07Å; N68-V87 VanDerWaalsContact C-CG2 3.48Å; N68-V87 HydrophobicContact CB-CG2 3.95Å; N68-V87 VanDerWaalsContact O-CG2 3.23Å; N68-V87 WeakPolarHBondContact O-CG2 3.42Å | ||
| 69 | F | 72.9 | Confident | 61.2 | Low | 30 Ų | 30 | 79.1 Ų | 79.1 | 13% | 0.132 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.5 | 175.4 | -53.6 | -47.9 | 0 | 0 | 0 | 110.8 | R3 I55 R67 D86 | R3-F69 HydrophobicContact CG-CD1 4.22Å; R3-F69 HydrophobicContact CG-CE1 4.27Å; I55-F69 HydrophobicContact CD1-CD2 3.96Å; R67-F69 HydrophobicContact CB-CD2 3.75Å; R67-F69 HydrophobicContact CB-CE2 3.65Å; R67-F69 HydrophobicContact CG-CD2 4.26Å; R67-F69 HydrophobicContact CG-CE2 3.66Å; R67-F69 HydrophobicContact CG-CZ 4.4Å; R67-F69 PolarHBondContact O-N 2.95Å; F69-D86 WeakPolarHBondContact CD1-OD1 3.35Å; F69-D86 VanDerWaalsContact CE1-OD1 3.3Å; F69-D86 WeakPolarHBondContact CE1-OD1 3.46Å |
| 70 | K | 76.2 | Confident | 63.9 | Low | 11 Ų | 11 | 72.6 Ų | 72.6 | 5% | 0.048 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 146.4 | 177.1 | 64.9 | -173.4 | 177.7 | -158.4 | 0 | 109.9 | C84 V85 D86 V87 D89 N91 | K70-C84 WeakPolarHBondContact O-CA 3.26Å; K70-V85 HydrophobicContact CD-CG2 3.91Å; K70-V85 HydrophobicContact CG-CG2 3.38Å; K70-V85 PolarHBondContact N-O 3.29Å; K70-V85 PolarHBondContact O-N 3.48Å; K70-D86 WeakPolarHBondContact CE-O 3.4Å; K70-D86 PolarHBondContact NZ-O 3.06Å; K70-V87 PolarHBondContact NZ-O 2.94Å; K70-D89 VanDerWaalsContact NZ-C 3.28Å; K70-D89 PolarHBondContact NZ-O 3.05Å; K70-N91 WeakPolarHBondContact CD-OD1 3.33Å; K70-N91 WeakPolarHBondContact CE-OD1 3.37Å; K70-N91 PolarHBondContact NZ-OD1 3.46Å |
| 71 | I | 82.8 | Confident | 66.6 | Low | 15 Ų | 15 | 68.1 Ų | 68.1 | 8% | 0.077 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.1 | -179.6 | -54.8 | -169.4 | 0 | 0 | 0 | 108 | V35 V50 V52 C82 C84 | V35-I71 HydrophobicContact CG2-CD1 3.61Å; V50-I71 HydrophobicContact CB-CB 4.39Å; V50-I71 PolarHBondContact N-O 2.89Å; V50-I71 VanDerWaalsContact N-O 3.09Å; V50-I71 PolarHBondContact O-N 3.08Å; V52-I71 HydrophobicContact CG2-CB 4.32Å; V52-I71 HydrophobicContact CG2-CD1 3.79Å; V52-I71 HydrophobicContact CG2-CG1 3.91Å; I71-C82 HydrophobicContact CG2-CB 4.25Å; I71-C84 HydrophobicContact CG1-CB 4.38Å |
| 72 | I | 85.6 | Confident | 69.4 | Low | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.3 | 177.3 | -56.9 | 168.8 | 0 | 0 | 0 | 105.2 | C82 I83 V85 N91 Y94 L95 I98 | I72-C82 WeakPolarHBondContact O-CA 3.49Å; I72-I83 PolarHBondContact N-O 3.42Å; I72-I83 PolarHBondContact O-N 2.84Å; I72-V85 HydrophobicContact CD1-CG2 3.62Å; I72-V85 HydrophobicContact CG1-CG2 4.31Å; I72-N91 HydrophobicContact CD1-CB 4.37Å; I72-Y94 HydrophobicContact CD1-CD2 3.99Å; I72-Y94 HydrophobicContact CD1-CG 4.12Å; I72-L95 HydrophobicContact CG2-CB 4.09Å; I72-L95 HydrophobicContact CG2-CD1 4.14Å; I72-I98 HydrophobicContact CG2-CD1 4.22Å |
| 73 | Y | 87.4 | Confident | 72.5 | Confident | 12 Ų | 12 | 55.6 Ų | 55.6 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 151.1 | -176.8 | 80.3 | -74 | 0 | 0 | 0 | 111.3 | V39 R42 V50 Y80 F81 | V39-Y73 HydrophobicContact CB-CD2 4.41Å; V39-Y73 HydrophobicContact CG1-CD2 3.48Å; V39-Y73 VanDerWaalsContact CG1-CD2 3.48Å; V39-Y73 HydrophobicContact CG1-CE2 3.77Å; V39-Y73 HydrophobicContact CG1-CG 4.16Å; V39-Y73 HydrophobicContact CG2-CD1 4.41Å; V39-Y73 HydrophobicContact CG2-CD2 4.16Å; V39-Y73 HydrophobicContact CG2-CG 4Å; R42-Y73 WeakPolarHBondContact CB-OH 3.36Å; V50-Y73 HydrophobicContact CG2-CD1 3.49Å; V50-Y73 VanDerWaalsContact CG2-CD1 3.49Å; V50-Y73 HydrophobicContact CG2-CE1 3.32Å; Y73-Y80 HydrophobicContact CD2-CD1 4.35Å; Y73-F81 CarbonylContact C-O 3.49Å; Y73-F81 WeakPolarHBondContact CA-O 3.44Å |
| 74 | R | 85.4 | Confident | 75.5 | Confident | 63 Ų | 63 | 50.9 Ų | 50.9 | 24% | 0.238 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 135.2 | 172.7 | -165 | 166.9 | 178.6 | 168.8 | -1.3 | 109.7 | Y76 F81 L95 I98 | R74-Y76 HydrophobicContact CB-CD2 4.43Å; R74-Y76 HydrophobicContact CB-CE2 3.83Å; R74-Y76 VanDerWaalsContact CD-OH 3.29Å; R74-Y76 WeakPolarHBondContact CD-OH 3.37Å; R74-Y76 HydrophobicContact CG-CD2 4.22Å; R74-Y76 HydrophobicContact CG-CE2 3.51Å; R74-Y76 PolarHBondContact NE-OH 3.36Å; R74-F81 PolarHBondContact N-O 3.49Å; R74-F81 PolarHBondContact O-N 3.3Å; R74-L95 HydrophobicContact CB-CD1 4.11Å; R74-L95 HydrophobicContact CG-CD1 4.41Å; R74-I98 HydrophobicContact CB-CG2 4Å |
| 75 | R | 86.3 | Confident | 78.3 | Confident | 141 Ų | 141 | 43 Ų | 43 | 53% | 0.532 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.3 | 179.3 | -175.1 | -177.5 | 166.2 | -157.3 | -6.9 | 110.1 | A77 L79 Y80 | R75-A77 PolarHBondContact NE-O 3.46Å; R75-A77 PolarHBondContact NH2-O 3.44Å; R75-A77 VanDerWaalsContact NH2-O 3.12Å; R75-L79 WeakPolarHBondContact CA-O 3.4Å; R75-Y80 HydrophobicContact CB-CD1 3.95Å; R75-Y80 HydrophobicContact CB-CE1 3.93Å; R75-Y80 HydrophobicContact CG-CD1 4.02Å; R75-Y80 HydrophobicContact CG-CE1 3.75Å |
| 76 | Y | 87.2 | Confident | 80.9 | Confident | 50 Ų | 50 | 38.4 Ų | 38.4 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 114.4 | 171.1 | -69.7 | -93.2 | 0 | 0 | 0 | 108.8 | R74 G78 L79 F81 I98 H99 V102 | R74-Y76 HydrophobicContact CB-CD2 4.43Å; R74-Y76 HydrophobicContact CB-CE2 3.83Å; R74-Y76 VanDerWaalsContact CD-OH 3.29Å; R74-Y76 WeakPolarHBondContact CD-OH 3.37Å; R74-Y76 HydrophobicContact CG-CD2 4.22Å; R74-Y76 HydrophobicContact CG-CE2 3.51Å; R74-Y76 PolarHBondContact NE-OH 3.36Å; Y76-G78 PolarHBondContact O-N 3.42Å; Y76-G78 VanDerWaalsContact O-N 3.08Å; Y76-L79 PolarHBondContact N-O 3.38Å; Y76-L79 PolarHBondContact O-N 2.94Å; Y76-F81 AromaticContact CD2-CD2 3.77Å; Y76-F81 HydrophobicContact CD2-CD2 3.77Å; Y76-F81 HydrophobicContact CD2-CE2 4.11Å; Y76-F81 HydrophobicContact CG-CD2 4.49Å; Y76-F81 HydrophobicContact CG-CE2 4.43Å; Y76-I98 HydrophobicContact CE2-CG2 3.97Å; Y76-H99 AromaticContact CZ-ND1 3.91Å; Y76-H99 VanDerWaalsContact OH-CA 3.26Å; Y76-H99 WeakPolarHBondContact OH-CA 3.42Å; Y76-H99 WeakPolarHBondContact OH-CB 3.17Å; Y76-H99 PolarHBondContact OH-ND1 3.11Å; Y76-V102 HydrophobicContact CD1-CG1 3.83Å; Y76-V102 HydrophobicContact CD2-CG2 3.9Å; Y76-V102 HydrophobicContact CE1-CB 4.25Å; Y76-V102 HydrophobicContact CE1-CG1 3.9Å; Y76-V102 HydrophobicContact CE1-CG2 4.46Å; Y76-V102 HydrophobicContact CE2-CB 4.41Å; Y76-V102 HydrophobicContact CE2-CG2 3.81Å; Y76-V102 HydrophobicContact CG-CG1 4.16Å; Y76-V102 HydrophobicContact CG-CG2 4.28Å |
| 77 | A | 86.3 | Confident | 82.9 | Confident | 93 Ų | 93 | 35.8 Ų | 35.8 | 77% | 0.769 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | -111.7 | -173 | 0 | 0 | 0 | 0 | 0 | 112.9 | R75 | R75-A77 PolarHBondContact NE-O 3.46Å; R75-A77 PolarHBondContact NH2-O 3.44Å; R75-A77 VanDerWaalsContact NH2-O 3.12Å |
| 78 | G | 84.7 | Confident | 84.3 | Confident | 26 Ų | 26 | 41.2 Ų | 41.2 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -4.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N9 R10 Y76 | N9-G78 PolarHBondContact OD1-O 3.07Å; R10-G78 PolarHBondContact N-O 2.89Å; R10-G78 VanDerWaalsContact N-O 3.12Å; Y76-G78 PolarHBondContact O-N 3.42Å; Y76-G78 VanDerWaalsContact O-N 3.08Å |
| 79 | L | 89.9 | Confident | 85.1 | Confident | 12 Ų | 12 | 37.7 Ų | 37.7 | 6% | 0.063 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 143 | -174 | -63.8 | 176.1 | 0 | 0 | 0 | 111.9 | I7 Q8 N9 R15 R75 Y76 F81 E114 L117 | I7-L79 HydrophobicContact CG2-CB 4.47Å; I7-L79 HydrophobicContact CG2-CD1 4.47Å; I7-L79 HydrophobicContact CG2-CD2 4.44Å; Q8-L79 CarbonylContact O-C 3.57Å; Q8-L79 WeakPolarHBondContact O-CA 3.28Å; N9-L79 HydrophobicContact CB-CD2 4.01Å; R15-L79 HydrophobicContact CG-CD2 4.09Å; R75-L79 WeakPolarHBondContact CA-O 3.4Å; Y76-L79 PolarHBondContact N-O 3.38Å; Y76-L79 PolarHBondContact O-N 2.94Å; L79-F81 HydrophobicContact CB-CD2 4.31Å; L79-F81 HydrophobicContact CB-CE2 3.74Å; L79-F81 HydrophobicContact CD1-CE2 4.33Å; L79-F81 HydrophobicContact CD1-CZ 4.39Å; L79-E114 HydrophobicContact CD1-CB 4.13Å; L79-E114 HydrophobicContact CD1-CG 4.46Å; L79-E114 HydrophobicContact CD2-CB 4.34Å; L79-E114 HydrophobicContact CD2-CG 3.95Å; L79-E114 HydrophobicContact CG-CB 4.37Å; L79-L117 HydrophobicContact CD1-CD1 3.5Å; L79-L117 VanDerWaalsContact CD1-CD1 3.5Å |
| 80 | Y | 89.8 | Confident | 85.6 | Confident | 13 Ų | 13 | 41 Ų | 41 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.9 | 172.5 | -63.9 | -78.5 | 0 | 0 | 0 | 108.6 | I7 Q8 R10 V39 T40 Y73 R75 | I7-Y80 CarbonylContact C-O 3.51Å; I7-Y80 WeakPolarHBondContact CA-O 3.45Å; Q8-Y80 PolarHBondContact N-O 3.45Å; Q8-Y80 PolarHBondContact O-N 2.99Å; R10-Y80 HydrophobicContact CB-CE2 4.29Å; V39-Y80 HydrophobicContact CG1-CD1 3.14Å; V39-Y80 HydrophobicContact CG1-CD2 4.31Å; V39-Y80 HydrophobicContact CG1-CE1 3.64Å; V39-Y80 HydrophobicContact CG1-CG 3.52Å; T40-Y80 HydrophobicContact CG2-CE2 4.16Å; Y73-Y80 HydrophobicContact CD2-CD1 4.35Å; R75-Y80 HydrophobicContact CB-CD1 3.95Å; R75-Y80 HydrophobicContact CB-CE1 3.93Å; R75-Y80 HydrophobicContact CG-CD1 4.02Å; R75-Y80 HydrophobicContact CG-CE1 3.75Å |
| 81 | F | 91.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 5% | 0.053 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 119.9 | 173.8 | -68.5 | -106.3 | 0 | 0 | 0 | 107.3 | I7 Y73 R74 Y76 L79 I98 F101 V102 L105 | I7-F81 HydrophobicContact CD1-CD1 3.83Å; I7-F81 HydrophobicContact CD1-CE1 3.57Å; I7-F81 HydrophobicContact CD1-CZ 4.42Å; I7-F81 HydrophobicContact CG1-CD1 3.8Å; I7-F81 HydrophobicContact CG1-CE1 4Å; I7-F81 HydrophobicContact CG1-CG 4.48Å; I7-F81 HydrophobicContact CG2-CD1 4.42Å; I7-F81 HydrophobicContact CG2-CE1 4.24Å; I7-F81 HydrophobicContact CG2-CE2 4.47Å; I7-F81 HydrophobicContact CG2-CZ 4.25Å; Y73-F81 CarbonylContact C-O 3.49Å; Y73-F81 WeakPolarHBondContact CA-O 3.44Å; R74-F81 PolarHBondContact N-O 3.49Å; R74-F81 PolarHBondContact O-N 3.3Å; Y76-F81 AromaticContact CD2-CD2 3.77Å; Y76-F81 HydrophobicContact CD2-CD2 3.77Å; Y76-F81 HydrophobicContact CD2-CE2 4.11Å; Y76-F81 HydrophobicContact CG-CD2 4.49Å; Y76-F81 HydrophobicContact CG-CE2 4.43Å; L79-F81 HydrophobicContact CB-CD2 4.31Å; L79-F81 HydrophobicContact CB-CE2 3.74Å; L79-F81 HydrophobicContact CD1-CE2 4.33Å; L79-F81 HydrophobicContact CD1-CZ 4.39Å; F81-I98 HydrophobicContact CB-CG2 3.61Å; F81-I98 HydrophobicContact CG-CG2 4.26Å; F81-F101 HydrophobicContact CD1-CD1 4.04Å; F81-F101 AromaticContact CD1-CE1 3.95Å; F81-F101 HydrophobicContact CD1-CE1 3.95Å; F81-F101 HydrophobicContact CE1-CD1 4.05Å; F81-F101 AromaticContact CE1-CE1 3.75Å; F81-F101 HydrophobicContact CE1-CE1 3.75Å; F81-V102 HydrophobicContact CD1-CG2 3.99Å; F81-V102 HydrophobicContact CD2-CG2 4.28Å; F81-V102 HydrophobicContact CE1-CG2 3.73Å; F81-V102 HydrophobicContact CE2-CG2 4.06Å; F81-V102 HydrophobicContact CG-CG2 4.26Å; F81-V102 HydrophobicContact CZ-CG2 3.79Å; F81-L105 HydrophobicContact CE1-CD1 4.32Å |
| 82 | C | 89.4 | Confident | 85.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.8 | -173.7 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | I5 L6 V35 I71 I72 | I5-C82 WeakPolarHBondContact CA-O 3.47Å; L6-C82 HydrophobicContact CB-CB 4.29Å; L6-C82 PolarHBondContact N-O 3.22Å; L6-C82 PolarHBondContact O-N 3.15Å; V35-C82 HydrophobicContact CG1-CB 4.22Å; I71-C82 HydrophobicContact CG2-CB 4.25Å; I72-C82 WeakPolarHBondContact O-CA 3.49Å |
| 83 | I | 90 | Very high | 85.8 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.3 | 171.5 | -55.6 | -172.7 | 0 | 0 | 0 | 107.5 | I2 I5 I72 V85 Y94 I98 F132 | I2-I83 HydrophobicContact CB-CG2 4.37Å; I2-I83 HydrophobicContact CD1-CG2 4.38Å; I2-I83 HydrophobicContact CG1-CG2 3.99Å; I2-I83 HydrophobicContact CG2-CG2 3.58Å; I5-I83 HydrophobicContact CG1-CG1 4.25Å; I5-I83 HydrophobicContact CG1-CG2 4.38Å; I5-I83 HydrophobicContact CG2-CG1 4.46Å; I72-I83 PolarHBondContact N-O 3.42Å; I72-I83 PolarHBondContact O-N 2.84Å; I83-V85 HydrophobicContact CG2-CG1 3.59Å; I83-Y94 HydrophobicContact CG2-CD1 4.29Å; I83-I98 HydrophobicContact CD1-CD1 4.09Å; I83-I98 HydrophobicContact CD1-CG1 3.43Å; I83-I98 VanDerWaalsContact CD1-CG1 3.43Å; I83-I98 HydrophobicContact CG1-CD1 3.92Å; I83-I98 HydrophobicContact CG1-CG1 3.73Å; I83-F132 HydrophobicContact CD1-CE1 4.36Å; I83-F132 HydrophobicContact CD1-CZ 4.27Å |
| 84 | C | 87.9 | Confident | 85.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | I2 R3 F4 K70 I71 | I2-C84 CarbonylContact C-O 3.58Å; I2-C84 WeakPolarHBondContact CA-O 3.26Å; R3-C84 HydrophobicContact CB-CB 4.43Å; R3-C84 PolarHBondContact N-O 2.68Å; F4-C84 HydrophobicContact CD1-CB 3.75Å; F4-C84 HydrophobicContact CD2-CB 3.77Å; F4-C84 HydrophobicContact CE1-CB 3.43Å; F4-C84 VanDerWaalsContact CE1-CB 3.43Å; F4-C84 VanDerWaalsContact CE1-SG 3.58Å; F4-C84 HydrophobicContact CE2-CB 3.45Å; F4-C84 VanDerWaalsContact CE2-CB 3.45Å; F4-C84 HydrophobicContact CG-CB 3.93Å; F4-C84 HydrophobicContact CZ-CB 3.29Å; F4-C84 PolarHBondContact O-N 2.95Å; K70-C84 WeakPolarHBondContact O-CA 3.26Å; I71-C84 HydrophobicContact CG1-CB 4.38Å |
| 85 | V | 86.3 | Confident | 85.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 169.6 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 110.7 | M1 I2 K70 I72 I83 D89 Y94 | M1-V85 WeakPolarHBondContact O-CA 3.44Å; I2-V85 HydrophobicContact CB-CG1 4.5Å; I2-V85 HydrophobicContact CG1-CG1 4.05Å; K70-V85 HydrophobicContact CD-CG2 3.91Å; K70-V85 HydrophobicContact CG-CG2 3.38Å; K70-V85 PolarHBondContact N-O 3.29Å; K70-V85 PolarHBondContact O-N 3.48Å; I72-V85 HydrophobicContact CD1-CG2 3.62Å; I72-V85 HydrophobicContact CG1-CG2 4.31Å; I83-V85 HydrophobicContact CG2-CG1 3.59Å; V85-D89 HydrophobicContact CB-CB 4.27Å; V85-D89 HydrophobicContact CG2-CB 4.13Å; V85-Y94 HydrophobicContact CB-CD2 4.4Å; V85-Y94 HydrophobicContact CB-CE2 4.26Å; V85-Y94 HydrophobicContact CG1-CD1 3.94Å; V85-Y94 HydrophobicContact CG1-CD2 3.84Å; V85-Y94 HydrophobicContact CG1-CE1 3.91Å; V85-Y94 HydrophobicContact CG1-CE2 3.88Å; V85-Y94 HydrophobicContact CG1-CG 3.89Å; V85-Y94 HydrophobicContact CG2-CD2 4.22Å; V85-Y94 HydrophobicContact CG2-CE2 4.43Å |
| 86 | D | 84.9 | Confident | 86 | Confident | 32 Ų | 32 | 44.8 Ų | 44.8 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 153.2 | 178.5 | -65.4 | -42.5 | 0 | 0 | 0 | 112.1 | M1 R3 F69 K70 N88 D89 | M1-D86 WeakPolarHBondContact CG-OD2 3.09Å; M1-D86 PolarHBondContact N-OD2 3.36Å; M1-D86 PolarHBondContact O-N 3.49Å; R3-D86 IonicContact CZ-OD1 3.22Å; R3-D86 VanDerWaalsContact CZ-OD1 3.22Å; R3-D86 IonicContact NE-OD1 3.92Å; R3-D86 PolarHBondContact NE-OD1 2.99Å; R3-D86 IonicContact NE-OD2 2.84Å; R3-D86 IonicContact NH2-OD1 2.72Å; R3-D86 PolarHBondContact NH2-OD1 3.22Å; R3-D86 IonicContact NH2-OD2 3.52Å; F69-D86 WeakPolarHBondContact CD1-OD1 3.35Å; F69-D86 VanDerWaalsContact CE1-OD1 3.3Å; F69-D86 WeakPolarHBondContact CE1-OD1 3.46Å; K70-D86 WeakPolarHBondContact CE-O 3.4Å; K70-D86 PolarHBondContact NZ-O 3.06Å; D86-N88 PolarHBondContact O-N 3.1Å; D86-D89 PolarHBondContact N-OD2 2.86Å; D86-D89 WeakPolarHBondContact O-CB 3.44Å; D86-D89 PolarHBondContact O-N 3.04Å; D86-D89 VanDerWaalsContact O-N 3.11Å |
| 87 | V | 79.3 | Confident | 86.2 | Confident | 73 Ų | 73 | 42.9 Ų | 42.9 | 44% | 0.442 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -31.5 | -177.2 | 168.9 | 0 | 0 | 0 | 0 | 113.8 | N68 K70 D89 | N68-V87 VanDerWaalsContact C-CG2 3.48Å; N68-V87 HydrophobicContact CB-CG2 3.95Å; N68-V87 VanDerWaalsContact O-CG2 3.23Å; N68-V87 WeakPolarHBondContact O-CG2 3.42Å; K70-V87 PolarHBondContact NZ-O 2.94Å; V87-D89 VanDerWaalsContact C-N 3.31Å; V87-D89 PolarHBondContact O-N 3.41Å |
| 88 | N | 81.5 | Confident | 86.5 | Confident | 160 Ų | 160 | 38.6 Ų | 38.6 | 86% | 0.856 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.6 | -176.7 | -62.8 | -22 | 0 | 0 | 0 | 114.8 | D86 | D86-N88 PolarHBondContact O-N 3.1Š|
| 89 | D | 81.1 | Confident | 86.8 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 22% | 0.219 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -73.2 | 167.5 | -174 | -92.6 | -48.4 | 0 | 0 | 0 | 114.4 | M1 K70 V85 D86 V87 N91 Y94 | M1-D89 PolarHBondContact N-OD2 3.08Å; K70-D89 VanDerWaalsContact NZ-C 3.28Å; K70-D89 PolarHBondContact NZ-O 3.05Å; V85-D89 HydrophobicContact CB-CB 4.27Å; V85-D89 HydrophobicContact CG2-CB 4.13Å; D86-D89 PolarHBondContact N-OD2 2.86Å; D86-D89 WeakPolarHBondContact O-CB 3.44Å; D86-D89 PolarHBondContact O-N 3.04Å; D86-D89 VanDerWaalsContact O-N 3.11Å; V87-D89 VanDerWaalsContact C-N 3.31Å; V87-D89 PolarHBondContact O-N 3.41Å; D89-N91 PolarHBondContact O-N 3.01Å; D89-Y94 HydrophobicContact CB-CD2 4.38Å; D89-Y94 HydrophobicContact CB-CE2 3.65Å; D89-Y94 PolarHBondContact OD1-OH 3.34Å |
| 90 | N | 84.9 | Confident | 87 | Confident | 99 Ų | 99 | 40.5 Ų | 40.5 | 53% | 0.529 | 22% | 0.219 | S | C | . | . | trans | -84.4 | 112.9 | 175.7 | -174.2 | -22.3 | 0 | 0 | 0 | 112.1 | L92 A93 Y94 | N90-L92 PolarHBondContact O-N 3.39Å; N90-L92 PolarHBondContact OD1-N 3.45Å; N90-A93 HydrophobicContact CB-CB 3.85Å; N90-A93 PolarHBondContact O-N 3.34Å; N90-A93 PolarHBondContact OD1-N 2.97Å; N90-Y94 WeakPolarHBondContact O-CD2 3.48Å; N90-Y94 PolarHBondContact O-N 3.2Å | ||
| 91 | N | 79.7 | Confident | 87.2 | Confident | 48 Ų | 48 | 40.1 Ų | 40.1 | 26% | 0.257 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.9 | -42.1 | -177.6 | -61.6 | -11 | 0 | 0 | 0 | 113.9 | F49 K70 I72 D89 L95 | F49-N91 HydrophobicContact CD1-CB 3.79Å; F49-N91 HydrophobicContact CE1-CB 3.49Å; F49-N91 VanDerWaalsContact CE1-CB 3.49Å; F49-N91 HydrophobicContact CZ-CB 4.25Å; K70-N91 WeakPolarHBondContact CD-OD1 3.33Å; K70-N91 WeakPolarHBondContact CE-OD1 3.37Å; K70-N91 PolarHBondContact NZ-OD1 3.46Å; I72-N91 HydrophobicContact CD1-CB 4.37Å; D89-N91 PolarHBondContact O-N 3.01Å; N91-L95 PolarHBondContact O-N 3.22Å |
| 92 | L | 83.1 | Confident | 87.2 | Confident | 107 Ų | 107 | 40.4 Ų | 40.4 | 56% | 0.56 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -72.4 | -33.9 | -176.9 | -69.3 | 171.3 | 0 | 0 | 0 | 111.2 | F49 N90 Y94 L95 E96 | F49-L92 HydrophobicContact CZ-CD2 3.82Å; F49-L92 HydrophobicContact CZ-CG 4.5Å; N90-L92 PolarHBondContact O-N 3.39Å; N90-L92 PolarHBondContact OD1-N 3.45Å; L92-Y94 PolarHBondContact O-N 3.29Å; L92-L95 PolarHBondContact O-N 2.75Å; L92-E96 PolarHBondContact O-N 3.34Å |
| 93 | A | 86.1 | Confident | 87.4 | Confident | 42 Ų | 42 | 44.2 Ų | 44.2 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N90 E96 A97 | N90-A93 HydrophobicContact CB-CB 3.85Å; N90-A93 PolarHBondContact O-N 3.34Å; N90-A93 PolarHBondContact OD1-N 2.97Å; A93-E96 PolarHBondContact O-N 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 3.47Å |
| 94 | Y | 87.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.3 | -29.6 | 177.3 | -68.5 | -73.5 | 0 | 0 | 0 | 113 | I2 I72 I83 V85 D89 N90 L92 E96 A97 I98 I137 | I2-Y94 HydrophobicContact CD1-CD1 4.31Å; I2-Y94 HydrophobicContact CD1-CE1 3.73Å; I2-Y94 HydrophobicContact CG1-CD1 4.13Å; I2-Y94 HydrophobicContact CG1-CE1 3.4Å; I2-Y94 VanDerWaalsContact CG1-CE1 3.4Å; I72-Y94 HydrophobicContact CD1-CD2 3.99Å; I72-Y94 HydrophobicContact CD1-CG 4.12Å; I83-Y94 HydrophobicContact CG2-CD1 4.29Å; V85-Y94 HydrophobicContact CB-CD2 4.4Å; V85-Y94 HydrophobicContact CB-CE2 4.26Å; V85-Y94 HydrophobicContact CG1-CD1 3.94Å; V85-Y94 HydrophobicContact CG1-CD2 3.84Å; V85-Y94 HydrophobicContact CG1-CE1 3.91Å; V85-Y94 HydrophobicContact CG1-CE2 3.88Å; V85-Y94 HydrophobicContact CG1-CG 3.89Å; V85-Y94 HydrophobicContact CG2-CD2 4.22Å; V85-Y94 HydrophobicContact CG2-CE2 4.43Å; D89-Y94 HydrophobicContact CB-CD2 4.38Å; D89-Y94 HydrophobicContact CB-CE2 3.65Å; D89-Y94 PolarHBondContact OD1-OH 3.34Å; N90-Y94 WeakPolarHBondContact O-CD2 3.48Å; N90-Y94 PolarHBondContact O-N 3.2Å; L92-Y94 PolarHBondContact O-N 3.29Å; Y94-E96 VanDerWaalsContact C-N 3.34Å; Y94-A97 PolarHBondContact O-N 2.88Å; Y94-I98 WeakPolarHBondContact O-CG1 3.43Å; Y94-I98 PolarHBondContact O-N 3.11Å; Y94-I137 HydrophobicContact CD1-CD1 4.33Å; Y94-I137 HydrophobicContact CE1-CD1 4.2Å; Y94-I137 HydrophobicContact CE1-CG1 4.23Å |
| 95 | L | 85.9 | Confident | 87.8 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.6 | -40.6 | 173.7 | -172 | 68 | 0 | 0 | 0 | 111.6 | N48 F49 I72 R74 N91 L92 H99 | N48-L95 HydrophobicContact CB-CD1 4.07Å; N48-L95 HydrophobicContact CB-CD2 4.33Å; F49-L95 HydrophobicContact CZ-CD2 4.34Å; I72-L95 HydrophobicContact CG2-CB 4.09Å; I72-L95 HydrophobicContact CG2-CD1 4.14Å; R74-L95 HydrophobicContact CB-CD1 4.11Å; R74-L95 HydrophobicContact CG-CD1 4.41Å; N91-L95 PolarHBondContact O-N 3.22Å; L92-L95 PolarHBondContact O-N 2.75Å; L95-H99 PolarHBondContact O-N 3.45Å |
| 96 | E | 89.9 | Confident | 88.1 | Confident | 106 Ų | 106 | 47.2 Ų | 47.2 | 50% | 0.495 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 172.5 | -68.8 | -51.9 | 128.5 | 0 | 0 | 112 | L92 A93 Y94 I98 H99 N100 | L92-E96 PolarHBondContact O-N 3.34Å; A93-E96 PolarHBondContact O-N 3.31Å; Y94-E96 VanDerWaalsContact C-N 3.34Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.15Å; E96-H99 WeakPolarHBondContact O-CA 3.48Å; E96-H99 WeakPolarHBondContact O-CB 3.28Å; E96-H99 PolarHBondContact O-N 2.83Å; E96-N100 WeakPolarHBondContact O-CB 3.48Å; E96-N100 PolarHBondContact O-N 2.85Å |
| 97 | A | 91.2 | Very high | 88.5 | Confident | 11 Ų | 11 | 50.8 Ų | 50.8 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A93 Y94 H99 N100 F101 F132 I137 | A93-A97 WeakPolarHBondContact O-CB 3.33Å; A93-A97 PolarHBondContact O-N 3.47Å; Y94-A97 PolarHBondContact O-N 2.88Å; A97-H99 VanDerWaalsContact C-N 3.3Å; A97-H99 PolarHBondContact O-N 3.41Å; A97-N100 PolarHBondContact O-N 2.9Å; A97-F101 WeakPolarHBondContact O-CB 3.23Å; A97-F101 PolarHBondContact O-N 2.85Å; A97-F132 HydrophobicContact CB-CE1 4.04Å; A97-F132 HydrophobicContact CB-CZ 4.15Å; A97-I137 HydrophobicContact CB-CD1 3.94Å |
| 98 | I | 91.4 | Very high | 89 | Confident | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 171.8 | -66.7 | 166.1 | 0 | 0 | 0 | 110.2 | I72 R74 Y76 F81 I83 Y94 E96 F101 V102 | I72-I98 HydrophobicContact CG2-CD1 4.22Å; R74-I98 HydrophobicContact CB-CG2 4Å; Y76-I98 HydrophobicContact CE2-CG2 3.97Å; F81-I98 HydrophobicContact CB-CG2 3.61Å; F81-I98 HydrophobicContact CG-CG2 4.26Å; I83-I98 HydrophobicContact CD1-CD1 4.09Å; I83-I98 HydrophobicContact CD1-CG1 3.43Å; I83-I98 VanDerWaalsContact CD1-CG1 3.43Å; I83-I98 HydrophobicContact CG1-CD1 3.92Å; I83-I98 HydrophobicContact CG1-CG1 3.73Å; Y94-I98 WeakPolarHBondContact O-CG1 3.43Å; Y94-I98 PolarHBondContact O-N 3.11Å; E96-I98 VanDerWaalsContact C-N 3.32Å; E96-I98 PolarHBondContact O-N 3.15Å; I98-F101 PolarHBondContact O-N 2.9Å; I98-V102 WeakPolarHBondContact O-CG2 3.15Å; I98-V102 PolarHBondContact O-N 3.28Å |
| 99 | H | 91.3 | Very high | 89.3 | Confident | 51 Ų | 51 | 42.9 Ų | 42.9 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -50.4 | 179 | -167.8 | 77.9 | 0 | 0 | 0 | 112 | Y76 L95 E96 A97 F101 V102 E103 | Y76-H99 AromaticContact CZ-ND1 3.91Å; Y76-H99 VanDerWaalsContact OH-CA 3.26Å; Y76-H99 WeakPolarHBondContact OH-CA 3.42Å; Y76-H99 WeakPolarHBondContact OH-CB 3.17Å; Y76-H99 PolarHBondContact OH-ND1 3.11Å; L95-H99 PolarHBondContact O-N 3.45Å; E96-H99 WeakPolarHBondContact O-CA 3.48Å; E96-H99 WeakPolarHBondContact O-CB 3.28Å; E96-H99 PolarHBondContact O-N 2.83Å; A97-H99 VanDerWaalsContact C-N 3.3Å; A97-H99 PolarHBondContact O-N 3.41Å; H99-F101 VanDerWaalsContact C-N 3.26Å; H99-F101 PolarHBondContact O-N 3.4Å; H99-V102 PolarHBondContact O-N 3.08Å; H99-V102 VanDerWaalsContact O-N 3.1Å; H99-E103 IonicContact CD2-OE1 3.16Å; H99-E103 IonicContact CD2-OE2 3.53Å; H99-E103 IonicContact NE2-OE1 3.39Å; H99-E103 PolarHBondContact NE2-OE1 3.06Å; H99-E103 PolarHBondContact O-N 3.43Å |
| 100 | N | 93.5 | Very high | 89.7 | Confident | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.139 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -41.9 | 176.5 | -164.8 | 40.2 | 0 | 0 | 0 | 111.7 | E96 A97 E103 V104 M131 T140 Q142 | E96-N100 WeakPolarHBondContact O-CB 3.48Å; E96-N100 PolarHBondContact O-N 2.85Å; A97-N100 PolarHBondContact O-N 2.9Å; N100-E103 PolarHBondContact O-N 3.18Å; N100-V104 WeakPolarHBondContact O-CG2 3.3Å; N100-V104 PolarHBondContact O-N 2.91Å; N100-M131 HydrophobicContact CB-CE 4.21Å; N100-M131 WeakPolarHBondContact ND2-CE 3.42Å; N100-T140 PolarHBondContact ND2-O 3.33Å; N100-Q142 WeakPolarHBondContact OD1-CG 3.46Å; N100-Q142 PolarHBondContact OD1-NE2 3.29Å |
| 101 | F | 94.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 176.5 | 173.7 | -113.6 | 0 | 0 | 0 | 112.7 | I7 F81 A97 I98 H99 V104 L105 V124 V127 V128 M131 F132 | I7-F101 HydrophobicContact CD1-CE1 3.98Å; I7-F101 HydrophobicContact CD1-CZ 4.43Å; F81-F101 HydrophobicContact CD1-CD1 4.04Å; F81-F101 AromaticContact CD1-CE1 3.95Å; F81-F101 HydrophobicContact CD1-CE1 3.95Å; F81-F101 HydrophobicContact CE1-CD1 4.05Å; F81-F101 AromaticContact CE1-CE1 3.75Å; F81-F101 HydrophobicContact CE1-CE1 3.75Å; A97-F101 WeakPolarHBondContact O-CB 3.23Å; A97-F101 PolarHBondContact O-N 2.85Å; I98-F101 PolarHBondContact O-N 2.9Å; H99-F101 VanDerWaalsContact C-N 3.26Å; H99-F101 PolarHBondContact O-N 3.4Å; F101-V104 PolarHBondContact O-N 3.42Å; F101-L105 HydrophobicContact CD1-CD1 4.04Å; F101-L105 HydrophobicContact CE1-CD1 3.52Å; F101-L105 HydrophobicContact CE1-CG 4.45Å; F101-L105 HydrophobicContact CE2-CD1 4.04Å; F101-L105 HydrophobicContact CE2-CD2 4.42Å; F101-L105 HydrophobicContact CE2-CG 4.14Å; F101-L105 HydrophobicContact CZ-CD1 3.52Å; F101-L105 HydrophobicContact CZ-CD2 4.41Å; F101-L105 HydrophobicContact CZ-CG 4.11Å; F101-L105 WeakPolarHBondContact O-CG 2.94Å; F101-L105 PolarHBondContact O-N 3.35Å; F101-V124 HydrophobicContact CZ-CG1 4.36Å; F101-V127 HydrophobicContact CD2-CG1 4.23Å; F101-V127 HydrophobicContact CE2-CB 4.43Å; F101-V127 HydrophobicContact CE2-CG1 3.84Å; F101-V128 HydrophobicContact CE1-CG2 4.45Å; F101-V128 HydrophobicContact CE2-CB 4.47Å; F101-V128 HydrophobicContact CE2-CG2 3.49Å; F101-V128 VanDerWaalsContact CE2-CG2 3.49Å; F101-V128 HydrophobicContact CZ-CG2 3.41Å; F101-V128 VanDerWaalsContact CZ-CG2 3.41Å; F101-M131 HydrophobicContact CB-CE 4.11Å; F101-M131 HydrophobicContact CB-SD 4.12Å; F101-M131 HydrophobicContact CD2-SD 3.7Å; F101-M131 HydrophobicContact CG-SD 4.41Å; F101-F132 HydrophobicContact CB-CE2 4.14Å; F101-F132 HydrophobicContact CB-CZ 4.42Å; F101-F132 HydrophobicContact CD2-CE2 4.13Å; F101-F132 HydrophobicContact CG-CE2 4.16Å |
| 102 | V | 93.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 11% | 0.109 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | Y76 F81 I98 H99 L105 N106 | Y76-V102 HydrophobicContact CD1-CG1 3.83Å; Y76-V102 HydrophobicContact CD2-CG2 3.9Å; Y76-V102 HydrophobicContact CE1-CB 4.25Å; Y76-V102 HydrophobicContact CE1-CG1 3.9Å; Y76-V102 HydrophobicContact CE1-CG2 4.46Å; Y76-V102 HydrophobicContact CE2-CB 4.41Å; Y76-V102 HydrophobicContact CE2-CG2 3.81Å; Y76-V102 HydrophobicContact CG-CG1 4.16Å; Y76-V102 HydrophobicContact CG-CG2 4.28Å; F81-V102 HydrophobicContact CD1-CG2 3.99Å; F81-V102 HydrophobicContact CD2-CG2 4.28Å; F81-V102 HydrophobicContact CE1-CG2 3.73Å; F81-V102 HydrophobicContact CE2-CG2 4.06Å; F81-V102 HydrophobicContact CG-CG2 4.26Å; F81-V102 HydrophobicContact CZ-CG2 3.79Å; I98-V102 WeakPolarHBondContact O-CG2 3.15Å; I98-V102 PolarHBondContact O-N 3.28Å; H99-V102 PolarHBondContact O-N 3.08Å; H99-V102 VanDerWaalsContact O-N 3.1Å; V102-L105 PolarHBondContact O-N 2.9Å; V102-N106 WeakPolarHBondContact O-CB 3.43Å; V102-N106 PolarHBondContact O-N 2.97Å |
| 103 | E | 93.4 | Very high | 90.5 | Very high | 79 Ų | 79 | 47.1 Ų | 47.1 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 174.9 | -72 | -171.3 | 145.5 | 0 | 0 | 112 | H99 N100 L105 N106 E107 Q142 | H99-E103 IonicContact CD2-OE1 3.16Å; H99-E103 IonicContact CD2-OE2 3.53Å; H99-E103 IonicContact NE2-OE1 3.39Å; H99-E103 PolarHBondContact NE2-OE1 3.06Å; H99-E103 PolarHBondContact O-N 3.43Å; N100-E103 PolarHBondContact O-N 3.18Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.91Å; E103-N106 WeakPolarHBondContact O-CB 2.88Å; E103-N106 PolarHBondContact O-N 2.9Å; E103-N106 VanDerWaalsContact O-N 3.08Å; E103-E107 PolarHBondContact O-N 3.25Å; E103-Q142 PolarHBondContact OE2-NE2 3.4Å |
| 104 | V | 93.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 174.4 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | N100 F101 N106 E107 Y108 V127 M131 Q142 V145 L146 L149 | N100-V104 WeakPolarHBondContact O-CG2 3.3Å; N100-V104 PolarHBondContact O-N 2.91Å; F101-V104 PolarHBondContact O-N 3.42Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 2.82Å; V104-E107 PolarHBondContact O-N 3.06Å; V104-Y108 WeakPolarHBondContact O-CB 3.32Å; V104-Y108 PolarHBondContact O-N 3.22Å; V104-V127 HydrophobicContact CG1-CG1 3.9Å; V104-M131 HydrophobicContact CB-SD 3.96Å; V104-M131 HydrophobicContact CG1-SD 4.14Å; V104-M131 HydrophobicContact CG2-CE 4.19Å; V104-M131 HydrophobicContact CG2-SD 3.88Å; V104-Q142 HydrophobicContact CG2-CB 3.93Å; V104-Q142 HydrophobicContact CG2-CG 3.78Å; V104-V145 HydrophobicContact CG1-CB 4.39Å; V104-V145 HydrophobicContact CG1-CG1 3.73Å; V104-L146 HydrophobicContact CG1-CD2 4.29Å; V104-L149 HydrophobicContact CG1-CD1 4.42Å |
| 105 | L | 92.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 175 | -74.1 | 174 | 0 | 0 | 0 | 111.9 | F81 F101 V102 E103 Y108 F109 V112 L117 V124 V127 | F81-L105 HydrophobicContact CE1-CD1 4.32Å; F101-L105 HydrophobicContact CD1-CD1 4.04Å; F101-L105 HydrophobicContact CE1-CD1 3.52Å; F101-L105 HydrophobicContact CE1-CG 4.45Å; F101-L105 HydrophobicContact CE2-CD1 4.04Å; F101-L105 HydrophobicContact CE2-CD2 4.42Å; F101-L105 HydrophobicContact CE2-CG 4.14Å; F101-L105 HydrophobicContact CZ-CD1 3.52Å; F101-L105 HydrophobicContact CZ-CD2 4.41Å; F101-L105 HydrophobicContact CZ-CG 4.11Å; F101-L105 WeakPolarHBondContact O-CG 2.94Å; F101-L105 PolarHBondContact O-N 3.35Å; V102-L105 PolarHBondContact O-N 2.9Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 2.91Å; L105-Y108 PolarHBondContact O-N 2.58Å; L105-F109 HydrophobicContact CD2-CD2 4.19Å; L105-F109 HydrophobicContact CD2-CE2 3.82Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 WeakPolarHBondContact O-CD2 3.29Å; L105-F109 PolarHBondContact O-N 2.71Å; L105-V112 HydrophobicContact CB-CG2 4.49Å; L105-L117 HydrophobicContact CD1-CD2 4.21Å; L105-V124 HydrophobicContact CD2-CG1 4.28Å; L105-V127 HydrophobicContact CD2-CB 4.27Å; L105-V127 HydrophobicContact CD2-CG1 4.03Å; L105-V127 HydrophobicContact CD2-CG2 4.22Å; L105-V127 HydrophobicContact CG-CG1 4.49Å |
| 106 | N | 92.4 | Very high | 91 | Very high | 69 Ų | 69 | 53.7 Ų | 53.7 | 37% | 0.369 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | -179.6 | -172.1 | 59.1 | 0 | 0 | 0 | 112.4 | V102 E103 V104 H110 N111 V112 | V102-N106 WeakPolarHBondContact O-CB 3.43Å; V102-N106 PolarHBondContact O-N 2.97Å; E103-N106 WeakPolarHBondContact O-CB 2.88Å; E103-N106 PolarHBondContact O-N 2.9Å; E103-N106 VanDerWaalsContact O-N 3.08Å; V104-N106 VanDerWaalsContact C-N 3.32Å; V104-N106 PolarHBondContact O-N 2.82Å; N106-H110 WeakPolarHBondContact O-CA 3.14Å; N106-H110 PolarHBondContact O-N 2.82Å; N106-N111 PolarHBondContact O-N 3.4Å; N106-N111 VanDerWaalsContact OD1-CA 3.3Å; N106-N111 WeakPolarHBondContact OD1-CA 3.5Å; N106-V112 HydrophobicContact CB-CG1 4.01Å; N106-V112 PolarHBondContact OD1-N 3.18Å |
| 107 | E | 92.3 | Very high | 91 | Very high | 106 Ų | 106 | 49 Ų | 49 | 50% | 0.495 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.4 | -38 | 176.1 | -166.3 | 168.3 | 174 | 0 | 0 | 111.6 | E103 V104 H110 L146 | E103-E107 PolarHBondContact O-N 3.25Å; V104-E107 PolarHBondContact O-N 3.06Å; E107-H110 PolarHBondContact O-ND1 2.79Å; E107-L146 HydrophobicContact CB-CD1 3.94Å; E107-L146 HydrophobicContact CB-CD2 4.24Å; E107-L146 HydrophobicContact CG-CD1 3.61Å; E107-L146 HydrophobicContact CG-CD2 4.39Å; E107-L146 WeakPolarHBondContact OE2-CD1 3.32Å |
| 108 | Y | 90.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 51.2 Ų | 51.2 | 13% | 0.129 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 178.6 | -175.4 | -109.9 | 0 | 0 | 0 | 113.7 | V104 L105 K123 V127 L146 L149 Q153 | V104-Y108 WeakPolarHBondContact O-CB 3.32Å; V104-Y108 PolarHBondContact O-N 3.22Å; L105-Y108 PolarHBondContact O-N 2.58Å; Y108-K123 HydrophobicContact CE1-CB 4.2Å; Y108-K123 HydrophobicContact CE1-CD 4.09Å; Y108-V127 HydrophobicContact CD1-CG2 4.36Å; Y108-L146 HydrophobicContact CD2-CD2 4.39Å; Y108-L149 HydrophobicContact CD2-CB 4.11Å; Y108-L149 HydrophobicContact CD2-CD1 3.97Å; Y108-L149 HydrophobicContact CE2-CB 3.82Å; Y108-L149 HydrophobicContact CE2-CD1 4.32Å; Y108-L149 HydrophobicContact CG-CD1 4.27Å; Y108-Q153 VanDerWaalsContact OH-CD 3.31Å; Y108-Q153 PolarHBondContact OH-OE1 3.28Å |
| 109 | F | 89.1 | Confident | 90.9 | Very high | 34 Ų | 34 | 57.6 Ų | 57.6 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -95.2 | -4.8 | -179.1 | -71.8 | -71.5 | 0 | 0 | 0 | 114.4 | L105 V112 D116 N120 K123 V124 | L105-F109 HydrophobicContact CD2-CD2 4.19Å; L105-F109 HydrophobicContact CD2-CE2 3.82Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 WeakPolarHBondContact O-CD2 3.29Å; L105-F109 PolarHBondContact O-N 2.71Å; F109-V112 HydrophobicContact CB-CB 4.08Å; F109-V112 HydrophobicContact CB-CG2 4.23Å; F109-V112 HydrophobicContact CD2-CG2 4.01Å; F109-V112 HydrophobicContact CG-CG2 4.39Å; F109-D116 HydrophobicContact CD1-CB 4.22Å; F109-D116 HydrophobicContact CG-CB 4.4Å; F109-N120 HydrophobicContact CE1-CB 3.7Å; F109-N120 HydrophobicContact CZ-CB 3.9Å; F109-K123 HydrophobicContact CZ-CB 4.18Å; F109-V124 HydrophobicContact CE2-CG2 4.13Å; F109-V124 HydrophobicContact CZ-CG2 4.15Å |
| 110 | H | 88.2 | Confident | 90.9 | Very high | 155 Ų | 155 | 57 Ų | 57 | 72% | 0.718 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 79.4 | -175.6 | -56.4 | -56.8 | 0 | 0 | 0 | 113.7 | N106 E107 | N106-H110 WeakPolarHBondContact O-CA 3.14Å; N106-H110 PolarHBondContact O-N 2.82Å; E107-H110 PolarHBondContact O-ND1 2.79Å |
| 111 | N | 86.7 | Confident | 90.7 | Very high | 136 Ų | 136 | 61.2 Ų | 61.2 | 73% | 0.727 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 72.9 | 68.7 | -170.3 | -57 | -44 | 0 | 0 | 0 | 112.6 | N106 C113 | N106-N111 PolarHBondContact O-N 3.4Å; N106-N111 VanDerWaalsContact OD1-CA 3.3Å; N106-N111 WeakPolarHBondContact OD1-CA 3.5Å; N111-C113 PolarHBondContact O-N 3.25Å |
| 112 | V | 88.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 66.2 Ų | 66.2 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | trans | -57.9 | 131.6 | -177.4 | 65.8 | 0 | 0 | 0 | 0 | 111.9 | L105 N106 F109 L117 | L105-V112 HydrophobicContact CB-CG2 4.49Å; N106-V112 HydrophobicContact CB-CG1 4.01Å; N106-V112 PolarHBondContact OD1-N 3.18Å; F109-V112 HydrophobicContact CB-CB 4.08Å; F109-V112 HydrophobicContact CB-CG2 4.23Å; F109-V112 HydrophobicContact CD2-CG2 4.01Å; F109-V112 HydrophobicContact CG-CG2 4.39Å; V112-L117 HydrophobicContact CG2-CD1 4.15Å; V112-L117 HydrophobicContact CG2-CG 4.35Å | ||
| 113 | C | 89.1 | Confident | 90.5 | Very high | 57 Ų | 57 | 67.2 Ų | 67.2 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | trans | -118.9 | 165 | 169 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | N111 L115 D116 L117 | N111-C113 PolarHBondContact O-N 3.25Å; C113-L115 PolarHBondContact O-N 3.28Å; C113-L115 VanDerWaalsContact SG-CB 3.54Å; C113-D116 PolarHBondContact N-OD2 3.36Å; C113-D116 WeakPolarHBondContact O-CB 3.27Å; C113-D116 PolarHBondContact O-N 3.09Å; C113-D116 VanDerWaalsContact O-N 3.08Å; C113-D116 VanDerWaalsContact SG-CG 3.51Å; C113-D116 PolarHBondContact SG-OD2 3.04Å; C113-L117 PolarHBondContact O-N 3.37Å | ||
| 114 | E | 88.6 | Confident | 90.4 | Very high | 51 Ų | 51 | 63.5 Ų | 63.5 | 24% | 0.238 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.1 | -34.6 | 177.3 | 173.9 | 178 | 179.3 | 0 | 0 | 112.2 | N9 R15 L79 D116 L117 V118 | N9-E114 PolarHBondContact ND2-OE1 2.84Å; N9-E114 PolarHBondContact ND2-OE2 2.95Å; R15-E114 IonicContact CZ-OE1 3.2Å; R15-E114 IonicContact NE-OE1 3.76Å; R15-E114 PolarHBondContact NE-OE1 3.02Å; R15-E114 IonicContact NH2-OE1 2.75Å; R15-E114 PolarHBondContact NH2-OE1 2.93Å; L79-E114 HydrophobicContact CD1-CB 4.13Å; L79-E114 HydrophobicContact CD1-CG 4.46Å; L79-E114 HydrophobicContact CD2-CB 4.34Å; L79-E114 HydrophobicContact CD2-CG 3.95Å; L79-E114 HydrophobicContact CG-CB 4.37Å; E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.88Å; E114-L117 WeakPolarHBondContact O-CB 3.27Å; E114-L117 PolarHBondContact O-N 3.17Å; E114-V118 WeakPolarHBondContact O-CG2 3.43Å; E114-V118 PolarHBondContact O-N 2.84Å; E114-V118 VanDerWaalsContact O-N 3.15Å |
| 115 | L | 90.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | -179.9 | -150.9 | 98.3 | 0 | 0 | 0 | 110.9 | C113 L117 V118 F119 | C113-L115 PolarHBondContact O-N 3.28Å; C113-L115 VanDerWaalsContact SG-CB 3.54Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.21Å; L115-V118 WeakPolarHBondContact O-CB 3.43Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-V118 VanDerWaalsContact O-N 3.11Å; L115-F119 HydrophobicContact CD1-CE2 4.15Å; L115-F119 HydrophobicContact CD2-CD2 3.67Å; L115-F119 HydrophobicContact CD2-CE2 3.42Å; L115-F119 VanDerWaalsContact CD2-CE2 3.42Å; L115-F119 HydrophobicContact CG-CD2 3.63Å; L115-F119 HydrophobicContact CG-CE2 3.49Å; L115-F119 VanDerWaalsContact CG-CE2 3.49Å; L115-F119 VanDerWaalsContact O-CD2 3.28Å; L115-F119 WeakPolarHBondContact O-CD2 3.39Å; L115-F119 PolarHBondContact O-N 3.47Å |
| 116 | D | 90.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 69.6 Ų | 69.6 | 23% | 0.225 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.8 | -58.3 | -42.8 | 0 | 0 | 0 | 111.5 | F109 C113 E114 V118 F119 N120 | F109-D116 HydrophobicContact CD1-CB 4.22Å; F109-D116 HydrophobicContact CG-CB 4.4Å; C113-D116 PolarHBondContact N-OD2 3.36Å; C113-D116 WeakPolarHBondContact O-CB 3.27Å; C113-D116 PolarHBondContact O-N 3.09Å; C113-D116 VanDerWaalsContact O-N 3.08Å; C113-D116 VanDerWaalsContact SG-CG 3.51Å; C113-D116 PolarHBondContact SG-OD2 3.04Å; E114-D116 VanDerWaalsContact C-N 3.29Å; E114-D116 PolarHBondContact O-N 2.88Å; D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 2.98Å; D116-F119 PolarHBondContact O-N 3.25Å; D116-N120 WeakPolarHBondContact O-CA 3.34Å; D116-N120 VanDerWaalsContact O-CB 3.3Å; D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.44Å; D116-N120 PolarHBondContact O-ND2 2.9Å |
| 117 | L | 90.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 66.3 Ų | 66.3 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -33.1 | 174.8 | -74 | 141.5 | 0 | 0 | 0 | 112 | I7 L79 L105 V112 C113 E114 L115 F121 V124 | I7-L117 HydrophobicContact CD1-CD2 4.47Å; L79-L117 HydrophobicContact CD1-CD1 3.5Å; L79-L117 VanDerWaalsContact CD1-CD1 3.5Å; L105-L117 HydrophobicContact CD1-CD2 4.21Å; V112-L117 HydrophobicContact CG2-CD1 4.15Å; V112-L117 HydrophobicContact CG2-CG 4.35Å; C113-L117 PolarHBondContact O-N 3.37Å; E114-L117 WeakPolarHBondContact O-CB 3.27Å; E114-L117 PolarHBondContact O-N 3.17Å; L115-L117 VanDerWaalsContact C-N 3.33Å; L115-L117 PolarHBondContact O-N 3.21Å; L117-F121 WeakPolarHBondContact O-CA 3.15Å; L117-F121 PolarHBondContact O-N 3.33Å; L117-V124 HydrophobicContact CD2-CB 4.39Å; L117-V124 HydrophobicContact CD2-CG1 3.71Å; L117-V124 HydrophobicContact CD2-CG2 3.73Å; L117-V124 HydrophobicContact CG-CG2 4.37Å |
| 118 | V | 90.8 | Very high | 90.5 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -76.1 | -47.2 | 177.2 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | E114 L115 D116 | E114-V118 WeakPolarHBondContact O-CG2 3.43Å; E114-V118 PolarHBondContact O-N 2.84Å; E114-V118 VanDerWaalsContact O-N 3.15Å; L115-V118 WeakPolarHBondContact O-CB 3.43Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-V118 VanDerWaalsContact O-N 3.11Å; D116-V118 VanDerWaalsContact C-N 3.26Å; D116-V118 PolarHBondContact O-N 2.98Å |
| 119 | F | 90.4 | Very high | 90.7 | Very high | 137 Ų | 137 | 62 Ų | 62 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -73.8 | -37.1 | -177.3 | -81.8 | -70.5 | 0 | 0 | 0 | 112.8 | L115 D116 | L115-F119 HydrophobicContact CD1-CE2 4.15Å; L115-F119 HydrophobicContact CD2-CD2 3.67Å; L115-F119 HydrophobicContact CD2-CE2 3.42Å; L115-F119 VanDerWaalsContact CD2-CE2 3.42Å; L115-F119 HydrophobicContact CG-CD2 3.63Å; L115-F119 HydrophobicContact CG-CE2 3.49Å; L115-F119 VanDerWaalsContact CG-CE2 3.49Å; L115-F119 VanDerWaalsContact O-CD2 3.28Å; L115-F119 WeakPolarHBondContact O-CD2 3.39Å; L115-F119 PolarHBondContact O-N 3.47Å; D116-F119 PolarHBondContact O-N 3.25Å |
| 120 | N | 90.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 61.8 Ų | 61.8 | 20% | 0.198 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 37.1 | -177.4 | -58.9 | -74.3 | 0 | 0 | 0 | 112.2 | F109 D116 Y122 K123 V124 | F109-N120 HydrophobicContact CE1-CB 3.7Å; F109-N120 HydrophobicContact CZ-CB 3.9Å; D116-N120 WeakPolarHBondContact O-CA 3.34Å; D116-N120 VanDerWaalsContact O-CB 3.3Å; D116-N120 WeakPolarHBondContact O-CB 3.43Å; D116-N120 PolarHBondContact O-N 3.44Å; D116-N120 PolarHBondContact O-ND2 2.9Å; N120-Y122 PolarHBondContact O-N 3.3Å; N120-Y122 VanDerWaalsContact O-N 3.14Å; N120-K123 HydrophobicContact CB-CB 4.31Å; N120-K123 HydrophobicContact CB-CD 4.21Å; N120-K123 HydrophobicContact CB-CG 4.26Å; N120-K123 WeakPolarHBondContact O-CB 3.49Å; N120-K123 PolarHBondContact O-N 2.8Å; N120-V124 WeakPolarHBondContact O-CG2 3.41Å; N120-V124 PolarHBondContact O-N 3.36Å |
| 121 | F | 89.8 | Confident | 91.1 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.7 | -40.5 | -176 | 72.4 | -88.5 | 0 | 0 | 0 | 112.5 | L117 K123 V124 Y125 | L117-F121 WeakPolarHBondContact O-CA 3.15Å; L117-F121 PolarHBondContact O-N 3.33Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 2.99Å; F121-V124 WeakPolarHBondContact O-CB 3.36Å; F121-V124 PolarHBondContact O-N 2.75Å; F121-V124 VanDerWaalsContact O-N 3.14Å; F121-Y125 HydrophobicContact CD2-CD2 4.27Å; F121-Y125 HydrophobicContact CD2-CE2 4.25Å; F121-Y125 WeakPolarHBondContact O-CD2 3.46Å; F121-Y125 PolarHBondContact O-N 2.89Å |
| 122 | Y | 90.5 | Very high | 91.5 | Very high | 110 Ų | 110 | 48.2 Ų | 48.2 | 43% | 0.431 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 179.1 | 61.1 | -84 | 0 | 0 | 0 | 112.1 | N120 V124 Y125 T126 | N120-Y122 PolarHBondContact O-N 3.3Å; N120-Y122 VanDerWaalsContact O-N 3.14Å; Y122-V124 VanDerWaalsContact C-N 3.35Å; Y122-Y125 PolarHBondContact O-N 2.96Å; Y122-T126 PolarHBondContact O-N 3.07Å; Y122-T126 PolarHBondContact O-OG1 3.18Å |
| 123 | K | 91.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 50.5 Ų | 50.5 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 175.6 | -58.2 | -169.2 | 173.9 | -173.5 | 0 | 111.6 | Y108 F109 N120 F121 Y125 T126 V127 Q153 | Y108-K123 HydrophobicContact CE1-CB 4.2Å; Y108-K123 HydrophobicContact CE1-CD 4.09Å; F109-K123 HydrophobicContact CZ-CB 4.18Å; N120-K123 HydrophobicContact CB-CB 4.31Å; N120-K123 HydrophobicContact CB-CD 4.21Å; N120-K123 HydrophobicContact CB-CG 4.26Å; N120-K123 WeakPolarHBondContact O-CB 3.49Å; N120-K123 PolarHBondContact O-N 2.8Å; F121-K123 VanDerWaalsContact C-N 3.33Å; F121-K123 PolarHBondContact O-N 2.99Å; K123-Y125 VanDerWaalsContact C-N 3.31Å; K123-Y125 PolarHBondContact O-N 2.75Å; K123-T126 WeakPolarHBondContact O-CB 3.43Å; K123-T126 PolarHBondContact O-N 2.9Å; K123-T126 VanDerWaalsContact O-N 3.13Å; K123-V127 VanDerWaalsContact O-CG2 3.26Å; K123-V127 WeakPolarHBondContact O-CG2 3.32Å; K123-V127 PolarHBondContact O-N 2.91Å; K123-Q153 VanDerWaalsContact NZ-NE2 3.17Å |
| 124 | V | 92.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 178 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | L16 F101 L105 F109 L117 N120 F121 Y122 T126 V127 V128 | L16-V124 HydrophobicContact CD1-CB 4.22Å; L16-V124 HydrophobicContact CD1-CG1 3.45Å; L16-V124 VanDerWaalsContact CD1-CG1 3.45Å; F101-V124 HydrophobicContact CZ-CG1 4.36Å; L105-V124 HydrophobicContact CD2-CG1 4.28Å; F109-V124 HydrophobicContact CE2-CG2 4.13Å; F109-V124 HydrophobicContact CZ-CG2 4.15Å; L117-V124 HydrophobicContact CD2-CB 4.39Å; L117-V124 HydrophobicContact CD2-CG1 3.71Å; L117-V124 HydrophobicContact CD2-CG2 3.73Å; L117-V124 HydrophobicContact CG-CG2 4.37Å; N120-V124 WeakPolarHBondContact O-CG2 3.41Å; N120-V124 PolarHBondContact O-N 3.36Å; F121-V124 WeakPolarHBondContact O-CB 3.36Å; F121-V124 PolarHBondContact O-N 2.75Å; F121-V124 VanDerWaalsContact O-N 3.14Å; Y122-V124 VanDerWaalsContact C-N 3.35Å; V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 PolarHBondContact O-N 2.84Å; V124-V127 PolarHBondContact O-N 2.99Å; V124-V128 WeakPolarHBondContact O-CG2 3.15Å; V124-V128 PolarHBondContact O-N 2.89Å |
| 125 | Y | 92.9 | Very high | 91.8 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 172.9 | -81.2 | -78.7 | 0 | 0 | 0 | 112 | L16 A17 K18 F121 Y122 K123 V127 V128 D129 | L16-Y125 HydrophobicContact CD1-CD1 4.36Å; L16-Y125 HydrophobicContact CD1-CE1 4.3Å; L16-Y125 HydrophobicContact CD1-CE2 4.49Å; L16-Y125 HydrophobicContact CD1-CG 4.48Å; L16-Y125 HydrophobicContact CG-CE1 4.07Å; A17-Y125 PolarHBondContact N-OH 2.73Å; A17-Y125 PolarHBondContact O-OH 3.43Å; K18-Y125 HydrophobicContact CD-CD1 4.12Å; K18-Y125 HydrophobicContact CD-CE1 4.23Å; F121-Y125 HydrophobicContact CD2-CD2 4.27Å; F121-Y125 HydrophobicContact CD2-CE2 4.25Å; F121-Y125 WeakPolarHBondContact O-CD2 3.46Å; F121-Y125 PolarHBondContact O-N 2.89Å; Y122-Y125 PolarHBondContact O-N 2.96Å; K123-Y125 VanDerWaalsContact C-N 3.31Å; K123-Y125 PolarHBondContact O-N 2.75Å; Y125-V127 PolarHBondContact O-N 2.93Å; Y125-V128 PolarHBondContact O-N 3.08Å; Y125-D129 PolarHBondContact O-N 3.2Å |
| 126 | T | 92.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.8 | -51.4 | 0 | 0 | 0 | 0 | 112.3 | Y122 K123 V124 D129 E130 L149 L152 | Y122-T126 PolarHBondContact O-N 3.07Å; Y122-T126 PolarHBondContact O-OG1 3.18Å; K123-T126 WeakPolarHBondContact O-CB 3.43Å; K123-T126 PolarHBondContact O-N 2.9Å; K123-T126 VanDerWaalsContact O-N 3.13Å; V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 PolarHBondContact O-N 2.84Å; T126-D129 PolarHBondContact O-N 2.92Å; T126-E130 PolarHBondContact O-N 3.15Å; T126-E130 VanDerWaalsContact O-N 3.09Å; T126-L149 HydrophobicContact CG2-CD2 4.03Å; T126-L152 HydrophobicContact CG2-CD1 4.17Å |
| 127 | V | 93 | Very high | 92 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 175 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | F101 V104 L105 Y108 K123 V124 Y125 D129 E130 M131 L149 | F101-V127 HydrophobicContact CD2-CG1 4.23Å; F101-V127 HydrophobicContact CE2-CB 4.43Å; F101-V127 HydrophobicContact CE2-CG1 3.84Å; V104-V127 HydrophobicContact CG1-CG1 3.9Å; L105-V127 HydrophobicContact CD2-CB 4.27Å; L105-V127 HydrophobicContact CD2-CG1 4.03Å; L105-V127 HydrophobicContact CD2-CG2 4.22Å; L105-V127 HydrophobicContact CG-CG1 4.49Å; Y108-V127 HydrophobicContact CD1-CG2 4.36Å; K123-V127 VanDerWaalsContact O-CG2 3.26Å; K123-V127 WeakPolarHBondContact O-CG2 3.32Å; K123-V127 PolarHBondContact O-N 2.91Å; V124-V127 PolarHBondContact O-N 2.99Å; Y125-V127 PolarHBondContact O-N 2.93Å; V127-D129 VanDerWaalsContact C-N 3.34Å; V127-D129 PolarHBondContact O-N 3.1Å; V127-E130 PolarHBondContact O-N 3.23Å; V127-M131 HydrophobicContact CG1-SD 4.44Å; V127-M131 PolarHBondContact O-N 2.89Å; V127-M131 VanDerWaalsContact O-N 3.15Å; V127-L149 HydrophobicContact CB-CD1 4.46Å; V127-L149 HydrophobicContact CG1-CD1 4.38Å; V127-L149 HydrophobicContact CG2-CD1 3.71Å; V127-L149 HydrophobicContact CG2-CD2 3.98Å |
| 128 | V | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.1 | -45 | 176.6 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | I5 L16 K18 F101 V124 Y125 E130 M131 F132 | I5-V128 HydrophobicContact CD1-CG1 4.3Å; L16-V128 HydrophobicContact CD1-CG2 3.8Å; L16-V128 HydrophobicContact CD2-CG2 4.37Å; K18-V128 HydrophobicContact CB-CG1 4.46Å; K18-V128 HydrophobicContact CG-CG1 4.33Å; F101-V128 HydrophobicContact CE1-CG2 4.45Å; F101-V128 HydrophobicContact CE2-CB 4.47Å; F101-V128 HydrophobicContact CE2-CG2 3.49Å; F101-V128 VanDerWaalsContact CE2-CG2 3.49Å; F101-V128 HydrophobicContact CZ-CG2 3.41Å; F101-V128 VanDerWaalsContact CZ-CG2 3.41Å; V124-V128 WeakPolarHBondContact O-CG2 3.15Å; V124-V128 PolarHBondContact O-N 2.89Å; Y125-V128 PolarHBondContact O-N 3.08Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 3.5Å; V128-M131 PolarHBondContact O-N 3.09Å; V128-F132 HydrophobicContact CG1-CD2 4.32Å; V128-F132 WeakPolarHBondContact O-CA 3.45Å; V128-F132 PolarHBondContact O-N 2.98Å; V128-F132 VanDerWaalsContact O-O 3.05Å |
| 129 | D | 93.1 | Very high | 92.2 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -70.6 | -23.1 | -177.2 | -73 | -10.2 | 0 | 0 | 0 | 113.5 | K18 Y125 T126 V127 F132 R138 | K18-D129 WeakPolarHBondContact CE-OD1 3.26Å; K18-D129 VanDerWaalsContact NZ-CG 3.26Å; K18-D129 IonicContact NZ-OD1 2.66Å; K18-D129 PolarHBondContact NZ-OD1 3.23Å; K18-D129 IonicContact NZ-OD2 3Å; K18-D129 PolarHBondContact NZ-OD2 3.12Å; Y125-D129 PolarHBondContact O-N 3.2Å; T126-D129 PolarHBondContact O-N 2.92Å; V127-D129 VanDerWaalsContact C-N 3.34Å; V127-D129 PolarHBondContact O-N 3.1Å; D129-F132 WeakPolarHBondContact CA-O 3.47Å; D129-R138 PolarHBondContact O-NH1 3.46Å |
| 130 | E | 92.9 | Very high | 92.3 | Very high | 30 Ų | 30 | 53.1 Ų | 53.1 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.6 | -36.4 | 170.3 | -76.9 | -58 | 125.9 | 0 | 0 | 112.4 | T126 V127 V128 R138 V145 Q148 | T126-E130 PolarHBondContact O-N 3.15Å; T126-E130 VanDerWaalsContact O-N 3.09Å; V127-E130 PolarHBondContact O-N 3.23Å; V128-E130 VanDerWaalsContact C-N 3.29Å; V128-E130 PolarHBondContact O-N 3.5Å; E130-R138 IonicContact OE1-CZ 3.71Å; E130-R138 IonicContact OE1-NH1 2.95Å; E130-R138 PolarHBondContact OE1-NH1 2.69Å; E130-R138 IonicContact OE1-NH2 3.65Å; E130-R138 IonicContact OE2-CZ 3.84Å; E130-R138 IonicContact OE2-NH1 3.6Å; E130-R138 IonicContact OE2-NH2 3.77Å; E130-V145 HydrophobicContact CB-CG1 4.24Å; E130-Q148 HydrophobicContact CG-CG 4.49Å |
| 131 | M | 93.5 | Very high | 92.4 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -87.5 | -33 | -178.6 | -66.5 | -167.5 | 68.6 | 0 | 0 | 114 | N100 F101 V104 V127 V128 R138 V145 | N100-M131 HydrophobicContact CB-CE 4.21Å; N100-M131 WeakPolarHBondContact ND2-CE 3.42Å; F101-M131 HydrophobicContact CB-CE 4.11Å; F101-M131 HydrophobicContact CB-SD 4.12Å; F101-M131 HydrophobicContact CD2-SD 3.7Å; F101-M131 HydrophobicContact CG-SD 4.41Å; V104-M131 HydrophobicContact CB-SD 3.96Å; V104-M131 HydrophobicContact CG1-SD 4.14Å; V104-M131 HydrophobicContact CG2-CE 4.19Å; V104-M131 HydrophobicContact CG2-SD 3.88Å; V127-M131 HydrophobicContact CG1-SD 4.44Å; V127-M131 PolarHBondContact O-N 2.89Å; V127-M131 VanDerWaalsContact O-N 3.15Å; V128-M131 PolarHBondContact O-N 3.09Å; M131-R138 PolarHBondContact O-N 2.95Å; M131-V145 HydrophobicContact CG-CG1 4.06Å; M131-V145 HydrophobicContact CG-CG2 4.02Å |
| 132 | F | 94.3 | Very high | 92.5 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 1% | 0.013 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.3 | -175.3 | -55.2 | -79.7 | 0 | 0 | 0 | 109.4 | I2 I5 Y20 I83 A97 F101 V128 D129 E136 I137 | I2-F132 HydrophobicContact CD1-CD1 3.68Å; I2-F132 HydrophobicContact CD1-CE1 4.26Å; I2-F132 HydrophobicContact CD1-CG 4.5Å; I5-F132 HydrophobicContact CD1-CB 4.14Å; I5-F132 HydrophobicContact CD1-CD1 4.36Å; I5-F132 HydrophobicContact CD1-CD2 3.85Å; I5-F132 HydrophobicContact CD1-CE2 4.33Å; I5-F132 HydrophobicContact CD1-CG 3.86Å; Y20-F132 WeakPolarHBondContact OH-CB 3.22Å; Y20-F132 PolarHBondContact OH-O 3.35Å; I83-F132 HydrophobicContact CD1-CE1 4.36Å; I83-F132 HydrophobicContact CD1-CZ 4.27Å; A97-F132 HydrophobicContact CB-CE1 4.04Å; A97-F132 HydrophobicContact CB-CZ 4.15Å; F101-F132 HydrophobicContact CB-CE2 4.14Å; F101-F132 HydrophobicContact CB-CZ 4.42Å; F101-F132 HydrophobicContact CD2-CE2 4.13Å; F101-F132 HydrophobicContact CG-CE2 4.16Å; V128-F132 HydrophobicContact CG1-CD2 4.32Å; V128-F132 WeakPolarHBondContact O-CA 3.45Å; V128-F132 PolarHBondContact O-N 2.98Å; V128-F132 VanDerWaalsContact O-O 3.05Å; D129-F132 WeakPolarHBondContact CA-O 3.47Å; F132-E136 WeakPolarHBondContact CA-O 3.46Å; F132-I137 HydrophobicContact CD1-CG1 4.22Å; F132-I137 HydrophobicContact CE1-CG1 4.12Å |
| 133 | L | 93.1 | Very high | 92.6 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 45% | 0.445 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 140.1 | 179.8 | -167.2 | 70.2 | 0 | 0 | 0 | 110.4 | G135 E136 R138 | L133-G135 PolarHBondContact O-N 3.46Å; L133-E136 PolarHBondContact N-O 3.33Å; L133-E136 PolarHBondContact O-N 3.12Å; L133-R138 HydrophobicContact CB-CB 4.15Å; L133-R138 HydrophobicContact CB-CG 4.48Å |
| 134 | A | 91.2 | Very high | 92.6 | Very high | 86 Ų | 86 | 54.2 Ų | 54.2 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 30.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | E136 | A134-E136 VanDerWaalsContact C-N 3.35Š|
| 135 | G | 89.1 | Confident | 92.6 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 12.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I2 L133 | I2-G135 VanDerWaalsContact CB-O 3.3Å; I2-G135 WeakPolarHBondContact CB-O 3Å; I2-G135 WeakPolarHBondContact CG1-O 3.37Å; I2-G135 PolarHBondContact N-O 3.44Å; I2-G135 WeakPolarHBondContact O-CA 3.26Å; L133-G135 PolarHBondContact O-N 3.46Å |
| 136 | E | 91.9 | Very high | 92.5 | Very high | 91 Ų | 91 | 51.7 Ų | 51.7 | 43% | 0.425 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 161.8 | 178.6 | -64.6 | -61 | 153 | 0 | 0 | 111.1 | M1 F132 L133 A134 R138 | M1-E136 VanDerWaalsContact CA-OE1 3.22Å; M1-E136 WeakPolarHBondContact CA-OE1 3.48Å; M1-E136 WeakPolarHBondContact CB-OE1 3.36Å; F132-E136 WeakPolarHBondContact CA-O 3.46Å; L133-E136 PolarHBondContact N-O 3.33Å; L133-E136 PolarHBondContact O-N 3.12Å; A134-E136 VanDerWaalsContact C-N 3.35Å; E136-R138 PolarHBondContact O-N 2.86Å |
| 137 | I | 92.5 | Very high | 92.5 | Very high | 65 Ų | 65 | 56.5 Ų | 56.5 | 33% | 0.333 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 123.7 | 175.2 | -58.4 | 174.1 | 0 | 0 | 0 | 108.3 | Y94 A97 F132 T140 | Y94-I137 HydrophobicContact CD1-CD1 4.33Å; Y94-I137 HydrophobicContact CE1-CD1 4.2Å; Y94-I137 HydrophobicContact CE1-CG1 4.23Å; A97-I137 HydrophobicContact CB-CD1 3.94Å; F132-I137 HydrophobicContact CD1-CG1 4.22Å; F132-I137 HydrophobicContact CE1-CG1 4.12Å; I137-T140 HydrophobicContact CG2-CG2 3.69Å |
| 138 | R | 93.4 | Very high | 92.4 | Very high | 125 Ų | 125 | 59.9 Ų | 59.9 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | trans | -95 | -61.4 | -176.5 | 179.4 | 177.9 | 176.2 | -149.8 | -9.7 | 112 | D129 E130 M131 L133 E136 | D129-R138 PolarHBondContact O-NH1 3.46Å; E130-R138 IonicContact OE1-CZ 3.71Å; E130-R138 IonicContact OE1-NH1 2.95Å; E130-R138 PolarHBondContact OE1-NH1 2.69Å; E130-R138 IonicContact OE1-NH2 3.65Å; E130-R138 IonicContact OE2-CZ 3.84Å; E130-R138 IonicContact OE2-NH1 3.6Å; E130-R138 IonicContact OE2-NH2 3.77Å; M131-R138 PolarHBondContact O-N 2.95Å; L133-R138 HydrophobicContact CB-CB 4.15Å; L133-R138 HydrophobicContact CB-CG 4.48Å; E136-R138 PolarHBondContact O-N 2.86Å | ||
| 139 | E | 92.6 | Very high | 92.2 | Very high | 50 Ų | 50 | 60.1 Ų | 60.1 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | trans | -127 | 130.3 | -177.6 | -174.8 | 60.6 | -101.8 | 0 | 0 | 110 | S141 K144 V145 | E139-S141 WeakPolarHBondContact OE1-CB 3.49Å; E139-S141 PolarHBondContact OE1-N 3.03Å; E139-S141 VanDerWaalsContact OE1-N 3.16Å; E139-K144 HydrophobicContact CG-CB 4.25Å; E139-K144 VanDerWaalsContact OE2-CD 3.26Å; E139-K144 WeakPolarHBondContact OE2-CD 3.15Å; E139-K144 IonicContact OE2-NZ 3.62Å; E139-V145 HydrophobicContact CB-CG2 4Å; E139-V145 HydrophobicContact CG-CG2 3.63Å | ||
| 140 | T | 92.4 | Very high | 92 | Very high | 95 Ų | 95 | 63 Ų | 63 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | trans | -106.1 | -19 | -178.2 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | N100 I137 Q142 | N100-T140 PolarHBondContact ND2-O 3.33Å; I137-T140 HydrophobicContact CG2-CG2 3.69Å; T140-Q142 PolarHBondContact O-N 2.94Å | ||
| 141 | S | 93.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | trans | -79.7 | 110.6 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 111.8 | E139 T143 K144 V145 | E139-S141 WeakPolarHBondContact OE1-CB 3.49Å; E139-S141 PolarHBondContact OE1-N 3.03Å; E139-S141 VanDerWaalsContact OE1-N 3.16Å; S141-T143 VanDerWaalsContact C-N 3.28Å; S141-T143 PolarHBondContact O-N 3.48Å; S141-K144 PolarHBondContact O-N 3.27Å; S141-K144 VanDerWaalsContact O-N 3.13Å; S141-V145 WeakPolarHBondContact O-CG2 3.1Å; S141-V145 PolarHBondContact O-N 2.91Å; S141-V145 VanDerWaalsContact O-N 3.12Å | ||
| 142 | Q | 91.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 69.6 Ų | 69.6 | 23% | 0.234 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -53 | -45.7 | 177.2 | -57.7 | -179.1 | 7.4 | 0 | 0 | 112 | N100 E103 V104 T140 K144 V145 L146 | N100-Q142 WeakPolarHBondContact OD1-CG 3.46Å; N100-Q142 PolarHBondContact OD1-NE2 3.29Å; E103-Q142 PolarHBondContact OE2-NE2 3.4Å; V104-Q142 HydrophobicContact CG2-CB 3.93Å; V104-Q142 HydrophobicContact CG2-CG 3.78Å; T140-Q142 PolarHBondContact O-N 2.94Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 3.1Å; Q142-V145 PolarHBondContact O-N 3.08Å; Q142-L146 WeakPolarHBondContact O-CB 3.43Å; Q142-L146 WeakPolarHBondContact O-CG 3.3Å; Q142-L146 PolarHBondContact O-N 3.5Å |
| 143 | T | 91.9 | Very high | 91 | Very high | 110 Ų | 110 | 72.8 Ų | 72.8 | 68% | 0.675 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.5 | -38.6 | -178.9 | -40.9 | 0 | 0 | 0 | 0 | 112.5 | S141 K147 | S141-T143 VanDerWaalsContact C-N 3.28Å; S141-T143 PolarHBondContact O-N 3.48Å; T143-K147 VanDerWaalsContact O-CB 3.26Å; T143-K147 WeakPolarHBondContact O-CB 3.37Å; T143-K147 PolarHBondContact O-N 2.91Å |
| 144 | K | 92.9 | Very high | 90.6 | Very high | 124 Ų | 124 | 73 Ų | 73 | 54% | 0.539 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -71 | -44.3 | 177.6 | -72.4 | -175.8 | -178.8 | 175 | 0 | 111.6 | E139 S141 Q142 K147 Q148 | E139-K144 HydrophobicContact CG-CB 4.25Å; E139-K144 VanDerWaalsContact OE2-CD 3.26Å; E139-K144 WeakPolarHBondContact OE2-CD 3.15Å; E139-K144 IonicContact OE2-NZ 3.62Å; S141-K144 PolarHBondContact O-N 3.27Å; S141-K144 VanDerWaalsContact O-N 3.13Å; Q142-K144 VanDerWaalsContact C-N 3.3Å; Q142-K144 PolarHBondContact O-N 3.1Å; K144-K147 PolarHBondContact O-N 2.99Å; K144-Q148 WeakPolarHBondContact O-CB 3.37Å; K144-Q148 PolarHBondContact O-N 3.34Å |
| 145 | V | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.006 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 178.4 | 178 | 0 | 0 | 0 | 0 | 109.8 | V104 E130 M131 E139 S141 Q142 K147 Q148 L149 | V104-V145 HydrophobicContact CG1-CB 4.39Å; V104-V145 HydrophobicContact CG1-CG1 3.73Å; E130-V145 HydrophobicContact CB-CG1 4.24Å; M131-V145 HydrophobicContact CG-CG1 4.06Å; M131-V145 HydrophobicContact CG-CG2 4.02Å; E139-V145 HydrophobicContact CB-CG2 4Å; E139-V145 HydrophobicContact CG-CG2 3.63Å; S141-V145 WeakPolarHBondContact O-CG2 3.1Å; S141-V145 PolarHBondContact O-N 2.91Å; S141-V145 VanDerWaalsContact O-N 3.12Å; Q142-V145 PolarHBondContact O-N 3.08Å; V145-K147 PolarHBondContact O-N 3.44Å; V145-Q148 PolarHBondContact O-N 3.08Å; V145-L149 HydrophobicContact CG1-CD1 3.85Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.02Å |
| 146 | L | 91.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 84.5 Ų | 84.5 | 9% | 0.089 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.1 | -70 | 166.3 | 0 | 0 | 0 | 112.6 | V104 E107 Y108 Q142 Q148 L149 L150 | V104-L146 HydrophobicContact CG1-CD2 4.29Å; E107-L146 HydrophobicContact CB-CD1 3.94Å; E107-L146 HydrophobicContact CB-CD2 4.24Å; E107-L146 HydrophobicContact CG-CD1 3.61Å; E107-L146 HydrophobicContact CG-CD2 4.39Å; E107-L146 WeakPolarHBondContact OE2-CD1 3.32Å; Y108-L146 HydrophobicContact CD2-CD2 4.39Å; Q142-L146 WeakPolarHBondContact O-CB 3.43Å; Q142-L146 WeakPolarHBondContact O-CG 3.3Å; Q142-L146 PolarHBondContact O-N 3.5Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.12Å; L146-L149 PolarHBondContact O-N 2.71Å; L146-L150 WeakPolarHBondContact O-CB 3.39Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å |
| 147 | K | 92.6 | Very high | 88.9 | Confident | 160 Ų | 160 | 84.2 Ų | 84.2 | 70% | 0.696 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 176.1 | -176.4 | 179.1 | 179.3 | -178.6 | 0 | 111.7 | T143 K144 V145 M151 | T143-K147 VanDerWaalsContact O-CB 3.26Å; T143-K147 WeakPolarHBondContact O-CB 3.37Å; T143-K147 PolarHBondContact O-N 2.91Å; K144-K147 PolarHBondContact O-N 2.99Å; V145-K147 PolarHBondContact O-N 3.44Å; K147-M151 WeakPolarHBondContact O-CB 3.37Å; K147-M151 PolarHBondContact O-N 3.45Å |
| 148 | Q | 91 | Very high | 88.8 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 34% | 0.336 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 178.5 | -174.6 | 65.2 | 6.2 | 0 | 0 | 111.3 | E130 K144 V145 L146 L150 M151 L152 | E130-Q148 HydrophobicContact CG-CG 4.49Å; K144-Q148 WeakPolarHBondContact O-CB 3.37Å; K144-Q148 PolarHBondContact O-N 3.34Å; V145-Q148 PolarHBondContact O-N 3.08Å; L146-Q148 VanDerWaalsContact C-N 3.32Å; L146-Q148 PolarHBondContact O-N 3.12Å; Q148-L150 PolarHBondContact O-N 2.95Å; Q148-M151 PolarHBondContact O-N 2.84Å; Q148-L152 HydrophobicContact CG-CD1 4.28Å; Q148-L152 WeakPolarHBondContact O-CG 3.26Å; Q148-L152 PolarHBondContact O-N 3.42Å |
| 149 | L | 89.3 | Confident | 88.5 | Confident | 5 Ų | 5 | 83 Ų | 83 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.8 | -69.3 | 170.6 | 0 | 0 | 0 | 111.9 | V104 Y108 T126 V127 V145 L146 M151 L152 Q153 | V104-L149 HydrophobicContact CG1-CD1 4.42Å; Y108-L149 HydrophobicContact CD2-CB 4.11Å; Y108-L149 HydrophobicContact CD2-CD1 3.97Å; Y108-L149 HydrophobicContact CE2-CB 3.82Å; Y108-L149 HydrophobicContact CE2-CD1 4.32Å; Y108-L149 HydrophobicContact CG-CD1 4.27Å; T126-L149 HydrophobicContact CG2-CD2 4.03Å; V127-L149 HydrophobicContact CB-CD1 4.46Å; V127-L149 HydrophobicContact CG1-CD1 4.38Å; V127-L149 HydrophobicContact CG2-CD1 3.71Å; V127-L149 HydrophobicContact CG2-CD2 3.98Å; V145-L149 HydrophobicContact CG1-CD1 3.85Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 VanDerWaalsContact O-CG 3.25Å; V145-L149 WeakPolarHBondContact O-CG 3.47Å; V145-L149 PolarHBondContact O-N 3.02Å; L146-L149 PolarHBondContact O-N 2.71Å; L149-M151 VanDerWaalsContact C-N 3.34Å; L149-M151 PolarHBondContact O-N 3.4Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-Q153 WeakPolarHBondContact O-CB 3.45Å; L149-Q153 PolarHBondContact O-N 3.05Å |
| 150 | L | 88.4 | Confident | 88.3 | Confident | 110 Ų | 110 | 84.9 Ų | 84.9 | 58% | 0.576 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -64.2 | -38.7 | 176.8 | -70.4 | 172 | 0 | 0 | 0 | 112.3 | L146 Q148 Q153 S154 | L146-L150 WeakPolarHBondContact O-CB 3.39Å; L146-L150 VanDerWaalsContact O-CG 3.28Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å; Q148-L150 PolarHBondContact O-N 2.95Å; L150-Q153 PolarHBondContact O-N 3.12Å; L150-S154 PolarHBondContact O-N 3.5Å |
| 151 | M | 90.2 | Very high | 88 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 54% | 0.537 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.2 | -178.3 | -179.4 | 175.2 | 0 | 0 | 111.2 | K147 Q148 L149 Q153 S154 L155 | K147-M151 WeakPolarHBondContact O-CB 3.37Å; K147-M151 PolarHBondContact O-N 3.45Å; Q148-M151 PolarHBondContact O-N 2.84Å; L149-M151 VanDerWaalsContact C-N 3.34Å; L149-M151 PolarHBondContact O-N 3.4Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 PolarHBondContact O-N 2.95Å; M151-S154 PolarHBondContact O-N 3.47Å; M151-S154 VanDerWaalsContact O-N 3.15Å; M151-S154 PolarHBondContact O-OG 3.08Å; M151-L155 PolarHBondContact O-N 3.04Å |
| 152 | L | 86.7 | Confident | 87.7 | Confident | 61 Ų | 61 | 87.2 Ų | 87.2 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 177.3 | -71.8 | 170.1 | 0 | 0 | 0 | 111.5 | T126 Q148 L149 S154 L155 E156 | T126-L152 HydrophobicContact CG2-CD1 4.17Å; Q148-L152 HydrophobicContact CG-CD1 4.28Å; Q148-L152 WeakPolarHBondContact O-CG 3.26Å; Q148-L152 PolarHBondContact O-N 3.42Å; L149-L152 PolarHBondContact O-N 3.23Å; L152-S154 PolarHBondContact O-N 3.44Å; L152-L155 PolarHBondContact O-N 2.94Å; L152-L155 VanDerWaalsContact O-N 3.08Å; L152-E156 PolarHBondContact O-N 2.92Å |
| 153 | Q | 83.1 | Confident | 87.4 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 33% | 0.332 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67 | -19.7 | 179.8 | -147.7 | 176.4 | -18.3 | 0 | 0 | 113.7 | Y108 K123 L149 L150 M151 | Y108-Q153 VanDerWaalsContact OH-CD 3.31Å; Y108-Q153 PolarHBondContact OH-OE1 3.28Å; K123-Q153 VanDerWaalsContact NZ-NE2 3.17Å; L149-Q153 WeakPolarHBondContact O-CB 3.45Å; L149-Q153 PolarHBondContact O-N 3.05Å; L150-Q153 PolarHBondContact O-N 3.12Å; M151-Q153 VanDerWaalsContact C-N 3.3Å; M151-Q153 PolarHBondContact O-N 2.95Å |
| 154 | S | 85.9 | Confident | 87 | Confident | 89 Ų | 89 | 88.3 Ų | 88.3 | 62% | 0.622 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -84.5 | -15.2 | 175 | 73.4 | 0 | 0 | 0 | 0 | 114 | L150 M151 L152 | L150-S154 PolarHBondContact O-N 3.5Å; M151-S154 PolarHBondContact O-N 3.47Å; M151-S154 VanDerWaalsContact O-N 3.15Å; M151-S154 PolarHBondContact O-OG 3.08Å; L152-S154 PolarHBondContact O-N 3.44Å |
| 155 | L | 83.5 | Confident | 86.5 | Confident | 132 Ų | 132 | 85.3 Ų | 85.3 | 69% | 0.691 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -93 | -16.2 | 178.6 | -65.3 | 169.5 | 0 | 0 | 0 | 112.2 | M151 L152 | M151-L155 PolarHBondContact O-N 3.04Å; L152-L155 PolarHBondContact O-N 2.94Å; L152-L155 VanDerWaalsContact O-N 3.08Å |
| 156 | E | 64.1 | Low | 86 | Confident | 197 Ų | 197 | 93 Ų | 93 | 92% | 0.921 | 47% | 0.468 | S | S | * | . | trans | -81.1 | 0 | 169.6 | -64.9 | -176 | 133.6 | 0 | 0 | 111.4 | L152 | L152-E156 PolarHBondContact O-N 2.92Š|
Retrieved 156 of 156 residues in 117.6 ms
(Link to these results)